A0A087WY68_HUMAN Loading...

Proprotein convertase subtilisin/kexin type 6

AlphaFold DB , UniProt , Accession A0A087WY68, Species HUMAN (Homo sapiens, Human), Gene PCSK6, Length 975 aa.

						>A0A087WY68_HUMAN|A0A087WY68|PCSK6
MPPRAPPAPGPRPPPRAAAATDTAAGAGGAGGAGGAGGPGFRPLAPRPWRWLLLLALPAACSAPPPRPVYTNHWAVQVLGGPAEADRVAAAHGYLNLGQIGNLEDYYHFYHSKTFKRSTLSSRGPHTFLRMDPQVKWLQQQEVKRRVKRQVRSDPQALYFNDPIWSNMWYLHCGDKNSRCRSEMNVQAAWKRGYTGKNVVVTILDDGIERNHPDLAPNYDSYASYDVNGNDYDPSPRYDASNENKHGTRCAGEVAASANNSYCIVGIAYNAKIGGIRMLDGDVTDVVEAKSLGIRPNYIDIYSASWGPDDDGKTVDGPGRLAKQAFEYGIKKGRQGLGSIFVWASGNGGREGDYCSCDGYTNSIYTISVSSATENGYKPWYLEECASTLATTYSSGAFYERKIVTTDLRQRCTDGHTGTSVSAPMVAGIIALALEANSQLTWRDVQHLLVKTSRPAHLKASDWKVNGAGHKVSHFYGFGLVDAEALVVEAKKWTAVPSQHMCVAASDKRPRSIPLVQVLRTTALTSACAEHSDQRVVYLEHVVVRTSISHPRRGDLQIYLVSPSGTKSQLLAKRLLDLSNEGFTNWEFMTVHCWGEKAEGQWTLEIQDLPSQVRNPEKQGKLKEWSLILYGTAEHPYHTFSAHQSRSRMLELSAPELEPPKAALSPSQVEVPEDEEDYTAQSTPGSANILQTSVCHPECGDKGCDGPNADQCLNCVHFSLGSVKTSRKCVSVCPLGYFGDTAARRCRRCHKGCETCSSRAATQCLSCRRGFYHHQEMNTCVTLCPAGFYADESQKNCLKCHPSCKKCVDEPEKCTVCKEGFSLARGSCIPDCEPGTYFDSELIRCGECHHTCGTCVGPGREECIHCAKNFHFHDWKCVPACGEGFYPEEMPGLPHKVCRRYGPPGGERQAAVSSKGVPGGQSLAASSPGAGEGMLHHPTVDRSPFTELLRGLRPFVHWMHICWVPAVGRHRAAAG
					

Structure Viewer

Loading PAE data...

(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	34.3	Very low	40.7	Very low	245 Å²	245	134.9 Å²	134.9	100%	1.207	84%	0.835	S	S	*	*				0	131.2	0	-67.9	171.1	171.6	0	0	108.6
2	P	42	Very low	40	Very low	111 Å²	111	143.5 Å²	143.5	72%	0.721	84%	0.841	S	S	*	*			trans	-125.8	150.1	173	38.5	-26.6	0	0	0	114.3
3	P	44.9	Very low	40.2	Very low	131 Å²	131	141.4 Å²	141.4	85%	0.851	83%	0.834	S	S	*	*			trans	-97.4	95.2	153.9	32.4	-22.6	0	0	0	108.8
4	R	37.1	Very low	41.3	Very low	242 Å²	242	139.6 Å²	139.6	91%	0.913	83%	0.828	S	S	*	*				59.7	115.9	88.6	-79.8	-167.3	165	-165.5	-3.9	115
5	A	40.1	Very low	42.2	Very low	94 Å²	94	137.9 Å²	137.9	78%	0.777	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-102.9	164.9	173.8	0	0	0	0	0	112.1
6	P	43.5	Very low	41.3	Very low	125 Å²	125	143.9 Å²	143.9	81%	0.812	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-88.4	145.3	167	34.7	-32.3	0	0	0	112.4
7	P	49.8	Very low	40.6	Very low	127 Å²	127	141.6 Å²	141.6	83%	0.825	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-100.9	169	178.3	38.9	-35.1	0	0	0	114.1
8	A	36.1	Very low	39.9	Very low	95 Å²	95	139 Å²	139	79%	0.785	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-98.4	155.5	164.7	0	0	0	0	0	111.5
9	P	42.8	Very low	39.2	Very low	129 Å²	129	136.7 Å²	136.7	84%	0.838	82%	0.824	S	S	*	*				-146.2	172.6	114.3	37.1	-21.2	0	0	0	115
10	G	32.5	Very low	38.8	Very low	68 Å²	68	134.2 Å²	134.2	70%	0.701	82%	0.819	S	S	*	*			trans	-97.6	-147.4	167.1	0	0	0	0	0	112.4
11	P	45.2	Very low	38.3	Very low	117 Å²	117	134.2 Å²	134.2	76%	0.76	82%	0.819	S	S	*	*			cis	-143	167.6	-4.4	42.9	-25.6	0	0	0	117.3
12	R	31.5	Very low	38.1	Very low	238 Å²	238	129.1 Å²	129.1	90%	0.898	80%	0.797	S	S	*	*			trans	63.3	172.9	160.3	-70.4	-178.9	-177.8	-169.6	2.1	117.6
13	P	43.2	Very low	37.6	Very low	116 Å²	116	130 Å²	130	75%	0.753	80%	0.8	S	S	*	*			cis	-123.8	-164.7	-46.7	39.3	-21.7	0	0	0	111.3
14	P	55.4	Low	36.9	Very low	116 Å²	116	128 Å²	128	75%	0.753	80%	0.795	S	S	*	*			trans	-104.7	-159.8	-170.7	46.1	-38.2	0	0	0	112.3
15	P	55.3	Low	36.6	Very low	114 Å²	114	121.8 Å²	121.8	74%	0.74	80%	0.795	S	S	*	*			cis	-138.8	-162.4	-2.6	38.2	-15.3	0	0	0	115.6
16	R	26.7	Very low	36.1	Very low	234 Å²	234	120.6 Å²	120.6	88%	0.883	79%	0.792	S	S	*	*			trans	98.3	104.6	162	-69.7	-177.4	165.9	180	-4.6	120.5
17	A	30.8	Very low	35.5	Very low	105 Å²	105	120 Å²	120	87%	0.868	80%	0.798	S	S	*	*				24.8	123.7	126.3	0	0	0	0	0	122.2
18	A	27.1	Very low	34.5	Very low	95 Å²	95	117.9 Å²	117.9	79%	0.785	80%	0.799	S	S	*	*			trans	-144.4	134.7	143.6	0	0	0	0	0	107.5
19	A	27.5	Very low	34.2	Very low	95 Å²	95	116.8 Å²	116.8	79%	0.785	80%	0.796	S	S	*	*				54	106.5	103.4	0	0	0	0	0	113.8
20	A	29.5	Very low	33.6	Very low	87 Å²	87	116.1 Å²	116.1	72%	0.719	80%	0.802	S	S	*	*				91.8	170	67.9	0	0	0	0	0	112.4
21	T	28.9	Very low	33.5	Very low	134 Å²	134	116.5 Å²	116.5	82%	0.822	81%	0.806	S	S	*	*			trans	75.5	142	-167.6	71.4	0	0	0	0	115.5
22	D	30.8	Very low	32.8	Very low	139 Å²	139	114.9 Å²	114.9	74%	0.743	81%	0.811	S	S	*	*			cis	-164.7	-171.5	-32.7	-133.4	-61.6	0	0	0	111.1
23	T	30.3	Very low	32.8	Very low	130 Å²	130	108.5 Å²	108.5	80%	0.798	81%	0.809	S	S	*	*			trans	80.3	139.3	167.5	72.2	0	0	0	0	117.3
24	A	30.4	Very low	32.1	Very low	89 Å²	89	107 Å²	107	74%	0.736	81%	0.814	S	S	*	*			cis	-160.5	160.2	-13.6	0	0	0	0	0	113.3
25	A	32.2	Very low	30.8	Very low	110 Å²	110	105.3 Å²	105.3	91%	0.909	82%	0.818	S	S	*	*			trans	65.2	143.2	162	0	0	0	0	0	119.2
26	G	29.2	Very low	29.7	Very low	70 Å²	70	105.1 Å²	105.1	72%	0.722	83%	0.826	S	S	*	*			cis	177.8	159.4	-6.4	0	0	0	0	0	113.7
27	A	31.3	Very low	29.8	Very low	112 Å²	112	97.7 Å²	97.7	93%	0.926	82%	0.823	S	S	*	*			trans	61.4	144.4	-174.8	0	0	0	0	0	115.9
28	G	28.8	Very low	29.7	Very low	82 Å²	82	96.3 Å²	96.3	85%	0.845	82%	0.819	S	S	*	*			cis	126.5	124.4	0.3	0	0	0	0	0	111.2
29	G	29.3	Very low	30.7	Very low	72 Å²	72	98.4 Å²	98.4	74%	0.742	82%	0.824	S	S	*	*			cis	-179.7	176.4	-4.8	0	0	0	0	0	112
30	A	30.9	Very low	30.8	Very low	116 Å²	116	97 Å²	97	96%	0.959	82%	0.818	S	S	*	*			trans	63.5	140.4	178.1	0	0	0	0	0	117.9
31	G	29.7	Very low	30.8	Very low	76 Å²	76	103.2 Å²	103.2	78%	0.784	83%	0.829	S	S	*	*			cis	170.7	148.9	-12.6	0	0	0	0	0	114.7
32	G	30	Very low	30.8	Very low	83 Å²	83	107.9 Å²	107.9	86%	0.856	83%	0.832	S	S	*	*			trans	70.6	152.3	157.4	0	0	0	0	0	119.5
33	A	30.8	Very low	31.5	Very low	104 Å²	104	106.5 Å²	106.5	86%	0.86	83%	0.83	S	S	*	*			cis	-164.6	161.2	-13.2	0	0	0	0	0	111
34	G	28.8	Very low	31.5	Very low	83 Å²	83	108.1 Å²	108.1	86%	0.856	83%	0.834	S	S	*	*			trans	81.8	147.3	176.7	0	0	0	0	0	114.3
35	G	29.5	Very low	31.7	Very low	82 Å²	82	108.1 Å²	108.1	85%	0.845	83%	0.833	S	S	*	*			cis	107.4	134.4	9.8	0	0	0	0	0	111.3
36	A	30.8	Very low	31.9	Very low	109 Å²	109	109 Å²	109	90%	0.901	83%	0.83	S	S	*	*			cis	-162.1	174.6	-4.9	0	0	0	0	0	110.1
37	G	30.1	Very low	32.1	Very low	79 Å²	79	116 Å²	116	81%	0.814	84%	0.835	S	S	*	*			trans	97.1	125.8	157.3	0	0	0	0	0	118.4
38	G	27.7	Very low	32.7	Very low	76 Å²	76	115.8 Å²	115.8	78%	0.784	82%	0.823	S	S	*	*			trans	-93.2	-152.1	142	0	0	0	0	0	109.3
39	P	48.6	Very low	32.7	Very low	139 Å²	139	122.9 Å²	122.9	90%	0.903	83%	0.825	S	S	*	*			cis	-129.2	-166.3	2.7	42.5	-26.5	0	0	0	112.7
40	G	29.9	Very low	32.8	Very low	64 Å²	64	130.3 Å²	130.3	66%	0.66	83%	0.83	S	S	*	*			trans	149.2	86.5	153.2	0	0	0	0	0	119.8
41	F	29.7	Very low	33.1	Very low	218 Å²	218	135.5 Å²	135.5	96%	0.956	83%	0.825	S	S	*	*			trans	54.7	163.1	144.6	-75.3	-87	0	0	0	123.5
42	R	28.9	Very low	33.4	Very low	233 Å²	233	139.8 Å²	139.8	88%	0.879	83%	0.83	S	S	*	*			trans	-106.5	-173.2	179.6	-53.6	174	167.7	176.9	-4.9	108.4
43	P	44.3	Very low	33.7	Very low	109 Å²	109	144.4 Å²	144.4	71%	0.708	83%	0.834	S	S	*	*			cis	-144.7	-173	4.4	43.2	-22.5	0	0	0	117.6
44	L	30.2	Very low	34	Very low	165 Å²	165	146.9 Å²	146.9	86%	0.864	83%	0.832	S	S	*	*			trans	72.1	109.5	150.2	-78.3	159.9	0	0	0	121.7
45	A	35	Very low	34.3	Very low	88 Å²	88	150.1 Å²	150.1	73%	0.727	83%	0.828	S	S	*	*			trans	-38.4	161.7	161.4	0	0	0	0	0	117.4
46	P	35.9	Very low	34.6	Very low	129 Å²	129	151.3 Å²	151.3	84%	0.838	83%	0.831	S	S	*	*				-129.5	161.2	81.4	38	-29.9	0	0	0	116.3
47	R	34.5	Very low	34.9	Very low	218 Å²	218	152.9 Å²	152.9	82%	0.823	82%	0.823	S	S	*	*			trans	-79.4	158	165.1	-92.6	177.1	171.3	-178.4	-4	109.4
48	P	42.3	Very low	35.5	Very low	106 Å²	106	154.9 Å²	154.9	69%	0.688	82%	0.822	S	S	*	*			cis	-149.3	156.5	46	41.3	-22.2	0	0	0	118.9
49	W	30.1	Very low	35.9	Very low	231 Å²	231	156 Å²	156	88%	0.875	82%	0.823	S	S	*	*				-179.4	165.8	117.6	-96.6	-7.8	0	0	0	113.2
50	R	31.6	Very low	35.4	Very low	228 Å²	228	153.8 Å²	153.8	86%	0.86	82%	0.817	S	S	*	*			trans	54.1	87.5	164	-68.6	171	-173.6	-118.2	-2.6	117.4
51	W	36.8	Very low	35.6	Very low	225 Å²	225	157.3 Å²	157.3	85%	0.852	83%	0.83	S	S	*	*			trans	-61	135.4	140.4	-66.5	84	0	0	0	109.6
52	L	36.9	Very low	36.1	Very low	167 Å²	167	152.2 Å²	152.2	87%	0.874	82%	0.821	S	S	*	*			trans	163.9	89.7	143.1	-93.8	163.6	0	0	0	110.3
53	L	35	Very low	36.8	Very low	179 Å²	179	145.2 Å²	145.2	94%	0.937	81%	0.813	S	S	*	*			trans	-178	99.4	151.3	-105.7	161.5	0	0	0	109.6
54	L	37.1	Very low	36.8	Very low	157 Å²	157	145.4 Å²	145.4	82%	0.822	82%	0.815	S	S	*	*			trans	-151.9	153.7	168.7	-106.3	172.5	0	0	0	108
55	L	35.9	Very low	38	Very low	150 Å²	150	143 Å²	143	79%	0.785	81%	0.809	S	S	*	*			trans	67	84.1	179.1	-54.8	172.9	0	0	0	115.7
56	A	35.1	Very low	39.2	Very low	108 Å²	108	144.7 Å²	144.7	89%	0.893	81%	0.813	S	S	*	*			trans	-95.8	108.6	147.2	0	0	0	0	0	108.3
57	L	36.8	Very low	40.8	Very low	141 Å²	141	148 Å²	148	74%	0.738	81%	0.808	S	S	*	*			trans	-120.1	149.3	167.5	-83.9	166.5	0	0	0	107.8	A59	L57-A59 PolarHBondContact O-N 3.43Å
58	P	42.2	Very low	42.6	Very low	122 Å²	122	140.3 Å²	140.3	79%	0.792	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-64.8	124.6	-176.5	26.4	-33.8	0	0	0	110.7	A60	P58-A60 PolarHBondContact O-N 3.13Å
59	A	36.3	Very low	44.4	Very low	98 Å²	98	137.5 Å²	137.5	81%	0.81	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-69.8	126.7	177.3	0	0	0	0	0	110.4	L57	L57-A59 PolarHBondContact O-N 3.43Å
60	A	39	Very low	47	Very low	93 Å²	93	128.2 Å²	128.2	77%	0.769	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-64.1	144	168.5	0	0	0	0	0	110.3	P58 S62	P58-A60 PolarHBondContact O-N 3.13Å; A60-S62 VanDerWaalsContact C-N 3.34Å; A60-S62 PolarHBondContact O-N 3.22Å
61	C	35	Very low	49.5	Very low	138 Å²	138	118.5 Å²	118.5	93%	0.932	70%	0.698	S	S	*	*			trans	-67.1	86.7	178.2	-66.1	0	0	0	0	111.5	A63	C61-A63 PolarHBondContact O-N 2.79Å
62	S	39.6	Very low	51.8	Low	111 Å²	111	108 Å²	108	78%	0.776	66%	0.659	S	S	*	*			trans	-64.8	114.3	170.1	58.6	0	0	0	0	109.8	A60	A60-S62 VanDerWaalsContact C-N 3.34Å; A60-S62 PolarHBondContact O-N 3.22Å
63	A	42.5	Very low	54.2	Low	87 Å²	87	102.5 Å²	102.5	72%	0.719	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-55.7	140.5	171.6	0	0	0	0	0	110.3	C61	C61-A63 PolarHBondContact O-N 2.79Å
64	P	44.6	Very low	56.8	Low	113 Å²	113	94.4 Å²	94.4	73%	0.734	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-62.2	146.7	-177.5	25.9	-34.6	0	0	0	111
65	P	55.3	Low	59.4	Low	114 Å²	114	87.3 Å²	87.3	74%	0.74	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-59.3	142	179.3	24.9	-34.1	0	0	0	110.8	R67	P65-R67 PolarHBondContact O-N 2.96Å
66	P	60.3	Low	62	Low	124 Å²	124	80.2 Å²	80.2	81%	0.805	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-60.9	129.3	-177.5	24.7	-33.9	0	0	0	110.6
67	R	69.1	Low	64.8	Low	199 Å²	199	77.1 Å²	77.1	75%	0.751	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-60.3	140.2	-178.7	-64.8	-177.7	-179.5	178.8	1	110.5	P65 V69	P65-R67 PolarHBondContact O-N 2.96Å; R67-V69 PolarHBondContact O-N 2.96Å
68	P	72.5	Confident	67.4	Low	56 Å²	56	70.4 Å²	70.4	36%	0.364	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-61.2	138	176.6	25.2	-33.4	0	0	0	110.8	Y70 E142	P68-Y70 HydrophobicContact CB-CE2 4.06Å; P68-Y70 HydrophobicContact CG-CE2 3.84Å; P68-Y70 WeakPolarHBondContact CG-OH 3.4Å; P68-E142 HydrophobicContact CB-CG 4.34Å
69	V	81.4	Confident	69.5	Low	47 Å²	47	67.6 Å²	67.6	29%	0.285	42%	0.423	S	S	.	.			trans	-103.5	110.4	175.1	179.8	0	0	0	0	108.5	R67 R117 S118 E142 V143	R67-V69 PolarHBondContact O-N 2.96Å; V69-R117 HydrophobicContact CG1-CB 3.92Å; V69-R117 HydrophobicContact CG1-CG 4.1Å; V69-S118 CarbonylContact C-O 3.46Å; V69-S118 WeakPolarHBondContact CA-O 3.12Å; V69-E142 CarbonylContact O-C 3.58Å; V69-E142 WeakPolarHBondContact O-CA 3.39Å; V69-V143 HydrophobicContact CB-CB 4.25Å; V69-V143 HydrophobicContact CB-CG2 4.23Å; V69-V143 HydrophobicContact CG1-CG2 4.11Å; V69-V143 PolarHBondContact O-N 2.84Å
70	Y	83.7	Confident	71.7	Confident	36 Å²	36	65.9 Å²	65.9	14%	0.141	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	147.6	175.7	-63.2	-81.7	0	0	0	110.9	P68 R117 S118 L120 S121 Q140 E142	P68-Y70 HydrophobicContact CB-CE2 4.06Å; P68-Y70 HydrophobicContact CG-CE2 3.84Å; P68-Y70 WeakPolarHBondContact CG-OH 3.4Å; Y70-R117 CarbonylContact O-C 3.59Å; Y70-R117 WeakPolarHBondContact O-CA 3.29Å; Y70-S118 PolarHBondContact N-O 3Å; Y70-S118 PolarHBondContact O-N 2.83Å; Y70-L120 VanDerWaalsContact CD2-C 3.41Å; Y70-S121 VanDerWaalsContact CD2-N 3.3Å; Y70-Q140 HydrophobicContact CD1-CB 4.43Å; Y70-Q140 HydrophobicContact CD1-CG 4.28Å; Y70-E142 HydrophobicContact CD1-CG 3.66Å; Y70-E142 HydrophobicContact CE1-CG 3.35Å; Y70-E142 WeakPolarHBondContact CE1-OE1 3.49Å; Y70-E142 HydrophobicContact CG-CG 4.49Å; Y70-E142 PolarHBondContact OH-OE1 2.79Å
71	T	83.8	Confident	74	Confident	23 Å²	23	62.2 Å²	62.2	14%	0.141	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	173	175.5	68.3	0	0	0	0	111.1	H73 Q140 Q141 V143	T71-H73 PolarHBondContact O-N 3.06Å; T71-H73 PolarHBondContact OG1-N 3.25Å; T71-Q140 WeakPolarHBondContact O-CG 3.49Å; T71-Q140 PolarHBondContact O-NE2 2.78Å; T71-Q141 PolarHBondContact N-O 3.33Å; T71-Q141 PolarHBondContact OG1-O 2.95Å; T71-V143 HydrophobicContact CG2-CG2 3.65Å
72	N	85	Confident	76.4	Confident	6 Å²	6	59 Å²	59	3%	0.032	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	33.1	173.3	63.7	-25.9	0	0	0	113.3	W74 Y110 H111 T114 K116	N72-W74 HydrophobicContact CB-CZ3 4.42Å; N72-W74 VanDerWaalsContact O-CZ3 3.29Å; N72-W74 WeakPolarHBondContact O-CZ3 3.37Å; N72-Y110 WeakPolarHBondContact ND2-CE2 3.15Å; N72-Y110 PolarHBondContact ND2-OH 3.1Å; N72-Y110 WeakPolarHBondContact O-CD2 3.23Å; N72-H111 PolarHBondContact ND2-O 3.31Å; N72-H111 PolarHBondContact O-N 2.65Å; N72-T114 WeakPolarHBondContact CB-O 3.39Å; N72-T114 PolarHBondContact ND2-O 2.62Å; N72-K116 WeakPolarHBondContact OD1-CA 3.46Å
73	H	87.8	Confident	78.7	Confident	51 Å²	51	57.4 Å²	57.4	24%	0.236	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	146.6	175.2	-66.2	-102.9	0	0	0	110.2	T71 H108 F109 Y110 Q141	T71-H73 PolarHBondContact O-N 3.06Å; T71-H73 PolarHBondContact OG1-N 3.25Å; H73-H108 AromaticContact CE1-NE2 3.96Å; H73-H108 AromaticContact CG-NE2 3.62Å; H73-H108 AromaticContact ND1-CD2 3.99Å; H73-H108 AromaticContact ND1-CE1 3.55Å; H73-H108 AromaticContact ND1-NE2 2.91Å; H73-H108 PolarHBondContact ND1-NE2 3.45Å; H73-F109 CarbonylContact C-O 3.46Å; H73-Y110 AromaticContact CE1-CD2 3.54Å; H73-Y110 AromaticContact ND1-CD2 3.89Å; H73-Y110 AromaticContact NE2-CD2 3.68Å; H73-Y110 AromaticContact NE2-CE2 3.87Å; H73-Q141 HydrophobicContact CB-CB 4.3Å; H73-Q141 HydrophobicContact CB-CG 4.34Å; H73-Q141 WeakPolarHBondContact O-CB 3.25Å; H73-Q141 PolarHBondContact O-N 2.83Å
74	W	90.9	Very high	81	Confident	8 Å²	8	55.2 Å²	55.2	3%	0.03	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	145.2	178	-72.2	-107.1	0	0	0	110.1	N72 V76 Y94 F109 H111 T114 H126 L138 Q139 Q140	N72-W74 HydrophobicContact CB-CZ3 4.42Å; N72-W74 VanDerWaalsContact O-CZ3 3.29Å; N72-W74 WeakPolarHBondContact O-CZ3 3.37Å; W74-V76 HydrophobicContact CB-CG2 4.17Å; W74-Y94 AromaticContact CD2-CE1 3.82Å; W74-Y94 HydrophobicContact CD2-CE1 3.82Å; W74-Y94 HydrophobicContact CE3-CD1 4.27Å; W74-Y94 AromaticContact CE3-CE1 3.63Å; W74-Y94 HydrophobicContact CE3-CE1 3.63Å; W74-Y94 HydrophobicContact CG-CE1 4.38Å; W74-Y94 HydrophobicContact CH2-CE1 4.28Å; W74-Y94 HydrophobicContact CZ2-CE1 4.44Å; W74-Y94 AromaticContact CZ3-CE1 3.89Å; W74-Y94 HydrophobicContact CZ3-CE1 3.89Å; W74-F109 HydrophobicContact CB-CB 4.42Å; W74-F109 PolarHBondContact N-O 2.94Å; W74-F109 PolarHBondContact O-N 3.37Å; W74-H111 HydrophobicContact CE3-CB 4.38Å; W74-H111 HydrophobicContact CH2-CB 3.99Å; W74-H111 HydrophobicContact CZ3-CB 3.53Å; W74-T114 HydrophobicContact CH2-CG2 4Å; W74-H126 HydrophobicContact CZ2-CB 4.38Å; W74-L138 HydrophobicContact CB-CD1 3.98Å; W74-L138 HydrophobicContact CG-CD1 4.08Å; W74-Q139 WeakPolarHBondContact CA-O 3.47Å; W74-Q140 VanDerWaalsContact CD1-CA 3.45Å; W74-Q140 HydrophobicContact CD2-CG 4.25Å; W74-Q140 HydrophobicContact CG-CB 4.4Å; W74-Q140 HydrophobicContact CZ2-CG 4Å
75	A	90.6	Very high	83.1	Confident	9 Å²	9	49.8 Å²	49.8	7%	0.074	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	133.1	160.7	0	0	0	0	0	107.5	I100 W137 Q139	A75-I100 HydrophobicContact CB-CD1 3.52Å; A75-W137 HydrophobicContact CB-CH2 4.09Å; A75-W137 HydrophobicContact CB-CZ3 3.65Å; A75-W137 WeakPolarHBondContact O-CZ3 3.42Å; A75-Q139 PolarHBondContact N-O 3.39Å; A75-Q139 PolarHBondContact O-N 3.46Å
76	V	91.3	Very high	84.7	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	138.8	-172.2	-161.5	0	0	0	0	108.4	W74 V78 Y106 Y107 F109 L129 V135 W137 L138	W74-V76 HydrophobicContact CB-CG2 4.17Å; V76-V78 HydrophobicContact CB-CG2 4.3Å; V76-V78 HydrophobicContact CG1-CG2 3.73Å; V76-Y106 CarbonylContact O-C 3.53Å; V76-Y106 WeakPolarHBondContact O-CA 3.37Å; V76-Y107 PolarHBondContact N-O 2.84Å; V76-Y107 PolarHBondContact O-N 3.2Å; V76-F109 HydrophobicContact CB-CD2 4.42Å; V76-F109 HydrophobicContact CB-CE2 4.46Å; V76-F109 HydrophobicContact CB-CG 4.43Å; V76-F109 HydrophobicContact CG1-CE2 4.36Å; V76-F109 HydrophobicContact CG2-CB 3.75Å; V76-F109 HydrophobicContact CG2-CD1 4.01Å; V76-F109 HydrophobicContact CG2-CD2 3.62Å; V76-F109 HydrophobicContact CG2-CE1 4.49Å; V76-F109 HydrophobicContact CG2-CE2 4.13Å; V76-F109 HydrophobicContact CG2-CG 3.52Å; V76-L129 HydrophobicContact CG1-CD2 4.41Å; V76-L129 HydrophobicContact CG2-CD2 4.25Å; V76-V135 HydrophobicContact CG1-CG1 3.77Å; V76-V135 HydrophobicContact CG1-CG2 4.03Å; V76-W137 CarbonylContact C-O 3.36Å; V76-W137 WeakPolarHBondContact CA-O 3.17Å; V76-L138 HydrophobicContact CB-CD1 4.3Å; V76-L138 HydrophobicContact CG1-CD1 4.11Å; V76-L138 HydrophobicContact CG2-CD1 3.64Å
77	Q	92.9	Very high	86.3	Confident	43 Å²	43	48 Å²	48	20%	0.201	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	116.6	167.8	-165.4	179	5.9	0	0	108.8	D105 Y106 V135 K136 W137	Q77-D105 CarbonylContact C-O 3.6Å; Q77-D105 VanDerWaalsContact CA-O 3.27Å; Q77-D105 WeakPolarHBondContact CA-O 3.49Å; Q77-D105 HydrophobicContact CG-CB 4.45Å; Q77-Y106 HydrophobicContact CB-CD1 3.78Å; Q77-Y106 HydrophobicContact CB-CE1 3.57Å; Q77-Y106 VanDerWaalsContact CD-OH 3.26Å; Q77-Y106 HydrophobicContact CG-CD1 4.01Å; Q77-Y106 HydrophobicContact CG-CD2 4.41Å; Q77-Y106 HydrophobicContact CG-CE1 3.73Å; Q77-Y106 HydrophobicContact CG-CE2 4.17Å; Q77-Y106 HydrophobicContact CG-CG 4.34Å; Q77-Y106 PolarHBondContact NE2-OH 3.05Å; Q77-Y106 PolarHBondContact OE1-OH 3.42Å; Q77-V135 CarbonylContact O-C 3.53Å; Q77-V135 VanDerWaalsContact O-CA 3.3Å; Q77-V135 WeakPolarHBondContact O-CA 3.44Å; Q77-K136 PolarHBondContact O-N 2.84Å; Q77-W137 HydrophobicContact CB-CB 3.87Å; Q77-W137 PolarHBondContact N-O 3.12Å
78	V	91.5	Very high	87.3	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	116.9	-179.4	-169.6	0	0	0	0	107.9	V76 E84 A85 V88 D105 Y107 F109 Q134 V135	V76-V78 HydrophobicContact CB-CG2 4.3Å; V76-V78 HydrophobicContact CG1-CG2 3.73Å; V78-E84 HydrophobicContact CG1-CG 4.38Å; V78-A85 HydrophobicContact CB-CB 4.19Å; V78-A85 HydrophobicContact CG1-CB 4.46Å; V78-A85 HydrophobicContact CG2-CB 4.42Å; V78-V88 HydrophobicContact CG1-CB 4.21Å; V78-V88 HydrophobicContact CG1-CG1 4.47Å; V78-V88 HydrophobicContact CG1-CG2 3.95Å; V78-V88 HydrophobicContact CG2-CG1 4.41Å; V78-D105 PolarHBondContact N-O 3.33Å; V78-D105 VanDerWaalsContact O-CB 3.3Å; V78-D105 WeakPolarHBondContact O-CB 3.47Å; V78-Y107 HydrophobicContact CB-CD2 4.12Å; V78-Y107 HydrophobicContact CB-CE2 4.45Å; V78-Y107 HydrophobicContact CG2-CD2 4.36Å; V78-F109 HydrophobicContact CG2-CZ 3.99Å; V78-Q134 HydrophobicContact CG1-CB 3.82Å; V78-V135 HydrophobicContact CG2-CG2 4.19Å
79	L	86.1	Confident	88	Confident	64 Å²	64	35.9 Å²	35.9	34%	0.335	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	146.8	177.8	-55.2	-174.3	0	0	0	111.1	D105 Q134 K136	L79-D105 HydrophobicContact CD2-CB 4.11Å; L79-D105 VanDerWaalsContact CD2-OD2 3.27Å; L79-D105 WeakPolarHBondContact CD2-OD2 3.48Å; L79-Q134 PolarHBondContact N-O 2.95Å; L79-K136 HydrophobicContact CD1-CD 4.28Å; L79-K136 HydrophobicContact CD1-CG 3.94Å; L79-K136 HydrophobicContact CD2-CG 4.23Å; L79-K136 HydrophobicContact CG-CG 3.79Å
80	G	83.8	Confident	88.3	Confident	62 Å²	62	37.1 Å²	37.1	64%	0.639	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	105.6	10.9	177	0	0	0	0	0	114.5
81	G	86	Confident	88.4	Confident	15 Å²	15	38.7 Å²	38.7	16%	0.155	25%	0.248	C	C	.	.			trans	75.9	-175	174.1	0	0	0	0	0	115.4	A83 E84 A85 D105 Y107	G81-A83 PolarHBondContact O-N 3.49Å; G81-E84 PolarHBondContact O-N 3.19Å; G81-A85 PolarHBondContact O-N 3.24Å; G81-A85 VanDerWaalsContact O-N 3.15Å; G81-D105 PolarHBondContact N-OD1 3.01Å; G81-D105 VanDerWaalsContact N-OD1 3.1Å; G81-Y107 VanDerWaalsContact C-OH 3.23Å; G81-Y107 WeakPolarHBondContact CA-OH 3.46Å
82	P	84.9	Confident	88.5	Confident	72 Å²	72	40.1 Å²	40.1	47%	0.468	25%	0.253	S	S	.	.	H	α-helix	trans	-60.8	-38.4	-164	-26.9	35.3	0	0	0	115	E84 A85 D86 Y107	P82-E84 VanDerWaalsContact C-N 3.35Å; P82-E84 PolarHBondContact O-N 2.04Å; P82-A85 WeakPolarHBondContact O-CB 3.46Å; P82-A85 PolarHBondContact O-N 3.46Å; P82-D86 PolarHBondContact O-N 3.04Å; P82-Y107 HydrophobicContact CB-CE1 4.25Å; P82-Y107 WeakPolarHBondContact CD-OH 3.5Å; P82-Y107 HydrophobicContact CG-CE1 4.2Å
83	A	88.1	Confident	88.5	Confident	77 Å²	77	42 Å²	42	64%	0.636	27%	0.274	S	S	*	.	H	α-helix	trans	-66.7	-34.5	-178.8	0	0	0	0	0	112.9	G81 R87	G81-A83 PolarHBondContact O-N 3.49Å; A83-R87 PolarHBondContact O-N 3.2Å
84	E	91.1	Very high	88.5	Confident	40 Å²	40	40.2 Å²	40.2	19%	0.187	27%	0.265	C	S	.	.	H	α-helix	trans	-75.3	-34	174.9	-173	66.7	170.7	0	0	110.8	V78 G81 P82 R87 V88 Q134	V78-E84 HydrophobicContact CG1-CG 4.38Å; G81-E84 PolarHBondContact O-N 3.19Å; P82-E84 VanDerWaalsContact C-N 3.35Å; P82-E84 PolarHBondContact O-N 2.04Å; E84-R87 VanDerWaalsContact CD-NE 3.3Å; E84-R87 PolarHBondContact O-N 2.8Å; E84-R87 IonicContact OE1-CZ 3.41Å; E84-R87 IonicContact OE1-NE 3.26Å; E84-R87 PolarHBondContact OE1-NE 2.88Å; E84-R87 IonicContact OE1-NH2 2.72Å; E84-R87 PolarHBondContact OE1-NH2 3.18Å; E84-R87 WeakPolarHBondContact OE2-CD 3.38Å; E84-R87 IonicContact OE2-CZ 3.64Å; E84-R87 IonicContact OE2-NE 2.75Å; E84-R87 PolarHBondContact OE2-NE 2.82Å; E84-R87 IonicContact OE2-NH2 3.69Å; E84-V88 WeakPolarHBondContact O-CB 3.37Å; E84-V88 VanDerWaalsContact O-CG2 3.25Å; E84-V88 WeakPolarHBondContact O-CG2 3.4Å; E84-V88 PolarHBondContact O-N 2.89Å; E84-Q134 HydrophobicContact CG-CG 4.15Å; E84-Q134 VanDerWaalsContact OE1-CG 3.31Å; E84-Q134 WeakPolarHBondContact OE1-CG 3.29Å; E84-Q134 PolarHBondContact OE1-NE2 3.37Å
85	A	89.3	Confident	88.2	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63	-40.1	170.3	0	0	0	0	0	112.8	V78 G81 P82 V88 A89 Y107 F109	V78-A85 HydrophobicContact CB-CB 4.19Å; V78-A85 HydrophobicContact CG1-CB 4.46Å; V78-A85 HydrophobicContact CG2-CB 4.42Å; G81-A85 PolarHBondContact O-N 3.24Å; G81-A85 VanDerWaalsContact O-N 3.15Å; P82-A85 WeakPolarHBondContact O-CB 3.46Å; P82-A85 PolarHBondContact O-N 3.46Å; A85-V88 PolarHBondContact O-N 3.43Å; A85-A89 VanDerWaalsContact O-CB 3.3Å; A85-A89 WeakPolarHBondContact O-CB 3.41Å; A85-A89 PolarHBondContact O-N 2.96Å; A85-Y107 HydrophobicContact CB-CD1 3.83Å; A85-Y107 HydrophobicContact CB-CD2 3.32Å; A85-Y107 HydrophobicContact CB-CE1 4.08Å; A85-Y107 HydrophobicContact CB-CE2 3.55Å; A85-Y107 HydrophobicContact CB-CG 3.48Å; A85-Y107 VanDerWaalsContact CB-CG 3.48Å; A85-F109 HydrophobicContact CB-CE1 4.36Å; A85-F109 HydrophobicContact CB-CZ 4.47Å; A85-F109 VanDerWaalsContact O-CZ 3.25Å; A85-F109 WeakPolarHBondContact O-CZ 3.31Å
86	D	89.1	Confident	88.2	Confident	84 Å²	84	45.4 Å²	45.4	45%	0.449	29%	0.291	S	S	.	.	H	α-helix	trans	-64.3	-44	173.4	-69.6	-27	0	0	0	111.6	P82 V88 A89 A90 N96	P82-D86 PolarHBondContact O-N 3.04Å; D86-V88 PolarHBondContact O-N 2.94Å; D86-A89 PolarHBondContact O-N 2.93Å; D86-A90 WeakPolarHBondContact O-CB 3.5Å; D86-A90 PolarHBondContact O-N 3.4Å; D86-N96 VanDerWaalsContact OD1-CB 3.25Å; D86-N96 WeakPolarHBondContact OD1-CB 3.06Å; D86-N96 PolarHBondContact OD1-ND2 2.93Å
87	R	93	Very high	87.8	Confident	115 Å²	115	49.4 Å²	49.4	43%	0.434	31%	0.312	S	S	.	.	H	α-helix	trans	-59.2	-46.8	175.5	-167.7	-165	64.8	66.4	0.6	111.6	A83 E84 A91	A83-R87 PolarHBondContact O-N 3.2Å; E84-R87 VanDerWaalsContact CD-NE 3.3Å; E84-R87 PolarHBondContact O-N 2.8Å; E84-R87 IonicContact OE1-CZ 3.41Å; E84-R87 IonicContact OE1-NE 3.26Å; E84-R87 PolarHBondContact OE1-NE 2.88Å; E84-R87 IonicContact OE1-NH2 2.72Å; E84-R87 PolarHBondContact OE1-NH2 3.18Å; E84-R87 WeakPolarHBondContact OE2-CD 3.38Å; E84-R87 IonicContact OE2-CZ 3.64Å; E84-R87 IonicContact OE2-NE 2.75Å; E84-R87 PolarHBondContact OE2-NE 2.82Å; E84-R87 IonicContact OE2-NH2 3.69Å; R87-A91 VanDerWaalsContact O-CB 3.28Å; R87-A91 WeakPolarHBondContact O-CB 3.46Å; R87-A91 PolarHBondContact O-N 2.83Å
88	V	90.1	Very high	87.2	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-69	-39.4	179.5	170.4	0	0	0	0	111.3	V78 E84 A85 D86 H92 F109 L129 Q134 V135	V78-V88 HydrophobicContact CG1-CB 4.21Å; V78-V88 HydrophobicContact CG1-CG1 4.47Å; V78-V88 HydrophobicContact CG1-CG2 3.95Å; V78-V88 HydrophobicContact CG2-CG1 4.41Å; E84-V88 WeakPolarHBondContact O-CB 3.37Å; E84-V88 VanDerWaalsContact O-CG2 3.25Å; E84-V88 WeakPolarHBondContact O-CG2 3.4Å; E84-V88 PolarHBondContact O-N 2.89Å; A85-V88 PolarHBondContact O-N 3.43Å; D86-V88 PolarHBondContact O-N 2.94Å; V88-H92 PolarHBondContact O-CD2 2.89Å; V88-H92 VanDerWaalsContact O-CD2 3.28Å; V88-H92 PolarHBondContact O-N 2.84Å; V88-F109 HydrophobicContact CG1-CE2 4.23Å; V88-F109 HydrophobicContact CG1-CZ 4.48Å; V88-L129 HydrophobicContact CG1-CD1 3.61Å; V88-Q134 HydrophobicContact CG2-CB 4.22Å; V88-Q134 HydrophobicContact CG2-CG 4.41Å; V88-V135 HydrophobicContact CG1-CG2 3.69Å
89	A	88.3	Confident	87.1	Confident	2 Å²	2	52.6 Å²	52.6	2%	0.017	34%	0.335	C	S	.	.	H	α-helix	trans	-59	-54.4	174.4	0	0	0	0	0	111	A85 D86 A91 H92 G93 Y94 N96 F109	A85-A89 VanDerWaalsContact O-CB 3.3Å; A85-A89 WeakPolarHBondContact O-CB 3.41Å; A85-A89 PolarHBondContact O-N 2.96Å; D86-A89 PolarHBondContact O-N 2.93Å; A89-A91 PolarHBondContact O-N 3.19Å; A89-H92 PolarHBondContact O-N 2.98Å; A89-G93 PolarHBondContact O-N 2.99Å; A89-G93 VanDerWaalsContact O-N 3.17Å; A89-Y94 CarbonylContact C-O 3.22Å; A89-Y94 VanDerWaalsContact C-O 3.22Å; A89-Y94 WeakPolarHBondContact O-CA 3.29Å; A89-Y94 PolarHBondContact O-N 2.97Å; A89-Y94 VanDerWaalsContact O-O 3.13Å; A89-N96 HydrophobicContact CB-CB 3.88Å; A89-F109 HydrophobicContact CB-CD1 4.31Å; A89-F109 HydrophobicContact CB-CD2 4.03Å; A89-F109 HydrophobicContact CB-CE1 3.95Å; A89-F109 HydrophobicContact CB-CE2 3.67Å; A89-F109 HydrophobicContact CB-CG 4.37Å; A89-F109 HydrophobicContact CB-CZ 3.64Å
90	A	86.4	Confident	86.8	Confident	72 Å²	72	52.1 Å²	52.1	60%	0.595	33%	0.333	S	S	*	.	H	α-helix	trans	-60.4	-43.5	-178.4	0	0	0	0	0	112.5	D86 H92 G93	D86-A90 WeakPolarHBondContact O-CB 3.5Å; D86-A90 PolarHBondContact O-N 3.4Å; A90-H92 VanDerWaalsContact C-N 3.25Å; A90-H92 PolarHBondContact O-N 2.83Å; A90-G93 PolarHBondContact O-N 2.87Å; A90-G93 VanDerWaalsContact O-N 3.16Å
91	A	86.5	Confident	86.5	Confident	69 Å²	69	52.4 Å²	52.4	57%	0.57	34%	0.335	S	S	*	.	H	α-helix	trans	-60.4	-31.5	-179.7	0	0	0	0	0	113.7	R87 A89	R87-A91 VanDerWaalsContact O-CB 3.28Å; R87-A91 WeakPolarHBondContact O-CB 3.46Å; R87-A91 PolarHBondContact O-N 2.83Å; A89-A91 PolarHBondContact O-N 3.19Å
92	H	85.8	Confident	86	Confident	54 Å²	54	58.7 Å²	58.7	25%	0.25	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	9.9	179.4	-65.4	-89.3	0	0	0	113.5	V88 A89 A90 Y94 L129 D132	V88-H92 PolarHBondContact O-CD2 2.89Å; V88-H92 VanDerWaalsContact O-CD2 3.28Å; V88-H92 PolarHBondContact O-N 2.84Å; A89-H92 PolarHBondContact O-N 2.98Å; A90-H92 VanDerWaalsContact C-N 3.25Å; A90-H92 PolarHBondContact O-N 2.83Å; H92-Y94 HydrophobicContact CB-CD2 3.86Å; H92-Y94 HydrophobicContact CB-CE2 4.07Å; H92-Y94 VanDerWaalsContact O-CD2 3.27Å; H92-Y94 WeakPolarHBondContact O-CD2 3.43Å; H92-Y94 WeakPolarHBondContact O-CE2 3.14Å; H92-L129 HydrophobicContact CB-CB 4.31Å; H92-L129 HydrophobicContact CB-CD1 4.05Å; H92-D132 IonicContact CD2-OD2 3.7Å; H92-D132 IonicContact CE1-OD2 3.94Å; H92-D132 IonicContact NE2-OD2 2.87Å; H92-D132 PolarHBondContact NE2-OD2 2.86Å
93	G	84.4	Confident	85.8	Confident	46 Å²	46	59.3 Å²	59.3	47%	0.474	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	14.7	176.3	0	0	0	0	0	115.7	A89 A90 H111	A89-G93 PolarHBondContact O-N 2.99Å; A89-G93 VanDerWaalsContact O-N 3.17Å; A90-G93 PolarHBondContact O-N 2.87Å; A90-G93 VanDerWaalsContact O-N 3.16Å; G93-H111 PolarHBondContact O-CD2 3.49Å
94	Y	87.9	Confident	85.6	Confident	13 Å²	13	63.3 Å²	63.3	5%	0.051	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-93.5	155.2	176.4	-67.6	-101	0	0	0	111.5	W74 A89 H92 F109 Y110 H111 H126 L129	W74-Y94 AromaticContact CD2-CE1 3.82Å; W74-Y94 HydrophobicContact CD2-CE1 3.82Å; W74-Y94 HydrophobicContact CE3-CD1 4.27Å; W74-Y94 AromaticContact CE3-CE1 3.63Å; W74-Y94 HydrophobicContact CE3-CE1 3.63Å; W74-Y94 HydrophobicContact CG-CE1 4.38Å; W74-Y94 HydrophobicContact CH2-CE1 4.28Å; W74-Y94 HydrophobicContact CZ2-CE1 4.44Å; W74-Y94 AromaticContact CZ3-CE1 3.89Å; W74-Y94 HydrophobicContact CZ3-CE1 3.89Å; A89-Y94 CarbonylContact C-O 3.22Å; A89-Y94 VanDerWaalsContact C-O 3.22Å; A89-Y94 WeakPolarHBondContact O-CA 3.29Å; A89-Y94 PolarHBondContact O-N 2.97Å; A89-Y94 VanDerWaalsContact O-O 3.13Å; H92-Y94 HydrophobicContact CB-CD2 3.86Å; H92-Y94 HydrophobicContact CB-CE2 4.07Å; H92-Y94 VanDerWaalsContact O-CD2 3.27Å; H92-Y94 WeakPolarHBondContact O-CD2 3.43Å; H92-Y94 WeakPolarHBondContact O-CE2 3.14Å; Y94-F109 HydrophobicContact CD1-CB 3.84Å; Y94-F109 HydrophobicContact CD1-CD2 4.33Å; Y94-F109 HydrophobicContact CG-CB 4.26Å; Y94-F109 HydrophobicContact CG-CD2 4.02Å; Y94-Y110 WeakPolarHBondContact CA-O 3.5Å; Y94-H111 HydrophobicContact CD1-CB 3.78Å; Y94-H111 HydrophobicContact CE1-CB 3.74Å; Y94-H126 WeakPolarHBondContact OH-CA 3.39Å; Y94-H126 WeakPolarHBondContact OH-CB 3.29Å; Y94-H126 PolarHBondContact OH-O 2.88Å; Y94-L129 HydrophobicContact CD2-CD2 4.04Å; Y94-L129 HydrophobicContact CE1-CD2 4.25Å; Y94-L129 HydrophobicContact CE2-CB 4.11Å; Y94-L129 HydrophobicContact CE2-CD2 3.78Å; Y94-L129 HydrophobicContact CE2-CG 4.47Å; Y94-L129 HydrophobicContact CG-CD2 4.42Å
95	L	86.3	Confident	85.5	Confident	103 Å²	103	63.5 Å²	63.5	54%	0.539	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	123.7	163.8	177.7	63.3	0	0	0	108.6	L97 F109 Y110	L95-L97 HydrophobicContact CD2-CD2 3.8Å; L95-L97 HydrophobicContact CG-CD2 3.99Å; L95-F109 WeakPolarHBondContact O-CA 3.38Å; L95-Y110 HydrophobicContact CB-CD1 4.41Å; L95-Y110 HydrophobicContact CD2-CD1 4.48Å; L95-Y110 PolarHBondContact N-O 3.04Å; L95-Y110 PolarHBondContact O-N 2.85Å
96	N	90.3	Very high	85.7	Confident	22 Å²	22	66.8 Å²	66.8	12%	0.118	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	130.2	167	-169	10.2	0	0	0	109.2	D86 A89 G98 F109	D86-N96 VanDerWaalsContact OD1-CB 3.25Å; D86-N96 WeakPolarHBondContact OD1-CB 3.06Å; D86-N96 PolarHBondContact OD1-ND2 2.93Å; A89-N96 HydrophobicContact CB-CB 3.88Å; N96-G98 PolarHBondContact OD1-N 3.42Å; N96-F109 HydrophobicContact CB-CD1 4.24Å; N96-F109 HydrophobicContact CB-CE1 4.1Å
97	L	82.1	Confident	85.8	Confident	84 Å²	84	63 Å²	63	44%	0.44	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	11.6	174.5	-57.7	-180	0	0	0	111.9	L95 H108	L95-L97 HydrophobicContact CD2-CD2 3.8Å; L95-L97 HydrophobicContact CG-CD2 3.99Å; L97-H108 HydrophobicContact CB-CB 4.18Å; L97-H108 WeakPolarHBondContact CB-O 3.24Å; L97-H108 PolarHBondContact N-O 3.43Å
98	G	80.7	Confident	85.7	Confident	30 Å²	30	60.4 Å²	60.4	31%	0.309	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	95.9	-177.7	178.4	0	0	0	0	0	114.1	N96 H108	N96-G98 PolarHBondContact OD1-N 3.42Å; G98-H108 PolarHBondContact O-N 2.75Å
99	Q	89	Confident	85.7	Confident	80 Å²	80	60.4 Å²	60.4	37%	0.374	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	143.7	-176.8	-166.2	174	-25.4	0	0	111.7	G101 L103 Y106 Y107	Q99-G101 VanDerWaalsContact C-N 3.31Å; Q99-G101 PolarHBondContact O-N 2.83Å; Q99-L103 VanDerWaalsContact CG-O 3.24Å; Q99-L103 WeakPolarHBondContact CG-O 3.45Å; Q99-L103 VanDerWaalsContact NE2-C 3.33Å; Q99-L103 PolarHBondContact NE2-O 2.94Å; Q99-Y106 CarbonylContact C-O 3.07Å; Q99-Y106 WeakPolarHBondContact CA-O 3.34Å; Q99-Y106 WeakPolarHBondContact CG-O 3.49Å; Q99-Y107 HydrophobicContact CB-CD1 4.11Å; Q99-Y107 HydrophobicContact CB-CE1 3.82Å; Q99-Y107 HydrophobicContact CG-CE1 4.1Å
100	I	78.9	Confident	85.7	Confident	55 Å²	55	63.7 Å²	63.7	28%	0.282	37%	0.369	S	S	.	.			trans	-79.9	81	-178.2	-59.4	177.7	0	0	0	109.4	A75 N102 L103 Y106 Y107 H108	A75-I100 HydrophobicContact CB-CD1 3.52Å; I100-N102 PolarHBondContact O-N 2.62Å; I100-L103 HydrophobicContact CB-CD1 4.43Å; I100-L103 HydrophobicContact CG2-CD1 4.1Å; I100-L103 WeakPolarHBondContact O-CB 3.5Å; I100-L103 WeakPolarHBondContact O-CG 3.41Å; I100-L103 PolarHBondContact O-N 2.71Å; I100-Y106 PolarHBondContact N-O 2.96Å; I100-Y107 WeakPolarHBondContact CD1-O 3.41Å; I100-H108 HydrophobicContact CD1-CB 4.38Å; I100-H108 HydrophobicContact CG1-CB 3.95Å
101	G	78.3	Confident	85.6	Confident	67 Å²	67	60.8 Å²	60.8	69%	0.691	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	-124.7	-177.9	0	0	0	0	0	111.2	Q99	Q99-G101 VanDerWaalsContact C-N 3.31Å; Q99-G101 PolarHBondContact O-N 2.83Å
102	N	75.5	Confident	85	Confident	147 Å²	147	61.5 Å²	61.5	79%	0.786	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	16.6	179.8	71.1	-54	0	0	0	113.9	I100 E104	I100-N102 PolarHBondContact O-N 2.62Å; N102-E104 PolarHBondContact O-N 2.93Å
103	L	80.6	Confident	84.4	Confident	85 Å²	85	67.7 Å²	67.7	45%	0.445	37%	0.37	S	S	.	.			trans	-84.8	108	178.4	-61.3	178.5	0	0	0	109.8	Q99 I100 Y106	Q99-L103 VanDerWaalsContact CG-O 3.24Å; Q99-L103 WeakPolarHBondContact CG-O 3.45Å; Q99-L103 VanDerWaalsContact NE2-C 3.33Å; Q99-L103 PolarHBondContact NE2-O 2.94Å; I100-L103 HydrophobicContact CB-CD1 4.43Å; I100-L103 HydrophobicContact CG2-CD1 4.1Å; I100-L103 WeakPolarHBondContact O-CB 3.5Å; I100-L103 WeakPolarHBondContact O-CG 3.41Å; I100-L103 PolarHBondContact O-N 2.71Å; L103-Y106 HydrophobicContact CB-CD2 3.81Å; L103-Y106 HydrophobicContact CB-CG 4.14Å; L103-Y106 PolarHBondContact O-N 2.8Å
104	E	84.9	Confident	84	Confident	162 Å²	162	66.4 Å²	66.4	76%	0.757	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	140.5	178.3	-66.1	179.7	168.2	0	0	111.9	N102 Y106	N102-E104 PolarHBondContact O-N 2.93Å; E104-Y106 WeakPolarHBondContact O-CD2 3.49Å; E104-Y106 PolarHBondContact O-N 2.75Å
105	D	89.2	Confident	83.3	Confident	43 Å²	43	73.5 Å²	73.5	23%	0.23	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	9.5	-173.9	-74.4	-22	0	0	0	116.4	Q77 V78 L79 G81 Y107	Q77-D105 CarbonylContact C-O 3.6Å; Q77-D105 VanDerWaalsContact CA-O 3.27Å; Q77-D105 WeakPolarHBondContact CA-O 3.49Å; Q77-D105 HydrophobicContact CG-CB 4.45Å; V78-D105 PolarHBondContact N-O 3.33Å; V78-D105 VanDerWaalsContact O-CB 3.3Å; V78-D105 WeakPolarHBondContact O-CB 3.47Å; L79-D105 HydrophobicContact CD2-CB 4.11Å; L79-D105 VanDerWaalsContact CD2-OD2 3.27Å; L79-D105 WeakPolarHBondContact CD2-OD2 3.48Å; G81-D105 PolarHBondContact N-OD1 3.01Å; G81-D105 VanDerWaalsContact N-OD1 3.1Å; D105-Y107 VanDerWaalsContact C-CE2 3.45Å; D105-Y107 WeakPolarHBondContact O-CD2 3.04Å; D105-Y107 WeakPolarHBondContact O-CE2 3.43Å
106	Y	93.3	Very high	82.4	Confident	70 Å²	70	76.4 Å²	76.4	28%	0.275	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.1	174.7	-72.3	-84.9	0	0	0	112.7	V76 Q77 Q99 I100 L103 E104 W137	V76-Y106 CarbonylContact O-C 3.53Å; V76-Y106 WeakPolarHBondContact O-CA 3.37Å; Q77-Y106 HydrophobicContact CB-CD1 3.78Å; Q77-Y106 HydrophobicContact CB-CE1 3.57Å; Q77-Y106 VanDerWaalsContact CD-OH 3.26Å; Q77-Y106 HydrophobicContact CG-CD1 4.01Å; Q77-Y106 HydrophobicContact CG-CD2 4.41Å; Q77-Y106 HydrophobicContact CG-CE1 3.73Å; Q77-Y106 HydrophobicContact CG-CE2 4.17Å; Q77-Y106 HydrophobicContact CG-CG 4.34Å; Q77-Y106 PolarHBondContact NE2-OH 3.05Å; Q77-Y106 PolarHBondContact OE1-OH 3.42Å; Q99-Y106 CarbonylContact C-O 3.07Å; Q99-Y106 WeakPolarHBondContact CA-O 3.34Å; Q99-Y106 WeakPolarHBondContact CG-O 3.49Å; I100-Y106 PolarHBondContact N-O 2.96Å; L103-Y106 HydrophobicContact CB-CD2 3.81Å; L103-Y106 HydrophobicContact CB-CG 4.14Å; L103-Y106 PolarHBondContact O-N 2.8Å; E104-Y106 WeakPolarHBondContact O-CD2 3.49Å; E104-Y106 PolarHBondContact O-N 2.75Å; Y106-W137 HydrophobicContact CD1-CE3 4.27Å; Y106-W137 HydrophobicContact CD1-CZ3 4.41Å; Y106-W137 AromaticContact CE1-CE3 3.96Å; Y106-W137 HydrophobicContact CE1-CE3 3.96Å; Y106-W137 HydrophobicContact CE1-CZ3 4.36Å
107	Y	90.4	Very high	81.7	Confident	3 Å²	3	84.8 Å²	84.8	1%	0.012	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	148.5	-171.7	-61.2	-77.3	0	0	0	113.3	V76 V78 G81 P82 A85 Q99 I100 D105	V76-Y107 PolarHBondContact N-O 2.84Å; V76-Y107 PolarHBondContact O-N 3.2Å; V78-Y107 HydrophobicContact CB-CD2 4.12Å; V78-Y107 HydrophobicContact CB-CE2 4.45Å; V78-Y107 HydrophobicContact CG2-CD2 4.36Å; G81-Y107 VanDerWaalsContact C-OH 3.23Å; G81-Y107 WeakPolarHBondContact CA-OH 3.46Å; P82-Y107 HydrophobicContact CB-CE1 4.25Å; P82-Y107 WeakPolarHBondContact CD-OH 3.5Å; P82-Y107 HydrophobicContact CG-CE1 4.2Å; A85-Y107 HydrophobicContact CB-CD1 3.83Å; A85-Y107 HydrophobicContact CB-CD2 3.32Å; A85-Y107 HydrophobicContact CB-CE1 4.08Å; A85-Y107 HydrophobicContact CB-CE2 3.55Å; A85-Y107 HydrophobicContact CB-CG 3.48Å; A85-Y107 VanDerWaalsContact CB-CG 3.48Å; Q99-Y107 HydrophobicContact CB-CD1 4.11Å; Q99-Y107 HydrophobicContact CB-CE1 3.82Å; Q99-Y107 HydrophobicContact CG-CE1 4.1Å; I100-Y107 WeakPolarHBondContact CD1-O 3.41Å; D105-Y107 VanDerWaalsContact C-CE2 3.45Å; D105-Y107 WeakPolarHBondContact O-CD2 3.04Å; D105-Y107 WeakPolarHBondContact O-CE2 3.43Å
108	H	90.1	Very high	81.4	Confident	62 Å²	62	82.3 Å²	82.3	29%	0.287	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	102.1	-178	-177	-168.7	0	0	0	110.2	H73 L97 G98 I100	H73-H108 AromaticContact CE1-NE2 3.96Å; H73-H108 AromaticContact CG-NE2 3.62Å; H73-H108 AromaticContact ND1-CD2 3.99Å; H73-H108 AromaticContact ND1-CE1 3.55Å; H73-H108 AromaticContact ND1-NE2 2.91Å; H73-H108 PolarHBondContact ND1-NE2 3.45Å; L97-H108 HydrophobicContact CB-CB 4.18Å; L97-H108 WeakPolarHBondContact CB-O 3.24Å; L97-H108 PolarHBondContact N-O 3.43Å; G98-H108 PolarHBondContact O-N 2.75Å; I100-H108 HydrophobicContact CD1-CB 4.38Å; I100-H108 HydrophobicContact CG1-CB 3.95Å
109	F	91.5	Very high	81.1	Confident	0 Å²	0	85.1 Å²	85.1	0%	0	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	139.8	-179.6	-74.7	17.7	0	0	0	111.3	H73 W74 V76 V78 A85 V88 A89 Y94 L95 N96 L129	H73-F109 CarbonylContact C-O 3.46Å; W74-F109 HydrophobicContact CB-CB 4.42Å; W74-F109 PolarHBondContact N-O 2.94Å; W74-F109 PolarHBondContact O-N 3.37Å; V76-F109 HydrophobicContact CB-CD2 4.42Å; V76-F109 HydrophobicContact CB-CE2 4.46Å; V76-F109 HydrophobicContact CB-CG 4.43Å; V76-F109 HydrophobicContact CG1-CE2 4.36Å; V76-F109 HydrophobicContact CG2-CB 3.75Å; V76-F109 HydrophobicContact CG2-CD1 4.01Å; V76-F109 HydrophobicContact CG2-CD2 3.62Å; V76-F109 HydrophobicContact CG2-CE1 4.49Å; V76-F109 HydrophobicContact CG2-CE2 4.13Å; V76-F109 HydrophobicContact CG2-CG 3.52Å; V78-F109 HydrophobicContact CG2-CZ 3.99Å; A85-F109 HydrophobicContact CB-CE1 4.36Å; A85-F109 HydrophobicContact CB-CZ 4.47Å; A85-F109 VanDerWaalsContact O-CZ 3.25Å; A85-F109 WeakPolarHBondContact O-CZ 3.31Å; V88-F109 HydrophobicContact CG1-CE2 4.23Å; V88-F109 HydrophobicContact CG1-CZ 4.48Å; A89-F109 HydrophobicContact CB-CD1 4.31Å; A89-F109 HydrophobicContact CB-CD2 4.03Å; A89-F109 HydrophobicContact CB-CE1 3.95Å; A89-F109 HydrophobicContact CB-CE2 3.67Å; A89-F109 HydrophobicContact CB-CG 4.37Å; A89-F109 HydrophobicContact CB-CZ 3.64Å; Y94-F109 HydrophobicContact CD1-CB 3.84Å; Y94-F109 HydrophobicContact CD1-CD2 4.33Å; Y94-F109 HydrophobicContact CG-CB 4.26Å; Y94-F109 HydrophobicContact CG-CD2 4.02Å; L95-F109 WeakPolarHBondContact O-CA 3.38Å; N96-F109 HydrophobicContact CB-CD1 4.24Å; N96-F109 HydrophobicContact CB-CE1 4.1Å; F109-L129 HydrophobicContact CD2-CD1 4.43Å; F109-L129 HydrophobicContact CD2-CD2 3.76Å; F109-L129 HydrophobicContact CE2-CD1 4.02Å; F109-L129 HydrophobicContact CE2-CD2 4.15Å
110	Y	86.7	Confident	80.2	Confident	70 Å²	70	87.3 Å²	87.3	28%	0.275	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	143.9	177.3	172.2	-101.3	0	0	0	110.6	N72 H73 Y94 L95	N72-Y110 WeakPolarHBondContact ND2-CE2 3.15Å; N72-Y110 PolarHBondContact ND2-OH 3.1Å; N72-Y110 WeakPolarHBondContact O-CD2 3.23Å; H73-Y110 AromaticContact CE1-CD2 3.54Å; H73-Y110 AromaticContact ND1-CD2 3.89Å; H73-Y110 AromaticContact NE2-CD2 3.68Å; H73-Y110 AromaticContact NE2-CE2 3.87Å; Y94-Y110 WeakPolarHBondContact CA-O 3.5Å; L95-Y110 HydrophobicContact CB-CD1 4.41Å; L95-Y110 HydrophobicContact CD2-CD1 4.48Å; L95-Y110 PolarHBondContact N-O 3.04Å; L95-Y110 PolarHBondContact O-N 2.85Å
111	H	84.6	Confident	80.1	Confident	12 Å²	12	87.4 Å²	87.4	6%	0.056	44%	0.443	C	S	.	.			trans	-129.4	114.9	176.5	-167.2	-86.8	0	0	0	112	N72 W74 G93 Y94 K113 T114 H126	N72-H111 PolarHBondContact ND2-O 3.31Å; N72-H111 PolarHBondContact O-N 2.65Å; W74-H111 HydrophobicContact CE3-CB 4.38Å; W74-H111 HydrophobicContact CH2-CB 3.99Å; W74-H111 HydrophobicContact CZ3-CB 3.53Å; G93-H111 PolarHBondContact O-CD2 3.49Å; Y94-H111 HydrophobicContact CD1-CB 3.78Å; Y94-H111 HydrophobicContact CE1-CB 3.74Å; H111-K113 PolarHBondContact ND1-N 3.42Å; H111-K113 PolarHBondContact O-N 3.19Å; H111-T114 PolarHBondContact ND1-OG1 3.32Å; H111-T114 PolarHBondContact O-N 2.86Å; H111-H126 AromaticContact CD2-ND1 3.85Å; H111-H126 AromaticContact CE1-CE1 3Å; H111-H126 PolarHBondContact CE1-CE1 3.01Å; H111-H126 AromaticContact CE1-ND1 3.51Å; H111-H126 AromaticContact CE1-NE2 3.77Å; H111-H126 AromaticContact ND1-CE1 3.61Å; H111-H126 AromaticContact ND1-ND1 3.84Å; H111-H126 AromaticContact NE2-CE1 3.3Å; H111-H126 PolarHBondContact NE2-CE1 2.87Å; H111-H126 VanDerWaalsContact NE2-CE1 3.3Å; H111-H126 AromaticContact NE2-ND1 3.49Å; H111-H126 PolarHBondContact NE2-ND1 2.93Å
112	S	75.4	Confident	79.6	Confident	83 Å²	83	85.4 Å²	85.4	58%	0.58	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-30.2	-169.5	57.2	0	0	0	0	114.5	T114	S112-T114 VanDerWaalsContact C-N 3.34Å; S112-T114 PolarHBondContact O-N 2.84Å
113	K	72.5	Confident	79	Confident	184 Å²	184	89.3 Å²	89.3	80%	0.8	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	12	-177.3	-46.9	-178.9	-179.3	177.1	0	114.1	H111	H111-K113 PolarHBondContact ND1-N 3.42Å; H111-K113 PolarHBondContact O-N 3.19Å
114	T	75.3	Confident	78.2	Confident	20 Å²	20	86.9 Å²	86.9	12%	0.123	42%	0.418	C	S	.	.	S	Bend	trans	-112	146.1	179.3	-38.5	0	0	0	0	110.5	N72 W74 H111 S112 K116	N72-T114 WeakPolarHBondContact CB-O 3.39Å; N72-T114 PolarHBondContact ND2-O 2.62Å; W74-T114 HydrophobicContact CH2-CG2 4Å; H111-T114 PolarHBondContact ND1-OG1 3.32Å; H111-T114 PolarHBondContact O-N 2.86Å; S112-T114 VanDerWaalsContact C-N 3.34Å; S112-T114 PolarHBondContact O-N 2.84Å; T114-K116 PolarHBondContact O-N 2.96Å
115	F	73.3	Confident	76.7	Confident	161 Å²	161	83.4 Å²	83.4	71%	0.706	41%	0.409	S	S	*	.			trans	-63.7	130.4	-174.1	-63.7	-74.2	0	0	0	113.2	R117	F115-R117 PolarHBondContact O-N 3.33Å
116	K	68.8	Low	75.3	Confident	165 Å²	165	83.2 Å²	83.2	72%	0.717	41%	0.407	S	S	*	.	S	Bend	trans	-60.2	-26.4	-179.6	-170	172.9	-176.5	174.4	0	114.1	N72 T114	N72-K116 WeakPolarHBondContact OD1-CA 3.46Å; T114-K116 PolarHBondContact O-N 2.96Å
117	R	74.9	Confident	73.7	Confident	198 Å²	198	83.1 Å²	83.1	75%	0.747	41%	0.414	S	S	*	.	S	Bend	trans	-141.3	131.3	168.2	-69.6	-175.9	177.4	173.7	-0.1	108.8	V69 Y70 F115	V69-R117 HydrophobicContact CG1-CB 3.92Å; V69-R117 HydrophobicContact CG1-CG 4.1Å; Y70-R117 CarbonylContact O-C 3.59Å; Y70-R117 WeakPolarHBondContact O-CA 3.29Å; F115-R117 PolarHBondContact O-N 3.33Å
118	S	75.8	Confident	72.7	Confident	32 Å²	32	89.3 Å²	89.3	22%	0.224	44%	0.441	C	S	.	.	B	Isolated β-bridge	trans	-143.1	143.7	176.8	177.3	0	0	0	0	110.7	V69 Y70 L120	V69-S118 CarbonylContact C-O 3.46Å; V69-S118 WeakPolarHBondContact CA-O 3.12Å; Y70-S118 PolarHBondContact N-O 3Å; Y70-S118 PolarHBondContact O-N 2.83Å; S118-L120 WeakPolarHBondContact CB-O 3.49Å; S118-L120 PolarHBondContact OG-N 2.69Å; S118-L120 PolarHBondContact OG-O 2.78Å
119	T	73.2	Confident	72.2	Confident	88 Å²	88	86.3 Å²	86.3	54%	0.54	43%	0.427	S	S	.	.	S	Bend	trans	-84.3	-0.5	170.6	51	0	0	0	0	113
120	L	71.5	Confident	71.6	Confident	127 Å²	127	95.1 Å²	95.1	67%	0.665	46%	0.46	S	S	*	.	S	Bend	trans	-125.9	136	177.2	-62.1	174.5	0	0	0	110.1	Y70 S118	Y70-L120 VanDerWaalsContact CD2-C 3.41Å; S118-L120 WeakPolarHBondContact CB-O 3.49Å; S118-L120 PolarHBondContact OG-N 2.69Å; S118-L120 PolarHBondContact OG-O 2.78Å
121	S	76.1	Confident	71.2	Confident	56 Å²	56	98.9 Å²	98.9	39%	0.392	48%	0.482	S	S	.	.			trans	-64.2	148.3	170.5	176.8	0	0	0	0	110.7	Y70 Q140	Y70-S121 VanDerWaalsContact CD2-N 3.3Å; S121-Q140 PolarHBondContact OG-OE1 2.93Å
122	S	69.2	Low	71.2	Confident	25 Å²	25	99.2 Å²	99.2	18%	0.175	48%	0.484	C	S	.	.			trans	-66.3	135.2	-179.9	-161.2	0	0	0	0	111	H126	S122-H126 PolarHBondContact OG-CD2 3.44Å
123	R	61.8	Low	71.7	Confident	229 Å²	229	100.1 Å²	100.1	86%	0.864	49%	0.489	S	S	*	.			trans	-132	138.4	175.8	-65.9	-178.4	175.2	-173.3	-2.4	108.7
124	G	63.3	Low	72.3	Confident	34 Å²	34	94.3 Å²	94.3	35%	0.351	46%	0.464	S	S	.	.	S	Bend	trans	122.3	-140.7	-179.3	0	0	0	0	0	112.3	H126 T127	G124-H126 PolarHBondContact O-N 2.79Å; G124-H126 VanDerWaalsContact O-N 3.12Å; G124-T127 PolarHBondContact N-OG1 3.35Å; G124-T127 PolarHBondContact O-N 3.16Å; G124-T127 PolarHBondContact O-OG1 3.15Å
125	P	53.9	Low	72.9	Confident	89 Å²	89	94 Å²	94	58%	0.578	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-54.3	-34.6	-175.7	-29.2	36.7	0	0	0	114.6	T127 F128	P125-T127 PolarHBondContact O-N 3.47Å; P125-F128 HydrophobicContact CB-CD2 4.34Å; P125-F128 HydrophobicContact CB-CE2 4.48Å; P125-F128 WeakPolarHBondContact O-CB 3.41Å; P125-F128 WeakPolarHBondContact O-CD2 3.33Å; P125-F128 PolarHBondContact O-N 2.88Å
126	H	60.1	Low	73.7	Confident	39 Å²	39	91.8 Å²	91.8	18%	0.181	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-66.9	-0.3	178	-49.9	-43.3	0	0	0	114.7	W74 Y94 H111 S122 G124	W74-H126 HydrophobicContact CZ2-CB 4.38Å; Y94-H126 WeakPolarHBondContact OH-CA 3.39Å; Y94-H126 WeakPolarHBondContact OH-CB 3.29Å; Y94-H126 PolarHBondContact OH-O 2.88Å; H111-H126 AromaticContact CD2-ND1 3.85Å; H111-H126 AromaticContact CE1-CE1 3Å; H111-H126 PolarHBondContact CE1-CE1 3.01Å; H111-H126 AromaticContact CE1-ND1 3.51Å; H111-H126 AromaticContact CE1-NE2 3.77Å; H111-H126 AromaticContact ND1-CE1 3.61Å; H111-H126 AromaticContact ND1-ND1 3.84Å; H111-H126 AromaticContact NE2-CE1 3.3Å; H111-H126 PolarHBondContact NE2-CE1 2.87Å; H111-H126 VanDerWaalsContact NE2-CE1 3.3Å; H111-H126 AromaticContact NE2-ND1 3.49Å; H111-H126 PolarHBondContact NE2-ND1 2.93Å; S122-H126 PolarHBondContact OG-CD2 3.44Å; G124-H126 PolarHBondContact O-N 2.79Å; G124-H126 VanDerWaalsContact O-N 3.12Å
127	T	58.4	Low	74.7	Confident	69 Å²	69	88.9 Å²	88.9	42%	0.423	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-99.8	-10.9	170.1	9.3	0	0	0	0	113.6	G124 P125 L129 R130	G124-T127 PolarHBondContact N-OG1 3.35Å; G124-T127 PolarHBondContact O-N 3.16Å; G124-T127 PolarHBondContact O-OG1 3.15Å; P125-T127 PolarHBondContact O-N 3.47Å; T127-L129 VanDerWaalsContact C-N 3.29Å; T127-L129 PolarHBondContact O-N 2.87Å; T127-R130 WeakPolarHBondContact O-CB 3.25Å; T127-R130 PolarHBondContact O-N 3.06Å
128	F	70.3	Confident	75.3	Confident	132 Å²	132	81.1 Å²	81.1	58%	0.579	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-69.6	-23.9	177.4	-66.6	-52.7	0	0	0	113.6	P125 R130 M131	P125-F128 HydrophobicContact CB-CD2 4.34Å; P125-F128 HydrophobicContact CB-CE2 4.48Å; P125-F128 WeakPolarHBondContact O-CB 3.41Å; P125-F128 WeakPolarHBondContact O-CD2 3.33Å; P125-F128 PolarHBondContact O-N 2.88Å; F128-R130 PolarHBondContact O-N 3.36Å; F128-R130 VanDerWaalsContact O-N 3.14Å; F128-M131 WeakPolarHBondContact O-CA 3.25Å; F128-M131 VanDerWaalsContact O-CB 3.32Å; F128-M131 WeakPolarHBondContact O-CB 3.5Å; F128-M131 PolarHBondContact O-N 2.85Å
129	L	79.3	Confident	75.9	Confident	0 Å²	0	83.8 Å²	83.8	0%	0	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-54.8	-31.2	171.8	178.8	63.8	0	0	0	112.4	V76 V88 H92 Y94 F109 T127 M131 D132 V135 L138	V76-L129 HydrophobicContact CG1-CD2 4.41Å; V76-L129 HydrophobicContact CG2-CD2 4.25Å; V88-L129 HydrophobicContact CG1-CD1 3.61Å; H92-L129 HydrophobicContact CB-CB 4.31Å; H92-L129 HydrophobicContact CB-CD1 4.05Å; Y94-L129 HydrophobicContact CD2-CD2 4.04Å; Y94-L129 HydrophobicContact CE1-CD2 4.25Å; Y94-L129 HydrophobicContact CE2-CB 4.11Å; Y94-L129 HydrophobicContact CE2-CD2 3.78Å; Y94-L129 HydrophobicContact CE2-CG 4.47Å; Y94-L129 HydrophobicContact CG-CD2 4.42Å; F109-L129 HydrophobicContact CD2-CD1 4.43Å; F109-L129 HydrophobicContact CD2-CD2 3.76Å; F109-L129 HydrophobicContact CE2-CD1 4.02Å; F109-L129 HydrophobicContact CE2-CD2 4.15Å; T127-L129 VanDerWaalsContact C-N 3.29Å; T127-L129 PolarHBondContact O-N 2.87Å; L129-M131 PolarHBondContact O-N 2.83Å; L129-D132 PolarHBondContact O-N 2.88Å; L129-V135 HydrophobicContact CD1-CG2 3.8Å; L129-V135 HydrophobicContact CG-CG2 4.26Å; L129-V135 VanDerWaalsContact O-CB 3.3Å; L129-V135 WeakPolarHBondContact O-CB 3.38Å; L129-V135 WeakPolarHBondContact O-CG1 3.37Å; L129-V135 WeakPolarHBondContact O-CG2 3.32Å; L129-L138 HydrophobicContact CB-CD2 4.16Å; L129-L138 HydrophobicContact CD2-CD1 3.73Å; L129-L138 HydrophobicContact CD2-CD2 4.19Å; L129-L138 HydrophobicContact CG-CD1 4.41Å; L129-L138 HydrophobicContact CG-CD2 4.22Å
130	R	79.3	Confident	76.6	Confident	184 Å²	184	80.4 Å²	80.4	69%	0.694	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-70.2	-15.5	175.1	-179.1	173.8	169.3	-168.6	-4.9	113.7	T127 F128 L138	T127-R130 WeakPolarHBondContact O-CB 3.25Å; T127-R130 PolarHBondContact O-N 3.06Å; F128-R130 PolarHBondContact O-N 3.36Å; F128-R130 VanDerWaalsContact O-N 3.14Å; R130-L138 HydrophobicContact CB-CD2 3.98Å
131	M	79.1	Confident	77.4	Confident	149 Å²	149	77.5 Å²	77.5	73%	0.734	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-95.4	-5.5	-179.6	-52.6	-64.3	-69.3	0	0	112.4	F128 L129	F128-M131 WeakPolarHBondContact O-CA 3.25Å; F128-M131 VanDerWaalsContact O-CB 3.32Å; F128-M131 WeakPolarHBondContact O-CB 3.5Å; F128-M131 PolarHBondContact O-N 2.85Å; L129-M131 PolarHBondContact O-N 2.83Å
132	D	84.8	Confident	77.9	Confident	19 Å²	19	77.2 Å²	77.2	10%	0.102	37%	0.372	C	S	.	.	S	Bend	trans	-68.8	130.1	174.6	-166.8	-68.7	0	0	0	110	H92 L129 Q134 V135	H92-D132 IonicContact CD2-OD2 3.7Å; H92-D132 IonicContact CE1-OD2 3.94Å; H92-D132 IonicContact NE2-OD2 2.87Å; H92-D132 PolarHBondContact NE2-OD2 2.86Å; L129-D132 PolarHBondContact O-N 2.88Å; D132-Q134 PolarHBondContact O-N 3.34Å; D132-Q134 VanDerWaalsContact O-N 3.08Å; D132-Q134 PolarHBondContact OD1-N 2.86Å; D132-V135 HydrophobicContact CB-CB 4.25Å; D132-V135 HydrophobicContact CB-CG2 3.88Å; D132-V135 PolarHBondContact O-N 3.07Å
133	P	84.1	Confident	78.1	Confident	103 Å²	103	80 Å²	80	67%	0.669	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.4	-174.9	24.8	-35.2	0	0	0	113.9	K136	P133-K136 PolarHBondContact O-NZ 3.34Å
134	Q	85.9	Confident	78.3	Confident	62 Å²	62	75 Å²	75	29%	0.29	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-23.3	176.8	-54.2	-67	31.4	0	0	113.2	V78 L79 E84 V88 D132 K136	V78-Q134 HydrophobicContact CG1-CB 3.82Å; L79-Q134 PolarHBondContact N-O 2.95Å; E84-Q134 HydrophobicContact CG-CG 4.15Å; E84-Q134 VanDerWaalsContact OE1-CG 3.31Å; E84-Q134 WeakPolarHBondContact OE1-CG 3.29Å; E84-Q134 PolarHBondContact OE1-NE2 3.37Å; V88-Q134 HydrophobicContact CG2-CB 4.22Å; V88-Q134 HydrophobicContact CG2-CG 4.41Å; D132-Q134 PolarHBondContact O-N 3.34Å; D132-Q134 VanDerWaalsContact O-N 3.08Å; D132-Q134 PolarHBondContact OD1-N 2.86Å; Q134-K136 PolarHBondContact O-N 2.82Å
135	V	88.8	Confident	78.1	Confident	12 Å²	12	84.5 Å²	84.5	7%	0.073	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	100.6	-178.3	176	0	0	0	0	109.8	V76 Q77 V78 V88 L129 D132 L138	V76-V135 HydrophobicContact CG1-CG1 3.77Å; V76-V135 HydrophobicContact CG1-CG2 4.03Å; Q77-V135 CarbonylContact O-C 3.53Å; Q77-V135 VanDerWaalsContact O-CA 3.3Å; Q77-V135 WeakPolarHBondContact O-CA 3.44Å; V78-V135 HydrophobicContact CG2-CG2 4.19Å; V88-V135 HydrophobicContact CG1-CG2 3.69Å; L129-V135 HydrophobicContact CD1-CG2 3.8Å; L129-V135 HydrophobicContact CG-CG2 4.26Å; L129-V135 VanDerWaalsContact O-CB 3.3Å; L129-V135 WeakPolarHBondContact O-CB 3.38Å; L129-V135 WeakPolarHBondContact O-CG1 3.37Å; L129-V135 WeakPolarHBondContact O-CG2 3.32Å; D132-V135 HydrophobicContact CB-CB 4.25Å; D132-V135 HydrophobicContact CB-CG2 3.88Å; D132-V135 PolarHBondContact O-N 3.07Å; V135-L138 HydrophobicContact CG1-CB 4.27Å
136	K	89.1	Confident	78.2	Confident	115 Å²	115	91 Å²	91	50%	0.5	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-25.1	178.6	-54.5	-49.7	-178.4	-165.7	0	112.8	Q77 L79 P133 Q134	Q77-K136 PolarHBondContact O-N 2.84Å; L79-K136 HydrophobicContact CD1-CD 4.28Å; L79-K136 HydrophobicContact CD1-CG 3.94Å; L79-K136 HydrophobicContact CD2-CG 4.23Å; L79-K136 HydrophobicContact CG-CG 3.79Å; P133-K136 PolarHBondContact O-NZ 3.34Å; Q134-K136 PolarHBondContact O-N 2.82Å
137	W	89.8	Confident	77.8	Confident	104 Å²	104	94.9 Å²	94.9	39%	0.394	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	147.8	-178.8	-178.9	87.6	0	0	0	111.5	A75 V76 Q77 Y106 Q139	A75-W137 HydrophobicContact CB-CH2 4.09Å; A75-W137 HydrophobicContact CB-CZ3 3.65Å; A75-W137 WeakPolarHBondContact O-CZ3 3.42Å; V76-W137 CarbonylContact C-O 3.36Å; V76-W137 WeakPolarHBondContact CA-O 3.17Å; Q77-W137 HydrophobicContact CB-CB 3.87Å; Q77-W137 PolarHBondContact N-O 3.12Å; Y106-W137 HydrophobicContact CD1-CE3 4.27Å; Y106-W137 HydrophobicContact CD1-CZ3 4.41Å; Y106-W137 AromaticContact CE1-CE3 3.96Å; Y106-W137 HydrophobicContact CE1-CE3 3.96Å; Y106-W137 HydrophobicContact CE1-CZ3 4.36Å; W137-Q139 HydrophobicContact CH2-CB 3.45Å; W137-Q139 VanDerWaalsContact CH2-CB 3.45Å; W137-Q139 HydrophobicContact CH2-CG 4.45Å; W137-Q139 HydrophobicContact CZ2-CB 3.46Å; W137-Q139 VanDerWaalsContact CZ2-CB 3.46Å; W137-Q139 HydrophobicContact CZ2-CG 4.35Å; W137-Q139 HydrophobicContact CZ3-CB 4.14Å
138	L	88.1	Confident	76.8	Confident	36 Å²	36	100.9 Å²	100.9	19%	0.188	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	127.5	-178.7	178.8	64.2	0	0	0	110.5	W74 V76 L129 R130 V135	W74-L138 HydrophobicContact CB-CD1 3.98Å; W74-L138 HydrophobicContact CG-CD1 4.08Å; V76-L138 HydrophobicContact CB-CD1 4.3Å; V76-L138 HydrophobicContact CG1-CD1 4.11Å; V76-L138 HydrophobicContact CG2-CD1 3.64Å; L129-L138 HydrophobicContact CB-CD2 4.16Å; L129-L138 HydrophobicContact CD2-CD1 3.73Å; L129-L138 HydrophobicContact CD2-CD2 4.19Å; L129-L138 HydrophobicContact CG-CD1 4.41Å; L129-L138 HydrophobicContact CG-CD2 4.22Å; R130-L138 HydrophobicContact CB-CD2 3.98Å; V135-L138 HydrophobicContact CG1-CB 4.27Å
139	Q	87.1	Confident	75.6	Confident	87 Å²	87	106 Å²	106	41%	0.407	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	120.8	171.9	-175.8	174.5	35.8	0	0	112.4	W74 A75 W137 Q141	W74-Q139 WeakPolarHBondContact CA-O 3.47Å; A75-Q139 PolarHBondContact N-O 3.39Å; A75-Q139 PolarHBondContact O-N 3.46Å; W137-Q139 HydrophobicContact CH2-CB 3.45Å; W137-Q139 VanDerWaalsContact CH2-CB 3.45Å; W137-Q139 HydrophobicContact CH2-CG 4.45Å; W137-Q139 HydrophobicContact CZ2-CB 3.46Å; W137-Q139 VanDerWaalsContact CZ2-CB 3.46Å; W137-Q139 HydrophobicContact CZ2-CG 4.35Å; W137-Q139 HydrophobicContact CZ3-CB 4.14Å; Q139-Q141 PolarHBondContact O-N 2.9Å; Q139-Q141 PolarHBondContact O-NE2 3.5Å
140	Q	88.8	Confident	73.7	Confident	17 Å²	17	112.9 Å²	112.9	8%	0.079	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	130	166.7	-167.9	176.6	9.9	0	0	109.7	Y70 T71 W74 S121 E142	Y70-Q140 HydrophobicContact CD1-CB 4.43Å; Y70-Q140 HydrophobicContact CD1-CG 4.28Å; T71-Q140 WeakPolarHBondContact O-CG 3.49Å; T71-Q140 PolarHBondContact O-NE2 2.78Å; W74-Q140 VanDerWaalsContact CD1-CA 3.45Å; W74-Q140 HydrophobicContact CD2-CG 4.25Å; W74-Q140 HydrophobicContact CG-CB 4.4Å; W74-Q140 HydrophobicContact CZ2-CG 4Å; S121-Q140 PolarHBondContact OG-OE1 2.93Å; Q140-E142 PolarHBondContact O-N 3.01Å
141	Q	88.3	Confident	71.6	Confident	66 Å²	66	110.2 Å²	110.2	31%	0.308	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	125.8	-171.3	-64.2	-57	-66.3	0	0	111.9	T71 H73 Q139	T71-Q141 PolarHBondContact N-O 3.33Å; T71-Q141 PolarHBondContact OG1-O 2.95Å; H73-Q141 HydrophobicContact CB-CB 4.3Å; H73-Q141 HydrophobicContact CB-CG 4.34Å; H73-Q141 WeakPolarHBondContact O-CB 3.25Å; H73-Q141 PolarHBondContact O-N 2.83Å; Q139-Q141 PolarHBondContact O-N 2.9Å; Q139-Q141 PolarHBondContact O-NE2 3.5Å
142	E	86.1	Confident	69.8	Low	50 Å²	50	115.2 Å²	115.2	23%	0.234	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	140.1	177.7	-70	178.1	-172.6	0	0	111.3	P68 V69 Y70 Q140 K144	P68-E142 HydrophobicContact CB-CG 4.34Å; V69-E142 CarbonylContact O-C 3.58Å; V69-E142 WeakPolarHBondContact O-CA 3.39Å; Y70-E142 HydrophobicContact CD1-CG 3.66Å; Y70-E142 HydrophobicContact CE1-CG 3.35Å; Y70-E142 WeakPolarHBondContact CE1-OE1 3.49Å; Y70-E142 HydrophobicContact CG-CG 4.49Å; Y70-E142 PolarHBondContact OH-OE1 2.79Å; Q140-E142 PolarHBondContact O-N 3.01Å; E142-K144 HydrophobicContact CB-CD 4.38Å; E142-K144 PolarHBondContact O-N 3.47Å; E142-K144 IonicContact OE2-NZ 2.67Å; E142-K144 PolarHBondContact OE2-NZ 3.08Å
143	V	73.6	Confident	67.5	Low	83 Å²	83	119 Å²	119	50%	0.503	55%	0.547	S	S	.	.			trans	-69.5	96.3	174.3	-175.5	0	0	0	0	109.9	V69 T71	V69-V143 HydrophobicContact CB-CB 4.25Å; V69-V143 HydrophobicContact CB-CG2 4.23Å; V69-V143 HydrophobicContact CG1-CG2 4.11Å; V69-V143 PolarHBondContact O-N 2.84Å; T71-V143 HydrophobicContact CG2-CG2 3.65Å
144	K	66.9	Low	65.4	Low	125 Å²	125	119 Å²	119	54%	0.543	54%	0.542	S	S	.	.			trans	-83.4	119	175	-56.6	-55.8	-173.1	-178.9	0	110.8	E142 R146	E142-K144 HydrophobicContact CB-CD 4.38Å; E142-K144 PolarHBondContact O-N 3.47Å; E142-K144 IonicContact OE2-NZ 2.67Å; E142-K144 PolarHBondContact OE2-NZ 3.08Å; K144-R146 PolarHBondContact O-N 2.92Å
145	R	59.2	Low	63.4	Low	233 Å²	233	122.8 Å²	122.8	88%	0.879	57%	0.572	S	S	*	*			trans	-64.2	104.1	170.3	-174.4	177.7	75.2	168.7	2.9	110
146	R	56.1	Low	61.6	Low	225 Å²	225	129 Å²	129	85%	0.849	60%	0.6	S	S	*	*			trans	-105	127.7	173.6	-62.4	-170.7	-175	-140.9	3.4	109.9	K144	K144-R146 PolarHBondContact O-N 2.92Å
147	V	51.8	Low	60.1	Low	122 Å²	122	126.5 Å²	126.5	74%	0.739	60%	0.601	S	S	*	*			trans	-106	142.5	169.7	-177.1	0	0	0	0	107.8	R149	V147-R149 PolarHBondContact O-N 3.16Å; V147-R149 VanDerWaalsContact O-N 3.11Å
148	K	36.7	Very low	59.3	Low	195 Å²	195	124.2 Å²	124.2	85%	0.848	60%	0.596	S	S	*	*			trans	-63.6	111.9	178	-172	178.1	-177.1	-178.9	0	109	Q150	K148-Q150 PolarHBondContact O-N 3.19Å; K148-Q150 VanDerWaalsContact O-N 3.13Å
149	R	45.7	Very low	58.9	Low	240 Å²	240	129.6 Å²	129.6	91%	0.906	62%	0.615	S	S	*	*			trans	-63.5	113.6	171.9	-66.1	-179.7	-178.7	170.6	-0.7	107.8	V147	V147-R149 PolarHBondContact O-N 3.16Å; V147-R149 VanDerWaalsContact O-N 3.11Å
150	Q	38.9	Very low	59	Low	143 Å²	143	125.8 Å²	125.8	67%	0.668	60%	0.597	S	S	*	*			trans	-67	136.7	172.9	-73.1	176.6	-16.1	0	0	109.5	K148	K148-Q150 PolarHBondContact O-N 3.19Å; K148-Q150 VanDerWaalsContact O-N 3.13Å
151	V	35.6	Very low	59.1	Low	129 Å²	129	127.9 Å²	127.9	78%	0.782	61%	0.609	S	S	*	*			trans	-68.9	143.5	163.7	177.5	0	0	0	0	107.2	S153	V151-S153 PolarHBondContact O-N 2.64Å
152	R	40.6	Very low	59.4	Low	254 Å²	254	125 Å²	125	96%	0.958	60%	0.596	S	S	*	*			trans	-64.4	96.6	172.4	-81.7	-177.3	168.6	177.5	-4.8	109.8
153	S	36.7	Very low	59.6	Low	97 Å²	97	126.5 Å²	126.5	68%	0.678	61%	0.61	S	S	*	*			trans	-101.8	126.2	172.7	52.9	0	0	0	0	110.5	V151	V151-S153 PolarHBondContact O-N 2.64Å
154	D	40	Very low	60.5	Low	104 Å²	104	124.2 Å²	124.2	56%	0.556	59%	0.594	S	S	*	*			trans	39	108.1	160.2	-160.6	-19.8	0	0	0	118.4	Q156 A157	D154-Q156 PolarHBondContact O-N 3.29Å; D154-Q156 PolarHBondContact OD1-N 2.7Å; D154-A157 PolarHBondContact O-N 3.28Å
155	P	43.6	Very low	61.6	Low	141 Å²	141	119.3 Å²	119.3	92%	0.916	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-0	176.8	31.1	-36.2	0	0	0	115
156	Q	51	Low	62.9	Low	143 Å²	143	112 Å²	112	67%	0.668	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	5.8	174	-61.4	-168.6	-6	0	0	114.5	D154 L158 K191	D154-Q156 PolarHBondContact O-N 3.29Å; D154-Q156 PolarHBondContact OD1-N 2.7Å; Q156-L158 PolarHBondContact O-N 3.11Å; Q156-K191 WeakPolarHBondContact O-CE 3.38Å; Q156-K191 PolarHBondContact O-NZ 2.98Å
157	A	58	Low	64.4	Low	62 Å²	62	105.2 Å²	105.2	51%	0.512	54%	0.537	S	S	.	.			trans	-79.4	114.1	172.3	0	0	0	0	0	110.8	D154 Y159	D154-A157 PolarHBondContact O-N 3.28Å; A157-Y159 PolarHBondContact O-N 3.29Å; A157-Y159 VanDerWaalsContact O-N 3.08Å
158	L	72.4	Confident	66.3	Low	56 Å²	56	99.5 Å²	99.5	29%	0.293	50%	0.503	S	S	.	.			trans	-68.9	104.9	166.9	-71.9	179.9	0	0	0	108.4	Q156 F160 W190 K191	Q156-L158 PolarHBondContact O-N 3.11Å; L158-F160 HydrophobicContact CB-CE2 3.97Å; L158-W190 HydrophobicContact CD1-CB 3.75Å; L158-W190 HydrophobicContact CD1-CE3 4.01Å; L158-K191 HydrophobicContact CD1-CG 3.91Å; L158-K191 HydrophobicContact CG-CG 4.13Å
159	Y	79.5	Confident	68.8	Low	150 Å²	150	90.6 Å²	90.6	59%	0.588	46%	0.464	S	S	*	.			trans	-103.8	115.6	176.4	-178.7	-104	0	0	0	109.8	A157	A157-Y159 PolarHBondContact O-N 3.29Å; A157-Y159 VanDerWaalsContact O-N 3.08Å
160	F	89.5	Confident	70.9	Confident	7 Å²	7	79.3 Å²	79.3	3%	0.031	42%	0.421	C	S	.	.			trans	-97.2	140.6	170.6	-66.7	-87	0	0	0	108.8	L158 D162 W165 W190 A258 N259 V265 Y269	L158-F160 HydrophobicContact CB-CE2 3.97Å; F160-D162 WeakPolarHBondContact CB-OD2 3.14Å; F160-D162 PolarHBondContact O-N 2.95Å; F160-W165 HydrophobicContact CB-CB 4.37Å; F160-W165 HydrophobicContact CB-CD2 4.07Å; F160-W165 HydrophobicContact CB-CG 3.88Å; F160-W165 AromaticContact CD2-CD2 3.96Å; F160-W165 HydrophobicContact CD2-CD2 3.96Å; F160-W165 AromaticContact CD2-CE2 3.61Å; F160-W165 HydrophobicContact CD2-CE3 4.26Å; F160-W165 HydrophobicContact CD2-CH2 4.03Å; F160-W165 AromaticContact CD2-CZ2 3.64Å; F160-W165 HydrophobicContact CD2-CZ2 3.64Å; F160-W165 HydrophobicContact CD2-CZ3 4.3Å; F160-W165 HydrophobicContact CE2-CH2 4.13Å; F160-W165 HydrophobicContact CE2-CZ2 4.04Å; F160-W165 HydrophobicContact CG-CD2 4.35Å; F160-W190 HydrophobicContact CD2-CZ3 4.38Å; F160-W190 AromaticContact CE2-CE3 3.76Å; F160-W190 HydrophobicContact CE2-CE3 3.76Å; F160-W190 HydrophobicContact CE2-CH2 4.4Å; F160-W190 AromaticContact CE2-CZ3 3.43Å; F160-W190 HydrophobicContact CE2-CZ3 3.43Å; F160-W190 VanDerWaalsContact CE2-CZ3 3.43Å; F160-W190 AromaticContact CZ-CE3 3.74Å; F160-W190 HydrophobicContact CZ-CE3 3.74Å; F160-W190 HydrophobicContact CZ-CH2 4.35Å; F160-W190 AromaticContact CZ-CZ3 3.61Å; F160-W190 HydrophobicContact CZ-CZ3 3.61Å; F160-A258 HydrophobicContact CD1-CB 3.85Å; F160-A258 HydrophobicContact CE1-CB 3.64Å; F160-N259 WeakPolarHBondContact CA-OD1 3.36Å; F160-N259 VanDerWaalsContact CD1-ND2 3.32Å; F160-N259 WeakPolarHBondContact CD1-ND2 3.48Å; F160-V265 HydrophobicContact CB-CG2 3.94Å; F160-V265 HydrophobicContact CD1-CG1 4.1Å; F160-V265 HydrophobicContact CD1-CG2 3.69Å; F160-V265 HydrophobicContact CE1-CG1 3.9Å; F160-V265 HydrophobicContact CE1-CG2 4.35Å; F160-V265 HydrophobicContact CG-CG2 3.8Å; F160-V265 HydrophobicContact CZ-CG1 4.29Å; F160-Y269 HydrophobicContact CE1-CE1 4.08Å; F160-Y269 AromaticContact CZ-CE1 3.96Å; F160-Y269 HydrophobicContact CZ-CE1 3.96Å
161	N	90.8	Very high	73.3	Confident	61 Å²	61	72.6 Å²	72.6	33%	0.326	39%	0.39	S	S	.	.			trans	-84.7	-0.8	-179.1	70.9	40	0	0	0	113.3	N259 S261	N161-N259 PolarHBondContact N-OD1 2.89Å; N161-N259 PolarHBondContact ND2-O 3.1Å; N161-N259 VanDerWaalsContact OD1-C 3.23Å; N161-N259 WeakPolarHBondContact OD1-CA 3.48Å; N161-N259 PolarHBondContact OD1-O 2.87Å; N161-S261 WeakPolarHBondContact OD1-CA 3.33Å; N161-S261 PolarHBondContact OD1-N 3.06Å; N161-S261 PolarHBondContact OD1-OG 2.94Å
162	D	94.3	Very high	75.5	Confident	6 Å²	6	67.5 Å²	67.5	3%	0.032	36%	0.358	C	S	.	.			trans	-77.6	131.9	-169.6	-46.9	-60.5	0	0	0	111.2	F160 I164 W165 N259 N260 S261 V265	F160-D162 WeakPolarHBondContact CB-OD2 3.14Å; F160-D162 PolarHBondContact O-N 2.95Å; D162-I164 VanDerWaalsContact C-N 3.34Å; D162-I164 PolarHBondContact O-N 2.76Å; D162-W165 WeakPolarHBondContact O-CB 3.44Å; D162-W165 PolarHBondContact O-N 3.13Å; D162-W165 VanDerWaalsContact O-N 3.09Å; D162-N259 VanDerWaalsContact CG-N 3.32Å; D162-N259 VanDerWaalsContact OD1-C 3.32Å; D162-N259 VanDerWaalsContact OD1-CA 3.23Å; D162-N259 WeakPolarHBondContact OD1-CA 3.35Å; D162-N259 PolarHBondContact OD1-N 3.36Å; D162-N259 VanDerWaalsContact OD1-N 3.14Å; D162-N259 WeakPolarHBondContact OD2-CA 3.25Å; D162-N259 PolarHBondContact OD2-N 3.03Å; D162-N260 PolarHBondContact OD1-N 3.03Å; D162-N260 PolarHBondContact OD1-OD1 3.44Å; D162-N260 VanDerWaalsContact OD1-OD1 3.12Å; D162-S261 PolarHBondContact OD1-N 2.97Å; D162-V265 HydrophobicContact CB-CG2 4.19Å; D162-V265 WeakPolarHBondContact OD2-CG2 3.25Å
163	P	90.9	Very high	76.8	Confident	81 Å²	81	57.5 Å²	57.5	53%	0.526	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-25.2	-156.9	24.5	-35.4	0	0	0	115.2	Y262	P163-Y262 VanDerWaalsContact CD-C 3.44Å
164	I	91.5	Very high	77.7	Confident	35 Å²	35	56 Å²	56	18%	0.179	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	0.6	-179.1	-49.7	175.6	0	0	0	110.8	D162 S166 N167 C263 I264 V404 C412	D162-I164 VanDerWaalsContact C-N 3.34Å; D162-I164 PolarHBondContact O-N 2.76Å; I164-S166 PolarHBondContact O-N 2.97Å; I164-S166 VanDerWaalsContact O-N 3.11Å; I164-N167 HydrophobicContact CG2-CB 3.92Å; I164-N167 WeakPolarHBondContact O-CB 3.32Å; I164-N167 PolarHBondContact O-N 3.07Å; I164-C263 VanDerWaalsContact CB-O 3.23Å; I164-C263 WeakPolarHBondContact CB-O 3.43Å; I164-C263 PolarHBondContact N-O 3.39Å; I164-I264 HydrophobicContact CB-CG2 3.92Å; I164-I264 HydrophobicContact CG2-CG2 4.12Å; I164-V404 HydrophobicContact CG2-CB 3.77Å; I164-V404 HydrophobicContact CG2-CG1 3.75Å; I164-V404 HydrophobicContact CG2-CG2 4.03Å; I164-C412 HydrophobicContact CD1-CB 3.3Å
165	W	90.6	Very high	78.3	Confident	21 Å²	21	56.7 Å²	56.7	8%	0.08	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-47.6	-44.2	177.3	170.9	-124	0	0	0	112.5	F160 D162 N167 M168 L171 H172 Q187 W190 V265	F160-W165 HydrophobicContact CB-CB 4.37Å; F160-W165 HydrophobicContact CB-CD2 4.07Å; F160-W165 HydrophobicContact CB-CG 3.88Å; F160-W165 AromaticContact CD2-CD2 3.96Å; F160-W165 HydrophobicContact CD2-CD2 3.96Å; F160-W165 AromaticContact CD2-CE2 3.61Å; F160-W165 HydrophobicContact CD2-CE3 4.26Å; F160-W165 HydrophobicContact CD2-CH2 4.03Å; F160-W165 AromaticContact CD2-CZ2 3.64Å; F160-W165 HydrophobicContact CD2-CZ2 3.64Å; F160-W165 HydrophobicContact CD2-CZ3 4.3Å; F160-W165 HydrophobicContact CE2-CH2 4.13Å; F160-W165 HydrophobicContact CE2-CZ2 4.04Å; F160-W165 HydrophobicContact CG-CD2 4.35Å; D162-W165 WeakPolarHBondContact O-CB 3.44Å; D162-W165 PolarHBondContact O-N 3.13Å; D162-W165 VanDerWaalsContact O-N 3.09Å; W165-N167 PolarHBondContact O-N 2.85Å; W165-M168 HydrophobicContact CE3-CB 4.19Å; W165-M168 HydrophobicContact CE3-CG 4.16Å; W165-M168 HydrophobicContact CE3-SD 3.72Å; W165-M168 HydrophobicContact CZ3-CB 4.31Å; W165-M168 HydrophobicContact CZ3-SD 4.16Å; W165-M168 WeakPolarHBondContact O-CB 3.11Å; W165-M168 WeakPolarHBondContact O-CG 3.18Å; W165-M168 PolarHBondContact O-N 2.96Å; W165-M168 VanDerWaalsContact O-N 3.1Å; W165-L171 HydrophobicContact CZ3-CB 4.28Å; W165-L171 HydrophobicContact CZ3-CD1 4.29Å; W165-H172 AromaticContact CD2-NE2 3.85Å; W165-H172 AromaticContact CE2-CD2 3.79Å; W165-H172 AromaticContact CE2-NE2 3.72Å; W165-H172 HydrophobicContact CH2-CB 4.19Å; W165-H172 AromaticContact CH2-CD2 3.37Å; W165-H172 WeakPolarHBondContact CH2-CD2 3.46Å; W165-H172 AromaticContact CH2-CG 3.91Å; W165-H172 HydrophobicContact CZ2-CB 4.28Å; W165-H172 AromaticContact CZ2-CD2 3.47Å; W165-H172 VanDerWaalsContact CZ2-CD2 3.47Å; W165-H172 WeakPolarHBondContact CZ2-CD2 3.15Å; W165-H172 AromaticContact CZ2-CG 3.78Å; W165-H172 AromaticContact CZ2-NE2 3.89Å; W165-H172 AromaticContact CZ3-CD2 3.67Å; W165-H172 PolarHBondContact O-NE2 3.04Å; W165-Q187 HydrophobicContact CH2-CG 4.42Å; W165-Q187 VanDerWaalsContact CZ2-NE2 3.33Å; W165-W190 HydrophobicContact CH2-CH2 4.15Å; W165-W190 AromaticContact CH2-CZ3 3.57Å; W165-W190 HydrophobicContact CH2-CZ3 3.57Å; W165-W190 AromaticContact CZ3-CH2 3.96Å; W165-W190 HydrophobicContact CZ3-CH2 3.96Å; W165-W190 AromaticContact CZ3-CZ3 3.84Å; W165-W190 HydrophobicContact CZ3-CZ3 3.84Å; W165-V265 HydrophobicContact CE3-CB 4.29Å; W165-V265 HydrophobicContact CE3-CG2 4.14Å; W165-V265 HydrophobicContact CZ3-CB 4.5Å
166	S	86.6	Confident	78.4	Confident	81 Å²	81	59.9 Å²	59.9	57%	0.566	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-56.8	-20.9	178.4	50.3	0	0	0	0	115.1	I164	I164-S166 PolarHBondContact O-N 2.97Å; I164-S166 VanDerWaalsContact O-N 3.11Å
167	N	88.6	Confident	78.2	Confident	81 Å²	81	61.3 Å²	61.3	43%	0.433	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-98.3	-7.1	-174.6	-59.4	30.2	0	0	0	112.3	I164 W165 W169 V404	I164-N167 HydrophobicContact CG2-CB 3.92Å; I164-N167 WeakPolarHBondContact O-CB 3.32Å; I164-N167 PolarHBondContact O-N 3.07Å; W165-N167 PolarHBondContact O-N 2.85Å; N167-W169 PolarHBondContact O-N 2.98Å; N167-V404 HydrophobicContact CB-CG1 4.19Å
168	M	91.1	Very high	77.8	Confident	2 Å²	2	61 Å²	61	1%	0.01	34%	0.335	C	S	.	.			trans	-74.9	59.3	-179.6	-54.6	-161.4	81.4	0	0	112.8	W165 Y170 L171 H172 I264 V265 V404	W165-M168 HydrophobicContact CE3-CB 4.19Å; W165-M168 HydrophobicContact CE3-CG 4.16Å; W165-M168 HydrophobicContact CE3-SD 3.72Å; W165-M168 HydrophobicContact CZ3-CB 4.31Å; W165-M168 HydrophobicContact CZ3-SD 4.16Å; W165-M168 WeakPolarHBondContact O-CB 3.11Å; W165-M168 WeakPolarHBondContact O-CG 3.18Å; W165-M168 PolarHBondContact O-N 2.96Å; W165-M168 VanDerWaalsContact O-N 3.1Å; M168-Y170 HydrophobicContact CE-CE2 4.02Å; M168-Y170 WeakPolarHBondContact CE-OH 3.31Å; M168-Y170 PolarHBondContact O-N 3.48Å; M168-Y170 VanDerWaalsContact O-N 3.1Å; M168-L171 HydrophobicContact CB-CB 4.39Å; M168-L171 HydrophobicContact CB-CD1 4.41Å; M168-L171 HydrophobicContact CB-CG 4.39Å; M168-L171 HydrophobicContact CE-CD1 3.67Å; M168-L171 HydrophobicContact CE-CG 4.47Å; M168-L171 PolarHBondContact O-N 2.91Å; M168-L171 HydrophobicContact SD-CD1 4.13Å; M168-H172 PolarHBondContact O-CD2 3.49Å; M168-H172 VanDerWaalsContact O-CD2 3.32Å; M168-H172 PolarHBondContact O-N 3.08Å; M168-H172 VanDerWaalsContact O-N 3.12Å; M168-I264 HydrophobicContact CE-CB 3.82Å; M168-I264 HydrophobicContact CE-CD1 3.9Å; M168-I264 HydrophobicContact CE-CG1 4.5Å; M168-I264 HydrophobicContact CE-CG2 4.27Å; M168-I264 HydrophobicContact SD-CB 3.78Å; M168-I264 HydrophobicContact SD-CG2 4.24Å; M168-V265 VanDerWaalsContact CE-O 3.31Å; M168-V265 WeakPolarHBondContact CE-O 3.49Å; M168-V265 HydrophobicContact SD-CB 4.31Å; M168-V265 PolarHBondContact SD-N 3.26Å; M168-V265 VanDerWaalsContact SD-N 3.39Å; M168-V404 HydrophobicContact CB-CG2 4.37Å; M168-V404 HydrophobicContact CE-CG2 4.36Å; M168-V404 HydrophobicContact CG-CG2 3.65Å
169	W	88.5	Confident	76.9	Confident	8 Å²	8	69.9 Å²	69.9	3%	0.03	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.1	-169.9	64.6	-92.8	0	0	0	115.4	N167 H172 E374 Y393 R401 K402 I403	N167-W169 PolarHBondContact O-N 2.98Å; W169-H172 CarbonylContact C-O 3.58Å; W169-H172 WeakPolarHBondContact CA-O 3.48Å; W169-E374 HydrophobicContact CD2-CG 4.48Å; W169-E374 HydrophobicContact CE3-CB 4.27Å; W169-E374 HydrophobicContact CE3-CG 4.01Å; W169-E374 VanDerWaalsContact CH2-CA 3.44Å; W169-E374 HydrophobicContact CH2-CB 3.65Å; W169-E374 HydrophobicContact CH2-CG 4.3Å; W169-E374 HydrophobicContact CZ2-CB 4.13Å; W169-E374 VanDerWaalsContact CZ3-CA 3.49Å; W169-E374 HydrophobicContact CZ3-CB 3.76Å; W169-E374 HydrophobicContact CZ3-CG 3.93Å; W169-Y393 AromaticContact CH2-CD1 3.72Å; W169-Y393 HydrophobicContact CH2-CD1 3.72Å; W169-Y393 AromaticContact CH2-CG 3.75Å; W169-Y393 HydrophobicContact CH2-CG 3.75Å; W169-Y393 AromaticContact CZ3-CD1 3.47Å; W169-Y393 HydrophobicContact CZ3-CD1 3.47Å; W169-Y393 VanDerWaalsContact CZ3-CD1 3.47Å; W169-Y393 HydrophobicContact CZ3-CD2 4.08Å; W169-Y393 AromaticContact CZ3-CE1 3.93Å; W169-Y393 HydrophobicContact CZ3-CE1 3.93Å; W169-Y393 AromaticContact CZ3-CG 3.54Å; W169-Y393 HydrophobicContact CZ3-CG 3.54Å; W169-R401 VanDerWaalsContact CB-NH1 3.31Å; W169-R401 HydrophobicContact CD2-CB 4.33Å; W169-R401 HydrophobicContact CG-CB 4.16Å; W169-R401 HydrophobicContact CZ2-CB 4.49Å; W169-R401 WeakPolarHBondContact CZ2-O 3.37Å; W169-R401 VanDerWaalsContact NE1-CB 3.29Å; W169-K402 PolarHBondContact NE1-O 2.88Å; W169-I403 HydrophobicContact CZ2-CD1 4.15Å
170	Y	90.4	Very high	75.7	Confident	4 Å²	4	64 Å²	64	2%	0.016	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-14.8	177.3	45.7	-86.8	0	0	0	113.1	M168 S182 I403 V404 M425	M168-Y170 HydrophobicContact CE-CE2 4.02Å; M168-Y170 WeakPolarHBondContact CE-OH 3.31Å; M168-Y170 PolarHBondContact O-N 3.48Å; M168-Y170 VanDerWaalsContact O-N 3.1Å; Y170-S182 PolarHBondContact O-OG 3.18Å; Y170-I403 HydrophobicContact CD1-CD1 3.41Å; Y170-I403 VanDerWaalsContact CD1-CD1 3.41Å; Y170-I403 HydrophobicContact CD2-CD1 4.47Å; Y170-I403 HydrophobicContact CE1-CB 4.46Å; Y170-I403 HydrophobicContact CE1-CD1 3.56Å; Y170-I403 HydrophobicContact CE1-CG2 4.19Å; Y170-I403 HydrophobicContact CG-CD1 3.91Å; Y170-V404 HydrophobicContact CE1-CG2 4.11Å; Y170-V404 WeakPolarHBondContact OH-CG2 3.34Å; Y170-V404 PolarHBondContact OH-N 2.9Å; Y170-V404 PolarHBondContact OH-O 3.05Å; Y170-M425 HydrophobicContact CD2-CE 3.35Å; Y170-M425 HydrophobicContact CE2-CE 4.06Å; Y170-M425 HydrophobicContact CG-CE 4.04Å
171	L	89.8	Confident	74.4	Confident	2 Å²	2	71.9 Å²	71.9	1%	0.01	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-28.8	173	-54.7	-171.2	0	0	0	112.5	W165 M168 S182 V186 W190 I267 M425	W165-L171 HydrophobicContact CZ3-CB 4.28Å; W165-L171 HydrophobicContact CZ3-CD1 4.29Å; M168-L171 HydrophobicContact CB-CB 4.39Å; M168-L171 HydrophobicContact CB-CD1 4.41Å; M168-L171 HydrophobicContact CB-CG 4.39Å; M168-L171 HydrophobicContact CE-CD1 3.67Å; M168-L171 HydrophobicContact CE-CG 4.47Å; M168-L171 PolarHBondContact O-N 2.91Å; M168-L171 HydrophobicContact SD-CD1 4.13Å; L171-S182 PolarHBondContact O-OG 3.08Å; L171-V186 HydrophobicContact CD2-CB 4.17Å; L171-V186 HydrophobicContact CD2-CG1 4.28Å; L171-V186 HydrophobicContact CD2-CG2 3.99Å; L171-W190 HydrophobicContact CD1-CH2 3.99Å; L171-W190 HydrophobicContact CD1-CZ2 4.41Å; L171-I267 HydrophobicContact CD1-CG1 4.41Å; L171-I267 HydrophobicContact CD2-CD1 4.08Å; L171-I267 HydrophobicContact CD2-CG1 3.64Å; L171-M425 HydrophobicContact CD2-CE 4.4Å
172	H	80.2	Confident	73.5	Confident	21 Å²	21	69.9 Å²	69.9	10%	0.097	37%	0.366	C	S	.	.			trans	-158.3	165	179.7	77.6	97	0	0	0	114.4	W165 M168 W169 Q187	W165-H172 AromaticContact CD2-NE2 3.85Å; W165-H172 AromaticContact CE2-CD2 3.79Å; W165-H172 AromaticContact CE2-NE2 3.72Å; W165-H172 HydrophobicContact CH2-CB 4.19Å; W165-H172 AromaticContact CH2-CD2 3.37Å; W165-H172 WeakPolarHBondContact CH2-CD2 3.46Å; W165-H172 AromaticContact CH2-CG 3.91Å; W165-H172 HydrophobicContact CZ2-CB 4.28Å; W165-H172 AromaticContact CZ2-CD2 3.47Å; W165-H172 VanDerWaalsContact CZ2-CD2 3.47Å; W165-H172 WeakPolarHBondContact CZ2-CD2 3.15Å; W165-H172 AromaticContact CZ2-CG 3.78Å; W165-H172 AromaticContact CZ2-NE2 3.89Å; W165-H172 AromaticContact CZ3-CD2 3.67Å; W165-H172 PolarHBondContact O-NE2 3.04Å; M168-H172 PolarHBondContact O-CD2 3.49Å; M168-H172 VanDerWaalsContact O-CD2 3.32Å; M168-H172 PolarHBondContact O-N 3.08Å; M168-H172 VanDerWaalsContact O-N 3.12Å; W169-H172 CarbonylContact C-O 3.58Å; W169-H172 WeakPolarHBondContact CA-O 3.48Å; H172-Q187 HydrophobicContact CB-CG 4.21Å
173	C	69.4	Low	73	Confident	44 Å²	44	70.7 Å²	70.7	30%	0.297	37%	0.369	S	S	.	.			trans	-136.8	102	174.3	-65.2	0	0	0	0	110.1	C180 R181 S182	C173-C180 HydrophobicContact CB-CB 3.62Å; C173-C180 WeakPolarHBondContact CB-SG 3.48Å; C173-C180 VanDerWaalsContact SG-CA 3.59Å; C173-C180 WeakPolarHBondContact SG-CB 3.33Å; C173-C180 PolarHBondContact SG-O 3.46Å; C173-C180 VanDerWaalsContact SG-O 3.38Å; C173-C180 CovalentContact SG-SG 2.04Å; C173-C180 PolarHBondContact SG-SG 3.29Å; C173-R181 VanDerWaalsContact SG-CA 3.58Å; C173-R181 PolarHBondContact SG-N 3.41Å; C173-S182 PolarHBondContact SG-N 3.05Å
174	G	54.8	Low	73.1	Confident	65 Å²	65	66.9 Å²	66.9	67%	0.67	34%	0.344	S	S	*	.			trans	-77.7	-20.3	-179.5	0	0	0	0	0	115.6	K176	G174-K176 PolarHBondContact O-N 3.35Å
175	D	52.1	Low	73.2	Confident	119 Å²	119	67.2 Å²	67.2	64%	0.636	35%	0.346	S	S	*	.			trans	-90	106.9	-169.5	-75.2	-39.9	0	0	0	113.6	N177 S178	D175-N177 PolarHBondContact O-N 2.85Å; D175-S178 WeakPolarHBondContact O-CB 3.49Å; D175-S178 PolarHBondContact O-N 3.11Å
176	K	46.3	Very low	73.4	Confident	209 Å²	209	66.2 Å²	66.2	91%	0.909	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-15.4	174.2	-64.6	-173.6	177.6	-175.6	0	114.8	G174	G174-K176 PolarHBondContact O-N 3.35Å
177	N	47.3	Very low	73.7	Confident	172 Å²	172	64.7 Å²	64.7	92%	0.92	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	2.6	176.9	-70.3	5.5	0	0	0	113.2	D175	D175-N177 PolarHBondContact O-N 2.85Å
178	S	48.3	Very low	73.9	Confident	55 Å²	55	62 Å²	62	39%	0.385	32%	0.315	S	S	.	.	S	Bend	trans	-96.1	155.4	-179.2	-173.2	0	0	0	0	112.1	D175 C180	D175-S178 WeakPolarHBondContact O-CB 3.49Å; D175-S178 PolarHBondContact O-N 3.11Å; S178-C180 WeakPolarHBondContact OG-CB 3.24Å; S178-C180 PolarHBondContact OG-N 3.33Å; S178-C180 VanDerWaalsContact OG-N 3.14Å
179	R	53.6	Low	74.1	Confident	243 Å²	243	61.9 Å²	61.9	92%	0.917	32%	0.315	S	S	*	.			trans	-78.4	-4.6	166.6	-73.2	-176	174.7	178.8	-1.9	113.1	R181	R179-R181 PolarHBondContact O-N 2.86Å
180	C	55.6	Low	74.5	Confident	26 Å²	26	62 Å²	62	18%	0.176	32%	0.315	C	S	.	.			trans	-52.4	124.3	177.1	-172.1	0	0	0	0	110.9	C173 S178	C173-C180 HydrophobicContact CB-CB 3.62Å; C173-C180 WeakPolarHBondContact CB-SG 3.48Å; C173-C180 VanDerWaalsContact SG-CA 3.59Å; C173-C180 WeakPolarHBondContact SG-CB 3.33Å; C173-C180 PolarHBondContact SG-O 3.46Å; C173-C180 VanDerWaalsContact SG-O 3.38Å; C173-C180 CovalentContact SG-SG 2.04Å; C173-C180 PolarHBondContact SG-SG 3.29Å; S178-C180 WeakPolarHBondContact OG-CB 3.24Å; S178-C180 PolarHBondContact OG-N 3.33Å; S178-C180 VanDerWaalsContact OG-N 3.14Å
181	R	61.4	Low	74.6	Confident	174 Å²	174	67.1 Å²	67.1	66%	0.657	34%	0.338	S	S	*	.			trans	-135.1	112.8	165.3	-59.6	-178.6	-179.1	-179.3	-0.9	108.4	C173 R179 E183 Y393	C173-R181 VanDerWaalsContact SG-CA 3.58Å; C173-R181 PolarHBondContact SG-N 3.41Å; R179-R181 PolarHBondContact O-N 2.86Å; R181-E183 VanDerWaalsContact C-N 3.31Å; R181-E183 HydrophobicContact CB-CG 3.77Å; R181-E183 WeakPolarHBondContact CD-OE1 3.32Å; R181-E183 IonicContact NE-OE1 3.36Å; R181-E183 IonicContact NH1-OE1 2.84Å; R181-E183 PolarHBondContact NH1-OE1 3.39Å; R181-E183 VanDerWaalsContact NH1-OE1 3.13Å; R181-E183 PolarHBondContact O-N 3.2Å; R181-Y393 PolarHBondContact O-OH 3.39Å
182	S	71.7	Confident	74.8	Confident	19 Å²	19	73.2 Å²	73.2	13%	0.133	36%	0.361	C	S	.	.			trans	-77.8	85.8	168.5	160.5	0	0	0	0	108	Y170 L171 C173 M184 N185	Y170-S182 PolarHBondContact O-OG 3.18Å; L171-S182 PolarHBondContact O-OG 3.08Å; C173-S182 PolarHBondContact SG-N 3.05Å; S182-M184 PolarHBondContact O-N 2.6Å; S182-N185 PolarHBondContact O-N 2.52Å
183	E	84.2	Confident	75.6	Confident	23 Å²	23	74.5 Å²	74.5	11%	0.107	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	9.6	-177.9	-65.6	-176.6	167.2	0	0	112.8	R181 Y393 R454 A456 H457 L480	R181-E183 VanDerWaalsContact C-N 3.31Å; R181-E183 HydrophobicContact CB-CG 3.77Å; R181-E183 WeakPolarHBondContact CD-OE1 3.32Å; R181-E183 IonicContact NE-OE1 3.36Å; R181-E183 IonicContact NH1-OE1 2.84Å; R181-E183 PolarHBondContact NH1-OE1 3.39Å; R181-E183 VanDerWaalsContact NH1-OE1 3.13Å; R181-E183 PolarHBondContact O-N 3.2Å; E183-Y393 PolarHBondContact N-OH 2.86Å; E183-R454 PolarHBondContact O-NE 2.7Å; E183-R454 PolarHBondContact O-NH2 3.08Å; E183-A456 HydrophobicContact CB-CB 4.49Å; E183-A456 WeakPolarHBondContact OE2-CB 3.5Å; E183-H457 IonicContact OE2-CE1 2.7Å; E183-H457 IonicContact OE2-CG 3.15Å; E183-H457 PolarHBondContact OE2-N 3.03Å; E183-H457 VanDerWaalsContact OE2-N 3.15Å; E183-H457 IonicContact OE2-ND1 2.67Å; E183-H457 PolarHBondContact OE2-ND1 3.06Å; E183-L480 HydrophobicContact CB-CD2 3.71Å
184	M	93.5	Very high	76.9	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-8	169	-69.3	179.2	59.1	0	0	114.3	S182 V186 T392 Y393 M425 I429 L480 V481 A483	S182-M184 PolarHBondContact O-N 2.6Å; M184-V186 HydrophobicContact CB-CG2 4.36Å; M184-V186 PolarHBondContact O-N 2.94Å; M184-T392 HydrophobicContact CE-CG2 3.53Å; M184-T392 HydrophobicContact SD-CG2 4.23Å; M184-Y393 HydrophobicContact CG-CD2 3.86Å; M184-Y393 HydrophobicContact CG-CE2 3.83Å; M184-Y393 HydrophobicContact SD-CD2 3.37Å; M184-Y393 WeakPolarHBondContact SD-CD2 3.2Å; M184-Y393 HydrophobicContact SD-CE2 4Å; M184-Y393 HydrophobicContact SD-CG 4.15Å; M184-M425 HydrophobicContact CE-CB 4.46Å; M184-M425 HydrophobicContact CE-CE 3.61Å; M184-M425 HydrophobicContact CE-SD 4.36Å; M184-M425 HydrophobicContact SD-CE 3.93Å; M184-I429 HydrophobicContact CE-CD1 3.43Å; M184-I429 VanDerWaalsContact CE-CD1 3.43Å; M184-L480 HydrophobicContact CG-CD1 3.95Å; M184-L480 HydrophobicContact CG-CD2 3.97Å; M184-L480 HydrophobicContact CG-CG 3.82Å; M184-L480 HydrophobicContact SD-CD1 4.31Å; M184-V481 WeakPolarHBondContact CA-O 3.43Å; M184-A483 VanDerWaalsContact O-CB 3.32Å; M184-A483 WeakPolarHBondContact O-CB 3.34Å; M184-A483 PolarHBondContact O-N 3.14Å
185	N	93	Very high	79	Confident	42 Å²	42	71.4 Å²	71.4	23%	0.225	34%	0.343	C	S	.	.			trans	54.8	17.5	170.8	-68.5	-5.9	0	0	0	117.6	S182 Q187 A188 A189 R454 D482 E484	S182-N185 PolarHBondContact O-N 2.52Å; N185-Q187 VanDerWaalsContact C-N 3.31Å; N185-Q187 PolarHBondContact O-N 2.99Å; N185-A188 WeakPolarHBondContact O-CB 3Å; N185-A188 PolarHBondContact O-N 2.73Å; N185-A189 PolarHBondContact O-N 3.41Å; N185-R454 PolarHBondContact ND2-NH2 3.09Å; N185-R454 PolarHBondContact OD1-NH2 2.76Å; N185-D482 WeakPolarHBondContact CB-OD1 3.49Å; N185-D482 PolarHBondContact ND2-OD1 2.66Å; N185-D482 PolarHBondContact ND2-OD2 3.18Å; N185-E484 HydrophobicContact CB-CB 3.95Å
186	V	95.8	Very high	81.2	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-53.8	-42.7	-175.8	177.1	0	0	0	0	112.9	L171 M184 A188 A189 W190 I267 I429 L432 A483	L171-V186 HydrophobicContact CD2-CB 4.17Å; L171-V186 HydrophobicContact CD2-CG1 4.28Å; L171-V186 HydrophobicContact CD2-CG2 3.99Å; M184-V186 HydrophobicContact CB-CG2 4.36Å; M184-V186 PolarHBondContact O-N 2.94Å; V186-A188 PolarHBondContact O-N 3.21Å; V186-A188 VanDerWaalsContact O-N 3.16Å; V186-A189 WeakPolarHBondContact O-CB 3.43Å; V186-A189 PolarHBondContact O-N 3.16Å; V186-W190 HydrophobicContact CG1-CD2 4.08Å; V186-W190 VanDerWaalsContact CG1-CE2 3.44Å; V186-W190 HydrophobicContact CG1-CH2 4.37Å; V186-W190 HydrophobicContact CG1-CZ2 3.62Å; V186-W190 PolarHBondContact O-N 3.38Å; V186-I267 HydrophobicContact CG1-CG2 4.04Å; V186-I267 HydrophobicContact CG2-CG2 4.35Å; V186-I429 HydrophobicContact CG2-CD1 4.14Å; V186-I429 HydrophobicContact CG2-CG1 4.25Å; V186-L432 HydrophobicContact CG1-CD1 4.41Å; V186-A483 HydrophobicContact CB-CB 4.49Å; V186-A483 HydrophobicContact CG2-CB 3.94Å
187	Q	92.6	Very high	83.7	Confident	49 Å²	49	61.1 Å²	61.1	23%	0.229	29%	0.293	C	S	.	.	H	α-helix	trans	-56.6	-30.1	174	-78.8	-164.2	-10.8	0	0	114.7	W165 H172 N185 W190 K191	W165-Q187 HydrophobicContact CH2-CG 4.42Å; W165-Q187 VanDerWaalsContact CZ2-NE2 3.33Å; H172-Q187 HydrophobicContact CB-CG 4.21Å; N185-Q187 VanDerWaalsContact C-N 3.31Å; N185-Q187 PolarHBondContact O-N 2.99Å; Q187-W190 HydrophobicContact CG-CE3 4.19Å; Q187-W190 HydrophobicContact CG-CZ3 4.43Å; Q187-W190 PolarHBondContact O-N 3.09Å; Q187-K191 WeakPolarHBondContact O-CB 3.3Å; Q187-K191 VanDerWaalsContact O-CG 3.28Å; Q187-K191 WeakPolarHBondContact O-CG 3.25Å; Q187-K191 PolarHBondContact O-N 2.77Å
188	A	91.9	Very high	86	Confident	24 Å²	24	59.3 Å²	59.3	20%	0.198	28%	0.283	C	S	.	.	H	α-helix	trans	-81.4	-29.3	-178.2	0	0	0	0	0	111.8	N185 V186 R192 E484	N185-A188 WeakPolarHBondContact O-CB 3Å; N185-A188 PolarHBondContact O-N 2.73Å; V186-A188 PolarHBondContact O-N 3.21Å; V186-A188 VanDerWaalsContact O-N 3.16Å; A188-R192 WeakPolarHBondContact O-CG 3.39Å; A188-R192 PolarHBondContact O-N 3.26Å; A188-E484 HydrophobicContact CB-CB 3.94Å; A188-E484 VanDerWaalsContact CB-CD 3.43Å; A188-E484 HydrophobicContact CB-CG 4.05Å; A188-E484 VanDerWaalsContact CB-OE2 3.29Å; A188-E484 WeakPolarHBondContact CB-OE2 3.28Å
189	A	95.8	Very high	88.4	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.6	-45.2	163.5	0	0	0	0	0	111.5	N185 V186 K191 R192 G193 Y194 L432 A483 V487	N185-A189 PolarHBondContact O-N 3.41Å; V186-A189 WeakPolarHBondContact O-CB 3.43Å; V186-A189 PolarHBondContact O-N 3.16Å; A189-K191 PolarHBondContact O-N 3.4Å; A189-R192 WeakPolarHBondContact O-CA 3.25Å; A189-R192 WeakPolarHBondContact O-CB 3.26Å; A189-R192 PolarHBondContact O-N 2.98Å; A189-G193 PolarHBondContact O-N 2.72Å; A189-Y194 PolarHBondContact O-N 2.74Å; A189-L432 HydrophobicContact CB-CD1 3.82Å; A189-A483 HydrophobicContact CB-CB 4.33Å; A189-V487 HydrophobicContact CB-CG2 4.16Å
190	W	96.1	Very high	90.6	Very high	10 Å²	10	45.8 Å²	45.8	4%	0.038	23%	0.225	C	C	.	.	H	α-helix	trans	-59.6	-42.6	174.7	-62.4	-13.3	0	0	0	112.7	L158 F160 W165 L171 V186 Q187 R192 G193 Y194 V265 G266 I267 Y269	L158-W190 HydrophobicContact CD1-CB 3.75Å; L158-W190 HydrophobicContact CD1-CE3 4.01Å; F160-W190 HydrophobicContact CD2-CZ3 4.38Å; F160-W190 AromaticContact CE2-CE3 3.76Å; F160-W190 HydrophobicContact CE2-CE3 3.76Å; F160-W190 HydrophobicContact CE2-CH2 4.4Å; F160-W190 AromaticContact CE2-CZ3 3.43Å; F160-W190 HydrophobicContact CE2-CZ3 3.43Å; F160-W190 VanDerWaalsContact CE2-CZ3 3.43Å; F160-W190 AromaticContact CZ-CE3 3.74Å; F160-W190 HydrophobicContact CZ-CE3 3.74Å; F160-W190 HydrophobicContact CZ-CH2 4.35Å; F160-W190 AromaticContact CZ-CZ3 3.61Å; F160-W190 HydrophobicContact CZ-CZ3 3.61Å; W165-W190 HydrophobicContact CH2-CH2 4.15Å; W165-W190 AromaticContact CH2-CZ3 3.57Å; W165-W190 HydrophobicContact CH2-CZ3 3.57Å; W165-W190 AromaticContact CZ3-CH2 3.96Å; W165-W190 HydrophobicContact CZ3-CH2 3.96Å; W165-W190 AromaticContact CZ3-CZ3 3.84Å; W165-W190 HydrophobicContact CZ3-CZ3 3.84Å; L171-W190 HydrophobicContact CD1-CH2 3.99Å; L171-W190 HydrophobicContact CD1-CZ2 4.41Å; V186-W190 HydrophobicContact CG1-CD2 4.08Å; V186-W190 VanDerWaalsContact CG1-CE2 3.44Å; V186-W190 HydrophobicContact CG1-CH2 4.37Å; V186-W190 HydrophobicContact CG1-CZ2 3.62Å; V186-W190 PolarHBondContact O-N 3.38Å; Q187-W190 HydrophobicContact CG-CE3 4.19Å; Q187-W190 HydrophobicContact CG-CZ3 4.43Å; Q187-W190 PolarHBondContact O-N 3.09Å; W190-R192 PolarHBondContact O-N 2.83Å; W190-G193 PolarHBondContact O-N 2.75Å; W190-Y194 WeakPolarHBondContact CA-O 3.42Å; W190-Y194 VanDerWaalsContact CD1-O 3.31Å; W190-V265 HydrophobicContact CH2-CB 4.36Å; W190-V265 HydrophobicContact CH2-CG1 3.7Å; W190-V265 HydrophobicContact CZ2-CG1 4.15Å; W190-V265 HydrophobicContact CZ3-CG1 4.41Å; W190-G266 WeakPolarHBondContact CZ2-O 3.49Å; W190-I267 PolarHBondContact NE1-O 3.31Å; W190-Y269 HydrophobicContact CD2-CD1 4.47Å; W190-Y269 AromaticContact CD2-CE1 3.75Å; W190-Y269 HydrophobicContact CD2-CE1 3.75Å; W190-Y269 AromaticContact CE2-CD1 3.84Å; W190-Y269 AromaticContact CE2-CE1 3.55Å; W190-Y269 HydrophobicContact CE3-CE1 4.25Å; W190-Y269 HydrophobicContact CG-CE1 4.06Å; W190-Y269 HydrophobicContact CH2-CD1 4.36Å; W190-Y269 HydrophobicContact CH2-CE1 4.36Å; W190-Y269 AromaticContact CZ2-CD1 3.78Å; W190-Y269 HydrophobicContact CZ2-CD1 3.78Å; W190-Y269 AromaticContact CZ2-CE1 3.89Å; W190-Y269 HydrophobicContact CZ2-CE1 3.89Å; W190-Y269 AromaticContact NE1-CE1 3.78Å
191	K	93.4	Very high	92.7	Very high	112 Å²	112	44.6 Å²	44.6	49%	0.487	22%	0.217	S	C	.	.	H	α-helix	trans	-63.2	-18.2	174.4	-77.1	176	177.6	-169.6	0	114	Q156 L158 Q187 A189	Q156-K191 WeakPolarHBondContact O-CE 3.38Å; Q156-K191 PolarHBondContact O-NZ 2.98Å; L158-K191 HydrophobicContact CD1-CG 3.91Å; L158-K191 HydrophobicContact CG-CG 4.13Å; Q187-K191 WeakPolarHBondContact O-CB 3.3Å; Q187-K191 VanDerWaalsContact O-CG 3.28Å; Q187-K191 WeakPolarHBondContact O-CG 3.25Å; Q187-K191 PolarHBondContact O-N 2.77Å; A189-K191 PolarHBondContact O-N 3.4Å
192	R	94.3	Very high	94.4	Very high	130 Å²	130	36.3 Å²	36.3	49%	0.491	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-1	172.7	-68.9	168.3	-179.7	-87.5	1.3	113.2	A188 A189 W190 Y194 E484 V488	A188-R192 WeakPolarHBondContact O-CG 3.39Å; A188-R192 PolarHBondContact O-N 3.26Å; A189-R192 WeakPolarHBondContact O-CA 3.25Å; A189-R192 WeakPolarHBondContact O-CB 3.26Å; A189-R192 PolarHBondContact O-N 2.98Å; W190-R192 PolarHBondContact O-N 2.83Å; R192-Y194 HydrophobicContact CB-CD2 3.75Å; R192-Y194 HydrophobicContact CB-CE2 3.97Å; R192-E484 IonicContact CZ-OE1 2.78Å; R192-E484 IonicContact NE-OE1 3.72Å; R192-E484 PolarHBondContact NE-OE1 2.84Å; R192-E484 IonicContact NH2-OE1 3.44Å; R192-E484 PolarHBondContact NH2-OE1 2.94Å; R192-V488 VanDerWaalsContact CZ-CG2 3.46Å
193	G	95.9	Very high	95.7	Very high	49 Å²	49	35.6 Å²	35.6	51%	0.505	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.6	0.5	177.4	0	0	0	0	0	115.1	A189 W190	A189-G193 PolarHBondContact O-N 2.72Å; W190-G193 PolarHBondContact O-N 2.75Å
194	Y	98	Very high	96.4	Very high	31 Å²	31	34.5 Å²	34.5	12%	0.122	18%	0.175	C	C	.	.			trans	-89.9	128	-178.1	-60.2	-74.3	0	0	0	110.6	A189 W190 R192 E435 A436 V487 K491	A189-Y194 PolarHBondContact O-N 2.74Å; W190-Y194 WeakPolarHBondContact CA-O 3.42Å; W190-Y194 VanDerWaalsContact CD1-O 3.31Å; R192-Y194 HydrophobicContact CB-CD2 3.75Å; R192-Y194 HydrophobicContact CB-CE2 3.97Å; Y194-E435 HydrophobicContact CD1-CB 4.2Å; Y194-E435 HydrophobicContact CD1-CG 3.97Å; Y194-A436 HydrophobicContact CD1-CB 3.89Å; Y194-A436 VanDerWaalsContact CE1-CA 3.41Å; Y194-A436 HydrophobicContact CE1-CB 3.59Å; Y194-A436 HydrophobicContact CG-CB 4.5Å; Y194-V487 HydrophobicContact CD2-CG1 3.26Å; Y194-V487 HydrophobicContact CE2-CG1 3.59Å; Y194-V487 HydrophobicContact CG-CG1 3.77Å; Y194-K491 WeakPolarHBondContact OH-CD 3.41Å; Y194-K491 PolarHBondContact OH-NZ 3.26Å
195	T	98.3	Very high	96.6	Very high	12 Å²	12	34.6 Å²	34.6	7%	0.074	18%	0.176	C	C	.	.	S	Bend	trans	-144	5.2	-168.9	56.5	0	0	0	0	113.7	A268 Y269 N270 L432 E435	T195-A268 CarbonylContact O-C 3.49Å; T195-A268 VanDerWaalsContact O-CA 3.25Å; T195-A268 WeakPolarHBondContact O-CA 3.32Å; T195-Y269 HydrophobicContact CG2-CE1 4.12Å; T195-Y269 HydrophobicContact CG2-CE2 3.78Å; T195-Y269 VanDerWaalsContact CG2-CZ 3.47Å; T195-Y269 VanDerWaalsContact CG2-OH 3.3Å; T195-Y269 WeakPolarHBondContact CG2-OH 3.34Å; T195-Y269 PolarHBondContact O-N 2.88Å; T195-N270 VanDerWaalsContact CB-ND2 3.31Å; T195-N270 WeakPolarHBondContact CB-ND2 3.43Å; T195-N270 PolarHBondContact O-N 3.39Å; T195-N270 PolarHBondContact OG1-ND2 3.14Å; T195-L432 VanDerWaalsContact C-CD2 3.45Å; T195-E435 PolarHBondContact N-OE2 3.4Å
196	G	98.5	Very high	96.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.168	C	C	.	.			trans	94.5	7	-178.1	0	0	0	0	0	113.9	N198 V199 A271 L432 E435	G196-N198 PolarHBondContact O-N 2.84Å; G196-V199 WeakPolarHBondContact O-CB 3.48Å; G196-V199 PolarHBondContact O-N 2.85Å; G196-V199 VanDerWaalsContact O-N 3.12Å; G196-A271 WeakPolarHBondContact O-CA 3.5Å; G196-A271 WeakPolarHBondContact O-CB 2.95Å; G196-L432 VanDerWaalsContact N-CD2 3.32Å; G196-E435 PolarHBondContact N-OE2 3.46Å
197	K	98.3	Very high	96.8	Very high	113 Å²	113	33.2 Å²	33.2	49%	0.491	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	135.3	-165.4	-167.7	-178.3	175.2	178.7	0	112.3	V199 N270 E435	K197-V199 PolarHBondContact O-N 3.23Å; K197-N270 HydrophobicContact CB-CB 4.29Å; K197-E435 HydrophobicContact CB-CG 4.35Å; K197-E435 VanDerWaalsContact CB-OE1 3.27Å; K197-E435 WeakPolarHBondContact CB-OE1 3.41Å; K197-E435 VanDerWaalsContact N-CD 3.31Å; K197-E435 PolarHBondContact N-OE2 2.89Å
198	N	96.6	Very high	97	Very high	134 Å²	134	30.9 Å²	30.9	72%	0.717	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	67	3.4	-176.6	-47.1	-40.4	0	0	0	115.5	G196	G196-N198 PolarHBondContact O-N 2.84Å
199	V	98.9	Very high	97.3	Very high	6 Å²	6	29.8 Å²	29.8	4%	0.036	15%	0.149	C	C	.	.			trans	-89.5	144	173.3	-175.6	0	0	0	0	109.7	G196 K197 K272 D300 I301 A431 L434 E435	G196-V199 WeakPolarHBondContact O-CB 3.48Å; G196-V199 PolarHBondContact O-N 2.85Å; G196-V199 VanDerWaalsContact O-N 3.12Å; K197-V199 PolarHBondContact O-N 3.23Å; V199-K272 PolarHBondContact O-N 2.8Å; V199-D300 HydrophobicContact CG1-CB 3.87Å; V199-I301 HydrophobicContact CG1-CD1 4.18Å; V199-A431 HydrophobicContact CB-CB 4.15Å; V199-A431 HydrophobicContact CG1-CB 3.84Å; V199-A431 WeakPolarHBondContact CG2-O 3.09Å; V199-L434 HydrophobicContact CG1-CB 4.22Å; V199-L434 HydrophobicContact CG1-CD1 3.93Å; V199-L434 HydrophobicContact CG2-CB 3.73Å; V199-E435 HydrophobicContact CG2-CB 4.43Å
200	V	98.9	Very high	97.3	Very high	8 Å²	8	34.6 Å²	34.6	5%	0.048	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	116.9	179.8	-175	0	0	0	0	110.6	A223 K272 Y298 I299 D300 I301	V200-A223 HydrophobicContact CG1-CB 3.61Å; V200-K272 HydrophobicContact CG2-CB 4.34Å; V200-K272 HydrophobicContact CG2-CD 4.36Å; V200-Y298 HydrophobicContact CB-CE1 4.43Å; V200-Y298 WeakPolarHBondContact CB-O 3.4Å; V200-Y298 HydrophobicContact CG1-CD1 4.01Å; V200-Y298 HydrophobicContact CG1-CE1 3.74Å; V200-Y298 HydrophobicContact CG2-CD1 4.41Å; V200-Y298 HydrophobicContact CG2-CE1 3.91Å; V200-Y298 WeakPolarHBondContact CG2-O 3.48Å; V200-I299 HydrophobicContact CG1-CB 4.44Å; V200-I299 HydrophobicContact CG1-CG1 4.18Å; V200-D300 PolarHBondContact N-OD2 3.28Å; V200-D300 WeakPolarHBondContact O-CB 3.49Å; V200-D300 PolarHBondContact O-N 2.87Å; V200-I301 PolarHBondContact O-N 2.9Å; V200-I301 VanDerWaalsContact O-N 3.13Å
201	V	98.9	Very high	97.3	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	143.5	174.8	-170.4	0	0	0	0	109.6	V254 K272 I273 G274 I301 A427 A431	V201-V254 HydrophobicContact CB-CG1 4Å; V201-V254 HydrophobicContact CG1-CG1 3.97Å; V201-V254 HydrophobicContact CG1-CG2 4.41Å; V201-V254 HydrophobicContact CG2-CG1 3.88Å; V201-K272 PolarHBondContact N-O 3.24Å; V201-I273 HydrophobicContact CB-CD1 3.99Å; V201-I273 HydrophobicContact CG1-CD1 4.14Å; V201-I273 CarbonylContact O-C 3.59Å; V201-I273 WeakPolarHBondContact O-CA 3.27Å; V201-G274 PolarHBondContact O-N 3.22Å; V201-I301 CarbonylContact C-O 3.54Å; V201-I301 WeakPolarHBondContact CA-O 3.39Å; V201-I301 HydrophobicContact CG1-CB 4.19Å; V201-I301 HydrophobicContact CG1-CG2 4.32Å; V201-I301 HydrophobicContact CG2-CB 4.23Å; V201-I301 HydrophobicContact CG2-CD1 4.18Å; V201-A427 HydrophobicContact CG1-CB 4.26Å; V201-A431 HydrophobicContact CG2-CB 4.18Å
202	T	98.8	Very high	97.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	146.8	165.1	-165.7	0	0	0	0	111.5	L204 A223 G274 I276 I299 I301 Y302 S303	T202-L204 HydrophobicContact CG2-CD2 4.08Å; T202-A223 PolarHBondContact OG1-O 2.86Å; T202-G274 WeakPolarHBondContact CA-O 3.34Å; T202-G274 PolarHBondContact OG1-O 2.9Å; T202-I276 HydrophobicContact CG2-CD1 3.92Å; T202-I299 HydrophobicContact CG2-CD1 3.99Å; T202-I299 HydrophobicContact CG2-CG2 3.75Å; T202-I301 PolarHBondContact N-O 2.85Å; T202-Y302 HydrophobicContact CG2-CD1 3.45Å; T202-Y302 VanDerWaalsContact CG2-CD1 3.45Å; T202-Y302 HydrophobicContact CG2-CE1 3.93Å; T202-Y302 HydrophobicContact CG2-CG 4.01Å; T202-S303 PolarHBondContact O-N 2.83Å
203	I	98.9	Very high	97.7	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.021	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	128.5	169.1	-53.9	-54.3	0	0	0	108.4	D205 C250 A251 V254 I273 G274 G275 I276	I203-D205 HydrophobicContact CG2-CB 3.68Å; I203-C250 HydrophobicContact CD1-CB 4.12Å; I203-C250 HydrophobicContact CG1-CB 4.4Å; I203-C250 HydrophobicContact CG2-CB 3.93Å; I203-A251 HydrophobicContact CG1-CB 4.05Å; I203-V254 HydrophobicContact CD1-CG2 4.03Å; I203-I273 HydrophobicContact CD1-CD1 4.16Å; I203-I273 HydrophobicContact CG1-CD1 4.01Å; I203-G274 PolarHBondContact N-O 3Å; I203-G275 CarbonylContact O-C 3.52Å; I203-G275 WeakPolarHBondContact O-CA 3.48Å; I203-I276 PolarHBondContact O-N 2.77Å
204	L	98.3	Very high	97.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	98	175.3	-60.7	-173	0	0	0	108.7	T202 I276 L292 Y302 S303 A304 W306	T202-L204 HydrophobicContact CG2-CD2 4.08Å; L204-I276 HydrophobicContact CD2-CB 3.67Å; L204-I276 HydrophobicContact CD2-CD1 3.5Å; L204-I276 HydrophobicContact CD2-CG1 4.1Å; L204-I276 HydrophobicContact CD2-CG2 4.03Å; L204-L292 HydrophobicContact CD1-CD2 3.95Å; L204-Y302 HydrophobicContact CD1-CD1 4.23Å; L204-Y302 HydrophobicContact CD2-CD1 4.12Å; L204-Y302 HydrophobicContact CG-CD1 4.38Å; L204-S303 PolarHBondContact N-O 2.99Å; L204-A304 HydrophobicContact CB-CB 4.14Å; L204-A304 HydrophobicContact CD1-CB 4.38Å; L204-W306 HydrophobicContact CB-CZ2 4.46Å; L204-W306 HydrophobicContact CD1-CZ2 4.37Å; L204-W306 PolarHBondContact O-NE1 2.92Å
205	D	98.1	Very high	97.8	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.016	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	-153.4	-162.5	-148.5	-82.4	0	0	0	113.8	I203 G207 H246 G247 I276 R277 M278 L279	I203-D205 HydrophobicContact CG2-CB 3.68Å; D205-G207 VanDerWaalsContact C-N 3.33Å; D205-H246 VanDerWaalsContact CG-ND1 3.27Å; D205-H246 WeakPolarHBondContact OD1-CB 3.17Å; D205-H246 IonicContact OD1-CG 2.77Å; D205-H246 IonicContact OD1-ND1 3.31Å; D205-H246 PolarHBondContact OD1-ND1 2.93Å; D205-H246 IonicContact OD2-CE1 3.72Å; D205-H246 PolarHBondContact OD2-CE1 2.93Å; D205-H246 IonicContact OD2-CG 3.74Å; D205-H246 IonicContact OD2-ND1 3.66Å; D205-H246 PolarHBondContact OD2-ND1 2.61Å; D205-G247 PolarHBondContact OD1-N 3.13Å; D205-I276 PolarHBondContact N-O 2.68Å; D205-R277 WeakPolarHBondContact O-CA 3.36Å; D205-M278 PolarHBondContact O-N 3.09Å; D205-L279 HydrophobicContact CB-CD1 4.49Å; D205-L279 PolarHBondContact O-N 2.94Å; D205-L279 VanDerWaalsContact O-N 3.15Å
206	D	96.1	Very high	97.8	Very high	10 Å²	10	26.7 Å²	26.7	5%	0.053	14%	0.14	C	C	.	.	S	Bend	trans	-75.2	-13.4	178.6	66.8	15.6	0	0	0	115.3	N244 K245 H246 G247 R277 L279	D206-N244 HydrophobicContact CB-CB 4.14Å; D206-N244 WeakPolarHBondContact OD2-CA 3.3Å; D206-K245 PolarHBondContact OD2-N 3.21Å; D206-H246 PolarHBondContact OD1-N 2.83Å; D206-H246 WeakPolarHBondContact OD2-CA 3.49Å; D206-H246 WeakPolarHBondContact OD2-CB 3.41Å; D206-H246 PolarHBondContact OD2-N 3.39Å; D206-G247 PolarHBondContact OD1-N 2.88Å; D206-R277 WeakPolarHBondContact O-CD 3.38Å; D206-R277 WeakPolarHBondContact O-CG 3.36Å; D206-L279 HydrophobicContact CB-CB 4.47Å
207	G	96.1	Very high	97.8	Very high	2 Å²	2	30.9 Å²	30.9	2%	0.021	17%	0.167	C	C	.	.			trans	137.2	176.7	176	0	0	0	0	0	113.5	D205 P234 G247 T248	D205-G207 VanDerWaalsContact C-N 3.33Å; G207-P234 CarbonylContact C-O 3.59Å; G207-P234 VanDerWaalsContact CA-O 3.23Å; G207-P234 WeakPolarHBondContact CA-O 3.43Å; G207-G247 CarbonylContact O-C 3.41Å; G207-G247 VanDerWaalsContact O-C 3.23Å; G207-G247 VanDerWaalsContact O-CA 3.29Å; G207-G247 WeakPolarHBondContact O-CA 3.26Å; G207-T248 PolarHBondContact O-N 3.09Å
208	I	98	Very high	97.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.15	C	C	.	.			trans	-129.9	126.4	175	-170.7	174.7	0	0	0	110.5	R210 L215 Y219 P234 P236 A251 I273	I208-R210 PolarHBondContact O-N 2.93Å; I208-L215 HydrophobicContact CD1-CD1 4.23Å; I208-L215 HydrophobicContact CG1-CD1 3.93Å; I208-Y219 HydrophobicContact CD1-CD2 4.38Å; I208-Y219 HydrophobicContact CG2-CD2 4.42Å; I208-Y219 HydrophobicContact CG2-CE2 3.96Å; I208-P234 HydrophobicContact CG2-CB 3.92Å; I208-P234 HydrophobicContact CG2-CG 3.43Å; I208-P234 VanDerWaalsContact CG2-CG 3.43Å; I208-P234 PolarHBondContact N-O 3.3Å; I208-P236 WeakPolarHBondContact O-CD 3.4Å; I208-A251 HydrophobicContact CD1-CB 3.52Å; I208-A251 HydrophobicContact CG1-CB 3.92Å; I208-I273 HydrophobicContact CD1-CG1 4.12Å; I208-I273 HydrophobicContact CD1-CG2 4.36Å
209	E	98.1	Very high	97.9	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	12%	0.124	C	C	.	.			trans	-70.2	80.1	171.1	-171	176.5	-83.6	0	0	109.6	N211 H212 P236 Y238 T248 R409 Q410	E209-N211 VanDerWaalsContact CG-OD1 3.24Å; E209-N211 WeakPolarHBondContact CG-OD1 3.42Å; E209-N211 PolarHBondContact O-N 2.69Å; E209-H212 HydrophobicContact CB-CB 4.13Å; E209-H212 HydrophobicContact CG-CB 4.03Å; E209-H212 WeakPolarHBondContact O-CB 3.17Å; E209-H212 PolarHBondContact O-N 3.23Å; E209-H212 IonicContact OE2-CD2 3.57Å; E209-H212 PolarHBondContact OE2-CD2 3.43Å; E209-H212 VanDerWaalsContact OE2-CD2 3.3Å; E209-H212 IonicContact OE2-CG 2.75Å; E209-P236 HydrophobicContact CB-CG 4.44Å; E209-Y238 WeakPolarHBondContact CG-OH 3.16Å; E209-Y238 WeakPolarHBondContact OE1-CE1 3.38Å; E209-Y238 PolarHBondContact OE1-OH 3.09Å; E209-Y238 VanDerWaalsContact OE1-OH 3.05Å; E209-T248 HydrophobicContact CB-CG2 3.69Å; E209-T248 PolarHBondContact N-OG1 2.97Å; E209-R409 VanDerWaalsContact OE1-CA 3.3Å; E209-R409 WeakPolarHBondContact OE1-CA 3.4Å; E209-R409 PolarHBondContact OE1-N 3.49Å; E209-Q410 WeakPolarHBondContact OE2-CA 3.46Å; E209-Q410 VanDerWaalsContact OE2-CG 3.23Å; E209-Q410 WeakPolarHBondContact OE2-CG 3.38Å; E209-Q410 PolarHBondContact OE2-N 2.85Å
210	R	94.2	Very high	97.9	Very high	101 Å²	101	22.9 Å²	22.9	38%	0.381	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-15.4	-174.5	64.4	177.9	-179.6	91.6	-2.1	115.3	I208 Y219 D233	I208-R210 PolarHBondContact O-N 2.93Å; R210-Y219 HydrophobicContact CB-CD1 3.83Å; R210-Y219 HydrophobicContact CB-CD2 3.57Å; R210-Y219 HydrophobicContact CB-CE1 3.71Å; R210-Y219 HydrophobicContact CB-CE2 3.44Å; R210-Y219 VanDerWaalsContact CB-CE2 3.44Å; R210-Y219 HydrophobicContact CB-CG 3.75Å; R210-Y219 HydrophobicContact CG-CE1 4.36Å; R210-D233 WeakPolarHBondContact CD-OD1 3.49Å; R210-D233 IonicContact CZ-OD1 2.79Å; R210-D233 IonicContact CZ-OD2 3.8Å; R210-D233 VanDerWaalsContact NE-CG 3.26Å; R210-D233 IonicContact NE-OD1 3.54Å; R210-D233 PolarHBondContact NE-OD1 3.5Å; R210-D233 IonicContact NE-OD2 3.33Å; R210-D233 PolarHBondContact NE-OD2 3.13Å; R210-D233 IonicContact NH2-OD1 2.77Å; R210-D233 IonicContact NH2-OD2 3.38Å; R210-D233 PolarHBondContact NH2-OD2 2.86Å
211	N	96	Very high	97.8	Very high	81 Å²	81	25.9 Å²	25.9	43%	0.433	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	7.2	175.1	67.8	-26.7	0	0	0	113.3	E209 Q410	E209-N211 VanDerWaalsContact CG-OD1 3.24Å; E209-N211 WeakPolarHBondContact CG-OD1 3.42Å; E209-N211 PolarHBondContact O-N 2.69Å; N211-Q410 PolarHBondContact O-NE2 2.81Å; N211-Q410 VanDerWaalsContact O-NE2 3.16Å
212	H	98.4	Very high	97.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.172	C	C	.	.			trans	-57.4	128.2	170.1	-173.8	-84.2	0	0	0	108.9	E209 D214 L215 A216 Y262 T406 D407 R411	E209-H212 HydrophobicContact CB-CB 4.13Å; E209-H212 HydrophobicContact CG-CB 4.03Å; E209-H212 WeakPolarHBondContact O-CB 3.17Å; E209-H212 PolarHBondContact O-N 3.23Å; E209-H212 IonicContact OE2-CD2 3.57Å; E209-H212 PolarHBondContact OE2-CD2 3.43Å; E209-H212 VanDerWaalsContact OE2-CD2 3.3Å; E209-H212 IonicContact OE2-CG 2.75Å; H212-D214 VanDerWaalsContact CE1-CB 3.47Å; H212-D214 WeakPolarHBondContact CE1-CB 3.4Å; H212-D214 VanDerWaalsContact ND1-CB 3.31Å; H212-D214 WeakPolarHBondContact ND1-CB 3.39Å; H212-D214 PolarHBondContact ND1-N 3.5Å; H212-D214 PolarHBondContact O-N 2.7Å; H212-L215 HydrophobicContact CB-CB 4.13Å; H212-L215 HydrophobicContact CB-CD1 3.99Å; H212-L215 HydrophobicContact CB-CG 4.02Å; H212-L215 PolarHBondContact O-N 2.81Å; H212-A216 WeakPolarHBondContact O-CB 3.41Å; H212-A216 PolarHBondContact O-N 3.15Å; H212-Y262 AromaticContact CE1-CE1 3.64Å; H212-T406 VanDerWaalsContact CE1-CB 3.45Å; H212-T406 WeakPolarHBondContact CE1-CB 3.25Å; H212-T406 WeakPolarHBondContact CE1-CG2 3.39Å; H212-D407 PolarHBondContact CD2-O 3.17Å; H212-R411 PolarHBondContact NE2-N 3.2Å; H212-R411 PolarHBondContact NE2-O 3Å
213	P	97.9	Very high	97.5	Very high	48 Å²	48	31.9 Å²	31.9	31%	0.312	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-28	-171.4	-28.6	35.8	0	0	0	114.4	P217 Y262 Q410	P213-P217 WeakPolarHBondContact O-CD 3.36Å; P213-Y262 HydrophobicContact CB-CD1 4Å; P213-Y262 HydrophobicContact CB-CD2 4.25Å; P213-Y262 HydrophobicContact CB-CE1 3.95Å; P213-Y262 HydrophobicContact CB-CE2 4.19Å; P213-Y262 HydrophobicContact CB-CG 4.15Å; P213-Y262 HydrophobicContact CG-CE1 4.05Å; P213-Y262 HydrophobicContact CG-CE2 4.04Å; P213-Q410 HydrophobicContact CG-CB 4.36Å
214	D	98.1	Very high	97.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-19.4	180	-148.2	3.2	0	0	0	114.7	H212 A256 S257 N260 Y262 C263 I264 T406	H212-D214 VanDerWaalsContact CE1-CB 3.47Å; H212-D214 WeakPolarHBondContact CE1-CB 3.4Å; H212-D214 VanDerWaalsContact ND1-CB 3.31Å; H212-D214 WeakPolarHBondContact ND1-CB 3.39Å; H212-D214 PolarHBondContact ND1-N 3.5Å; H212-D214 PolarHBondContact O-N 2.7Å; D214-A256 WeakPolarHBondContact OD2-CB 3.35Å; D214-S257 WeakPolarHBondContact O-CB 3.44Å; D214-S257 PolarHBondContact O-N 2.74Å; D214-S257 PolarHBondContact O-OG 3.49Å; D214-S257 PolarHBondContact OD1-N 3.28Å; D214-N260 PolarHBondContact OD1-ND2 3.33Å; D214-Y262 HydrophobicContact CB-CD1 3.99Å; D214-Y262 HydrophobicContact CB-CE1 4.45Å; D214-C263 HydrophobicContact CB-CB 4.43Å; D214-C263 WeakPolarHBondContact OD2-CB 3.14Å; D214-I264 PolarHBondContact OD2-N 3.03Å; D214-T406 HydrophobicContact CB-CG2 3.71Å
215	L	98.7	Very high	97.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-34.2	-179.3	-57.1	178.9	0	0	0	111.7	I208 H212 P217 N218 Y219 T248 A251 T406	I208-L215 HydrophobicContact CD1-CD1 4.23Å; I208-L215 HydrophobicContact CG1-CD1 3.93Å; H212-L215 HydrophobicContact CB-CB 4.13Å; H212-L215 HydrophobicContact CB-CD1 3.99Å; H212-L215 HydrophobicContact CB-CG 4.02Å; H212-L215 PolarHBondContact O-N 2.81Å; L215-P217 VanDerWaalsContact C-N 3.33Å; L215-P217 VanDerWaalsContact O-N 3.17Å; L215-N218 CarbonylContact O-C 3.58Å; L215-N218 PolarHBondContact O-N 2.95Å; L215-Y219 PolarHBondContact O-N 2.79Å; L215-T248 HydrophobicContact CD1-CG2 4.29Å; L215-A251 HydrophobicContact CD1-CB 3.94Å; L215-A251 HydrophobicContact CD2-CB 4.12Å; L215-T406 HydrophobicContact CD2-CG2 4.13Å; L215-T406 HydrophobicContact CG-CG2 4.3Å
216	A	98.2	Very high	97.3	Very high	49 Å²	49	33.6 Å²	33.6	41%	0.405	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-33	-175	0	0	0	0	0	115.9	H212 N218	H212-A216 WeakPolarHBondContact O-CB 3.41Å; H212-A216 PolarHBondContact O-N 3.15Å; A216-N218 VanDerWaalsContact C-N 3.33Å
217	P	97.6	Very high	96.9	Very high	88 Å²	88	33.6 Å²	33.6	57%	0.571	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-29.4	174	-21.8	34.7	0	0	0	114.3	P213 L215 S257	P213-P217 WeakPolarHBondContact O-CD 3.36Å; L215-P217 VanDerWaalsContact C-N 3.33Å; L215-P217 VanDerWaalsContact O-N 3.17Å; P217-S257 WeakPolarHBondContact CD-OG 3.31Å; P217-S257 WeakPolarHBondContact CG-OG 3.43Å
218	N	98.7	Very high	96.4	Very high	24 Å²	24	35.7 Å²	35.7	13%	0.128	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-10	-177.2	-74.4	-21.2	0	0	0	113.3	L215 A216 A255 Y269 A271 K272 I273	L215-N218 CarbonylContact O-C 3.58Å; L215-N218 PolarHBondContact O-N 2.95Å; A216-N218 VanDerWaalsContact C-N 3.33Å; N218-A255 PolarHBondContact ND2-O 2.95Å; N218-Y269 PolarHBondContact ND2-O 3.35Å; N218-A271 WeakPolarHBondContact CB-O 3.32Å; N218-K272 WeakPolarHBondContact O-CA 3.24Å; N218-I273 HydrophobicContact CB-CG2 4.11Å; N218-I273 PolarHBondContact O-N 3.06Å
219	Y	98.7	Very high	95.7	Very high	46 Å²	46	37.7 Å²	37.7	18%	0.18	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-61.7	134.6	-176.5	172.8	-103.3	0	0	0	112.6	I208 R210 L215 S224 P234 I273	I208-Y219 HydrophobicContact CD1-CD2 4.38Å; I208-Y219 HydrophobicContact CG2-CD2 4.42Å; I208-Y219 HydrophobicContact CG2-CE2 3.96Å; R210-Y219 HydrophobicContact CB-CD1 3.83Å; R210-Y219 HydrophobicContact CB-CD2 3.57Å; R210-Y219 HydrophobicContact CB-CE1 3.71Å; R210-Y219 HydrophobicContact CB-CE2 3.44Å; R210-Y219 VanDerWaalsContact CB-CE2 3.44Å; R210-Y219 HydrophobicContact CB-CG 3.75Å; R210-Y219 HydrophobicContact CG-CE1 4.36Å; L215-Y219 PolarHBondContact O-N 2.79Å; Y219-S224 VanDerWaalsContact CE2-OG 3.29Å; Y219-S224 WeakPolarHBondContact CE2-OG 3.5Å; Y219-S224 WeakPolarHBondContact OH-CB 3.39Å; Y219-P234 HydrophobicContact CE2-CG 4.15Å; Y219-P234 VanDerWaalsContact OH-CD 3.31Å; Y219-P234 WeakPolarHBondContact OH-CD 3.19Å; Y219-P234 WeakPolarHBondContact OH-CG 3.4Å; Y219-I273 CarbonylContact C-O 3.42Å; Y219-I273 WeakPolarHBondContact CA-O 3.44Å
220	D	98.4	Very high	95.1	Very high	15 Å²	15	42.1 Å²	42.1	8%	0.08	23%	0.234	C	C	.	.			trans	-125.6	111.7	178	-168.8	-13.4	0	0	0	112.2	Y222 A223 S224 K272 I273 Y298	D220-Y222 PolarHBondContact O-N 2.88Å; D220-Y222 WeakPolarHBondContact OD1-CA 3.49Å; D220-Y222 WeakPolarHBondContact OD1-CB 3.49Å; D220-Y222 PolarHBondContact OD1-N 3Å; D220-A223 HydrophobicContact CB-CB 3.86Å; D220-A223 WeakPolarHBondContact O-CB 3.47Å; D220-A223 PolarHBondContact O-N 2.81Å; D220-A223 PolarHBondContact OD1-N 3.49Å; D220-S224 WeakPolarHBondContact O-CB 3.3Å; D220-S224 PolarHBondContact O-N 2.79Å; D220-S224 PolarHBondContact O-OG 2.89Å; D220-K272 HydrophobicContact CB-CB 4.06Å; D220-K272 HydrophobicContact CB-CD 4.07Å; D220-K272 WeakPolarHBondContact OD2-CD 3.31Å; D220-K272 IonicContact OD2-NZ 2.78Å; D220-K272 PolarHBondContact OD2-NZ 3.42Å; D220-I273 PolarHBondContact N-O 2.91Å; D220-Y298 VanDerWaalsContact OD2-CE1 3.31Å; D220-Y298 WeakPolarHBondContact OD2-CE1 3.34Å; D220-Y298 PolarHBondContact OD2-OH 3.24Å
221	S	97.1	Very high	94.9	Very high	72 Å²	72	40.7 Å²	40.7	50%	0.503	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-23.3	174.3	54.7	0	0	0	0	113.3	A223 S224 R295	S221-A223 VanDerWaalsContact C-N 3.34Å; S221-S224 PolarHBondContact O-N 3.27Å; S221-S224 VanDerWaalsContact O-O 3.13Å; S221-R295 PolarHBondContact O-NH1 3.2Å
222	Y	95.4	Very high	94.5	Very high	126 Å²	126	44.6 Å²	44.6	49%	0.494	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-8.5	172.2	-156.3	-110.3	0	0	0	112.8	D220 R295 Y298	D220-Y222 PolarHBondContact O-N 2.88Å; D220-Y222 WeakPolarHBondContact OD1-CA 3.49Å; D220-Y222 WeakPolarHBondContact OD1-CB 3.49Å; D220-Y222 PolarHBondContact OD1-N 3Å; Y222-R295 WeakPolarHBondContact O-CD 3.26Å; Y222-R295 PolarHBondContact O-NH1 2.95Å; Y222-Y298 AromaticContact CD1-CD1 3.46Å; Y222-Y298 HydrophobicContact CD1-CD1 3.46Å; Y222-Y298 VanDerWaalsContact CD1-CD1 3.46Å; Y222-Y298 AromaticContact CD1-CD2 3.74Å; Y222-Y298 HydrophobicContact CD1-CD2 3.74Å; Y222-Y298 AromaticContact CD1-CE1 3.65Å; Y222-Y298 HydrophobicContact CD1-CE1 3.65Å; Y222-Y298 AromaticContact CD1-CE2 3.92Å; Y222-Y298 HydrophobicContact CD1-CE2 3.92Å; Y222-Y298 AromaticContact CD1-CG 3.51Å; Y222-Y298 HydrophobicContact CD1-CG 3.51Å; Y222-Y298 AromaticContact CD1-CZ 3.88Å; Y222-Y298 HydrophobicContact CE1-CD1 4.09Å; Y222-Y298 AromaticContact CE1-CD2 3.95Å; Y222-Y298 HydrophobicContact CE1-CD2 3.95Å; Y222-Y298 AromaticContact CE1-CG 3.71Å; Y222-Y298 HydrophobicContact CE1-CG 3.71Å; Y222-Y298 HydrophobicContact CG-CD1 4.4Å; Y222-Y298 HydrophobicContact CG-CE1 4.34Å; Y222-Y298 WeakPolarHBondContact O-CD1 3.24Å
223	A	97.4	Very high	94.3	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	-88.2	-6.6	160.3	0	0	0	0	0	113	V200 T202 D220 S221 I299	V200-A223 HydrophobicContact CG1-CB 3.61Å; T202-A223 PolarHBondContact OG1-O 2.86Å; D220-A223 HydrophobicContact CB-CB 3.86Å; D220-A223 WeakPolarHBondContact O-CB 3.47Å; D220-A223 PolarHBondContact O-N 2.81Å; D220-A223 PolarHBondContact OD1-N 3.49Å; S221-A223 VanDerWaalsContact C-N 3.34Å; A223-I299 HydrophobicContact CB-CG1 4.4Å; A223-I299 WeakPolarHBondContact O-CD1 3.25Å
224	S	98.1	Very high	94.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.241	C	C	.	.			trans	-119.9	155.7	-164.9	-57.2	0	0	0	0	116.2	Y219 D220 S221 G274 G275 R295	Y219-S224 VanDerWaalsContact CE2-OG 3.29Å; Y219-S224 WeakPolarHBondContact CE2-OG 3.5Å; Y219-S224 WeakPolarHBondContact OH-CB 3.39Å; D220-S224 WeakPolarHBondContact O-CB 3.3Å; D220-S224 PolarHBondContact O-N 2.79Å; D220-S224 PolarHBondContact O-OG 2.89Å; S221-S224 PolarHBondContact O-N 3.27Å; S221-S224 VanDerWaalsContact O-O 3.13Å; S224-G274 WeakPolarHBondContact OG-CA 3.1Å; S224-G275 WeakPolarHBondContact CA-O 3.28Å; S224-G275 VanDerWaalsContact CB-O 3.23Å; S224-G275 WeakPolarHBondContact CB-O 3.35Å; S224-G275 PolarHBondContact OG-N 2.96Å; S224-R295 PolarHBondContact O-NH1 3.22Å; S224-R295 PolarHBondContact O-NH2 2.73Å
225	Y	95.9	Very high	94.1	Very high	41 Å²	41	46 Å²	46	16%	0.161	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	159.7	175.6	-164	-104.4	0	0	0	111	V227 D231 Y232 G275 I276 R277 I294	Y225-V227 HydrophobicContact CD1-CG2 3.77Å; Y225-V227 HydrophobicContact CE1-CG2 4.3Å; Y225-D231 WeakPolarHBondContact CD2-O 3.38Å; Y225-D231 WeakPolarHBondContact CE2-O 3.32Å; Y225-Y232 AromaticContact CD2-CD1 3.62Å; Y225-Y232 HydrophobicContact CD2-CD1 3.62Å; Y225-Y232 AromaticContact CD2-CE1 3.78Å; Y225-Y232 HydrophobicContact CD2-CE1 3.78Å; Y225-Y232 AromaticContact CE2-CD1 3.81Å; Y225-Y232 HydrophobicContact CE2-CD1 3.81Å; Y225-Y232 AromaticContact CE2-CE1 3.67Å; Y225-Y232 HydrophobicContact CE2-CE1 3.67Å; Y225-G275 PolarHBondContact N-O 2.99Å; Y225-G275 VanDerWaalsContact N-O 3.12Å; Y225-I276 VanDerWaalsContact O-CA 3.28Å; Y225-I276 WeakPolarHBondContact O-CA 3.41Å; Y225-R277 PolarHBondContact O-N 2.91Å; Y225-I294 HydrophobicContact CD1-CD1 3.89Å; Y225-I294 HydrophobicContact CG-CD1 3.98Å
226	D	96.6	Very high	93.9	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	113.9	165.9	-171.9	-13.6	0	0	0	110.1	N228 G229 N230 D231 R277	D226-N228 WeakPolarHBondContact OD1-CA 3.28Å; D226-N228 PolarHBondContact OD1-N 3.43Å; D226-G229 VanDerWaalsContact CG-N 3.28Å; D226-G229 PolarHBondContact OD1-N 3.47Å; D226-N230 CarbonylContact O-C 3.56Å; D226-N230 WeakPolarHBondContact O-CA 3.35Å; D226-N230 PolarHBondContact O-N 2.86Å; D226-D231 PolarHBondContact N-O 3.1Å; D226-D231 PolarHBondContact O-N 2.88Å; D226-R277 HydrophobicContact CB-CB 4.32Å; D226-R277 IonicContact OD2-CZ 3.46Å; D226-R277 IonicContact OD2-NE 2.61Å; D226-R277 IonicContact OD2-NH1 3.47Å; D226-R277 PolarHBondContact OD2-NH1 3.39Å
227	V	87.9	Confident	93.5	Very high	10 Å²	10	48.6 Å²	48.6	6%	0.061	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-26.8	178.8	-171.8	0	0	0	0	111.5	Y225 I276 R277 M278 V287 K290 I294	Y225-V227 HydrophobicContact CD1-CG2 3.77Å; Y225-V227 HydrophobicContact CE1-CG2 4.3Å; V227-I276 HydrophobicContact CG2-CG2 3.82Å; V227-R277 PolarHBondContact N-O 2.92Å; V227-M278 HydrophobicContact CB-CB 4.19Å; V227-M278 HydrophobicContact CG2-CB 4.41Å; V227-V287 HydrophobicContact CB-CG1 4.49Å; V227-V287 HydrophobicContact CG1-CB 4.23Å; V227-V287 HydrophobicContact CG1-CG1 3.86Å; V227-V287 HydrophobicContact CG1-CG2 4.22Å; V227-K290 HydrophobicContact CG1-CB 4.15Å; V227-K290 HydrophobicContact CG1-CD 3.94Å; V227-I294 HydrophobicContact CG2-CD1 4.06Å
228	N	84.5	Confident	93.1	Very high	46 Å²	46	48.9 Å²	48.9	25%	0.246	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-44.8	175.5	-55.1	118.9	0	0	0	110.7	D226 R277 M278 D280	D226-N228 WeakPolarHBondContact OD1-CA 3.28Å; D226-N228 PolarHBondContact OD1-N 3.43Å; N228-R277 PolarHBondContact OD1-O 3.45Å; N228-M278 PolarHBondContact ND2-O 3.38Å; N228-M278 WeakPolarHBondContact OD1-CA 3.46Å; N228-M278 PolarHBondContact OD1-N 3.04Å; N228-M278 PolarHBondContact OD1-O 3.4Å; N228-D280 PolarHBondContact OD1-N 3.3Å
229	G	84.4	Confident	92.4	Very high	43 Å²	43	49 Å²	49	44%	0.443	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-21.7	173.3	0	0	0	0	0	114.7	D226	D226-G229 VanDerWaalsContact CG-N 3.28Å; D226-G229 PolarHBondContact OD1-N 3.47Å
230	N	84.9	Confident	91.4	Very high	94 Å²	94	51.7 Å²	51.7	50%	0.503	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	46.4	-173.7	-167.4	95.9	0	0	0	112.6	D226	D226-N230 CarbonylContact O-C 3.56Å; D226-N230 WeakPolarHBondContact O-CA 3.35Å; D226-N230 PolarHBondContact O-N 2.86Å
231	D	90.1	Very high	90.3	Very high	71 Å²	71	54.1 Å²	54.1	38%	0.38	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-142.4	-165.5	176.8	77.4	72.2	0	0	0	112.9	Y225 D226 D233	Y225-D231 WeakPolarHBondContact CD2-O 3.38Å; Y225-D231 WeakPolarHBondContact CE2-O 3.32Å; D226-D231 PolarHBondContact N-O 3.1Å; D226-D231 PolarHBondContact O-N 2.88Å; D231-D233 WeakPolarHBondContact OD1-CB 3.35Å; D231-D233 PolarHBondContact OD1-N 3.44Å
232	Y	88.6	Confident	89.8	Confident	162 Å²	162	52.8 Å²	52.8	64%	0.635	28%	0.278	S	S	*	.	S	Bend	trans	-104	2.7	-171.9	-65.6	-68.9	0	0	0	114.6	Y225 P234	Y225-Y232 AromaticContact CD2-CD1 3.62Å; Y225-Y232 HydrophobicContact CD2-CD1 3.62Å; Y225-Y232 AromaticContact CD2-CE1 3.78Å; Y225-Y232 HydrophobicContact CD2-CE1 3.78Å; Y225-Y232 AromaticContact CE2-CD1 3.81Å; Y225-Y232 HydrophobicContact CE2-CD1 3.81Å; Y225-Y232 AromaticContact CE2-CE1 3.67Å; Y225-Y232 HydrophobicContact CE2-CE1 3.67Å; Y232-P234 WeakPolarHBondContact O-CD 3.08Å
233	D	92.8	Very high	89.2	Confident	51 Å²	51	52.3 Å²	52.3	27%	0.273	28%	0.28	S	S	.	.			trans	-106.5	95.9	-179	-165.7	-15.6	0	0	0	111.1	R210 D231 S235	R210-D233 WeakPolarHBondContact CD-OD1 3.49Å; R210-D233 IonicContact CZ-OD1 2.79Å; R210-D233 IonicContact CZ-OD2 3.8Å; R210-D233 VanDerWaalsContact NE-CG 3.26Å; R210-D233 IonicContact NE-OD1 3.54Å; R210-D233 PolarHBondContact NE-OD1 3.5Å; R210-D233 IonicContact NE-OD2 3.33Å; R210-D233 PolarHBondContact NE-OD2 3.13Å; R210-D233 IonicContact NH2-OD1 2.77Å; R210-D233 IonicContact NH2-OD2 3.38Å; R210-D233 PolarHBondContact NH2-OD2 2.86Å; D231-D233 WeakPolarHBondContact OD1-CB 3.35Å; D231-D233 PolarHBondContact OD1-N 3.44Å; D233-S235 PolarHBondContact O-N 3.09Å; D233-S235 VanDerWaalsContact OD1-CB 3.27Å; D233-S235 WeakPolarHBondContact OD1-CB 3.34Å; D233-S235 PolarHBondContact OD1-N 3.35Å; D233-S235 PolarHBondContact OD1-OG 3.31Å
234	P	96.1	Very high	88.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.283	C	S	.	.			trans	-74	17.6	-177.3	40.3	-45.9	0	0	0	113.3	G207 I208 Y219 Y232 G275 R277	G207-P234 CarbonylContact C-O 3.59Å; G207-P234 VanDerWaalsContact CA-O 3.23Å; G207-P234 WeakPolarHBondContact CA-O 3.43Å; I208-P234 HydrophobicContact CG2-CB 3.92Å; I208-P234 HydrophobicContact CG2-CG 3.43Å; I208-P234 VanDerWaalsContact CG2-CG 3.43Å; I208-P234 PolarHBondContact N-O 3.3Å; Y219-P234 HydrophobicContact CE2-CG 4.15Å; Y219-P234 VanDerWaalsContact OH-CD 3.31Å; Y219-P234 WeakPolarHBondContact OH-CD 3.19Å; Y219-P234 WeakPolarHBondContact OH-CG 3.4Å; Y232-P234 WeakPolarHBondContact O-CD 3.08Å; P234-G275 WeakPolarHBondContact CB-O 3.48Å; P234-R277 HydrophobicContact CB-CB 4.5Å
235	S	95.5	Very high	88.8	Confident	28 Å²	28	55.8 Å²	55.8	20%	0.196	30%	0.296	C	S	.	.			trans	-62.8	128.4	-174.8	-70	0	0	0	0	110.9	D233	D233-S235 PolarHBondContact O-N 3.09Å; D233-S235 VanDerWaalsContact OD1-CB 3.27Å; D233-S235 WeakPolarHBondContact OD1-CB 3.34Å; D233-S235 PolarHBondContact OD1-N 3.35Å; D233-S235 PolarHBondContact OD1-OG 3.31Å
236	P	95.3	Very high	88.8	Confident	3 Å²	3	55.9 Å²	55.9	2%	0.019	30%	0.298	C	S	.	.			trans	-64.1	144.5	179.6	25.3	-34.8	0	0	0	111.8	I208 E209 Y238 N244 L408	I208-P236 WeakPolarHBondContact O-CD 3.4Å; E209-P236 HydrophobicContact CB-CG 4.44Å; P236-Y238 WeakPolarHBondContact O-CD2 3.4Å; P236-Y238 PolarHBondContact O-N 3.22Å; P236-N244 HydrophobicContact CB-CB 3.73Å; P236-N244 WeakPolarHBondContact CB-O 3.48Å; P236-L408 HydrophobicContact CB-CD1 4.08Å; P236-L408 HydrophobicContact CG-CD1 3.37Å
237	R	90.4	Very high	88.8	Confident	99 Å²	99	55.8 Å²	55.8	37%	0.374	30%	0.298	S	S	.	.			trans	-72.4	113.1	173.4	174.4	-173.2	60	71.2	-2.2	109.9	D239 N244 D280	R237-D239 IonicContact CZ-OD2 2.6Å; R237-D239 IonicContact NH1-OD2 3.09Å; R237-D239 PolarHBondContact NH1-OD2 2.87Å; R237-D239 IonicContact NH2-OD2 2.67Å; R237-D239 PolarHBondContact NH2-OD2 2.84Å; R237-N244 VanDerWaalsContact CZ-ND2 3.31Å; R237-N244 PolarHBondContact NH2-ND2 2.68Å; R237-N244 VanDerWaalsContact NH2-ND2 3.11Å; R237-N244 PolarHBondContact O-ND2 3.17Å; R237-D280 WeakPolarHBondContact CB-OD2 3.5Å; R237-D280 IonicContact CZ-OD1 3.04Å; R237-D280 VanDerWaalsContact CZ-OD1 3.22Å; R237-D280 IonicContact CZ-OD2 2.57Å; R237-D280 IonicContact NE-OD1 2.95Å; R237-D280 PolarHBondContact NE-OD1 3.16Å; R237-D280 IonicContact NE-OD2 2.88Å; R237-D280 PolarHBondContact NE-OD2 3.44Å; R237-D280 IonicContact NH2-OD1 2.7Å; R237-D280 PolarHBondContact NH2-OD1 2.94Å; R237-D280 IonicContact NH2-OD2 3.68Å
238	Y	88.7	Confident	89.3	Confident	95 Å²	95	55.3 Å²	55.3	37%	0.373	30%	0.295	S	S	.	.			trans	-74.9	122.3	178.9	-60.5	-89.5	0	0	0	112.9	E209 P236 L408 R409	E209-Y238 WeakPolarHBondContact CG-OH 3.16Å; E209-Y238 WeakPolarHBondContact OE1-CE1 3.38Å; E209-Y238 PolarHBondContact OE1-OH 3.09Å; E209-Y238 VanDerWaalsContact OE1-OH 3.05Å; P236-Y238 WeakPolarHBondContact O-CD2 3.4Å; P236-Y238 PolarHBondContact O-N 3.22Å; Y238-L408 HydrophobicContact CD1-CD1 3.96Å; Y238-L408 HydrophobicContact CD1-CD2 4Å; Y238-L408 HydrophobicContact CD1-CG 3.89Å; Y238-L408 HydrophobicContact CE1-CD1 3.57Å; Y238-L408 HydrophobicContact CE1-CD2 4.42Å; Y238-L408 HydrophobicContact CE1-CG 3.83Å; Y238-R409 HydrophobicContact CD1-CG 3.95Å; Y238-R409 HydrophobicContact CE1-CG 4.08Å
239	D	82.8	Confident	90	Very high	27 Å²	27	54.4 Å²	54.4	14%	0.144	29%	0.288	C	S	.	.			trans	-131.1	177	173.8	51.8	33.1	0	0	0	112.2	R237 S241 N242 E243 R409	R237-D239 IonicContact CZ-OD2 2.6Å; R237-D239 IonicContact NH1-OD2 3.09Å; R237-D239 PolarHBondContact NH1-OD2 2.87Å; R237-D239 IonicContact NH2-OD2 2.67Å; R237-D239 PolarHBondContact NH2-OD2 2.84Å; D239-S241 PolarHBondContact OD1-OG 3.47Å; D239-N242 PolarHBondContact O-N 3.47Å; D239-N242 PolarHBondContact O-OD1 3.01Å; D239-N242 WeakPolarHBondContact OD1-CA 3.37Å; D239-N242 PolarHBondContact OD1-N 3.37Å; D239-E243 PolarHBondContact OD1-N 2.95Å; D239-R409 PolarHBondContact O-NH2 2.72Å
240	A	78.1	Confident	90.7	Very high	102 Å²	102	52.4 Å²	52.4	84%	0.843	27%	0.267	S	S	*	.	S	Bend	trans	-70.6	-33.2	-175.3	0	0	0	0	0	113.1	N242	A240-N242 VanDerWaalsContact C-N 3.34Å; A240-N242 PolarHBondContact O-ND2 3.14Å
241	S	76.2	Confident	91.3	Very high	66 Å²	66	48 Å²	48	46%	0.462	24%	0.243	S	C	.	.	S	Bend	trans	-73.8	-25.3	175.4	34.5	0	0	0	0	112.6	D239 E243	D239-S241 PolarHBondContact OD1-OG 3.47Å; S241-E243 WeakPolarHBondContact CB-OE1 3.46Å; S241-E243 VanDerWaalsContact OG-CD 3.29Å; S241-E243 PolarHBondContact OG-OE1 3.03Å
242	N	86.4	Confident	91.7	Very high	43 Å²	43	44.6 Å²	44.6	23%	0.23	23%	0.225	C	C	.	.			trans	57.7	52.7	-169.4	-46.7	-87.2	0	0	0	109.6	D239 A240 K245 L408 R409	D239-N242 PolarHBondContact O-N 3.47Å; D239-N242 PolarHBondContact O-OD1 3.01Å; D239-N242 WeakPolarHBondContact OD1-CA 3.37Å; D239-N242 PolarHBondContact OD1-N 3.37Å; A240-N242 VanDerWaalsContact C-N 3.34Å; A240-N242 PolarHBondContact O-ND2 3.14Å; N242-K245 HydrophobicContact CB-CD 4.42Å; N242-K245 WeakPolarHBondContact O-CD 3.28Å; N242-K245 WeakPolarHBondContact O-CE 3.34Å; N242-K245 WeakPolarHBondContact O-CG 3.47Å; N242-K245 PolarHBondContact O-NZ 3.32Å; N242-L408 HydrophobicContact CB-CD2 3.96Å; N242-R409 PolarHBondContact OD1-NE 3.48Å; N242-R409 PolarHBondContact OD1-NH2 3.19Å
243	E	82.3	Confident	92.2	Very high	116 Å²	116	37.1 Å²	37.1	54%	0.542	20%	0.196	S	C	.	.			trans	-61.4	-53.9	176.8	-83.7	148.9	-134.9	0	0	109.8	D239 S241 K245	D239-E243 PolarHBondContact OD1-N 2.95Å; S241-E243 WeakPolarHBondContact CB-OE1 3.46Å; S241-E243 VanDerWaalsContact OG-CD 3.29Å; S241-E243 PolarHBondContact OG-OE1 3.03Å; E243-K245 VanDerWaalsContact C-N 3.29Å; E243-K245 PolarHBondContact O-N 3.28Å; E243-K245 PolarHBondContact O-NZ 2.83Å
244	N	92.3	Very high	92.5	Very high	10 Å²	10	34.7 Å²	34.7	5%	0.053	18%	0.183	C	C	.	.	S	Bend	trans	-74.5	65.7	-178.9	-57	-49	0	0	0	113.9	D206 P236 R237 D280 L408	D206-N244 HydrophobicContact CB-CB 4.14Å; D206-N244 WeakPolarHBondContact OD2-CA 3.3Å; P236-N244 HydrophobicContact CB-CB 3.73Å; P236-N244 WeakPolarHBondContact CB-O 3.48Å; R237-N244 VanDerWaalsContact CZ-ND2 3.31Å; R237-N244 PolarHBondContact NH2-ND2 2.68Å; R237-N244 VanDerWaalsContact NH2-ND2 3.11Å; R237-N244 PolarHBondContact O-ND2 3.17Å; N244-D280 VanDerWaalsContact ND2-CG 3.26Å; N244-D280 PolarHBondContact ND2-OD1 3.12Å; N244-D280 VanDerWaalsContact ND2-OD1 3.12Å; N244-D280 PolarHBondContact ND2-OD2 3.03Å; N244-D280 PolarHBondContact OD1-OD1 2.9Å; N244-L408 WeakPolarHBondContact O-CD2 3.43Å
245	K	94.3	Very high	92.6	Very high	63 Å²	63	34.7 Å²	34.7	27%	0.274	18%	0.183	S	C	.	.			trans	-124.1	-9.2	179.8	68.2	-172.6	164.8	-60.6	0	113.4	D206 N242 E243 R249 L408	D206-K245 PolarHBondContact OD2-N 3.21Å; N242-K245 HydrophobicContact CB-CD 4.42Å; N242-K245 WeakPolarHBondContact O-CD 3.28Å; N242-K245 WeakPolarHBondContact O-CE 3.34Å; N242-K245 WeakPolarHBondContact O-CG 3.47Å; N242-K245 PolarHBondContact O-NZ 3.32Å; E243-K245 VanDerWaalsContact C-N 3.29Å; E243-K245 PolarHBondContact O-N 3.28Å; E243-K245 PolarHBondContact O-NZ 2.83Å; K245-R249 WeakPolarHBondContact O-CD 3.48Å; K245-R249 VanDerWaalsContact O-CG 3.26Å; K245-R249 WeakPolarHBondContact O-CG 3.49Å; K245-R249 PolarHBondContact O-N 2.79Å; K245-R249 VanDerWaalsContact O-N 3.16Å; K245-L408 HydrophobicContact CB-CB 3.71Å; K245-L408 HydrophobicContact CB-CD2 4.33Å
246	H	96.3	Very high	92.8	Very high	43 Å²	43	33.4 Å²	33.4	20%	0.199	17%	0.174	C	C	.	.	H	α-helix	trans	-73.4	-51.1	-165.7	-173.9	-90.4	0	0	0	111.4	D205 D206 T248 R249 C250 H416 S420	D205-H246 VanDerWaalsContact CG-ND1 3.27Å; D205-H246 WeakPolarHBondContact OD1-CB 3.17Å; D205-H246 IonicContact OD1-CG 2.77Å; D205-H246 IonicContact OD1-ND1 3.31Å; D205-H246 PolarHBondContact OD1-ND1 2.93Å; D205-H246 IonicContact OD2-CE1 3.72Å; D205-H246 PolarHBondContact OD2-CE1 2.93Å; D205-H246 IonicContact OD2-CG 3.74Å; D205-H246 IonicContact OD2-ND1 3.66Å; D205-H246 PolarHBondContact OD2-ND1 2.61Å; D206-H246 PolarHBondContact OD1-N 2.83Å; D206-H246 WeakPolarHBondContact OD2-CA 3.49Å; D206-H246 WeakPolarHBondContact OD2-CB 3.41Å; D206-H246 PolarHBondContact OD2-N 3.39Å; H246-T248 PolarHBondContact O-N 2.83Å; H246-R249 WeakPolarHBondContact O-CA 3.35Å; H246-R249 WeakPolarHBondContact O-CB 3.39Å; H246-R249 PolarHBondContact O-N 3.16Å; H246-C250 VanDerWaalsContact CE1-SG 3.51Å; H246-C250 PolarHBondContact O-N 2.81Å; H246-C250 PolarHBondContact O-SG 3.13Å; H246-H416 AromaticContact CD2-CE1 3.7Å; H246-H416 AromaticContact NE2-CE1 3.62Å; H246-S420 WeakPolarHBondContact NE2-CB 3.15Å
247	G	97.7	Very high	92.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.3	-32.8	176.3	0	0	0	0	0	113	D205 D206 G207 R249 A251	D205-G247 PolarHBondContact OD1-N 3.13Å; D206-G247 PolarHBondContact OD1-N 2.88Å; G207-G247 CarbonylContact O-C 3.41Å; G207-G247 VanDerWaalsContact O-C 3.23Å; G207-G247 VanDerWaalsContact O-CA 3.29Å; G207-G247 WeakPolarHBondContact O-CA 3.26Å; G247-R249 VanDerWaalsContact C-N 3.34Å; G247-R249 PolarHBondContact O-N 2.66Å; G247-A251 VanDerWaalsContact O-CB 3.31Å; G247-A251 WeakPolarHBondContact O-CB 3.36Å; G247-A251 PolarHBondContact O-N 2.89Å
248	T	98.6	Very high	93.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-67.3	-31.3	173.4	-63	0	0	0	0	112.7	G207 E209 L215 H246 T406	G207-T248 PolarHBondContact O-N 3.09Å; E209-T248 HydrophobicContact CB-CG2 3.69Å; E209-T248 PolarHBondContact N-OG1 2.97Å; L215-T248 HydrophobicContact CD1-CG2 4.29Å; H246-T248 PolarHBondContact O-N 2.83Å; T248-T406 PolarHBondContact O-OG1 2.8Å
249	R	98.4	Very high	93.5	Very high	27 Å²	27	29.2 Å²	29.2	10%	0.102	17%	0.17	C	C	.	.	H	α-helix	trans	-75.4	-46.7	174.2	-72.8	160.4	170.8	-123.7	-8.1	111.6	K245 H246 G247 A251 G252 E253 T405 T406 D407 T413	K245-R249 WeakPolarHBondContact O-CD 3.48Å; K245-R249 VanDerWaalsContact O-CG 3.26Å; K245-R249 WeakPolarHBondContact O-CG 3.49Å; K245-R249 PolarHBondContact O-N 2.79Å; K245-R249 VanDerWaalsContact O-N 3.16Å; H246-R249 WeakPolarHBondContact O-CA 3.35Å; H246-R249 WeakPolarHBondContact O-CB 3.39Å; H246-R249 PolarHBondContact O-N 3.16Å; G247-R249 VanDerWaalsContact C-N 3.34Å; G247-R249 PolarHBondContact O-N 2.66Å; R249-A251 VanDerWaalsContact C-N 3.3Å; R249-A251 PolarHBondContact O-N 3.15Å; R249-G252 PolarHBondContact O-N 3.07Å; R249-E253 PolarHBondContact O-N 3.39Å; R249-T405 HydrophobicContact CB-CG2 3.68Å; R249-T405 HydrophobicContact CG-CG2 4Å; R249-T405 WeakPolarHBondContact O-CG2 3.44Å; R249-T405 PolarHBondContact O-OG1 2.81Å; R249-T406 WeakPolarHBondContact CA-O 3.31Å; R249-T406 WeakPolarHBondContact CG-O 3.47Å; R249-D407 IonicContact CZ-OD1 3.73Å; R249-D407 IonicContact CZ-OD2 2.7Å; R249-D407 IonicContact NE-OD1 3.71Å; R249-D407 PolarHBondContact NE-OD1 3.11Å; R249-D407 IonicContact NE-OD2 3.12Å; R249-D407 IonicContact NH2-OD1 2.78Å; R249-D407 PolarHBondContact NH2-OD1 3.03Å; R249-D407 VanDerWaalsContact NH2-OD1 3.14Å; R249-D407 IonicContact NH2-OD2 3.9Å; R249-D407 PolarHBondContact NH2-OD2 3.22Å; R249-T413 HydrophobicContact CG-CG2 4.31Å; R249-T413 PolarHBondContact NH2-OG1 3.05Å
250	C	98.6	Very high	94	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.007	18%	0.177	C	C	.	.	H	α-helix	trans	-57.1	-41.8	175.1	-64	0	0	0	0	112.2	I203 H246 G252 E253 V254 P424	I203-C250 HydrophobicContact CD1-CB 4.12Å; I203-C250 HydrophobicContact CG1-CB 4.4Å; I203-C250 HydrophobicContact CG2-CB 3.93Å; H246-C250 VanDerWaalsContact CE1-SG 3.51Å; H246-C250 PolarHBondContact O-N 2.81Å; H246-C250 PolarHBondContact O-SG 3.13Å; C250-G252 VanDerWaalsContact C-N 3.31Å; C250-G252 PolarHBondContact O-N 2.51Å; C250-E253 PolarHBondContact O-N 3.06Å; C250-V254 PolarHBondContact O-N 2.97Å; C250-P424 HydrophobicContact CB-CB 4.18Å; C250-P424 HydrophobicContact CB-CG 3.55Å
251	A	98.8	Very high	94.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.2	-36.8	178.6	0	0	0	0	0	113.4	I203 I208 L215 G247 R249 V254 A255 I273	I203-A251 HydrophobicContact CG1-CB 4.05Å; I208-A251 HydrophobicContact CD1-CB 3.52Å; I208-A251 HydrophobicContact CG1-CB 3.92Å; L215-A251 HydrophobicContact CD1-CB 3.94Å; L215-A251 HydrophobicContact CD2-CB 4.12Å; G247-A251 VanDerWaalsContact O-CB 3.31Å; G247-A251 WeakPolarHBondContact O-CB 3.36Å; G247-A251 PolarHBondContact O-N 2.89Å; R249-A251 VanDerWaalsContact C-N 3.3Å; R249-A251 PolarHBondContact O-N 3.15Å; A251-V254 PolarHBondContact O-N 2.89Å; A251-A255 PolarHBondContact O-N 2.91Å; A251-I273 HydrophobicContact CB-CG1 3.92Å
252	G	98.6	Very high	95.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67.5	-39	177.5	0	0	0	0	0	113.3	R249 C250 V254 A255 A256 G266 T405 T406	R249-G252 PolarHBondContact O-N 3.07Å; C250-G252 VanDerWaalsContact C-N 3.31Å; C250-G252 PolarHBondContact O-N 2.51Å; G252-V254 VanDerWaalsContact C-N 3.27Å; G252-V254 PolarHBondContact O-N 2.65Å; G252-A255 PolarHBondContact O-N 3.47Å; G252-A256 WeakPolarHBondContact O-CB 3.4Å; G252-A256 PolarHBondContact O-N 3.33Å; G252-G266 VanDerWaalsContact O-CA 3.31Å; G252-G266 WeakPolarHBondContact O-CA 3.48Å; G252-T405 WeakPolarHBondContact CA-OG1 3.37Å; G252-T406 VanDerWaalsContact CA-OG1 3.23Å; G252-T406 WeakPolarHBondContact CA-OG1 3.37Å; G252-T406 PolarHBondContact N-OG1 2.82Å
253	E	98.6	Very high	96	Very high	6 Å²	6	27.5 Å²	27.5	3%	0.028	14%	0.143	C	C	.	.	H	α-helix	trans	-62.5	-37	177.4	-62.9	-165	-123.7	0	0	112.1	R249 C250 I267 I403 T405 H416 V421 P424 M425	R249-E253 PolarHBondContact O-N 3.39Å; C250-E253 PolarHBondContact O-N 3.06Å; E253-I267 PolarHBondContact O-N 3.38Å; E253-I403 HydrophobicContact CG-CG2 4.28Å; E253-I403 WeakPolarHBondContact OE2-CG2 3.41Å; E253-T405 HydrophobicContact CG-CG2 4.36Å; E253-T405 PolarHBondContact N-OG1 3.46Å; E253-H416 IonicContact OE1-CD2 3.66Å; E253-H416 PolarHBondContact OE1-CD2 3.28Å; E253-H416 IonicContact OE1-NE2 2.75Å; E253-V421 WeakPolarHBondContact OE2-CG1 3.41Å; E253-P424 HydrophobicContact CB-CB 4.18Å; E253-M425 VanDerWaalsContact OE2-CG 3.25Å; E253-M425 WeakPolarHBondContact OE2-CG 3.32Å
254	V	98.9	Very high	96.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-70.4	-59.3	172.1	-174.2	0	0	0	0	110.6	V201 I203 C250 A251 G252 G266 I267 A268 I273 P424 A427	V201-V254 HydrophobicContact CB-CG1 4Å; V201-V254 HydrophobicContact CG1-CG1 3.97Å; V201-V254 HydrophobicContact CG1-CG2 4.41Å; V201-V254 HydrophobicContact CG2-CG1 3.88Å; I203-V254 HydrophobicContact CD1-CG2 4.03Å; C250-V254 PolarHBondContact O-N 2.97Å; A251-V254 PolarHBondContact O-N 2.89Å; G252-V254 VanDerWaalsContact C-N 3.27Å; G252-V254 PolarHBondContact O-N 2.65Å; V254-G266 CarbonylContact O-C 3.58Å; V254-I267 PolarHBondContact O-N 2.96Å; V254-A268 CarbonylContact O-C 3.52Å; V254-A268 WeakPolarHBondContact O-CA 3.45Å; V254-A268 WeakPolarHBondContact O-CB 3.04Å; V254-A268 PolarHBondContact O-N 3.14Å; V254-I273 HydrophobicContact CB-CD1 4.02Å; V254-I273 HydrophobicContact CG1-CD1 4.04Å; V254-I273 HydrophobicContact CG2-CD1 4.42Å; V254-P424 HydrophobicContact CG2-CB 4.11Å; V254-P424 WeakPolarHBondContact CG2-O 3.39Å; V254-A427 HydrophobicContact CG2-CB 4.47Å
255	A	98.7	Very high	96.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-144.3	29.4	-157.1	0	0	0	0	0	115.6	N218 A251 G252 I273	N218-A255 PolarHBondContact ND2-O 2.95Å; A251-A255 PolarHBondContact O-N 2.91Å; G252-A255 PolarHBondContact O-N 3.47Å; A255-I273 HydrophobicContact CB-CB 3.74Å; A255-I273 HydrophobicContact CB-CG1 4.21Å; A255-I273 HydrophobicContact CB-CG2 4.03Å
256	A	98.6	Very high	97.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-53.2	142	161	0	0	0	0	0	111.2	D214 G252 I264 G266 Y269 T406	D214-A256 WeakPolarHBondContact OD2-CB 3.35Å; G252-A256 WeakPolarHBondContact O-CB 3.4Å; G252-A256 PolarHBondContact O-N 3.33Å; A256-I264 HydrophobicContact CB-CD1 3.55Å; A256-I264 HydrophobicContact CB-CG1 3.63Å; A256-G266 PolarHBondContact O-N 2.88Å; A256-Y269 WeakPolarHBondContact O-CA 3.46Å; A256-Y269 WeakPolarHBondContact O-CB 3.31Å; A256-T406 HydrophobicContact CB-CG2 4.21Å
257	S	97.9	Very high	97.2	Very high	8 Å²	8	16.5 Å²	16.5	6%	0.056	9%	0.092	C	C	.	.	P	Polyproline II helix	trans	-88.3	118.9	-163.1	-58.7	0	0	0	0	112.1	D214 P217 N260	D214-S257 WeakPolarHBondContact O-CB 3.44Å; D214-S257 PolarHBondContact O-N 2.74Å; D214-S257 PolarHBondContact O-OG 3.49Å; D214-S257 PolarHBondContact OD1-N 3.28Å; P217-S257 WeakPolarHBondContact CD-OG 3.31Å; P217-S257 WeakPolarHBondContact CG-OG 3.43Å; S257-N260 VanDerWaalsContact O-CG 3.25Å; S257-N260 PolarHBondContact O-ND2 3.48Å; S257-N260 VanDerWaalsContact O-ND2 3.09Å
258	A	96	Very high	97.2	Very high	27 Å²	27	16.5 Å²	16.5	22%	0.223	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	142.6	-179.6	0	0	0	0	0	114.5	F160 N260 V265 Y269	F160-A258 HydrophobicContact CD1-CB 3.85Å; F160-A258 HydrophobicContact CE1-CB 3.64Å; A258-N260 VanDerWaalsContact C-N 3.32Å; A258-N260 PolarHBondContact O-N 3.07Å; A258-V265 HydrophobicContact CB-CG1 4.01Å; A258-Y269 HydrophobicContact CB-CD1 4.24Å; A258-Y269 HydrophobicContact CB-CD2 3.4Å; A258-Y269 VanDerWaalsContact CB-CD2 3.4Å; A258-Y269 HydrophobicContact CB-CE2 3.8Å; A258-Y269 HydrophobicContact CB-CG 3.64Å
259	N	94.8	Very high	97.2	Very high	75 Å²	75	18 Å²	18	40%	0.401	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	25.6	170.9	-66	-78.4	0	0	0	115.9	F160 N161 D162	F160-N259 WeakPolarHBondContact CA-OD1 3.36Å; F160-N259 VanDerWaalsContact CD1-ND2 3.32Å; F160-N259 WeakPolarHBondContact CD1-ND2 3.48Å; N161-N259 PolarHBondContact N-OD1 2.89Å; N161-N259 PolarHBondContact ND2-O 3.1Å; N161-N259 VanDerWaalsContact OD1-C 3.23Å; N161-N259 WeakPolarHBondContact OD1-CA 3.48Å; N161-N259 PolarHBondContact OD1-O 2.87Å; D162-N259 VanDerWaalsContact CG-N 3.32Å; D162-N259 VanDerWaalsContact OD1-C 3.32Å; D162-N259 VanDerWaalsContact OD1-CA 3.23Å; D162-N259 WeakPolarHBondContact OD1-CA 3.35Å; D162-N259 PolarHBondContact OD1-N 3.36Å; D162-N259 VanDerWaalsContact OD1-N 3.14Å; D162-N259 WeakPolarHBondContact OD2-CA 3.25Å; D162-N259 PolarHBondContact OD2-N 3.03Å
260	N	94.3	Very high	97.2	Very high	56 Å²	56	20.3 Å²	20.3	30%	0.299	11%	0.112	S	C	.	.	S	Bend	trans	-86.9	-5.1	175.3	66.7	13.8	0	0	0	113.5	D162 D214 S257 A258 Y262	D162-N260 PolarHBondContact OD1-N 3.03Å; D162-N260 PolarHBondContact OD1-OD1 3.44Å; D162-N260 VanDerWaalsContact OD1-OD1 3.12Å; D214-N260 PolarHBondContact OD1-ND2 3.33Å; S257-N260 VanDerWaalsContact O-CG 3.25Å; S257-N260 PolarHBondContact O-ND2 3.48Å; S257-N260 VanDerWaalsContact O-ND2 3.09Å; A258-N260 VanDerWaalsContact C-N 3.32Å; A258-N260 PolarHBondContact O-N 3.07Å; N260-Y262 VanDerWaalsContact C-N 3.3Å; N260-Y262 WeakPolarHBondContact OD1-CA 3.35Å; N260-Y262 VanDerWaalsContact OD1-CB 3.28Å; N260-Y262 WeakPolarHBondContact OD1-CB 3.48Å; N260-Y262 PolarHBondContact OD1-N 3.41Å; N260-Y262 PolarHBondContact OD1-O 3.04Å
261	S	93.4	Very high	97.2	Very high	78 Å²	78	20.3 Å²	20.3	55%	0.545	11%	0.113	S	C	.	.	S	Bend	trans	66.1	28.8	-175.9	-56	0	0	0	0	113.8	N161 D162	N161-S261 WeakPolarHBondContact OD1-CA 3.33Å; N161-S261 PolarHBondContact OD1-N 3.06Å; N161-S261 PolarHBondContact OD1-OG 2.94Å; D162-S261 PolarHBondContact OD1-N 2.97Å
262	Y	93.7	Very high	97.2	Very high	66 Å²	66	24.5 Å²	24.5	26%	0.259	13%	0.131	S	C	.	.	S	Bend	trans	-137	146.9	-176.6	-165.5	-87.9	0	0	0	109.9	P163 H212 P213 D214 N260 I264 Q410	P163-Y262 VanDerWaalsContact CD-C 3.44Å; H212-Y262 AromaticContact CE1-CE1 3.64Å; P213-Y262 HydrophobicContact CB-CD1 4Å; P213-Y262 HydrophobicContact CB-CD2 4.25Å; P213-Y262 HydrophobicContact CB-CE1 3.95Å; P213-Y262 HydrophobicContact CB-CE2 4.19Å; P213-Y262 HydrophobicContact CB-CG 4.15Å; P213-Y262 HydrophobicContact CG-CE1 4.05Å; P213-Y262 HydrophobicContact CG-CE2 4.04Å; D214-Y262 HydrophobicContact CB-CD1 3.99Å; D214-Y262 HydrophobicContact CB-CE1 4.45Å; N260-Y262 VanDerWaalsContact C-N 3.3Å; N260-Y262 WeakPolarHBondContact OD1-CA 3.35Å; N260-Y262 VanDerWaalsContact OD1-CB 3.28Å; N260-Y262 WeakPolarHBondContact OD1-CB 3.48Å; N260-Y262 PolarHBondContact OD1-N 3.41Å; N260-Y262 PolarHBondContact OD1-O 3.04Å; Y262-I264 PolarHBondContact O-N 3.02Å; Y262-I264 VanDerWaalsContact O-N 3.08Å; Y262-Q410 PolarHBondContact OH-O 2.91Å
263	C	94.7	Very high	97.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.007	13%	0.131	C	C	.	.	S	Bend	trans	37.1	-107.1	-180	-126.3	0	0	0	0	117.3	I164 D214 C412	I164-C263 VanDerWaalsContact CB-O 3.23Å; I164-C263 WeakPolarHBondContact CB-O 3.43Å; I164-C263 PolarHBondContact N-O 3.39Å; D214-C263 HydrophobicContact CB-CB 4.43Å; D214-C263 WeakPolarHBondContact OD2-CB 3.14Å; C263-C412 WeakPolarHBondContact CA-SG 3.4Å; C263-C412 HydrophobicContact CB-CB 4.42Å; C263-C412 WeakPolarHBondContact CB-SG 3.35Å; C263-C412 WeakPolarHBondContact SG-CA 3.39Å; C263-C412 WeakPolarHBondContact SG-CB 3.49Å; C263-C412 CovalentContact SG-SG 2.03Å; C263-C412 PolarHBondContact SG-SG 3.34Å
264	I	96.3	Very high	97.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.129	C	C	.	.			trans	-136.1	-165.7	-159.4	58.7	133.7	0	0	0	111.1	I164 M168 D214 A256 Y262 V404 T406	I164-I264 HydrophobicContact CB-CG2 3.92Å; I164-I264 HydrophobicContact CG2-CG2 4.12Å; M168-I264 HydrophobicContact CE-CB 3.82Å; M168-I264 HydrophobicContact CE-CD1 3.9Å; M168-I264 HydrophobicContact CE-CG1 4.5Å; M168-I264 HydrophobicContact CE-CG2 4.27Å; M168-I264 HydrophobicContact SD-CB 3.78Å; M168-I264 HydrophobicContact SD-CG2 4.24Å; D214-I264 PolarHBondContact OD2-N 3.03Å; A256-I264 HydrophobicContact CB-CD1 3.55Å; A256-I264 HydrophobicContact CB-CG1 3.63Å; Y262-I264 PolarHBondContact O-N 3.02Å; Y262-I264 VanDerWaalsContact O-N 3.08Å; I264-V404 HydrophobicContact CG2-CB 4.19Å; I264-V404 HydrophobicContact CG2-CG2 4.16Å; I264-T406 HydrophobicContact CG1-CG2 4.43Å
265	V	97.2	Very high	97.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.129	C	C	.	.			trans	-134.6	119.3	174.2	-178.3	0	0	0	0	109.1	F160 D162 W165 M168 W190 A258 Y269	F160-V265 HydrophobicContact CB-CG2 3.94Å; F160-V265 HydrophobicContact CD1-CG1 4.1Å; F160-V265 HydrophobicContact CD1-CG2 3.69Å; F160-V265 HydrophobicContact CE1-CG1 3.9Å; F160-V265 HydrophobicContact CE1-CG2 4.35Å; F160-V265 HydrophobicContact CG-CG2 3.8Å; F160-V265 HydrophobicContact CZ-CG1 4.29Å; D162-V265 HydrophobicContact CB-CG2 4.19Å; D162-V265 WeakPolarHBondContact OD2-CG2 3.25Å; W165-V265 HydrophobicContact CE3-CB 4.29Å; W165-V265 HydrophobicContact CE3-CG2 4.14Å; W165-V265 HydrophobicContact CZ3-CB 4.5Å; M168-V265 VanDerWaalsContact CE-O 3.31Å; M168-V265 WeakPolarHBondContact CE-O 3.49Å; M168-V265 HydrophobicContact SD-CB 4.31Å; M168-V265 PolarHBondContact SD-N 3.26Å; M168-V265 VanDerWaalsContact SD-N 3.39Å; W190-V265 HydrophobicContact CH2-CB 4.36Å; W190-V265 HydrophobicContact CH2-CG1 3.7Å; W190-V265 HydrophobicContact CZ2-CG1 4.15Å; W190-V265 HydrophobicContact CZ3-CG1 4.41Å; A258-V265 HydrophobicContact CB-CG1 4.01Å; V265-Y269 HydrophobicContact CG1-CD1 3.56Å; V265-Y269 HydrophobicContact CG1-CE1 4.25Å; V265-Y269 HydrophobicContact CG1-CG 4.02Å
266	G	98.3	Very high	97.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.129	C	C	.	.			trans	-66.9	151.2	178.4	0	0	0	0	0	111.7	W190 G252 V254 A256 A268 Y269	W190-G266 WeakPolarHBondContact CZ2-O 3.49Å; G252-G266 VanDerWaalsContact O-CA 3.31Å; G252-G266 WeakPolarHBondContact O-CA 3.48Å; V254-G266 CarbonylContact O-C 3.58Å; A256-G266 PolarHBondContact O-N 2.88Å; G266-A268 PolarHBondContact O-N 2.68Å; G266-Y269 WeakPolarHBondContact O-CB 3.4Å; G266-Y269 WeakPolarHBondContact O-CD1 3.41Å; G266-Y269 PolarHBondContact O-N 3.02Å
267	I	98.6	Very high	97.2	Very high	2 Å²	2	26 Å²	26	1%	0.01	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-37	178.7	-70.7	172.1	0	0	0	111.3	L171 V186 W190 E253 V254 M425 G428 I429 L432	L171-I267 HydrophobicContact CD1-CG1 4.41Å; L171-I267 HydrophobicContact CD2-CD1 4.08Å; L171-I267 HydrophobicContact CD2-CG1 3.64Å; V186-I267 HydrophobicContact CG1-CG2 4.04Å; V186-I267 HydrophobicContact CG2-CG2 4.35Å; W190-I267 PolarHBondContact NE1-O 3.31Å; E253-I267 PolarHBondContact O-N 3.38Å; V254-I267 PolarHBondContact O-N 2.96Å; I267-M425 HydrophobicContact CD1-CB 3.9Å; I267-M425 HydrophobicContact CD1-CE 3.9Å; I267-M425 HydrophobicContact CD1-CG 4.1Å; I267-G428 VanDerWaalsContact CG2-C 3.47Å; I267-I429 HydrophobicContact CG2-CG1 3.74Å; I267-L432 HydrophobicContact CG2-CD1 4.19Å
268	A	98.7	Very high	97	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	57	177.5	0	0	0	0	0	110	T195 V254 G266 N270 A271 A431 L432	T195-A268 CarbonylContact O-C 3.49Å; T195-A268 VanDerWaalsContact O-CA 3.25Å; T195-A268 WeakPolarHBondContact O-CA 3.32Å; V254-A268 CarbonylContact O-C 3.52Å; V254-A268 WeakPolarHBondContact O-CA 3.45Å; V254-A268 WeakPolarHBondContact O-CB 3.04Å; V254-A268 PolarHBondContact O-N 3.14Å; G266-A268 PolarHBondContact O-N 2.68Å; A268-N270 PolarHBondContact O-N 3.03Å; A268-A271 HydrophobicContact CB-CB 3.83Å; A268-A271 VanDerWaalsContact O-CB 3.29Å; A268-A271 WeakPolarHBondContact O-CB 3.35Å; A268-A271 PolarHBondContact O-N 2.87Å; A268-A431 HydrophobicContact CB-CB 3.88Å; A268-L432 HydrophobicContact CB-CD2 4.22Å
269	Y	98.6	Very high	96.8	Very high	32 Å²	32	27 Å²	27	13%	0.125	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-1.9	-174.4	62.3	-104.4	0	0	0	117.1	F160 W190 T195 N218 A256 A258 V265 G266	F160-Y269 HydrophobicContact CE1-CE1 4.08Å; F160-Y269 AromaticContact CZ-CE1 3.96Å; F160-Y269 HydrophobicContact CZ-CE1 3.96Å; W190-Y269 HydrophobicContact CD2-CD1 4.47Å; W190-Y269 AromaticContact CD2-CE1 3.75Å; W190-Y269 HydrophobicContact CD2-CE1 3.75Å; W190-Y269 AromaticContact CE2-CD1 3.84Å; W190-Y269 AromaticContact CE2-CE1 3.55Å; W190-Y269 HydrophobicContact CE3-CE1 4.25Å; W190-Y269 HydrophobicContact CG-CE1 4.06Å; W190-Y269 HydrophobicContact CH2-CD1 4.36Å; W190-Y269 HydrophobicContact CH2-CE1 4.36Å; W190-Y269 AromaticContact CZ2-CD1 3.78Å; W190-Y269 HydrophobicContact CZ2-CD1 3.78Å; W190-Y269 AromaticContact CZ2-CE1 3.89Å; W190-Y269 HydrophobicContact CZ2-CE1 3.89Å; W190-Y269 AromaticContact NE1-CE1 3.78Å; T195-Y269 HydrophobicContact CG2-CE1 4.12Å; T195-Y269 HydrophobicContact CG2-CE2 3.78Å; T195-Y269 VanDerWaalsContact CG2-CZ 3.47Å; T195-Y269 VanDerWaalsContact CG2-OH 3.3Å; T195-Y269 WeakPolarHBondContact CG2-OH 3.34Å; T195-Y269 PolarHBondContact O-N 2.88Å; N218-Y269 PolarHBondContact ND2-O 3.35Å; A256-Y269 WeakPolarHBondContact O-CA 3.46Å; A256-Y269 WeakPolarHBondContact O-CB 3.31Å; A258-Y269 HydrophobicContact CB-CD1 4.24Å; A258-Y269 HydrophobicContact CB-CD2 3.4Å; A258-Y269 VanDerWaalsContact CB-CD2 3.4Å; A258-Y269 HydrophobicContact CB-CE2 3.8Å; A258-Y269 HydrophobicContact CB-CG 3.64Å; V265-Y269 HydrophobicContact CG1-CD1 3.56Å; V265-Y269 HydrophobicContact CG1-CE1 4.25Å; V265-Y269 HydrophobicContact CG1-CG 4.02Å; G266-Y269 WeakPolarHBondContact O-CB 3.4Å; G266-Y269 WeakPolarHBondContact O-CD1 3.41Å; G266-Y269 PolarHBondContact O-N 3.02Å
270	N	98.6	Very high	96.5	Very high	75 Å²	75	24.6 Å²	24.6	40%	0.401	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	7.1	169.4	-71.9	-41.6	0	0	0	113.1	T195 K197 A268	T195-N270 VanDerWaalsContact CB-ND2 3.31Å; T195-N270 WeakPolarHBondContact CB-ND2 3.43Å; T195-N270 PolarHBondContact O-N 3.39Å; T195-N270 PolarHBondContact OG1-ND2 3.14Å; K197-N270 HydrophobicContact CB-CB 4.29Å; A268-N270 PolarHBondContact O-N 3.03Å
271	A	98.8	Very high	95.9	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.008	13%	0.13	C	C	.	.	S	Bend	trans	-74.2	156.6	169	0	0	0	0	0	110.8	G196 N218 A268	G196-A271 WeakPolarHBondContact O-CA 3.5Å; G196-A271 WeakPolarHBondContact O-CB 2.95Å; N218-A271 WeakPolarHBondContact CB-O 3.32Å; A268-A271 HydrophobicContact CB-CB 3.83Å; A268-A271 VanDerWaalsContact O-CB 3.29Å; A268-A271 WeakPolarHBondContact O-CB 3.35Å; A268-A271 PolarHBondContact O-N 2.87Å
272	K	98.8	Very high	95.3	Very high	87 Å²	87	27.4 Å²	27.4	38%	0.378	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	139.3	168.6	-62	-160.5	-172.2	-177.9	0	110.2	V199 V200 V201 N218 D220 Y298	V199-K272 PolarHBondContact O-N 2.8Å; V200-K272 HydrophobicContact CG2-CB 4.34Å; V200-K272 HydrophobicContact CG2-CD 4.36Å; V201-K272 PolarHBondContact N-O 3.24Å; N218-K272 WeakPolarHBondContact O-CA 3.24Å; D220-K272 HydrophobicContact CB-CB 4.06Å; D220-K272 HydrophobicContact CB-CD 4.07Å; D220-K272 WeakPolarHBondContact OD2-CD 3.31Å; D220-K272 IonicContact OD2-NZ 2.78Å; D220-K272 PolarHBondContact OD2-NZ 3.42Å; K272-Y298 PolarHBondContact NZ-OH 2.8Å
273	I	98.8	Very high	94.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	123.1	-178.2	-165.8	60.6	0	0	0	111.9	V201 I203 I208 N218 Y219 D220 A251 V254 A255	V201-I273 HydrophobicContact CB-CD1 3.99Å; V201-I273 HydrophobicContact CG1-CD1 4.14Å; V201-I273 CarbonylContact O-C 3.59Å; V201-I273 WeakPolarHBondContact O-CA 3.27Å; I203-I273 HydrophobicContact CD1-CD1 4.16Å; I203-I273 HydrophobicContact CG1-CD1 4.01Å; I208-I273 HydrophobicContact CD1-CG1 4.12Å; I208-I273 HydrophobicContact CD1-CG2 4.36Å; N218-I273 HydrophobicContact CB-CG2 4.11Å; N218-I273 PolarHBondContact O-N 3.06Å; Y219-I273 CarbonylContact C-O 3.42Å; Y219-I273 WeakPolarHBondContact CA-O 3.44Å; D220-I273 PolarHBondContact N-O 2.91Å; A251-I273 HydrophobicContact CB-CG1 3.92Å; V254-I273 HydrophobicContact CB-CD1 4.02Å; V254-I273 HydrophobicContact CG1-CD1 4.04Å; V254-I273 HydrophobicContact CG2-CD1 4.42Å; A255-I273 HydrophobicContact CB-CB 3.74Å; A255-I273 HydrophobicContact CB-CG1 4.21Å; A255-I273 HydrophobicContact CB-CG2 4.03Å
274	G	98.6	Very high	94.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	168.3	170.6	0	0	0	0	0	112.7	V201 T202 I203 S224	V201-G274 PolarHBondContact O-N 3.22Å; T202-G274 WeakPolarHBondContact CA-O 3.34Å; T202-G274 PolarHBondContact OG1-O 2.9Å; I203-G274 PolarHBondContact N-O 3Å; S224-G274 WeakPolarHBondContact OG-CA 3.1Å
275	G	98.3	Very high	93.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	141	167.5	0	0	0	0	0	110.1	I203 S224 Y225 P234	I203-G275 CarbonylContact O-C 3.52Å; I203-G275 WeakPolarHBondContact O-CA 3.48Å; S224-G275 WeakPolarHBondContact CA-O 3.28Å; S224-G275 VanDerWaalsContact CB-O 3.23Å; S224-G275 WeakPolarHBondContact CB-O 3.35Å; S224-G275 PolarHBondContact OG-N 2.96Å; Y225-G275 PolarHBondContact N-O 2.99Å; Y225-G275 VanDerWaalsContact N-O 3.12Å; P234-G275 WeakPolarHBondContact CB-O 3.48Å
276	I	98.3	Very high	92.6	Very high	1 Å²	1	36 Å²	36	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	104.6	171.7	-67.9	166.7	0	0	0	106.1	T202 I203 L204 D205 Y225 V227 M278 I294 I299	T202-I276 HydrophobicContact CG2-CD1 3.92Å; I203-I276 PolarHBondContact O-N 2.77Å; L204-I276 HydrophobicContact CD2-CB 3.67Å; L204-I276 HydrophobicContact CD2-CD1 3.5Å; L204-I276 HydrophobicContact CD2-CG1 4.1Å; L204-I276 HydrophobicContact CD2-CG2 4.03Å; D205-I276 PolarHBondContact N-O 2.68Å; Y225-I276 VanDerWaalsContact O-CA 3.28Å; Y225-I276 WeakPolarHBondContact O-CA 3.41Å; V227-I276 HydrophobicContact CG2-CG2 3.82Å; I276-M278 HydrophobicContact CG2-CG 4.31Å; I276-M278 PolarHBondContact O-N 2.93Å; I276-I294 HydrophobicContact CD1-CB 3.78Å; I276-I294 HydrophobicContact CD1-CD1 3.75Å; I276-I294 HydrophobicContact CD1-CG1 4.39Å; I276-I294 HydrophobicContact CD1-CG2 3.76Å; I276-I294 HydrophobicContact CG1-CD1 3.98Å; I276-I294 HydrophobicContact CG1-CG2 4.48Å; I276-I294 HydrophobicContact CG2-CD1 3.76Å; I276-I299 HydrophobicContact CD1-CD1 4.46Å
277	R	97.8	Very high	91.9	Very high	37 Å²	37	36.9 Å²	36.9	14%	0.14	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	113	177.2	175.4	164.3	170.3	-124.5	-3.1	108.1	D205 D206 Y225 D226 V227 N228 P234 D280	D205-R277 WeakPolarHBondContact O-CA 3.36Å; D206-R277 WeakPolarHBondContact O-CD 3.38Å; D206-R277 WeakPolarHBondContact O-CG 3.36Å; Y225-R277 PolarHBondContact O-N 2.91Å; D226-R277 HydrophobicContact CB-CB 4.32Å; D226-R277 IonicContact OD2-CZ 3.46Å; D226-R277 IonicContact OD2-NE 2.61Å; D226-R277 IonicContact OD2-NH1 3.47Å; D226-R277 PolarHBondContact OD2-NH1 3.39Å; V227-R277 PolarHBondContact N-O 2.92Å; N228-R277 PolarHBondContact OD1-O 3.45Å; P234-R277 HydrophobicContact CB-CB 4.5Å; R277-D280 IonicContact CZ-OD2 3.14Å; R277-D280 IonicContact NE-OD2 3.03Å; R277-D280 PolarHBondContact NE-OD2 2.74Å; R277-D280 IonicContact NH2-OD2 2.72Å; R277-D280 PolarHBondContact NH2-OD2 3.48Å
278	M	94.1	Very high	91.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.209	C	C	.	.			trans	-142.7	-15.9	-177.4	54.9	78.4	60.1	0	0	114.4	D205 V227 N228 I276 V283 V287 S291 W306	D205-M278 PolarHBondContact O-N 3.09Å; V227-M278 HydrophobicContact CB-CB 4.19Å; V227-M278 HydrophobicContact CG2-CB 4.41Å; N228-M278 PolarHBondContact ND2-O 3.38Å; N228-M278 WeakPolarHBondContact OD1-CA 3.46Å; N228-M278 PolarHBondContact OD1-N 3.04Å; N228-M278 PolarHBondContact OD1-O 3.4Å; I276-M278 HydrophobicContact CG2-CG 4.31Å; I276-M278 PolarHBondContact O-N 2.93Å; M278-V283 HydrophobicContact CE-CG1 4.13Å; M278-V287 HydrophobicContact CB-CG1 3.9Å; M278-V287 HydrophobicContact CE-CG1 4.32Å; M278-S291 VanDerWaalsContact CB-OG 3.31Å; M278-S291 WeakPolarHBondContact CB-OG 3.35Å; M278-S291 WeakPolarHBondContact CG-OG 3.22Å; M278-W306 HydrophobicContact CE-CD2 4.33Å; M278-W306 HydrophobicContact CE-CH2 3.95Å; M278-W306 HydrophobicContact CE-CZ2 3.59Å; M278-W306 HydrophobicContact CE-CZ3 4.44Å; M278-W306 HydrophobicContact SD-CD2 4.47Å; M278-W306 HydrophobicContact SD-CZ2 4.06Å
279	L	91.3	Very high	90.7	Very high	56 Å²	56	38.6 Å²	38.6	29%	0.293	22%	0.217	S	C	.	.	S	Bend	trans	-89.1	-13.7	177.9	-60.3	-178.7	0	0	0	115.4	D205 D206 G281 V283 W306	D205-L279 HydrophobicContact CB-CD1 4.49Å; D205-L279 PolarHBondContact O-N 2.94Å; D205-L279 VanDerWaalsContact O-N 3.15Å; D206-L279 HydrophobicContact CB-CB 4.47Å; L279-G281 PolarHBondContact O-N 3.49Å; L279-V283 HydrophobicContact CD2-CG2 3.99Å; L279-W306 HydrophobicContact CD1-CB 4.17Å; L279-W306 HydrophobicContact CD1-CG 4.3Å; L279-W306 HydrophobicContact CD2-CB 4.04Å; L279-W306 HydrophobicContact CD2-CD2 4.42Å; L279-W306 HydrophobicContact CD2-CG 3.92Å
280	D	88.6	Confident	90.2	Very high	25 Å²	25	41.6 Å²	41.6	13%	0.134	23%	0.23	C	C	.	.	S	Bend	trans	-87.8	56.3	-178.1	-171.9	37.7	0	0	0	111.3	N228 R237 N244 R277	N228-D280 PolarHBondContact OD1-N 3.3Å; R237-D280 WeakPolarHBondContact CB-OD2 3.5Å; R237-D280 IonicContact CZ-OD1 3.04Å; R237-D280 VanDerWaalsContact CZ-OD1 3.22Å; R237-D280 IonicContact CZ-OD2 2.57Å; R237-D280 IonicContact NE-OD1 2.95Å; R237-D280 PolarHBondContact NE-OD1 3.16Å; R237-D280 IonicContact NE-OD2 2.88Å; R237-D280 PolarHBondContact NE-OD2 3.44Å; R237-D280 IonicContact NH2-OD1 2.7Å; R237-D280 PolarHBondContact NH2-OD1 2.94Å; R237-D280 IonicContact NH2-OD2 3.68Å; N244-D280 VanDerWaalsContact ND2-CG 3.26Å; N244-D280 PolarHBondContact ND2-OD1 3.12Å; N244-D280 VanDerWaalsContact ND2-OD1 3.12Å; N244-D280 PolarHBondContact ND2-OD2 3.03Å; N244-D280 PolarHBondContact OD1-OD1 2.9Å; R277-D280 IonicContact CZ-OD2 3.14Å; R277-D280 IonicContact NE-OD2 3.03Å; R277-D280 PolarHBondContact NE-OD2 2.74Å; R277-D280 IonicContact NH2-OD2 2.72Å; R277-D280 PolarHBondContact NH2-OD2 3.48Å
281	G	81.9	Confident	89.9	Confident	41 Å²	41	38 Å²	38	42%	0.423	21%	0.211	S	C	.	.	S	Bend	trans	161.5	-175.7	-177.5	0	0	0	0	0	112.5	L279 V283	L279-G281 PolarHBondContact O-N 3.49Å; G281-V283 PolarHBondContact O-N 2.97Å
282	D	80.6	Confident	89.6	Confident	151 Å²	151	38 Å²	38	81%	0.807	21%	0.211	S	C	*	.			trans	-64.1	105.9	-178	-63.8	-28.7	0	0	0	112.1
283	V	83.8	Confident	89.3	Confident	62 Å²	62	35.5 Å²	35.5	38%	0.376	21%	0.21	S	C	.	.			trans	-74	134.9	174.6	-173.3	0	0	0	0	109.8	M278 L279 G281 E288	M278-V283 HydrophobicContact CE-CG1 4.13Å; L279-V283 HydrophobicContact CD2-CG2 3.99Å; G281-V283 PolarHBondContact O-N 2.97Å; V283-E288 HydrophobicContact CG1-CG 4Å
284	T	82.4	Confident	88.9	Confident	66 Å²	66	36.5 Å²	36.5	41%	0.405	22%	0.215	S	C	.	.			trans	-148.5	161.6	-179.9	59.7	0	0	0	0	110.4	V286 V287 E288	T284-V286 PolarHBondContact O-N 2.89Å; T284-V287 CarbonylContact O-C 3.53Å; T284-V287 WeakPolarHBondContact O-CA 3.49Å; T284-V287 WeakPolarHBondContact O-CB 3.47Å; T284-V287 PolarHBondContact O-N 2.98Å; T284-V287 WeakPolarHBondContact OG1-CG2 3.46Å; T284-V287 PolarHBondContact OG1-N 3.12Å; T284-E288 WeakPolarHBondContact O-CG 3.35Å; T284-E288 PolarHBondContact O-N 2.75Å
285	D	82.5	Confident	88.7	Confident	43 Å²	43	38.9 Å²	38.9	23%	0.23	22%	0.224	C	C	.	.	H	α-helix	trans	-48.1	-31.4	173.8	-170.9	26.3	0	0	0	113.1	A289 G319 R320 L321 A322	D285-A289 WeakPolarHBondContact O-CB 3.26Å; D285-A289 PolarHBondContact O-N 3.21Å; D285-G319 VanDerWaalsContact CG-CA 3.49Å; D285-G319 WeakPolarHBondContact OD1-CA 3.35Å; D285-R320 PolarHBondContact OD1-N 2.92Å; D285-R320 PolarHBondContact OD2-N 3.32Å; D285-L321 VanDerWaalsContact CG-N 3.33Å; D285-L321 WeakPolarHBondContact OD1-CA 3.48Å; D285-L321 WeakPolarHBondContact OD1-CB 3.36Å; D285-L321 PolarHBondContact OD1-N 2.03Å; D285-L321 WeakPolarHBondContact OD2-CG 3.34Å; D285-L321 PolarHBondContact OD2-N 3.26Å; D285-A322 PolarHBondContact OD1-N 3.33Å
286	V	78.1	Confident	88.4	Confident	76 Å²	76	39.5 Å²	39.5	46%	0.461	23%	0.228	S	C	.	.	H	α-helix	trans	-74.8	-40.6	174.8	178.8	0	0	0	0	112.4	T284 K290 L321	T284-V286 PolarHBondContact O-N 2.89Å; V286-K290 WeakPolarHBondContact O-CB 3.07Å; V286-K290 VanDerWaalsContact O-CG 3.27Å; V286-K290 WeakPolarHBondContact O-CG 3.35Å; V286-K290 PolarHBondContact O-N 3.12Å; V286-L321 HydrophobicContact CG2-CD1 3.68Å
287	V	82.7	Confident	88.3	Confident	20 Å²	20	43.6 Å²	43.6	12%	0.121	25%	0.25	C	S	.	.	H	α-helix	trans	-67.4	-45.8	176.7	168.6	0	0	0	0	110.2	V227 M278 T284 S291	V227-V287 HydrophobicContact CB-CG1 4.49Å; V227-V287 HydrophobicContact CG1-CB 4.23Å; V227-V287 HydrophobicContact CG1-CG1 3.86Å; V227-V287 HydrophobicContact CG1-CG2 4.22Å; M278-V287 HydrophobicContact CB-CG1 3.9Å; M278-V287 HydrophobicContact CE-CG1 4.32Å; T284-V287 CarbonylContact O-C 3.53Å; T284-V287 WeakPolarHBondContact O-CA 3.49Å; T284-V287 WeakPolarHBondContact O-CB 3.47Å; T284-V287 PolarHBondContact O-N 2.98Å; T284-V287 WeakPolarHBondContact OG1-CG2 3.46Å; T284-V287 PolarHBondContact OG1-N 3.12Å; V287-S291 WeakPolarHBondContact O-CB 3.48Å; V287-S291 PolarHBondContact O-N 3.42Å; V287-S291 PolarHBondContact O-OG 2.9Å
288	E	86.6	Confident	88.3	Confident	18 Å²	18	45 Å²	45	8%	0.084	26%	0.256	C	S	.	.	H	α-helix	trans	-58.8	-52.7	174.1	-66.9	159.7	-144.4	0	0	111.7	V283 T284 K290 S291 L292 W306 A322 Y360	V283-E288 HydrophobicContact CG1-CG 4Å; T284-E288 WeakPolarHBondContact O-CG 3.35Å; T284-E288 PolarHBondContact O-N 2.75Å; E288-K290 VanDerWaalsContact C-N 3.33Å; E288-K290 PolarHBondContact O-N 3.27Å; E288-S291 WeakPolarHBondContact O-CA 3.26Å; E288-S291 WeakPolarHBondContact O-CB 3.28Å; E288-S291 PolarHBondContact O-N 2.82Å; E288-L292 WeakPolarHBondContact O-CB 3.22Å; E288-L292 WeakPolarHBondContact O-CG 3.27Å; E288-L292 PolarHBondContact O-N 3.38Å; E288-W306 HydrophobicContact CB-CH2 4.43Å; E288-W306 HydrophobicContact CG-CH2 4.02Å; E288-W306 HydrophobicContact CG-CZ3 4.07Å; E288-A322 HydrophobicContact CB-CB 3.87Å; E288-A322 VanDerWaalsContact OE2-CB 3.26Å; E288-A322 WeakPolarHBondContact OE2-CB 3.09Å; E288-Y360 VanDerWaalsContact CD-OH 3.23Å; E288-Y360 PolarHBondContact OE1-OH 2.86Å; E288-Y360 PolarHBondContact OE2-OH 2.71Å
289	A	86.7	Confident	88.5	Confident	19 Å²	19	45 Å²	45	16%	0.157	26%	0.256	C	S	.	.	H	α-helix	trans	-64	-36.6	-177.9	0	0	0	0	0	113	D285 G293 L321 A325	D285-A289 WeakPolarHBondContact O-CB 3.26Å; D285-A289 PolarHBondContact O-N 3.21Å; A289-G293 PolarHBondContact O-N 3.01Å; A289-L321 VanDerWaalsContact CB-C 3.44Å; A289-L321 HydrophobicContact CB-CB 3.47Å; A289-L321 VanDerWaalsContact CB-CB 3.47Å; A289-A325 HydrophobicContact CB-CB 4.17Å
290	K	86	Confident	88.9	Confident	95 Å²	95	43.6 Å²	43.6	41%	0.413	25%	0.249	S	C	.	.	H	α-helix	trans	-60.5	-50.1	168.7	-80.6	179.1	176.3	-172.2	0	110.4	V227 V286 E288 G293 I294	V227-K290 HydrophobicContact CG1-CB 4.15Å; V227-K290 HydrophobicContact CG1-CD 3.94Å; V286-K290 WeakPolarHBondContact O-CB 3.07Å; V286-K290 VanDerWaalsContact O-CG 3.27Å; V286-K290 WeakPolarHBondContact O-CG 3.35Å; V286-K290 PolarHBondContact O-N 3.12Å; E288-K290 VanDerWaalsContact C-N 3.33Å; E288-K290 PolarHBondContact O-N 3.27Å; K290-G293 CarbonylContact O-C 3.57Å; K290-G293 PolarHBondContact O-N 2.91Å; K290-G293 VanDerWaalsContact O-N 3.1Å; K290-I294 WeakPolarHBondContact O-CG1 3.4Å; K290-I294 PolarHBondContact O-N 3.42Å; K290-I294 VanDerWaalsContact O-N 3.07Å
291	S	93.7	Very high	89.4	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.6	-51	-176	-57.9	0	0	0	0	112.4	M278 V287 E288 G293 I294	M278-S291 VanDerWaalsContact CB-OG 3.31Å; M278-S291 WeakPolarHBondContact CB-OG 3.35Å; M278-S291 WeakPolarHBondContact CG-OG 3.22Å; V287-S291 WeakPolarHBondContact O-CB 3.48Å; V287-S291 PolarHBondContact O-N 3.42Å; V287-S291 PolarHBondContact O-OG 2.9Å; E288-S291 WeakPolarHBondContact O-CA 3.26Å; E288-S291 WeakPolarHBondContact O-CB 3.28Å; E288-S291 PolarHBondContact O-N 2.82Å; S291-G293 PolarHBondContact O-N 3.45Å; S291-I294 PolarHBondContact O-N 2.99Å
292	L	92.8	Very high	90.2	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-63.6	-28.7	174.6	-67.4	167.2	0	0	0	112.8	L204 E288 A322 A325 F326 F341 W343	L204-L292 HydrophobicContact CD1-CD2 3.95Å; E288-L292 WeakPolarHBondContact O-CB 3.22Å; E288-L292 WeakPolarHBondContact O-CG 3.27Å; E288-L292 PolarHBondContact O-N 3.38Å; L292-A322 HydrophobicContact CD1-CB 4.09Å; L292-A325 HydrophobicContact CB-CB 3.71Å; L292-A325 HydrophobicContact CD1-CB 4.27Å; L292-F326 HydrophobicContact CD1-CD1 4.45Å; L292-F326 HydrophobicContact CD1-CD2 3.86Å; L292-F326 HydrophobicContact CD1-CE1 4.22Å; L292-F326 HydrophobicContact CD1-CE2 3.6Å; L292-F326 HydrophobicContact CD1-CG 4.28Å; L292-F326 HydrophobicContact CD1-CZ 3.8Å; L292-F326 HydrophobicContact CD2-CD1 4.12Å; L292-F326 HydrophobicContact CD2-CE1 3.56Å; L292-F326 HydrophobicContact CD2-CE2 4.37Å; L292-F326 HydrophobicContact CD2-CZ 3.71Å; L292-F326 HydrophobicContact CG-CZ 4.43Å; L292-F341 HydrophobicContact CB-CE1 4.4Å; L292-F341 HydrophobicContact CD2-CD1 3.75Å; L292-F341 HydrophobicContact CD2-CE1 3.6Å; L292-W343 HydrophobicContact CD2-CH2 3.97Å; L292-W343 HydrophobicContact CD2-CZ3 4.03Å
293	G	91.1	Very high	91	Very high	35 Å²	35	33.3 Å²	33.3	36%	0.361	18%	0.184	S	C	.	.	H	α-helix	trans	-91.6	-1.2	-176.8	0	0	0	0	0	116	A289 K290 S291 R295 P296	A289-G293 PolarHBondContact O-N 3.01Å; K290-G293 CarbonylContact O-C 3.57Å; K290-G293 PolarHBondContact O-N 2.91Å; K290-G293 VanDerWaalsContact O-N 3.1Å; S291-G293 PolarHBondContact O-N 3.45Å; G293-R295 PolarHBondContact O-N 2.8Å; G293-P296 VanDerWaalsContact O-CD 3.3Å; G293-P296 WeakPolarHBondContact O-CD 3.43Å
294	I	90.9	Very high	91.7	Very high	21 Å²	21	30.4 Å²	30.4	11%	0.108	17%	0.167	C	C	.	.	S	Bend	trans	-69.8	116.7	180	-80.3	155.2	0	0	0	110.6	Y225 V227 I276 K290 S291 P296 I299 Y302	Y225-I294 HydrophobicContact CD1-CD1 3.89Å; Y225-I294 HydrophobicContact CG-CD1 3.98Å; V227-I294 HydrophobicContact CG2-CD1 4.06Å; I276-I294 HydrophobicContact CD1-CB 3.78Å; I276-I294 HydrophobicContact CD1-CD1 3.75Å; I276-I294 HydrophobicContact CD1-CG1 4.39Å; I276-I294 HydrophobicContact CD1-CG2 3.76Å; I276-I294 HydrophobicContact CG1-CD1 3.98Å; I276-I294 HydrophobicContact CG1-CG2 4.48Å; I276-I294 HydrophobicContact CG2-CD1 3.76Å; K290-I294 WeakPolarHBondContact O-CG1 3.4Å; K290-I294 PolarHBondContact O-N 3.42Å; K290-I294 VanDerWaalsContact O-N 3.07Å; S291-I294 PolarHBondContact O-N 2.99Å; I294-P296 VanDerWaalsContact C-CD 3.45Å; I294-I299 HydrophobicContact CG2-CD1 4.09Å; I294-Y302 PolarHBondContact O-OH 3.39Å
295	R	94.2	Very high	92.1	Very high	50 Å²	50	28.1 Å²	28.1	19%	0.189	15%	0.153	C	C	.	.			trans	45	50.3	168.4	-56.7	172.2	-168.8	130.8	-0.5	115.5	S221 Y222 S224 G293 N297 Y298 I299	S221-R295 PolarHBondContact O-NH1 3.2Å; Y222-R295 WeakPolarHBondContact O-CD 3.26Å; Y222-R295 PolarHBondContact O-NH1 2.95Å; S224-R295 PolarHBondContact O-NH1 3.22Å; S224-R295 PolarHBondContact O-NH2 2.73Å; G293-R295 PolarHBondContact O-N 2.8Å; R295-N297 PolarHBondContact O-N 2.81Å; R295-Y298 PolarHBondContact O-N 2.94Å; R295-I299 PolarHBondContact O-N 2.89Å; R295-I299 VanDerWaalsContact O-N 3.09Å
296	P	93.5	Very high	92.7	Very high	12 Å²	12	27.4 Å²	27.4	8%	0.078	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-8.5	-174.9	29.1	-38.1	0	0	0	115.2	G293 I294 Y302 Y328 G333 R334 S339	G293-P296 VanDerWaalsContact O-CD 3.3Å; G293-P296 WeakPolarHBondContact O-CD 3.43Å; I294-P296 VanDerWaalsContact C-CD 3.45Å; P296-Y302 WeakPolarHBondContact CA-OH 3.47Å; P296-Y328 HydrophobicContact CG-CD1 4.22Å; P296-Y328 HydrophobicContact CG-CE1 3.9Å; P296-G333 CarbonylContact O-C 3.58Å; P296-G333 WeakPolarHBondContact O-CA 3.42Å; P296-R334 PolarHBondContact O-N 2.9Å; P296-S339 WeakPolarHBondContact CB-OG 3.48Å
297	N	95.1	Very high	93.5	Very high	88 Å²	88	25.3 Å²	25.3	47%	0.471	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	3.3	170.6	-80.1	-44	0	0	0	114.1	R295 K332 Q335	R295-N297 PolarHBondContact O-N 2.81Å; N297-K332 PolarHBondContact OD1-O 3.44Å; N297-K332 VanDerWaalsContact OD1-O 3.07Å; N297-Q335 WeakPolarHBondContact OD1-CA 3.46Å; N297-Q335 PolarHBondContact OD1-N 2.84Å
298	Y	97.6	Very high	94	Very high	66 Å²	66	25.7 Å²	25.7	26%	0.259	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-42	178.6	-178.1	-99.5	0	0	0	112.5	V200 D220 Y222 K272 R295	V200-Y298 HydrophobicContact CB-CE1 4.43Å; V200-Y298 WeakPolarHBondContact CB-O 3.4Å; V200-Y298 HydrophobicContact CG1-CD1 4.01Å; V200-Y298 HydrophobicContact CG1-CE1 3.74Å; V200-Y298 HydrophobicContact CG2-CD1 4.41Å; V200-Y298 HydrophobicContact CG2-CE1 3.91Å; V200-Y298 WeakPolarHBondContact CG2-O 3.48Å; D220-Y298 VanDerWaalsContact OD2-CE1 3.31Å; D220-Y298 WeakPolarHBondContact OD2-CE1 3.34Å; D220-Y298 PolarHBondContact OD2-OH 3.24Å; Y222-Y298 AromaticContact CD1-CD1 3.46Å; Y222-Y298 HydrophobicContact CD1-CD1 3.46Å; Y222-Y298 VanDerWaalsContact CD1-CD1 3.46Å; Y222-Y298 AromaticContact CD1-CD2 3.74Å; Y222-Y298 HydrophobicContact CD1-CD2 3.74Å; Y222-Y298 AromaticContact CD1-CE1 3.65Å; Y222-Y298 HydrophobicContact CD1-CE1 3.65Å; Y222-Y298 AromaticContact CD1-CE2 3.92Å; Y222-Y298 HydrophobicContact CD1-CE2 3.92Å; Y222-Y298 AromaticContact CD1-CG 3.51Å; Y222-Y298 HydrophobicContact CD1-CG 3.51Å; Y222-Y298 AromaticContact CD1-CZ 3.88Å; Y222-Y298 HydrophobicContact CE1-CD1 4.09Å; Y222-Y298 AromaticContact CE1-CD2 3.95Å; Y222-Y298 HydrophobicContact CE1-CD2 3.95Å; Y222-Y298 AromaticContact CE1-CG 3.71Å; Y222-Y298 HydrophobicContact CE1-CG 3.71Å; Y222-Y298 HydrophobicContact CG-CD1 4.4Å; Y222-Y298 HydrophobicContact CG-CE1 4.34Å; Y222-Y298 WeakPolarHBondContact O-CD1 3.24Å; K272-Y298 PolarHBondContact NZ-OH 2.8Å; R295-Y298 PolarHBondContact O-N 2.94Å
299	I	98.6	Very high	94.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.172	C	C	.	.			trans	-80.8	125.5	175.6	-57.2	178.4	0	0	0	108.5	V200 T202 A223 I276 I294 R295 I301 Y302	V200-I299 HydrophobicContact CG1-CB 4.44Å; V200-I299 HydrophobicContact CG1-CG1 4.18Å; T202-I299 HydrophobicContact CG2-CD1 3.99Å; T202-I299 HydrophobicContact CG2-CG2 3.75Å; A223-I299 HydrophobicContact CB-CG1 4.4Å; A223-I299 WeakPolarHBondContact O-CD1 3.25Å; I276-I299 HydrophobicContact CD1-CD1 4.46Å; I294-I299 HydrophobicContact CG2-CD1 4.09Å; R295-I299 PolarHBondContact O-N 2.89Å; R295-I299 VanDerWaalsContact O-N 3.09Å; I299-I301 WeakPolarHBondContact CG2-O 3.26Å; I299-Y302 HydrophobicContact CB-CE1 4.44Å; I299-Y302 HydrophobicContact CB-CE2 4.01Å; I299-Y302 HydrophobicContact CD1-CE1 4.2Å; I299-Y302 HydrophobicContact CG2-CD1 4.38Å; I299-Y302 HydrophobicContact CG2-CD2 4.04Å; I299-Y302 HydrophobicContact CG2-CE1 4.1Å; I299-Y302 HydrophobicContact CG2-CE2 3.69Å; I299-Y302 HydrophobicContact CG2-CG 4.36Å
300	D	98.8	Very high	94.4	Very high	26 Å²	26	32.5 Å²	32.5	14%	0.139	18%	0.179	C	C	.	.			trans	-81.3	-48.5	175.9	-67.2	-78	0	0	0	111.2	V199 V200 R334 I340 L434	V199-D300 HydrophobicContact CG1-CB 3.87Å; V200-D300 PolarHBondContact N-OD2 3.28Å; V200-D300 WeakPolarHBondContact O-CB 3.49Å; V200-D300 PolarHBondContact O-N 2.87Å; D300-R334 WeakPolarHBondContact O-CD 3.44Å; D300-R334 IonicContact OD1-CZ 3.61Å; D300-R334 IonicContact OD1-NE 3.61Å; D300-R334 PolarHBondContact OD1-NE 3.24Å; D300-R334 IonicContact OD1-NH2 3.59Å; D300-R334 PolarHBondContact OD1-NH2 3.12Å; D300-R334 VanDerWaalsContact OD1-NH2 3.09Å; D300-I340 PolarHBondContact O-N 3Å; D300-I340 VanDerWaalsContact O-N 3.09Å; D300-L434 HydrophobicContact CB-CD1 3.75Å
301	I	98.9	Very high	94.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	131.4	-168.6	-52.8	167.9	0	0	0	110.3	V199 V200 V201 T202 I299 I340 V342 A427 I430 A431 L434	V199-I301 HydrophobicContact CG1-CD1 4.18Å; V200-I301 PolarHBondContact O-N 2.9Å; V200-I301 VanDerWaalsContact O-N 3.13Å; V201-I301 CarbonylContact C-O 3.54Å; V201-I301 WeakPolarHBondContact CA-O 3.39Å; V201-I301 HydrophobicContact CG1-CB 4.19Å; V201-I301 HydrophobicContact CG1-CG2 4.32Å; V201-I301 HydrophobicContact CG2-CB 4.23Å; V201-I301 HydrophobicContact CG2-CD1 4.18Å; T202-I301 PolarHBondContact N-O 2.85Å; I299-I301 WeakPolarHBondContact CG2-O 3.26Å; I301-I340 CarbonylContact C-O 3.38Å; I301-I340 WeakPolarHBondContact CA-O 3.32Å; I301-I340 HydrophobicContact CG1-CB 4.33Å; I301-I340 HydrophobicContact CG1-CD1 4.37Å; I301-I340 HydrophobicContact CG2-CG2 4.42Å; I301-V342 HydrophobicContact CG2-CG2 3.86Å; I301-A427 WeakPolarHBondContact CD1-O 3.27Å; I301-A427 HydrophobicContact CG2-CB 3.76Å; I301-I430 HydrophobicContact CD1-CB 3.91Å; I301-I430 HydrophobicContact CD1-CG2 3.63Å; I301-I430 HydrophobicContact CG1-CG2 4.23Å; I301-A431 HydrophobicContact CD1-CB 3.98Å; I301-L434 HydrophobicContact CD1-CD1 3.9Å; I301-L434 HydrophobicContact CG1-CD1 3.92Å
302	Y	98.9	Very high	94.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117	173.5	-62.3	-104.8	0	0	0	107.7	T202 L204 I294 P296 I299 I340 F341 V342	T202-Y302 HydrophobicContact CG2-CD1 3.45Å; T202-Y302 VanDerWaalsContact CG2-CD1 3.45Å; T202-Y302 HydrophobicContact CG2-CE1 3.93Å; T202-Y302 HydrophobicContact CG2-CG 4.01Å; L204-Y302 HydrophobicContact CD1-CD1 4.23Å; L204-Y302 HydrophobicContact CD2-CD1 4.12Å; L204-Y302 HydrophobicContact CG-CD1 4.38Å; I294-Y302 PolarHBondContact O-OH 3.39Å; P296-Y302 WeakPolarHBondContact CA-OH 3.47Å; I299-Y302 HydrophobicContact CB-CE1 4.44Å; I299-Y302 HydrophobicContact CB-CE2 4.01Å; I299-Y302 HydrophobicContact CD1-CE1 4.2Å; I299-Y302 HydrophobicContact CG2-CD1 4.38Å; I299-Y302 HydrophobicContact CG2-CD2 4.04Å; I299-Y302 HydrophobicContact CG2-CE1 4.1Å; I299-Y302 HydrophobicContact CG2-CE2 3.69Å; I299-Y302 HydrophobicContact CG2-CG 4.36Å; Y302-I340 PolarHBondContact N-O 3.09Å; Y302-F341 HydrophobicContact CD1-CE1 4.27Å; Y302-F341 HydrophobicContact CD2-CD1 4.1Å; Y302-F341 AromaticContact CD2-CE1 3.85Å; Y302-F341 HydrophobicContact CD2-CE1 3.85Å; Y302-F341 HydrophobicContact CD2-CZ 4.47Å; Y302-F341 HydrophobicContact CE2-CE1 4.35Å; Y302-F341 AromaticContact CG-CD1 3.92Å; Y302-F341 HydrophobicContact CG-CD1 3.92Å; Y302-F341 AromaticContact CG-CE1 3.82Å; Y302-F341 HydrophobicContact CG-CE1 3.82Å; Y302-F341 CarbonylContact O-C 3.54Å; Y302-F341 WeakPolarHBondContact O-CA 3.47Å; Y302-V342 PolarHBondContact O-N 3.13Å
303	S	98.8	Very high	94.8	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.014	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	127.4	173.3	-168.9	0	0	0	0	109.5	T202 L204 P424	T202-S303 PolarHBondContact O-N 2.83Å; L204-S303 PolarHBondContact N-O 2.99Å; S303-P424 WeakPolarHBondContact OG-CA 3.16Å; S303-P424 WeakPolarHBondContact OG-CD 3.45Å
304	A	97	Very high	95	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.008	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	154.2	177.9	0	0	0	0	0	110.7	L204 W306 V342 W343 A344	L204-A304 HydrophobicContact CB-CB 4.14Å; L204-A304 HydrophobicContact CD1-CB 4.38Å; A304-W306 HydrophobicContact CB-CZ2 4.49Å; A304-V342 PolarHBondContact N-O 2.77Å; A304-W343 HydrophobicContact CB-CD2 3.74Å; A304-W343 HydrophobicContact CB-CE3 3.66Å; A304-W343 HydrophobicContact CB-CH2 3.46Å; A304-W343 VanDerWaalsContact CB-CH2 3.46Å; A304-W343 HydrophobicContact CB-CZ2 3.54Å; A304-W343 HydrophobicContact CB-CZ3 3.52Å; A304-W343 WeakPolarHBondContact O-CA 3.18Å; A304-A344 PolarHBondContact O-N 2.61Å
305	S	92.7	Very high	95.3	Very high	18 Å²	18	34.1 Å²	34.1	13%	0.126	18%	0.182	C	C	.	.			trans	-147.9	33.3	-174.6	-66	0	0	0	0	112.3	S420	S305-S420 WeakPolarHBondContact OG-CA 3.14Å; S305-S420 PolarHBondContact OG-O 3.23Å
306	W	94.3	Very high	95.4	Very high	28 Å²	28	36.4 Å²	36.4	11%	0.106	20%	0.198	C	C	.	.			trans	-129.6	156.9	179.5	49.4	-96.1	0	0	0	110	L204 M278 L279 E288 A304 W343 Y360	L204-W306 HydrophobicContact CB-CZ2 4.46Å; L204-W306 HydrophobicContact CD1-CZ2 4.37Å; L204-W306 PolarHBondContact O-NE1 2.92Å; M278-W306 HydrophobicContact CE-CD2 4.33Å; M278-W306 HydrophobicContact CE-CH2 3.95Å; M278-W306 HydrophobicContact CE-CZ2 3.59Å; M278-W306 HydrophobicContact CE-CZ3 4.44Å; M278-W306 HydrophobicContact SD-CD2 4.47Å; M278-W306 HydrophobicContact SD-CZ2 4.06Å; L279-W306 HydrophobicContact CD1-CB 4.17Å; L279-W306 HydrophobicContact CD1-CG 4.3Å; L279-W306 HydrophobicContact CD2-CB 4.04Å; L279-W306 HydrophobicContact CD2-CD2 4.42Å; L279-W306 HydrophobicContact CD2-CG 3.92Å; E288-W306 HydrophobicContact CB-CH2 4.43Å; E288-W306 HydrophobicContact CG-CH2 4.02Å; E288-W306 HydrophobicContact CG-CZ3 4.07Å; A304-W306 HydrophobicContact CB-CZ2 4.49Å; W306-W343 HydrophobicContact CD2-CZ2 4.04Å; W306-W343 AromaticContact CE2-CZ2 3.87Å; W306-W343 AromaticContact CE3-CZ2 3.99Å; W306-W343 HydrophobicContact CE3-CZ2 3.99Å; W306-W343 AromaticContact CH2-CH2 3.78Å; W306-W343 HydrophobicContact CH2-CH2 3.78Å; W306-W343 AromaticContact CH2-CZ2 3.68Å; W306-W343 HydrophobicContact CH2-CZ2 3.68Å; W306-W343 AromaticContact CZ2-CH2 3.67Å; W306-W343 HydrophobicContact CZ2-CH2 3.67Å; W306-W343 AromaticContact CZ2-CZ2 3.71Å; W306-W343 HydrophobicContact CZ2-CZ2 3.71Å; W306-W343 HydrophobicContact CZ3-CH2 4.38Å; W306-W343 AromaticContact CZ3-CZ2 3.82Å; W306-W343 HydrophobicContact CZ3-CZ2 3.82Å; W306-W343 PolarHBondContact O-NE1 3.03Å; W306-Y360 HydrophobicContact CH2-CE1 4.2Å; W306-Y360 HydrophobicContact CZ3-CD1 4.02Å; W306-Y360 AromaticContact CZ3-CE1 3.61Å; W306-Y360 HydrophobicContact CZ3-CE1 3.61Å; W306-Y360 AromaticContact CZ3-CZ 3.95Å
307	G	94.4	Very high	95.4	Very high	32 Å²	32	36.1 Å²	36.1	33%	0.33	20%	0.197	S	C	.	.			trans	-164.8	-155.8	-177.8	0	0	0	0	0	109.7
308	P	93.3	Very high	95.4	Very high	28 Å²	28	32 Å²	32	18%	0.182	18%	0.176	C	C	.	.	S	Bend	trans	-65.3	177.7	165	-12.6	29.7	0	0	0	111.7	D310 T314 D316 D358	P308-D310 PolarHBondContact O-N 3.38Å; P308-T314 HydrophobicContact CB-CG2 3.53Å; P308-D316 HydrophobicContact CB-CB 4.19Å; P308-D316 HydrophobicContact CG-CB 4.08Å; P308-D316 VanDerWaalsContact CG-O 3.26Å; P308-D316 WeakPolarHBondContact CG-O 3.38Å; P308-D358 WeakPolarHBondContact CD-OD2 3.35Å; P308-D358 HydrophobicContact CG-CB 4.32Å
309	D	88.9	Confident	94.9	Very high	125 Å²	125	30 Å²	30	67%	0.668	18%	0.176	S	C	*	.			trans	-64.7	119.3	172.4	-76.7	-37.7	0	0	0	111.3	D311 T314	D309-D311 HydrophobicContact CB-CB 4.16Å; D309-D311 PolarHBondContact O-N 3.35Å; D309-T314 PolarHBondContact O-OG1 3.38Å
310	D	93.9	Very high	94.5	Very high	55 Å²	55	39.2 Å²	39.2	29%	0.294	21%	0.21	S	C	.	.			trans	-62.2	41.2	173.9	-72.4	-11.3	0	0	0	113.4	P308 N347 G348	P308-D310 PolarHBondContact O-N 3.38Å; D310-N347 VanDerWaalsContact CG-N 3.3Å; D310-N347 WeakPolarHBondContact OD2-CA 3.41Å; D310-N347 WeakPolarHBondContact OD2-CB 3.22Å; D310-N347 PolarHBondContact OD2-N 3.12Å; D310-N347 PolarHBondContact OD2-ND2 3.06Å; D310-G348 VanDerWaalsContact O-CA 3.24Å; D310-G348 WeakPolarHBondContact O-CA 3.44Å
311	D	90.7	Very high	93.8	Very high	40 Å²	40	41.2 Å²	41.2	21%	0.214	22%	0.22	C	C	.	.	S	Bend	trans	-102.3	-2	-158.1	91.2	-35.6	0	0	0	116	D309 K313 T314 L576	D309-D311 HydrophobicContact CB-CB 4.16Å; D309-D311 PolarHBondContact O-N 3.35Å; D311-K313 VanDerWaalsContact CG-NZ 3.28Å; D311-K313 PolarHBondContact O-NZ 3.31Å; D311-K313 WeakPolarHBondContact OD1-CA 3.35Å; D311-K313 VanDerWaalsContact OD1-CB 3.28Å; D311-K313 WeakPolarHBondContact OD1-CB 3.46Å; D311-K313 PolarHBondContact OD1-N 2.8Å; D311-K313 WeakPolarHBondContact OD2-CD 3.29Å; D311-K313 WeakPolarHBondContact OD2-CE 3.5Å; D311-K313 VanDerWaalsContact OD2-CG 3.31Å; D311-K313 WeakPolarHBondContact OD2-CG 3.27Å; D311-K313 IonicContact OD2-NZ 3.66Å; D311-K313 PolarHBondContact OD2-NZ 2.82Å; D311-T314 PolarHBondContact OD1-N 2.86Å; D311-T314 PolarHBondContact OD1-OG1 2.91Å; D311-L576 WeakPolarHBondContact O-CD1 3.36Å
312	G	94.1	Very high	93.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	82.2	9.7	-175.3	0	0	0	0	0	114.8	D353 D577	G312-D353 WeakPolarHBondContact CA-OD2 3.4Å; G312-D353 PolarHBondContact N-OD2 3.12Å; G312-D577 PolarHBondContact O-N 3.4Å; G312-D577 VanDerWaalsContact O-N 3.14Å
313	K	95.4	Very high	93.1	Very high	78 Å²	78	46.2 Å²	46.2	34%	0.339	24%	0.242	S	C	.	.	S	Bend	trans	-140.8	-37.8	-168.2	-37.4	178.7	-156.9	59	0	113.8	D311 R553 R574 L576	D311-K313 VanDerWaalsContact CG-NZ 3.28Å; D311-K313 PolarHBondContact O-NZ 3.31Å; D311-K313 WeakPolarHBondContact OD1-CA 3.35Å; D311-K313 VanDerWaalsContact OD1-CB 3.28Å; D311-K313 WeakPolarHBondContact OD1-CB 3.46Å; D311-K313 PolarHBondContact OD1-N 2.8Å; D311-K313 WeakPolarHBondContact OD2-CD 3.29Å; D311-K313 WeakPolarHBondContact OD2-CE 3.5Å; D311-K313 VanDerWaalsContact OD2-CG 3.31Å; D311-K313 WeakPolarHBondContact OD2-CG 3.27Å; D311-K313 IonicContact OD2-NZ 3.66Å; D311-K313 PolarHBondContact OD2-NZ 2.82Å; K313-R553 PolarHBondContact O-NH2 2.93Å; K313-R574 PolarHBondContact O-NH2 2.74Å; K313-L576 HydrophobicContact CD-CB 4.25Å; K313-L576 HydrophobicContact CG-CB 3.72Å; K313-L576 WeakPolarHBondContact CG-O 3.26Å
314	T	94.7	Very high	92.7	Very high	37 Å²	37	51 Å²	51	23%	0.227	26%	0.264	C	S	.	.			trans	-62.5	148.8	-176.2	-56	0	0	0	0	111.6	P308 D309 D311 D316 R574	P308-T314 HydrophobicContact CB-CG2 3.53Å; D309-T314 PolarHBondContact O-OG1 3.38Å; D311-T314 PolarHBondContact OD1-N 2.86Å; D311-T314 PolarHBondContact OD1-OG1 2.91Å; T314-D316 HydrophobicContact CG2-CB 4.21Å; T314-R574 VanDerWaalsContact O-CZ 3.25Å; T314-R574 PolarHBondContact O-NH1 2.82Å; T314-R574 PolarHBondContact O-NH2 2.88Å
315	V	97.5	Very high	92.6	Very high	30 Å²	30	51.4 Å²	51.4	18%	0.182	27%	0.268	C	S	.	.			trans	-142.3	100	168.2	177.9	0	0	0	0	105.8	C357 F583 W586	V315-C357 HydrophobicContact CG2-CB 4.19Å; V315-F583 HydrophobicContact CG1-CD1 4.13Å; V315-F583 HydrophobicContact CG1-CE1 3.87Å; V315-F583 HydrophobicContact CG2-CE1 3.93Å; V315-W586 HydrophobicContact CG1-CD2 3.74Å; V315-W586 HydrophobicContact CG1-CE3 3.66Å; V315-W586 HydrophobicContact CG1-CH2 3.81Å; V315-W586 HydrophobicContact CG1-CZ2 3.89Å; V315-W586 HydrophobicContact CG1-CZ3 3.68Å
316	D	95.7	Very high	92.8	Very high	98 Å²	98	50.6 Å²	50.6	52%	0.524	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-154.1	168.2	-177	-156.7	6	0	0	0	111.3	P308 T314 C357 G359 W586	P308-D316 HydrophobicContact CB-CB 4.19Å; P308-D316 HydrophobicContact CG-CB 4.08Å; P308-D316 VanDerWaalsContact CG-O 3.26Å; P308-D316 WeakPolarHBondContact CG-O 3.38Å; T314-D316 HydrophobicContact CG2-CB 4.21Å; D316-C357 PolarHBondContact N-O 3.19Å; D316-G359 PolarHBondContact O-N 3.16Å; D316-W586 WeakPolarHBondContact O-CH2 3.41Å
317	G	94.8	Very high	92.9	Very high	6 Å²	6	52.9 Å²	52.9	6%	0.062	27%	0.274	C	S	.	.			trans	-172.9	-173.6	-176.5	0	0	0	0	0	112.4	G319	G317-G319 PolarHBondContact O-N 2.84Å
318	P	93.4	Very high	92.9	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.013	28%	0.282	C	S	.	.			trans	-56.2	132.8	-169.3	17.7	-28.6	0	0	0	111.5	A322 K323 F326 G359 Y360	P318-A322 HydrophobicContact CB-CB 3.59Å; P318-K323 HydrophobicContact CB-CG 3.99Å; P318-K323 HydrophobicContact CG-CG 3.92Å; P318-K323 WeakPolarHBondContact O-CD 3.34Å; P318-K323 VanDerWaalsContact O-CE 3.28Å; P318-K323 WeakPolarHBondContact O-CE 3.29Å; P318-K323 WeakPolarHBondContact O-CG 3.3Å; P318-K323 PolarHBondContact O-NZ 2.76Å; P318-F326 HydrophobicContact CB-CD2 4.27Å; P318-F326 HydrophobicContact CB-CE2 3.95Å; P318-F326 HydrophobicContact CG-CD2 4.34Å; P318-F326 HydrophobicContact CG-CE2 4.03Å; P318-G359 VanDerWaalsContact CD-O 3.31Å; P318-G359 WeakPolarHBondContact CD-O 3.26Å; P318-Y360 HydrophobicContact CB-CD1 3.9Å; P318-Y360 HydrophobicContact CB-CE1 3.5Å; P318-Y360 HydrophobicContact CG-CD1 3.97Å; P318-Y360 HydrophobicContact CG-CE1 4.04Å; P318-Y360 HydrophobicContact CG-CG 4.44Å
319	G	88.9	Confident	93.1	Very high	25 Å²	25	56.2 Å²	56.2	26%	0.258	27%	0.274	S	S	.	.			trans	-65	-169.5	177.3	0	0	0	0	0	113	D285 G317 L321 K323	D285-G319 VanDerWaalsContact CG-CA 3.49Å; D285-G319 WeakPolarHBondContact OD1-CA 3.35Å; G317-G319 PolarHBondContact O-N 2.84Å; G319-L321 VanDerWaalsContact C-N 3.35Å; G319-L321 PolarHBondContact O-N 3.37Å; G319-K323 WeakPolarHBondContact O-CB 3.5Å; G319-K323 WeakPolarHBondContact O-CG 3.45Å; G319-K323 PolarHBondContact O-N 2.73Å
320	R	90.3	Very high	93.5	Very high	192 Å²	192	50.8 Å²	50.8	73%	0.725	25%	0.245	S	C	*	.	H	α-helix	trans	-66.8	-41.1	-176.5	179.3	178.6	173.4	-178	-0.8	110.9	D285 Q324	D285-R320 PolarHBondContact OD1-N 2.92Å; D285-R320 PolarHBondContact OD2-N 3.32Å; R320-Q324 VanDerWaalsContact O-CG 3.32Å; R320-Q324 WeakPolarHBondContact O-CG 3.44Å; R320-Q324 PolarHBondContact O-N 3.39Å
321	L	83.8	Confident	93.5	Very high	68 Å²	68	53.1 Å²	53.1	36%	0.356	25%	0.252	S	S	.	.	H	α-helix	trans	-76.1	-40.4	-178	-55	175.2	0	0	0	110.5	D285 V286 A289 G319 Q324 A325	D285-L321 VanDerWaalsContact CG-N 3.33Å; D285-L321 WeakPolarHBondContact OD1-CA 3.48Å; D285-L321 WeakPolarHBondContact OD1-CB 3.36Å; D285-L321 PolarHBondContact OD1-N 2.03Å; D285-L321 WeakPolarHBondContact OD2-CG 3.34Å; D285-L321 PolarHBondContact OD2-N 3.26Å; V286-L321 HydrophobicContact CG2-CD1 3.68Å; A289-L321 VanDerWaalsContact CB-C 3.44Å; A289-L321 HydrophobicContact CB-CB 3.47Å; A289-L321 VanDerWaalsContact CB-CB 3.47Å; G319-L321 VanDerWaalsContact C-N 3.35Å; G319-L321 PolarHBondContact O-N 3.37Å; L321-Q324 CarbonylContact O-C 3.47Å; L321-Q324 WeakPolarHBondContact O-CB 3.17Å; L321-Q324 PolarHBondContact O-N 3.37Å; L321-A325 WeakPolarHBondContact O-CB 3.42Å; L321-A325 PolarHBondContact O-N 3.32Å
322	A	89.6	Confident	93.8	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.3	-42.8	176.4	0	0	0	0	0	111.8	D285 E288 L292 P318 Q324 A325 F326	D285-A322 PolarHBondContact OD1-N 3.33Å; E288-A322 HydrophobicContact CB-CB 3.87Å; E288-A322 VanDerWaalsContact OE2-CB 3.26Å; E288-A322 WeakPolarHBondContact OE2-CB 3.09Å; L292-A322 HydrophobicContact CD1-CB 4.09Å; P318-A322 HydrophobicContact CB-CB 3.59Å; A322-Q324 VanDerWaalsContact C-N 3.33Å; A322-Q324 PolarHBondContact O-N 2.75Å; A322-A325 WeakPolarHBondContact O-CB 3.27Å; A322-A325 PolarHBondContact O-N 3.06Å; A322-A325 VanDerWaalsContact O-N 3.13Å; A322-F326 VanDerWaalsContact O-CD2 3.26Å; A322-F326 WeakPolarHBondContact O-CD2 3.42Å; A322-F326 PolarHBondContact O-N 3Å
323	K	92.3	Very high	93.9	Very high	106 Å²	106	57 Å²	57	46%	0.461	27%	0.267	S	S	.	.	H	α-helix	trans	-59.3	-42	171	-77.9	173.9	170.6	118.1	0	112.1	P318 G319 A325 F326 E327	P318-K323 HydrophobicContact CB-CG 3.99Å; P318-K323 HydrophobicContact CG-CG 3.92Å; P318-K323 WeakPolarHBondContact O-CD 3.34Å; P318-K323 VanDerWaalsContact O-CE 3.28Å; P318-K323 WeakPolarHBondContact O-CE 3.29Å; P318-K323 WeakPolarHBondContact O-CG 3.3Å; P318-K323 PolarHBondContact O-NZ 2.76Å; G319-K323 WeakPolarHBondContact O-CB 3.5Å; G319-K323 WeakPolarHBondContact O-CG 3.45Å; G319-K323 PolarHBondContact O-N 2.73Å; K323-A325 VanDerWaalsContact C-N 3.34Å; K323-A325 PolarHBondContact O-N 3.28Å; K323-F326 PolarHBondContact O-N 3.49Å; K323-E327 PolarHBondContact O-N 2.86Å
324	Q	91.2	Very high	94	Very high	101 Å²	101	54 Å²	54	47%	0.472	25%	0.254	S	S	.	.	H	α-helix	trans	-66.8	-32.3	174.5	-74.2	-176.8	-35.4	0	0	113	R320 L321 A322 Y328	R320-Q324 VanDerWaalsContact O-CG 3.32Å; R320-Q324 WeakPolarHBondContact O-CG 3.44Å; R320-Q324 PolarHBondContact O-N 3.39Å; L321-Q324 CarbonylContact O-C 3.47Å; L321-Q324 WeakPolarHBondContact O-CB 3.17Å; L321-Q324 PolarHBondContact O-N 3.37Å; A322-Q324 VanDerWaalsContact C-N 3.33Å; A322-Q324 PolarHBondContact O-N 2.75Å; Q324-Y328 WeakPolarHBondContact O-CB 3.47Å; Q324-Y328 PolarHBondContact O-N 2.78Å
325	A	95	Very high	94.2	Very high	11 Å²	11	60.8 Å²	60.8	9%	0.091	28%	0.283	C	S	.	.	H	α-helix	trans	-70.4	-42.9	175.5	0	0	0	0	0	112.1	A289 L292 L321 A322 K323 Y328 G329	A289-A325 HydrophobicContact CB-CB 4.17Å; L292-A325 HydrophobicContact CB-CB 3.71Å; L292-A325 HydrophobicContact CD1-CB 4.27Å; L321-A325 WeakPolarHBondContact O-CB 3.42Å; L321-A325 PolarHBondContact O-N 3.32Å; A322-A325 WeakPolarHBondContact O-CB 3.27Å; A322-A325 PolarHBondContact O-N 3.06Å; A322-A325 VanDerWaalsContact O-N 3.13Å; K323-A325 VanDerWaalsContact C-N 3.34Å; K323-A325 PolarHBondContact O-N 3.28Å; A325-Y328 PolarHBondContact O-N 2.89Å; A325-G329 PolarHBondContact O-N 2.69Å
326	F	97	Very high	94.1	Very high	1 Å²	1	61.5 Å²	61.5	0%	0.004	30%	0.297	C	S	.	.	H	α-helix	trans	-58.4	-49.5	170.2	-78.5	-63.9	0	0	0	111.7	L292 P318 A322 K323 Y328 G329 I330 F341 W343 Y360 Y365 T366	L292-F326 HydrophobicContact CD1-CD1 4.45Å; L292-F326 HydrophobicContact CD1-CD2 3.86Å; L292-F326 HydrophobicContact CD1-CE1 4.22Å; L292-F326 HydrophobicContact CD1-CE2 3.6Å; L292-F326 HydrophobicContact CD1-CG 4.28Å; L292-F326 HydrophobicContact CD1-CZ 3.8Å; L292-F326 HydrophobicContact CD2-CD1 4.12Å; L292-F326 HydrophobicContact CD2-CE1 3.56Å; L292-F326 HydrophobicContact CD2-CE2 4.37Å; L292-F326 HydrophobicContact CD2-CZ 3.71Å; L292-F326 HydrophobicContact CG-CZ 4.43Å; P318-F326 HydrophobicContact CB-CD2 4.27Å; P318-F326 HydrophobicContact CB-CE2 3.95Å; P318-F326 HydrophobicContact CG-CD2 4.34Å; P318-F326 HydrophobicContact CG-CE2 4.03Å; A322-F326 VanDerWaalsContact O-CD2 3.26Å; A322-F326 WeakPolarHBondContact O-CD2 3.42Å; A322-F326 PolarHBondContact O-N 3Å; K323-F326 PolarHBondContact O-N 3.49Å; F326-Y328 VanDerWaalsContact C-N 3.32Å; F326-Y328 PolarHBondContact O-N 2.87Å; F326-G329 PolarHBondContact O-N 2.95Å; F326-I330 VanDerWaalsContact O-CG1 3.31Å; F326-I330 WeakPolarHBondContact O-CG1 2.97Å; F326-I330 PolarHBondContact O-N 3.11Å; F326-F341 HydrophobicContact CD1-CD1 4.13Å; F326-F341 AromaticContact CD1-CD2 3.76Å; F326-F341 HydrophobicContact CD1-CD2 3.76Å; F326-F341 HydrophobicContact CD1-CE1 4.29Å; F326-F341 AromaticContact CD1-CE2 3.91Å; F326-F341 HydrophobicContact CD1-CE2 3.91Å; F326-F341 AromaticContact CD1-CG 3.88Å; F326-F341 HydrophobicContact CD1-CG 3.88Å; F326-F341 HydrophobicContact CD1-CZ 4.17Å; F326-F341 HydrophobicContact CE1-CB 4.08Å; F326-F341 AromaticContact CE1-CD1 3.89Å; F326-F341 HydrophobicContact CE1-CD1 3.89Å; F326-F341 HydrophobicContact CE1-CD2 4.15Å; F326-F341 HydrophobicContact CE1-CE1 4.38Å; F326-F341 AromaticContact CE1-CG 3.77Å; F326-F341 HydrophobicContact CE1-CG 3.77Å; F326-W343 HydrophobicContact CE1-CE3 4.41Å; F326-W343 HydrophobicContact CE1-CH2 4.31Å; F326-W343 AromaticContact CE1-CZ3 3.79Å; F326-W343 HydrophobicContact CE1-CZ3 3.79Å; F326-W343 HydrophobicContact CZ-CE3 4.36Å; F326-W343 AromaticContact CZ-CH2 3.76Å; F326-W343 HydrophobicContact CZ-CH2 3.76Å; F326-W343 HydrophobicContact CZ-CZ2 4.49Å; F326-W343 AromaticContact CZ-CZ3 3.68Å; F326-W343 HydrophobicContact CZ-CZ3 3.68Å; F326-Y360 HydrophobicContact CE2-CD1 4.04Å; F326-Y360 HydrophobicContact CZ-CD1 4.23Å; F326-Y365 HydrophobicContact CB-CD2 3.77Å; F326-Y365 HydrophobicContact CB-CG 4.32Å; F326-T366 HydrophobicContact CD1-CG2 4.38Å; F326-T366 HydrophobicContact CE1-CG2 3.59Å; F326-T366 HydrophobicContact CZ-CG2 3.9Å
327	E	95.3	Very high	94.2	Very high	75 Å²	75	58.8 Å²	58.8	35%	0.35	28%	0.282	S	S	.	.	H	α-helix	trans	-59.1	-40.6	176.6	-84	-165.9	-131.6	0	0	112.6	K323 K331 Y365	K323-E327 PolarHBondContact O-N 2.86Å; E327-K331 WeakPolarHBondContact O-CB 3.39Å; E327-K331 WeakPolarHBondContact O-CD 3.35Å; E327-K331 WeakPolarHBondContact O-CG 3.44Å; E327-K331 PolarHBondContact O-N 2.88Å; E327-K331 VanDerWaalsContact O-N 3.12Å; E327-K331 IonicContact OE2-NZ 2.62Å; E327-K331 PolarHBondContact OE2-NZ 3.26Å; E327-Y365 HydrophobicContact CG-CE2 3.89Å
328	Y	95.9	Very high	94.4	Very high	130 Å²	130	58.5 Å²	58.5	51%	0.51	28%	0.279	S	S	.	.	H	α-helix	trans	-66.9	-44.8	175.7	-173.6	-88	0	0	0	111.2	P296 Q324 A325 F326 K331 K332	P296-Y328 HydrophobicContact CG-CD1 4.22Å; P296-Y328 HydrophobicContact CG-CE1 3.9Å; Q324-Y328 WeakPolarHBondContact O-CB 3.47Å; Q324-Y328 PolarHBondContact O-N 2.78Å; A325-Y328 PolarHBondContact O-N 2.89Å; F326-Y328 VanDerWaalsContact C-N 3.32Å; F326-Y328 PolarHBondContact O-N 2.87Å; Y328-K331 PolarHBondContact O-N 2.85Å; Y328-K332 HydrophobicContact CD1-CB 4.26Å; Y328-K332 HydrophobicContact CD2-CB 4.34Å; Y328-K332 HydrophobicContact CD2-CG 4.09Å; Y328-K332 HydrophobicContact CE1-CB 3.96Å; Y328-K332 HydrophobicContact CE2-CB 4.05Å; Y328-K332 HydrophobicContact CE2-CG 3.88Å; Y328-K332 HydrophobicContact CG-CB 4.44Å; Y328-K332 WeakPolarHBondContact O-CA 3.44Å; Y328-K332 WeakPolarHBondContact O-CB 3.48Å; Y328-K332 PolarHBondContact O-N 3.16Å
329	G	97.1	Very high	94.7	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-54.1	-56	176.3	0	0	0	0	0	111.9	A325 F326 K331 G333 G338 S339	A325-G329 PolarHBondContact O-N 2.69Å; F326-G329 PolarHBondContact O-N 2.95Å; G329-K331 VanDerWaalsContact C-N 3.34Å; G329-K331 PolarHBondContact O-N 3.23Å; G329-G333 VanDerWaalsContact O-CA 3.25Å; G329-G333 WeakPolarHBondContact O-CA 3.1Å; G329-G333 PolarHBondContact O-N 2.96Å; G329-G338 CarbonylContact O-C 3.23Å; G329-G338 WeakPolarHBondContact O-CA 3.48Å; G329-S339 PolarHBondContact O-N 3.3Å
330	I	96.7	Very high	95.1	Very high	11 Å²	11	57.3 Å²	57.3	6%	0.056	27%	0.267	C	S	.	.	H	α-helix	trans	-72.4	-20.9	-177.7	66.2	105.2	0	0	0	114.3	F326 G338 F341 Y365 W442	F326-I330 VanDerWaalsContact O-CG1 3.31Å; F326-I330 WeakPolarHBondContact O-CG1 2.97Å; F326-I330 PolarHBondContact O-N 3.11Å; I330-G338 WeakPolarHBondContact O-CA 3.37Å; I330-F341 HydrophobicContact CG2-CD2 4.21Å; I330-F341 HydrophobicContact CG2-CE2 4.05Å; I330-Y365 HydrophobicContact CB-CD1 4.37Å; I330-Y365 HydrophobicContact CD1-CD1 3.69Å; I330-Y365 HydrophobicContact CD1-CE1 3.52Å; I330-Y365 HydrophobicContact CG1-CD1 3.59Å; I330-Y365 HydrophobicContact CG1-CE1 3.84Å; I330-Y365 HydrophobicContact CG1-CG 4.22Å; I330-Y365 HydrophobicContact CG2-CD1 4.14Å; I330-Y365 HydrophobicContact CG2-CG 4.31Å; I330-W442 HydrophobicContact CB-CD2 4.07Å; I330-W442 HydrophobicContact CB-CG 4.16Å; I330-W442 HydrophobicContact CB-CZ2 4.39Å; I330-W442 HydrophobicContact CD1-CZ2 3.77Å; I330-W442 HydrophobicContact CG2-CD2 4.05Å; I330-W442 HydrophobicContact CG2-CE3 4.42Å; I330-W442 HydrophobicContact CG2-CG 4.19Å; I330-W442 PolarHBondContact O-NE1 3.22Å
331	K	95.2	Very high	95.5	Very high	103 Å²	103	48.2 Å²	48.2	45%	0.448	23%	0.233	S	C	.	.	H	α-helix	trans	-98.5	-18.2	179.5	-64	171.5	-173.7	177.7	0	114.9	E327 Y328 G329	E327-K331 WeakPolarHBondContact O-CB 3.39Å; E327-K331 WeakPolarHBondContact O-CD 3.35Å; E327-K331 WeakPolarHBondContact O-CG 3.44Å; E327-K331 PolarHBondContact O-N 2.88Å; E327-K331 VanDerWaalsContact O-N 3.12Å; E327-K331 IonicContact OE2-NZ 2.62Å; E327-K331 PolarHBondContact OE2-NZ 3.26Å; Y328-K331 PolarHBondContact O-N 2.85Å; G329-K331 VanDerWaalsContact C-N 3.34Å; G329-K331 PolarHBondContact O-N 3.23Å
332	K	95.7	Very high	96.3	Very high	121 Å²	121	45 Å²	45	53%	0.526	22%	0.216	S	C	.	.	H	α-helix	trans	-139.2	-19.4	-171.8	-59	-64.8	162.9	-151.5	0	114.9	N297 Y328	N297-K332 PolarHBondContact OD1-O 3.44Å; N297-K332 VanDerWaalsContact OD1-O 3.07Å; Y328-K332 HydrophobicContact CD1-CB 4.26Å; Y328-K332 HydrophobicContact CD2-CB 4.34Å; Y328-K332 HydrophobicContact CD2-CG 4.09Å; Y328-K332 HydrophobicContact CE1-CB 3.96Å; Y328-K332 HydrophobicContact CE2-CB 4.05Å; Y328-K332 HydrophobicContact CE2-CG 3.88Å; Y328-K332 HydrophobicContact CG-CB 4.44Å; Y328-K332 WeakPolarHBondContact O-CA 3.44Å; Y328-K332 WeakPolarHBondContact O-CB 3.48Å; Y328-K332 PolarHBondContact O-N 3.16Å
333	G	97.4	Very high	96.7	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-64	162.6	172.4	0	0	0	0	0	112.5	P296 G329 Q335 G336 L337 G338	P296-G333 CarbonylContact O-C 3.58Å; P296-G333 WeakPolarHBondContact O-CA 3.42Å; G329-G333 VanDerWaalsContact O-CA 3.25Å; G329-G333 WeakPolarHBondContact O-CA 3.1Å; G329-G333 PolarHBondContact O-N 2.96Å; G333-Q335 PolarHBondContact O-N 3.25Å; G333-Q335 VanDerWaalsContact O-N 3.16Å; G333-G336 WeakPolarHBondContact O-CA 3.06Å; G333-G336 PolarHBondContact O-N 2.71Å; G333-L337 PolarHBondContact O-N 2.77Å; G333-G338 WeakPolarHBondContact O-CA 3.04Å; G333-G338 PolarHBondContact O-N 3.17Å
334	R	97.7	Very high	97	Very high	15 Å²	15	40.2 Å²	40.2	6%	0.057	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	45.5	46	-178.2	-58.1	-177.8	70.6	-112.4	-10.6	112.4	P296 D300 G336 L337 G338 S438 L440	P296-R334 PolarHBondContact O-N 2.9Å; D300-R334 WeakPolarHBondContact O-CD 3.44Å; D300-R334 IonicContact OD1-CZ 3.61Å; D300-R334 IonicContact OD1-NE 3.61Å; D300-R334 PolarHBondContact OD1-NE 3.24Å; D300-R334 IonicContact OD1-NH2 3.59Å; D300-R334 PolarHBondContact OD1-NH2 3.12Å; D300-R334 VanDerWaalsContact OD1-NH2 3.09Å; R334-G336 PolarHBondContact O-N 2.91Å; R334-G336 VanDerWaalsContact O-N 3.15Å; R334-L337 HydrophobicContact CB-CB 3.94Å; R334-L337 WeakPolarHBondContact O-CB 3.39Å; R334-L337 WeakPolarHBondContact O-CG 3.45Å; R334-L337 PolarHBondContact O-N 2.79Å; R334-G338 VanDerWaalsContact CD-O 3.25Å; R334-G338 WeakPolarHBondContact CD-O 2.94Å; R334-S438 PolarHBondContact NH2-O 3.24Å; R334-L440 PolarHBondContact NH1-O 3.2Å
335	Q	96.9	Very high	97.2	Very high	180 Å²	180	35.4 Å²	35.4	84%	0.841	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	59.4	22	-179.3	-52.4	177.4	25.8	0	0	114.5	N297 G333	N297-Q335 WeakPolarHBondContact OD1-CA 3.46Å; N297-Q335 PolarHBondContact OD1-N 2.84Å; G333-Q335 PolarHBondContact O-N 3.25Å; G333-Q335 VanDerWaalsContact O-N 3.16Å
336	G	96.6	Very high	97.1	Very high	46 Å²	46	35.1 Å²	35.1	47%	0.474	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	107.7	-7.4	-176.6	0	0	0	0	0	114.7	G333 R334 G338	G333-G336 WeakPolarHBondContact O-CA 3.06Å; G333-G336 PolarHBondContact O-N 2.71Å; R334-G336 PolarHBondContact O-N 2.91Å; R334-G336 VanDerWaalsContact O-N 3.15Å; G336-G338 PolarHBondContact O-N 3.29Å
337	L	98.3	Very high	97	Very high	40 Å²	40	37 Å²	37	21%	0.209	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-19.2	170.9	-59	175.5	0	0	0	112.5	G333 R334 S438 Q439 T441 W442	G333-L337 PolarHBondContact O-N 2.77Å; R334-L337 HydrophobicContact CB-CB 3.94Å; R334-L337 WeakPolarHBondContact O-CB 3.39Å; R334-L337 WeakPolarHBondContact O-CG 3.45Å; R334-L337 PolarHBondContact O-N 2.79Å; L337-S438 VanDerWaalsContact CD1-O 3.29Å; L337-S438 WeakPolarHBondContact CD1-O 3.44Å; L337-Q439 WeakPolarHBondContact CD2-O 3.35Å; L337-T441 HydrophobicContact CD2-CG2 4.02Å; L337-T441 CarbonylContact O-C 3.54Å; L337-T441 WeakPolarHBondContact O-CA 3.07Å; L337-T441 VanDerWaalsContact O-CB 3.32Å; L337-T441 WeakPolarHBondContact O-CB 3.33Å; L337-W442 PolarHBondContact O-N 2.89Å
338	G	98.5	Very high	97	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.165	C	C	.	.			trans	86.7	133.4	-179.6	0	0	0	0	0	113.2	G329 I330 G333 R334 G336	G329-G338 CarbonylContact O-C 3.23Å; G329-G338 WeakPolarHBondContact O-CA 3.48Å; I330-G338 WeakPolarHBondContact O-CA 3.37Å; G333-G338 WeakPolarHBondContact O-CA 3.04Å; G333-G338 PolarHBondContact O-N 3.17Å; R334-G338 VanDerWaalsContact CD-O 3.25Å; R334-G338 WeakPolarHBondContact CD-O 2.94Å; G336-G338 PolarHBondContact O-N 3.29Å
339	S	98.6	Very high	96.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.151	C	C	.	.			trans	-56.6	141	170.6	-60.5	0	0	0	0	111.1	P296 G329	P296-S339 WeakPolarHBondContact CB-OG 3.48Å; G329-S339 PolarHBondContact O-N 3.3Å
340	I	98.9	Very high	96.3	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.015	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	115.6	177.3	-63.9	151.3	0	0	0	108.5	D300 I301 Y302 V342 I367 I430 L434 W442 V445	D300-I340 PolarHBondContact O-N 3Å; D300-I340 VanDerWaalsContact O-N 3.09Å; I301-I340 CarbonylContact C-O 3.38Å; I301-I340 WeakPolarHBondContact CA-O 3.32Å; I301-I340 HydrophobicContact CG1-CB 4.33Å; I301-I340 HydrophobicContact CG1-CD1 4.37Å; I301-I340 HydrophobicContact CG2-CG2 4.42Å; Y302-I340 PolarHBondContact N-O 3.09Å; I340-V342 HydrophobicContact CG2-CG2 4.13Å; I340-I367 HydrophobicContact CG2-CD1 3.78Å; I340-I430 HydrophobicContact CD1-CG2 4.21Å; I340-I430 HydrophobicContact CG2-CD1 4.23Å; I340-I430 HydrophobicContact CG2-CG2 4.43Å; I340-L434 HydrophobicContact CD1-CD1 3.82Å; I340-L434 HydrophobicContact CD1-CD2 4.18Å; I340-L434 HydrophobicContact CD1-CG 4.42Å; I340-W442 HydrophobicContact CG1-CB 4.32Å; I340-V445 HydrophobicContact CD1-CG2 3.81Å; I340-V445 HydrophobicContact CG1-CG2 4.38Å
341	F	98.9	Very high	96.1	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.1	176.2	-57.2	-83.1	0	0	0	109.4	L292 Y302 F326 I330 W343 T366 I367	L292-F341 HydrophobicContact CB-CE1 4.4Å; L292-F341 HydrophobicContact CD2-CD1 3.75Å; L292-F341 HydrophobicContact CD2-CE1 3.6Å; Y302-F341 HydrophobicContact CD1-CE1 4.27Å; Y302-F341 HydrophobicContact CD2-CD1 4.1Å; Y302-F341 AromaticContact CD2-CE1 3.85Å; Y302-F341 HydrophobicContact CD2-CE1 3.85Å; Y302-F341 HydrophobicContact CD2-CZ 4.47Å; Y302-F341 HydrophobicContact CE2-CE1 4.35Å; Y302-F341 AromaticContact CG-CD1 3.92Å; Y302-F341 HydrophobicContact CG-CD1 3.92Å; Y302-F341 AromaticContact CG-CE1 3.82Å; Y302-F341 HydrophobicContact CG-CE1 3.82Å; Y302-F341 CarbonylContact O-C 3.54Å; Y302-F341 WeakPolarHBondContact O-CA 3.47Å; F326-F341 HydrophobicContact CD1-CD1 4.13Å; F326-F341 AromaticContact CD1-CD2 3.76Å; F326-F341 HydrophobicContact CD1-CD2 3.76Å; F326-F341 HydrophobicContact CD1-CE1 4.29Å; F326-F341 AromaticContact CD1-CE2 3.91Å; F326-F341 HydrophobicContact CD1-CE2 3.91Å; F326-F341 AromaticContact CD1-CG 3.88Å; F326-F341 HydrophobicContact CD1-CG 3.88Å; F326-F341 HydrophobicContact CD1-CZ 4.17Å; F326-F341 HydrophobicContact CE1-CB 4.08Å; F326-F341 AromaticContact CE1-CD1 3.89Å; F326-F341 HydrophobicContact CE1-CD1 3.89Å; F326-F341 HydrophobicContact CE1-CD2 4.15Å; F326-F341 HydrophobicContact CE1-CE1 4.38Å; F326-F341 AromaticContact CE1-CG 3.77Å; F326-F341 HydrophobicContact CE1-CG 3.77Å; I330-F341 HydrophobicContact CG2-CD2 4.21Å; I330-F341 HydrophobicContact CG2-CE2 4.05Å; F341-W343 HydrophobicContact CB-CE3 4.35Å; F341-W343 HydrophobicContact CB-CZ3 4.41Å; F341-T366 HydrophobicContact CB-CG2 4.05Å; F341-T366 CarbonylContact O-C 3.58Å; F341-T366 WeakPolarHBondContact O-CA 3.41Å; F341-I367 PolarHBondContact O-N 3.38Å
342	V	98.9	Very high	96	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130.3	178.3	-168.7	0	0	0	0	108.4	I301 Y302 A304 I340 I367 V369 A423 V426 A427 I430	I301-V342 HydrophobicContact CG2-CG2 3.86Å; Y302-V342 PolarHBondContact O-N 3.13Å; A304-V342 PolarHBondContact N-O 2.77Å; I340-V342 HydrophobicContact CG2-CG2 4.13Å; V342-I367 HydrophobicContact CG1-CB 4.49Å; V342-V369 HydrophobicContact CG1-CG2 3.69Å; V342-A423 HydrophobicContact CG1-CB 3.98Å; V342-A423 WeakPolarHBondContact CG1-O 3.43Å; V342-V426 HydrophobicContact CG1-CB 3.97Å; V342-V426 HydrophobicContact CG1-CG1 3.88Å; V342-A427 HydrophobicContact CG2-CB 4.27Å; V342-I430 HydrophobicContact CG2-CD1 3.81Å
343	W	98.6	Very high	96	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.4	-167.4	-130.2	-86.9	0	0	0	111.7	L292 A304 W306 F326 F341 Y360 T366 I367 V369	L292-W343 HydrophobicContact CD2-CH2 3.97Å; L292-W343 HydrophobicContact CD2-CZ3 4.03Å; A304-W343 HydrophobicContact CB-CD2 3.74Å; A304-W343 HydrophobicContact CB-CE3 3.66Å; A304-W343 HydrophobicContact CB-CH2 3.46Å; A304-W343 VanDerWaalsContact CB-CH2 3.46Å; A304-W343 HydrophobicContact CB-CZ2 3.54Å; A304-W343 HydrophobicContact CB-CZ3 3.52Å; A304-W343 WeakPolarHBondContact O-CA 3.18Å; W306-W343 HydrophobicContact CD2-CZ2 4.04Å; W306-W343 AromaticContact CE2-CZ2 3.87Å; W306-W343 AromaticContact CE3-CZ2 3.99Å; W306-W343 HydrophobicContact CE3-CZ2 3.99Å; W306-W343 AromaticContact CH2-CH2 3.78Å; W306-W343 HydrophobicContact CH2-CH2 3.78Å; W306-W343 AromaticContact CH2-CZ2 3.68Å; W306-W343 HydrophobicContact CH2-CZ2 3.68Å; W306-W343 AromaticContact CZ2-CH2 3.67Å; W306-W343 HydrophobicContact CZ2-CH2 3.67Å; W306-W343 AromaticContact CZ2-CZ2 3.71Å; W306-W343 HydrophobicContact CZ2-CZ2 3.71Å; W306-W343 HydrophobicContact CZ3-CH2 4.38Å; W306-W343 AromaticContact CZ3-CZ2 3.82Å; W306-W343 HydrophobicContact CZ3-CZ2 3.82Å; W306-W343 PolarHBondContact O-NE1 3.03Å; F326-W343 HydrophobicContact CE1-CE3 4.41Å; F326-W343 HydrophobicContact CE1-CH2 4.31Å; F326-W343 AromaticContact CE1-CZ3 3.79Å; F326-W343 HydrophobicContact CE1-CZ3 3.79Å; F326-W343 HydrophobicContact CZ-CE3 4.36Å; F326-W343 AromaticContact CZ-CH2 3.76Å; F326-W343 HydrophobicContact CZ-CH2 3.76Å; F326-W343 HydrophobicContact CZ-CZ2 4.49Å; F326-W343 AromaticContact CZ-CZ3 3.68Å; F326-W343 HydrophobicContact CZ-CZ3 3.68Å; F341-W343 HydrophobicContact CB-CE3 4.35Å; F341-W343 HydrophobicContact CB-CZ3 4.41Å; W343-Y360 HydrophobicContact CH2-CD1 4.44Å; W343-Y360 AromaticContact CZ2-CD1 3.86Å; W343-Y360 HydrophobicContact CZ2-CD1 3.86Å; W343-Y360 HydrophobicContact CZ2-CG 4.16Å; W343-T366 HydrophobicContact CD2-CG2 4.11Å; W343-T366 HydrophobicContact CE3-CG2 3.64Å; W343-T366 HydrophobicContact CZ3-CG2 4.27Å; W343-I367 PolarHBondContact N-O 3.05Å; W343-V369 PolarHBondContact O-N 3.17Å
344	A	97.9	Very high	96	Very high	5 Å²	5	31.5 Å²	31.5	4%	0.041	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	140.6	172.3	0	0	0	0	0	110.5	A304 G346 T361 T419 A423	A304-A344 PolarHBondContact O-N 2.61Å; A344-G346 PolarHBondContact O-N 2.75Å; A344-G346 VanDerWaalsContact O-N 3.1Å; A344-T361 WeakPolarHBondContact O-CG2 3.15Å; A344-T419 WeakPolarHBondContact CB-O 3.06Å; A344-A423 HydrophobicContact CB-CB 4.23Å
345	S	95.5	Very high	95.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.			trans	-80.7	26.4	-174.2	82.4	0	0	0	0	115.7	C355 V369 S370 E383	S345-C355 WeakPolarHBondContact O-CB 3.11Å; S345-V369 WeakPolarHBondContact CB-O 3.41Å; S345-V369 PolarHBondContact N-O 3.42Å; S345-S370 VanDerWaalsContact OG-CB 3.32Å; S345-S370 WeakPolarHBondContact OG-CB 3.34Å; S345-S370 PolarHBondContact OG-OG 2.97Å; S345-E383 WeakPolarHBondContact O-CB 3.25Å
346	G	93.8	Very high	96	Very high	6 Å²	6	22.2 Å²	22.2	6%	0.062	13%	0.127	C	C	.	.			trans	76.8	165.9	-176.3	0	0	0	0	0	115.3	A344 E383 T419	A344-G346 PolarHBondContact O-N 2.75Å; A344-G346 VanDerWaalsContact O-N 3.1Å; G346-E383 WeakPolarHBondContact CA-OE1 3.46Å; G346-T419 WeakPolarHBondContact O-CB 3.44Å; G346-T419 WeakPolarHBondContact O-CG2 3.45Å; G346-T419 PolarHBondContact O-OG1 3.22Å
347	N	94.7	Very high	96	Very high	41 Å²	41	20.2 Å²	20.2	22%	0.219	11%	0.106	C	C	.	.	S	Bend	trans	-125.4	6.7	-176.8	-54.4	-92.9	0	0	0	114.3	D310 G349 Y381 E383 G418 T419	D310-N347 VanDerWaalsContact CG-N 3.3Å; D310-N347 WeakPolarHBondContact OD2-CA 3.41Å; D310-N347 WeakPolarHBondContact OD2-CB 3.22Å; D310-N347 PolarHBondContact OD2-N 3.12Å; D310-N347 PolarHBondContact OD2-ND2 3.06Å; N347-G349 PolarHBondContact O-N 2.87Å; N347-Y381 CarbonylContact C-O 3.57Å; N347-Y381 WeakPolarHBondContact CA-O 3.49Å; N347-Y381 WeakPolarHBondContact O-CA 3.32Å; N347-Y381 WeakPolarHBondContact O-CB 3.35Å; N347-E383 PolarHBondContact N-OE1 3.11Å; N347-E383 VanDerWaalsContact N-OE1 3.11Å; N347-G418 VanDerWaalsContact OD1-CA 3.23Å; N347-G418 WeakPolarHBondContact OD1-CA 3.36Å; N347-T419 PolarHBondContact ND2-OG1 2.75Å; N347-T419 PolarHBondContact OD1-N 3.24Å; N347-T419 PolarHBondContact OD1-OG1 2.82Å
348	G	95.1	Very high	96	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	15	-176.6	0	0	0	0	0	115.7	D310 R350 E351 G352 D353 E383	D310-G348 VanDerWaalsContact O-CA 3.24Å; D310-G348 WeakPolarHBondContact O-CA 3.44Å; G348-R350 PolarHBondContact O-N 2.81Å; G348-R350 VanDerWaalsContact O-N 3.1Å; G348-E351 PolarHBondContact O-N 2.91Å; G348-E351 VanDerWaalsContact O-N 3.1Å; G348-G352 PolarHBondContact O-N 2.64Å; G348-D353 PolarHBondContact O-N 3.42Å; G348-E383 WeakPolarHBondContact CA-OE1 3.36Å; G348-E383 PolarHBondContact N-OE1 2.86Å
349	G	91.1	Very high	96	Very high	20 Å²	20	19.4 Å²	19.4	21%	0.206	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-16.1	-174.3	0	0	0	0	0	115.8	N347 W380 Y381 L382	N347-G349 PolarHBondContact O-N 2.87Å; G349-W380 CarbonylContact C-O 3.59Å; G349-Y381 WeakPolarHBondContact CA-O 3.4Å; G349-Y381 PolarHBondContact N-O 3.5Å; G349-L382 WeakPolarHBondContact CA-O 3.46Å
350	R	88	Confident	95.9	Very high	188 Å²	188	20.1 Å²	20.1	71%	0.709	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-34.7	173.9	165.2	-171.3	-178.7	-161.4	-4.2	112	G348 G352 W380	G348-R350 PolarHBondContact O-N 2.81Å; G348-R350 VanDerWaalsContact O-N 3.1Å; R350-G352 PolarHBondContact O-N 3.12Å; R350-W380 HydrophobicContact CB-CE3 4.01Å; R350-W380 HydrophobicContact CB-CZ3 4.34Å; R350-W380 PolarHBondContact N-O 2.82Å
351	E	92.1	Very high	95.8	Very high	67 Å²	67	20 Å²	20	31%	0.313	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-17.1	177.8	-72	53.7	-127.3	0	0	110.7	G348 L576	G348-E351 PolarHBondContact O-N 2.91Å; G348-E351 VanDerWaalsContact O-N 3.1Å; E351-L576 HydrophobicContact CB-CD1 4.05Å; E351-L576 VanDerWaalsContact O-CD1 3.28Å; E351-L576 WeakPolarHBondContact O-CD1 3.3Å; E351-L576 WeakPolarHBondContact O-CG 3.48Å
352	G	92.4	Very high	95.7	Very high	32 Å²	32	20.4 Å²	20.4	33%	0.33	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	91	32.5	175.1	0	0	0	0	0	112.4	G348 R350 R574	G348-G352 PolarHBondContact O-N 2.64Å; R350-G352 PolarHBondContact O-N 3.12Å; G352-R574 WeakPolarHBondContact O-CG 3.16Å
353	D	96.2	Very high	95.7	Very high	15 Å²	15	21.2 Å²	21.2	8%	0.08	12%	0.115	C	C	.	.			trans	-80.5	172.5	177.5	-140.1	-32	0	0	0	113.3	G312 G348 E383 R574	G312-D353 WeakPolarHBondContact CA-OD2 3.4Å; G312-D353 PolarHBondContact N-OD2 3.12Å; G348-D353 PolarHBondContact O-N 3.42Å; D353-E383 HydrophobicContact CB-CG 4.11Å; D353-R574 VanDerWaalsContact CG-NH1 3.34Å; D353-R574 WeakPolarHBondContact OD1-CD 3.36Å; D353-R574 IonicContact OD1-CZ 2.62Å; D353-R574 IonicContact OD1-NE 3.3Å; D353-R574 IonicContact OD1-NH1 2.98Å; D353-R574 PolarHBondContact OD1-NH1 3Å; D353-R574 IonicContact OD2-NH1 3.33Å; D353-R574 PolarHBondContact OD2-NH1 2.7Å
354	Y	96.7	Very high	95.7	Very high	3 Å²	3	21.8 Å²	21.8	1%	0.012	12%	0.118	C	C	.	.			trans	-150.4	109	-171.6	-154	-100.3	0	0	0	109.2	S356 C357 E383 E384 C385 Q569 A572	Y354-S356 WeakPolarHBondContact CD1-OG 3.49Å; Y354-S356 WeakPolarHBondContact CE1-OG 3.17Å; Y354-S356 PolarHBondContact O-N 3.06Å; Y354-C357 WeakPolarHBondContact O-CB 3.32Å; Y354-C357 PolarHBondContact O-N 2.86Å; Y354-E383 PolarHBondContact N-OE2 2.86Å; Y354-E384 WeakPolarHBondContact CA-O 3.28Å; Y354-E384 HydrophobicContact CD2-CB 4.02Å; Y354-E384 WeakPolarHBondContact CD2-O 3.07Å; Y354-E384 HydrophobicContact CE2-CB 3.58Å; Y354-E384 WeakPolarHBondContact CE2-O 3.29Å; Y354-C385 HydrophobicContact CD1-CB 4.48Å; Y354-C385 HydrophobicContact CE1-CB 4.27Å; Y354-Q569 WeakPolarHBondContact OH-CB 3.45Å; Y354-Q569 WeakPolarHBondContact OH-CG 3.49Å; Y354-Q569 PolarHBondContact OH-O 2.91Å; Y354-Q569 VanDerWaalsContact OH-O 3.13Å; Y354-A572 HydrophobicContact CD1-CB 4.48Å; Y354-A572 HydrophobicContact CD2-CB 3.23Å; Y354-A572 HydrophobicContact CE2-CB 3.35Å; Y354-A572 HydrophobicContact CG-CB 3.85Å
355	C	97	Very high	95.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-64.3	-5.9	-164.8	39.9	0	0	0	0	115.6	S345 C357 D358 T361 E383 E384 C385	S345-C355 WeakPolarHBondContact O-CB 3.11Å; C355-C357 PolarHBondContact O-N 3.28Å; C355-D358 PolarHBondContact O-N 3.02Å; C355-D358 VanDerWaalsContact O-N 3.11Å; C355-T361 PolarHBondContact O-OG1 3.27Å; C355-E383 WeakPolarHBondContact CA-OE2 3.29Å; C355-E383 HydrophobicContact CB-CB 4Å; C355-E383 PolarHBondContact N-OE2 2.75Å; C355-E384 PolarHBondContact N-O 2.85Å; C355-E384 VanDerWaalsContact SG-C 3.5Å; C355-C385 HydrophobicContact CB-CB 3.93Å; C355-C385 WeakPolarHBondContact CB-SG 3.38Å; C355-C385 WeakPolarHBondContact SG-CB 3.23Å; C355-C385 CovalentContact SG-SG 2.03Å; C355-C385 PolarHBondContact SG-SG 3.39Å
356	S	97.3	Very high	95.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-65.4	-9.8	163.3	-40.5	0	0	0	0	114.5	Y354 C385 L570 W586	Y354-S356 WeakPolarHBondContact CD1-OG 3.49Å; Y354-S356 WeakPolarHBondContact CE1-OG 3.17Å; Y354-S356 PolarHBondContact O-N 3.06Å; S356-C385 WeakPolarHBondContact OG-CB 3.45Å; S356-L570 WeakPolarHBondContact CB-O 3.27Å; S356-L570 PolarHBondContact OG-O 3.06Å; S356-W586 PolarHBondContact O-NE1 2.89Å
357	C	98.2	Very high	96.1	Very high	4 Å²	4	23.5 Å²	23.5	3%	0.027	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-88.5	-13.4	172.4	-67	0	0	0	0	113.1	V315 D316 Y354 C355 W586	V315-C357 HydrophobicContact CG2-CB 4.19Å; D316-C357 PolarHBondContact N-O 3.19Å; Y354-C357 WeakPolarHBondContact O-CB 3.32Å; Y354-C357 PolarHBondContact O-N 2.86Å; C355-C357 PolarHBondContact O-N 3.28Å; C357-W586 WeakPolarHBondContact O-CH2 3.04Å; C357-W586 WeakPolarHBondContact O-CZ2 3.25Å
358	D	98.1	Very high	96.3	Very high	11 Å²	11	21.6 Å²	21.6	6%	0.059	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-93.3	111.2	169.8	174.3	-37.9	0	0	0	108.7	P308 C355 Y360 T361 N362	P308-D358 WeakPolarHBondContact CD-OD2 3.35Å; P308-D358 HydrophobicContact CG-CB 4.32Å; C355-D358 PolarHBondContact O-N 3.02Å; C355-D358 VanDerWaalsContact O-N 3.11Å; D358-Y360 VanDerWaalsContact C-N 3.25Å; D358-Y360 PolarHBondContact O-N 3.3Å; D358-Y360 VanDerWaalsContact OD1-CA 3.24Å; D358-Y360 WeakPolarHBondContact OD1-CA 3.26Å; D358-Y360 WeakPolarHBondContact OD1-CB 3.28Å; D358-Y360 WeakPolarHBondContact OD1-CD2 3.41Å; D358-Y360 PolarHBondContact OD1-N 2.91Å; D358-T361 HydrophobicContact CB-CG2 4.27Å; D358-T361 PolarHBondContact O-N 3.43Å; D358-T361 PolarHBondContact OD1-N 2.89Å; D358-N362 WeakPolarHBondContact O-CB 3.15Å; D358-N362 PolarHBondContact O-N 3.21Å
359	G	97.5	Very high	96.4	Very high	12 Å²	12	21.6 Å²	21.6	12%	0.124	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-7.4	-178.9	0	0	0	0	0	115.8	D316 P318	D316-G359 PolarHBondContact O-N 3.16Å; P318-G359 VanDerWaalsContact CD-O 3.31Å; P318-G359 WeakPolarHBondContact CD-O 3.26Å
360	Y	97.9	Very high	96.8	Very high	14 Å²	14	20.7 Å²	20.7	6%	0.055	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-48.6	171	-53	-92.9	0	0	0	110.6	E288 W306 P318 F326 W343 D358 N362 S363 T366	E288-Y360 VanDerWaalsContact CD-OH 3.23Å; E288-Y360 PolarHBondContact OE1-OH 2.86Å; E288-Y360 PolarHBondContact OE2-OH 2.71Å; W306-Y360 HydrophobicContact CH2-CE1 4.2Å; W306-Y360 HydrophobicContact CZ3-CD1 4.02Å; W306-Y360 AromaticContact CZ3-CE1 3.61Å; W306-Y360 HydrophobicContact CZ3-CE1 3.61Å; W306-Y360 AromaticContact CZ3-CZ 3.95Å; P318-Y360 HydrophobicContact CB-CD1 3.9Å; P318-Y360 HydrophobicContact CB-CE1 3.5Å; P318-Y360 HydrophobicContact CG-CD1 3.97Å; P318-Y360 HydrophobicContact CG-CE1 4.04Å; P318-Y360 HydrophobicContact CG-CG 4.44Å; F326-Y360 HydrophobicContact CE2-CD1 4.04Å; F326-Y360 HydrophobicContact CZ-CD1 4.23Å; W343-Y360 HydrophobicContact CH2-CD1 4.44Å; W343-Y360 AromaticContact CZ2-CD1 3.86Å; W343-Y360 HydrophobicContact CZ2-CD1 3.86Å; W343-Y360 HydrophobicContact CZ2-CG 4.16Å; D358-Y360 VanDerWaalsContact C-N 3.25Å; D358-Y360 PolarHBondContact O-N 3.3Å; D358-Y360 VanDerWaalsContact OD1-CA 3.24Å; D358-Y360 WeakPolarHBondContact OD1-CA 3.26Å; D358-Y360 WeakPolarHBondContact OD1-CB 3.28Å; D358-Y360 WeakPolarHBondContact OD1-CD2 3.41Å; D358-Y360 PolarHBondContact OD1-N 2.91Å; Y360-N362 VanDerWaalsContact C-N 3.35Å; Y360-S363 VanDerWaalsContact O-CB 3.32Å; Y360-S363 WeakPolarHBondContact O-CB 3.39Å; Y360-S363 PolarHBondContact O-N 2.81Å; Y360-T366 WeakPolarHBondContact O-CB 3.31Å; Y360-T366 WeakPolarHBondContact O-CG2 3.29Å; Y360-T366 PolarHBondContact O-OG1 3.12Å
361	T	96.6	Very high	97.2	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-29.9	178	80.5	0	0	0	0	112.6	A344 C355 D358 S363 S368	A344-T361 WeakPolarHBondContact O-CG2 3.15Å; C355-T361 PolarHBondContact O-OG1 3.27Å; D358-T361 HydrophobicContact CB-CG2 4.27Å; D358-T361 PolarHBondContact O-N 3.43Å; D358-T361 PolarHBondContact OD1-N 2.89Å; T361-S363 VanDerWaalsContact C-N 3.32Å; T361-S368 WeakPolarHBondContact O-CB 3.46Å
362	N	96.9	Very high	97.3	Very high	10 Å²	10	8.5 Å²	8.5	5%	0.053	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-1	178.4	175.8	92.1	0	0	0	112.9	D358 Y360 E587 M589	D358-N362 WeakPolarHBondContact O-CB 3.15Å; D358-N362 PolarHBondContact O-N 3.21Å; Y360-N362 VanDerWaalsContact C-N 3.35Å; N362-E587 PolarHBondContact ND2-O 3.35Å; N362-M589 WeakPolarHBondContact O-CB 3.43Å; N362-M589 WeakPolarHBondContact OD1-CB 3.39Å; N362-M589 PolarHBondContact OD1-N 3.2Å
363	S	98.1	Very high	97.3	Very high	18 Å²	18	7.1 Å²	7.1	13%	0.126	4%	0.039	C	C	.	.			trans	-67.6	143.7	171.8	-177.7	0	0	0	0	111.7	Y360 T361 Y365 T366 M589	Y360-S363 VanDerWaalsContact O-CB 3.32Å; Y360-S363 WeakPolarHBondContact O-CB 3.39Å; Y360-S363 PolarHBondContact O-N 2.81Å; T361-S363 VanDerWaalsContact C-N 3.32Å; S363-Y365 PolarHBondContact O-N 3.27Å; S363-Y365 WeakPolarHBondContact OG-CD2 3.07Å; S363-Y365 PolarHBondContact OG-N 3.26Å; S363-T366 PolarHBondContact O-OG1 2.7Å; S363-M589 WeakPolarHBondContact O-CE 3.34Å
364	I	98.4	Very high	96.9	Very high	11 Å²	11	8.7 Å²	8.7	6%	0.056	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-21.8	171.8	69.2	176.6	0	0	0	112.3	T366 W442 Q446 H541 V543 M589 Y630	I364-T366 VanDerWaalsContact C-N 3.33Å; I364-W442 WeakPolarHBondContact O-CZ3 3.28Å; I364-Q446 PolarHBondContact O-NE2 3.37Å; I364-Q446 VanDerWaalsContact O-NE2 3.16Å; I364-H541 HydrophobicContact CB-CB 4.23Å; I364-H541 HydrophobicContact CG2-CB 3.53Å; I364-H541 PolarHBondContact O-NE2 3.28Å; I364-V543 HydrophobicContact CG2-CG2 4.02Å; I364-M589 HydrophobicContact CG2-CG 3.9Å; I364-Y630 HydrophobicContact CD1-CD1 3.74Å; I364-Y630 HydrophobicContact CD1-CD2 4.29Å; I364-Y630 HydrophobicContact CD1-CE1 3.43Å; I364-Y630 VanDerWaalsContact CD1-CE1 3.43Å; I364-Y630 HydrophobicContact CD1-CE2 4.03Å; I364-Y630 HydrophobicContact CD1-CG 4.16Å; I364-Y630 HydrophobicContact CG2-CE2 4.47Å
365	Y	98.4	Very high	96.4	Very high	38 Å²	38	12 Å²	12	15%	0.149	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-12.2	-175	-52.5	-48.4	0	0	0	113.2	F326 E327 I330 S363 W442	F326-Y365 HydrophobicContact CB-CD2 3.77Å; F326-Y365 HydrophobicContact CB-CG 4.32Å; E327-Y365 HydrophobicContact CG-CE2 3.89Å; I330-Y365 HydrophobicContact CB-CD1 4.37Å; I330-Y365 HydrophobicContact CD1-CD1 3.69Å; I330-Y365 HydrophobicContact CD1-CE1 3.52Å; I330-Y365 HydrophobicContact CG1-CD1 3.59Å; I330-Y365 HydrophobicContact CG1-CE1 3.84Å; I330-Y365 HydrophobicContact CG1-CG 4.22Å; I330-Y365 HydrophobicContact CG2-CD1 4.14Å; I330-Y365 HydrophobicContact CG2-CG 4.31Å; S363-Y365 PolarHBondContact O-N 3.27Å; S363-Y365 WeakPolarHBondContact OG-CD2 3.07Å; S363-Y365 PolarHBondContact OG-N 3.26Å; Y365-W442 HydrophobicContact CD1-CH2 4.17Å
366	T	98.6	Very high	96.1	Very high	6 Å²	6	12 Å²	12	4%	0.037	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	154	179.2	54.3	0	0	0	0	111	F326 F341 W343 Y360 S363 I364 Q446	F326-T366 HydrophobicContact CD1-CG2 4.38Å; F326-T366 HydrophobicContact CE1-CG2 3.59Å; F326-T366 HydrophobicContact CZ-CG2 3.9Å; F341-T366 HydrophobicContact CB-CG2 4.05Å; F341-T366 CarbonylContact O-C 3.58Å; F341-T366 WeakPolarHBondContact O-CA 3.41Å; W343-T366 HydrophobicContact CD2-CG2 4.11Å; W343-T366 HydrophobicContact CE3-CG2 3.64Å; W343-T366 HydrophobicContact CZ3-CG2 4.27Å; Y360-T366 WeakPolarHBondContact O-CB 3.31Å; Y360-T366 WeakPolarHBondContact O-CG2 3.29Å; Y360-T366 PolarHBondContact O-OG1 3.12Å; S363-T366 PolarHBondContact O-OG1 2.7Å; I364-T366 VanDerWaalsContact C-N 3.33Å; T366-Q446 PolarHBondContact O-NE2 2.77Å
367	I	98.8	Very high	95.8	Very high	3 Å²	3	17.9 Å²	17.9	2%	0.015	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	94.7	168.9	-58.7	-179.8	0	0	0	106	I340 F341 V342 W343 V369 L389 V426 I430 V445 Q446 L449	I340-I367 HydrophobicContact CG2-CD1 3.78Å; F341-I367 PolarHBondContact O-N 3.38Å; V342-I367 HydrophobicContact CG1-CB 4.49Å; W343-I367 PolarHBondContact N-O 3.05Å; I367-V369 HydrophobicContact CG2-CG2 4.08Å; I367-L389 HydrophobicContact CG2-CD2 4.01Å; I367-V426 HydrophobicContact CG2-CG1 4.46Å; I367-I430 HydrophobicContact CD1-CD1 3.81Å; I367-V445 HydrophobicContact CD1-CG1 3.85Å; I367-Q446 HydrophobicContact CD1-CG 4.16Å; I367-Q446 HydrophobicContact CG1-CG 3.89Å; I367-L449 HydrophobicContact CD1-CD1 4.03Å; I367-L449 HydrophobicContact CG2-CD1 3.76Å
368	S	98.5	Very high	95.5	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.014	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	125.2	173.9	177.6	0	0	0	0	110.5	T361 L389	T361-S368 WeakPolarHBondContact O-CB 3.46Å; S368-L389 PolarHBondContact O-N 2.93Å
369	V	98.5	Very high	95.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	130.3	-176	-170.4	0	0	0	0	110.4	V342 W343 S345 I367 A390 T392 V426	V342-V369 HydrophobicContact CG1-CG2 3.69Å; W343-V369 PolarHBondContact O-N 3.17Å; S345-V369 WeakPolarHBondContact CB-O 3.41Å; S345-V369 PolarHBondContact N-O 3.42Å; I367-V369 HydrophobicContact CG2-CG2 4.08Å; V369-A390 WeakPolarHBondContact CA-O 3.33Å; V369-T392 HydrophobicContact CG1-CG2 4.47Å; V369-V426 HydrophobicContact CB-CG2 4.3Å; V369-V426 HydrophobicContact CG1-CB 4.37Å; V369-V426 HydrophobicContact CG1-CG2 3.5Å; V369-V426 HydrophobicContact CG2-CB 3.89Å; V369-V426 HydrophobicContact CG2-CG1 4Å; V369-V426 HydrophobicContact CG2-CG2 3.79Å
370	S	97.8	Very high	94.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-176.1	175.6	-147.2	0	0	0	0	113.2	S345 L382 A390 T391 T392 S422	S345-S370 VanDerWaalsContact OG-CB 3.32Å; S345-S370 WeakPolarHBondContact OG-CB 3.34Å; S345-S370 PolarHBondContact OG-OG 2.97Å; S370-L382 WeakPolarHBondContact OG-CD1 3.28Å; S370-L382 VanDerWaalsContact OG-CG 3.26Å; S370-L382 WeakPolarHBondContact OG-CG 3.44Å; S370-A390 PolarHBondContact N-O 3.11Å; S370-T391 VanDerWaalsContact O-CA 3.29Å; S370-T391 WeakPolarHBondContact O-CA 3.48Å; S370-T392 PolarHBondContact O-N 3.05Å; S370-T392 VanDerWaalsContact O-N 3.15Å; S370-S422 WeakPolarHBondContact O-CB 3.01Å; S370-S422 PolarHBondContact O-OG 2.93Å
371	S	96.9	Very high	94.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	147.2	-167.8	-65.1	0	0	0	0	114.7	P379 L382 T392 S394 T419 S422	S371-P379 WeakPolarHBondContact O-CD 3.48Å; S371-L382 WeakPolarHBondContact O-CD1 3.31Å; S371-T392 CarbonylContact C-O 3.56Å; S371-T392 WeakPolarHBondContact CA-O 3.44Å; S371-S394 WeakPolarHBondContact OG-CB 3.1Å; S371-T419 WeakPolarHBondContact OG-CA 3.4Å; S371-S422 PolarHBondContact OG-OG 3.23Å
372	A	95.3	Very high	94.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	144.5	166.8	0	0	0	0	0	110.9	T391 T392 Y393 S394 L458 Y476	A372-T391 HydrophobicContact CB-CG2 3.77Å; A372-T392 PolarHBondContact N-O 3.3Å; A372-Y393 CarbonylContact O-C 3.6Å; A372-Y393 WeakPolarHBondContact O-CA 3.43Å; A372-S394 PolarHBondContact O-N 3.37Å; A372-L458 HydrophobicContact CB-CD2 3.39Å; A372-Y476 HydrophobicContact CB-CE1 4.32Å
373	T	92	Very high	94.2	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.018	12%	0.115	C	C	.	.			trans	-70.9	167.5	169.4	81.4	0	0	0	0	111.4	N375 G376 Y377 P379 G396 E400	T373-N375 PolarHBondContact O-N 2.81Å; T373-N375 VanDerWaalsContact O-N 3.08Å; T373-N375 PolarHBondContact OG1-N 2.85Å; T373-G376 PolarHBondContact O-N 3.2Å; T373-Y377 WeakPolarHBondContact CG2-O 3.36Å; T373-Y377 PolarHBondContact N-O 2.96Å; T373-Y377 PolarHBondContact OG1-N 2.89Å; T373-P379 HydrophobicContact CG2-CB 4.23Å; T373-P379 HydrophobicContact CG2-CG 3.91Å; T373-G396 VanDerWaalsContact CG2-CA 3.43Å; T373-E400 VanDerWaalsContact CB-OE1 3.24Å; T373-E400 WeakPolarHBondContact CB-OE1 3.07Å; T373-E400 WeakPolarHBondContact CB-OE2 3.47Å; T373-E400 WeakPolarHBondContact CG2-OE2 3.46Å; T373-E400 PolarHBondContact OG1-OE1 3.46Å; T373-E400 PolarHBondContact OG1-OE2 3.07Å
374	E	87.1	Confident	94.1	Very high	47 Å²	47	27.8 Å²	27.8	22%	0.22	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-34.6	172.6	179.3	179	-178.1	0	0	114.1	W169 E400 R401	W169-E374 HydrophobicContact CD2-CG 4.48Å; W169-E374 HydrophobicContact CE3-CB 4.27Å; W169-E374 HydrophobicContact CE3-CG 4.01Å; W169-E374 VanDerWaalsContact CH2-CA 3.44Å; W169-E374 HydrophobicContact CH2-CB 3.65Å; W169-E374 HydrophobicContact CH2-CG 4.3Å; W169-E374 HydrophobicContact CZ2-CB 4.13Å; W169-E374 VanDerWaalsContact CZ3-CA 3.49Å; W169-E374 HydrophobicContact CZ3-CB 3.76Å; W169-E374 HydrophobicContact CZ3-CG 3.93Å; E374-E400 HydrophobicContact CB-CB 4.42Å; E374-R401 VanDerWaalsContact CD-NE 3.34Å; E374-R401 IonicContact OE1-CZ 3.62Å; E374-R401 IonicContact OE1-NE 3.42Å; E374-R401 PolarHBondContact OE1-NE 2.81Å; E374-R401 IonicContact OE1-NH2 3.86Å; E374-R401 PolarHBondContact OE1-NH2 3.22Å; E374-R401 WeakPolarHBondContact OE2-CB 3.41Å; E374-R401 WeakPolarHBondContact OE2-CG 3.35Å; E374-R401 PolarHBondContact OE2-N 3.4Å; E374-R401 IonicContact OE2-NE 3.89Å; E374-R401 PolarHBondContact OE2-NE 3.14Å
375	N	86.2	Confident	93.8	Very high	73 Å²	73	27.2 Å²	27.2	39%	0.39	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	12	-179.9	-65.3	-87.9	0	0	0	113.2	T373 Y377 E400 K459	T373-N375 PolarHBondContact O-N 2.81Å; T373-N375 VanDerWaalsContact O-N 3.08Å; T373-N375 PolarHBondContact OG1-N 2.85Å; N375-Y377 HydrophobicContact CB-CD2 3.65Å; N375-Y377 HydrophobicContact CB-CE2 3.64Å; N375-E400 WeakPolarHBondContact CB-OE1 3.29Å; N375-E400 PolarHBondContact N-OE1 3.4Å; N375-E400 PolarHBondContact ND2-OE1 3.09Å; N375-K459 WeakPolarHBondContact O-CE 3.31Å; N375-K459 PolarHBondContact O-NZ 2.86Å
376	G	90.6	Very high	93.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	69.2	32.1	179.7	0	0	0	0	0	114.1	T373 H457 K459	T373-G376 PolarHBondContact O-N 3.2Å; G376-H457 VanDerWaalsContact CA-CD2 3.49Å; G376-H457 WeakPolarHBondContact CA-CD2 3.18Å; G376-H457 WeakPolarHBondContact CA-NE2 3.33Å; G376-K459 WeakPolarHBondContact O-CB 3.18Å; G376-K459 PolarHBondContact O-N 2.9Å
377	Y	91.1	Very high	93.8	Very high	124 Å²	124	25.3 Å²	25.3	49%	0.486	11%	0.11	S	C	.	.	P	Polyproline II helix	trans	-98.4	163	172.2	-66.2	-76.8	0	0	0	111.3	T373 N375 P379 K459	T373-Y377 WeakPolarHBondContact CG2-O 3.36Å; T373-Y377 PolarHBondContact N-O 2.96Å; T373-Y377 PolarHBondContact OG1-N 2.89Å; N375-Y377 HydrophobicContact CB-CD2 3.65Å; N375-Y377 HydrophobicContact CB-CE2 3.64Å; Y377-P379 WeakPolarHBondContact O-CD 3.3Å; Y377-K459 HydrophobicContact CD1-CB 4.35Å; Y377-K459 HydrophobicContact CD1-CD 3.75Å; Y377-K459 HydrophobicContact CE1-CD 3.35Å; Y377-K459 HydrophobicContact CE2-CD 4.26Å; Y377-K459 HydrophobicContact CG-CD 4.35Å; Y377-K459 PolarHBondContact OH-NZ 3.01Å; Y377-K459 VanDerWaalsContact OH-NZ 3.16Å
378	K	92.8	Very high	93.8	Very high	60 Å²	60	25.1 Å²	25.1	26%	0.261	11%	0.109	S	C	.	.	P	Polyproline II helix	trans	-65.3	121.3	166.5	174.3	179	175.9	-177.4	0	108.7	L382 E384 F475 Y476	K378-L382 HydrophobicContact CD-CB 4.43Å; K378-L382 HydrophobicContact CD-CD2 3.91Å; K378-L382 VanDerWaalsContact CE-CD2 3.46Å; K378-L382 WeakPolarHBondContact CE-O 3.39Å; K378-L382 HydrophobicContact CG-CB 3.87Å; K378-L382 HydrophobicContact CG-CD1 4.33Å; K378-L382 HydrophobicContact CG-CD2 3.93Å; K378-L382 HydrophobicContact CG-CG 4.25Å; K378-L382 PolarHBondContact NZ-O 2.84Å; K378-E384 IonicContact NZ-OE1 2.68Å; K378-E384 PolarHBondContact NZ-OE1 2.93Å; K378-F475 HydrophobicContact CB-CD2 4.11Å; K378-F475 HydrophobicContact CB-CE2 4.45Å; K378-F475 HydrophobicContact CD-CD2 4.17Å; K378-F475 HydrophobicContact CD-CE2 4.24Å; K378-F475 HydrophobicContact CD-CG 4.33Å; K378-F475 HydrophobicContact CD-CZ 4.47Å; K378-Y476 PolarHBondContact N-OH 2.93Å
379	P	91	Very high	93.8	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.013	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-63.8	153.2	170.2	-19.5	31.8	0	0	0	112	S371 T373 Y377 Y381 L382	S371-P379 WeakPolarHBondContact O-CD 3.48Å; T373-P379 HydrophobicContact CG2-CB 4.23Å; T373-P379 HydrophobicContact CG2-CG 3.91Å; Y377-P379 WeakPolarHBondContact O-CD 3.3Å; P379-Y381 HydrophobicContact CB-CD1 3.92Å; P379-Y381 HydrophobicContact CB-CD2 4.22Å; P379-Y381 HydrophobicContact CB-CE1 3.41Å; P379-Y381 VanDerWaalsContact CB-CE1 3.41Å; P379-Y381 HydrophobicContact CB-CE2 3.75Å; P379-Y381 HydrophobicContact CB-CG 4.29Å; P379-Y381 HydrophobicContact CG-CE1 4.4Å; P379-Y381 HydrophobicContact CG-CE2 4.19Å; P379-Y381 PolarHBondContact O-N 3.32Å; P379-L382 WeakPolarHBondContact O-CB 3.15Å; P379-L382 PolarHBondContact O-N 2.95Å; P379-L382 VanDerWaalsContact O-N 3.08Å
380	W	87.4	Confident	93.8	Very high	152 Å²	152	25.2 Å²	25.2	58%	0.576	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-21.2	-175.4	61.7	-94.7	0	0	0	114.3	G349 R350	G349-W380 CarbonylContact C-O 3.59Å; R350-W380 HydrophobicContact CB-CE3 4.01Å; R350-W380 HydrophobicContact CB-CZ3 4.34Å; R350-W380 PolarHBondContact N-O 2.82Å
381	Y	90.6	Very high	93.8	Very high	5 Å²	5	25.2 Å²	25.2	2%	0.02	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-9.2	176.9	52.5	-96	0	0	0	113.2	N347 G349 P379 E383 S394 S395 G418 T419	N347-Y381 CarbonylContact C-O 3.57Å; N347-Y381 WeakPolarHBondContact CA-O 3.49Å; N347-Y381 WeakPolarHBondContact O-CA 3.32Å; N347-Y381 WeakPolarHBondContact O-CB 3.35Å; G349-Y381 WeakPolarHBondContact CA-O 3.4Å; G349-Y381 PolarHBondContact N-O 3.5Å; P379-Y381 HydrophobicContact CB-CD1 3.92Å; P379-Y381 HydrophobicContact CB-CD2 4.22Å; P379-Y381 HydrophobicContact CB-CE1 3.41Å; P379-Y381 VanDerWaalsContact CB-CE1 3.41Å; P379-Y381 HydrophobicContact CB-CE2 3.75Å; P379-Y381 HydrophobicContact CB-CG 4.29Å; P379-Y381 HydrophobicContact CG-CE1 4.4Å; P379-Y381 HydrophobicContact CG-CE2 4.19Å; P379-Y381 PolarHBondContact O-N 3.32Å; Y381-E383 PolarHBondContact O-N 2.58Å; Y381-S394 WeakPolarHBondContact OH-CB 3.26Å; Y381-S394 PolarHBondContact OH-OG 2.78Å; Y381-S395 WeakPolarHBondContact CE1-OG 3.32Å; Y381-S395 PolarHBondContact OH-O 3.11Å; Y381-S395 PolarHBondContact OH-OG 2.67Å; Y381-S395 VanDerWaalsContact OH-OG 3.1Å; Y381-G418 VanDerWaalsContact CE2-CA 3.46Å; Y381-T419 HydrophobicContact CD2-CG2 4.1Å; Y381-T419 HydrophobicContact CE2-CG2 4.01Å
382	L	94.4	Very high	93.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-67.5	122	-172.1	-178.5	149.8	0	0	0	112	G349 S370 S371 K378 P379 E384 F475	G349-L382 WeakPolarHBondContact CA-O 3.46Å; S370-L382 WeakPolarHBondContact OG-CD1 3.28Å; S370-L382 VanDerWaalsContact OG-CG 3.26Å; S370-L382 WeakPolarHBondContact OG-CG 3.44Å; S371-L382 WeakPolarHBondContact O-CD1 3.31Å; K378-L382 HydrophobicContact CD-CB 4.43Å; K378-L382 HydrophobicContact CD-CD2 3.91Å; K378-L382 VanDerWaalsContact CE-CD2 3.46Å; K378-L382 WeakPolarHBondContact CE-O 3.39Å; K378-L382 HydrophobicContact CG-CB 3.87Å; K378-L382 HydrophobicContact CG-CD1 4.33Å; K378-L382 HydrophobicContact CG-CD2 3.93Å; K378-L382 HydrophobicContact CG-CG 4.25Å; K378-L382 PolarHBondContact NZ-O 2.84Å; P379-L382 WeakPolarHBondContact O-CB 3.15Å; P379-L382 PolarHBondContact O-N 2.95Å; P379-L382 VanDerWaalsContact O-N 3.08Å; L382-E384 HydrophobicContact CD2-CG 4.16Å; L382-F475 HydrophobicContact CD2-CB 4.23Å
383	E	96.1	Very high	93.8	Very high	5 Å²	5	25.3 Å²	25.3	2%	0.023	11%	0.11	C	C	.	.	P	Polyproline II helix	trans	-81.1	146.3	165.4	-71.5	178.9	-126.6	0	0	111.7	S345 G346 N347 G348 D353 Y354 C355 Y381	S345-E383 WeakPolarHBondContact O-CB 3.25Å; G346-E383 WeakPolarHBondContact CA-OE1 3.46Å; N347-E383 PolarHBondContact N-OE1 3.11Å; N347-E383 VanDerWaalsContact N-OE1 3.11Å; G348-E383 WeakPolarHBondContact CA-OE1 3.36Å; G348-E383 PolarHBondContact N-OE1 2.86Å; D353-E383 HydrophobicContact CB-CG 4.11Å; Y354-E383 PolarHBondContact N-OE2 2.86Å; C355-E383 WeakPolarHBondContact CA-OE2 3.29Å; C355-E383 HydrophobicContact CB-CB 4Å; C355-E383 PolarHBondContact N-OE2 2.75Å; Y381-E383 PolarHBondContact O-N 2.58Å
384	E	94.8	Very high	94	Very high	52 Å²	52	25.2 Å²	25.2	24%	0.243	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-103.3	137.9	-179.1	-57.5	172.1	-160.6	0	0	108.4	Y354 C355 K378 L382 H474 F475	Y354-E384 WeakPolarHBondContact CA-O 3.28Å; Y354-E384 HydrophobicContact CD2-CB 4.02Å; Y354-E384 WeakPolarHBondContact CD2-O 3.07Å; Y354-E384 HydrophobicContact CE2-CB 3.58Å; Y354-E384 WeakPolarHBondContact CE2-O 3.29Å; C355-E384 PolarHBondContact N-O 2.85Å; C355-E384 VanDerWaalsContact SG-C 3.5Å; K378-E384 IonicContact NZ-OE1 2.68Å; K378-E384 PolarHBondContact NZ-OE1 2.93Å; L382-E384 HydrophobicContact CD2-CG 4.16Å; E384-H474 WeakPolarHBondContact CA-O 3.44Å; E384-H474 HydrophobicContact CB-CB 4.42Å; E384-F475 HydrophobicContact CB-CD1 4.47Å; E384-F475 HydrophobicContact CG-CD1 3.64Å; E384-F475 HydrophobicContact CG-CE1 3.91Å; E384-F475 WeakPolarHBondContact OE1-CE1 3.5Å; E384-F475 WeakPolarHBondContact OE2-CE1 3.23Å
385	C	94.1	Very high	94.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.1	C	C	.	.			trans	-163.9	155.1	170.1	50.8	0	0	0	0	111.4	Y354 C355 S356 S387 T388 H474	Y354-C385 HydrophobicContact CD1-CB 4.48Å; Y354-C385 HydrophobicContact CE1-CB 4.27Å; C355-C385 HydrophobicContact CB-CB 3.93Å; C355-C385 WeakPolarHBondContact CB-SG 3.38Å; C355-C385 WeakPolarHBondContact SG-CB 3.23Å; C355-C385 CovalentContact SG-SG 2.03Å; C355-C385 PolarHBondContact SG-SG 3.39Å; S356-C385 WeakPolarHBondContact OG-CB 3.45Å; C385-S387 PolarHBondContact O-N 2.77Å; C385-S387 PolarHBondContact SG-OG 3.09Å; C385-T388 PolarHBondContact SG-OG1 3.46Å; C385-H474 PolarHBondContact N-O 2.73Å; C385-H474 VanDerWaalsContact N-O 3.11Å
386	A	98	Very high	93.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-4.5	178.3	0	0	0	0	0	114	Q569 T590 V591 H592	A386-Q569 WeakPolarHBondContact CB-O 3.45Å; A386-T590 CarbonylContact O-C 3.53Å; A386-T590 VanDerWaalsContact O-CA 3.31Å; A386-T590 WeakPolarHBondContact O-CA 3.5Å; A386-V591 WeakPolarHBondContact O-CG2 3.34Å; A386-V591 PolarHBondContact O-N 2.03Å; A386-H592 PolarHBondContact O-CD2 2.91Å; A386-H592 VanDerWaalsContact O-CD2 3.32Å
387	S	98.1	Very high	93	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.021	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-19.8	175	47	0	0	0	0	113.9	C385 L389 M589	C385-S387 PolarHBondContact O-N 2.77Å; C385-S387 PolarHBondContact SG-OG 3.09Å; S387-L389 PolarHBondContact O-N 3.21Å; S387-M589 VanDerWaalsContact CB-CE 3.47Å
388	T	98.6	Very high	91.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.111	C	C	.	.			trans	-58.5	122.8	177.3	-65.2	0	0	0	0	111	C385 G477 V591	C385-T388 PolarHBondContact SG-OG1 3.46Å; T388-G477 WeakPolarHBondContact O-CA 3.15Å; T388-V591 WeakPolarHBondContact O-CG2 3.21Å
389	L	98.7	Very high	90.5	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	13%	0.129	C	C	.	.			trans	-90.5	-43	-177.4	-162.1	75.7	0	0	0	112.1	I367 S368 S387 Q446 L449 V450 F478 V591 W594	I367-L389 HydrophobicContact CG2-CD2 4.01Å; S368-L389 PolarHBondContact O-N 2.93Å; S387-L389 PolarHBondContact O-N 3.21Å; L389-Q446 HydrophobicContact CD2-CB 4Å; L389-Q446 HydrophobicContact CD2-CG 3.97Å; L389-L449 HydrophobicContact CD2-CB 3.99Å; L389-L449 HydrophobicContact CD2-CD1 3.98Å; L389-V450 HydrophobicContact CD1-CG2 3.65Å; L389-V450 HydrophobicContact CG-CG2 4.26Å; L389-F478 HydrophobicContact CD1-CD2 4.26Å; L389-F478 HydrophobicContact CD1-CE2 4.15Å; L389-F478 WeakPolarHBondContact O-CD2 3.4Å; L389-F478 PolarHBondContact O-N 3.41Å; L389-V591 HydrophobicContact CD1-CB 4.08Å; L389-V591 HydrophobicContact CD1-CG1 3.99Å; L389-V591 HydrophobicContact CD1-CG2 4.03Å; L389-W594 HydrophobicContact CD1-CE3 4.45Å; L389-W594 HydrophobicContact CD1-CZ3 4.25Å
390	A	98.1	Very high	89.7	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	177.6	-173.2	0	0	0	0	0	113.1	V369 S370 Y476 V481	V369-A390 WeakPolarHBondContact CA-O 3.33Å; S370-A390 PolarHBondContact N-O 3.11Å; A390-Y476 CarbonylContact C-O 3.59Å; A390-V481 HydrophobicContact CB-CG2 3.57Å
391	T	98.3	Very high	89.6	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	148.5	-174.5	-63.9	0	0	0	0	112.8	S370 A372 L458 Y476 G479 L480 V481	S370-T391 VanDerWaalsContact O-CA 3.29Å; S370-T391 WeakPolarHBondContact O-CA 3.48Å; A372-T391 HydrophobicContact CB-CG2 3.77Å; T391-L458 HydrophobicContact CG2-CD1 4.05Å; T391-Y476 HydrophobicContact CG2-CD1 3.94Å; T391-Y476 VanDerWaalsContact OG1-C 3.32Å; T391-Y476 WeakPolarHBondContact OG1-CA 3.49Å; T391-Y476 VanDerWaalsContact OG1-CB 3.28Å; T391-Y476 WeakPolarHBondContact OG1-CB 3.1Å; T391-Y476 PolarHBondContact OG1-O 2.8Å; T391-G479 PolarHBondContact N-O 2.66Å; T391-L480 HydrophobicContact CG2-CD1 4.43Å; T391-L480 WeakPolarHBondContact O-CA 3.16Å; T391-V481 PolarHBondContact O-N 3.45Å
392	T	97.3	Very high	89.6	Confident	0 Å²	0	31 Å²	31	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	176.2	162.2	71.3	0	0	0	0	111.2	M184 V369 S370 S371 A372 S422 M425 V426	M184-T392 HydrophobicContact CE-CG2 3.53Å; M184-T392 HydrophobicContact SD-CG2 4.23Å; V369-T392 HydrophobicContact CG1-CG2 4.47Å; S370-T392 PolarHBondContact O-N 3.05Å; S370-T392 VanDerWaalsContact O-N 3.15Å; S371-T392 CarbonylContact C-O 3.56Å; S371-T392 WeakPolarHBondContact CA-O 3.44Å; A372-T392 PolarHBondContact N-O 3.3Å; T392-S422 WeakPolarHBondContact OG1-CA 2.89Å; T392-S422 WeakPolarHBondContact OG1-CB 3.31Å; T392-S422 PolarHBondContact OG1-OG 3.14Å; T392-M425 HydrophobicContact CG2-CB 3.86Å; T392-M425 PolarHBondContact OG1-SD 3.39Å; T392-M425 VanDerWaalsContact OG1-SD 3.39Å; T392-V426 HydrophobicContact CG2-CG2 3.4Å; T392-V426 VanDerWaalsContact CG2-CG2 3.4Å
393	Y	95.4	Very high	89.5	Confident	2 Å²	2	31 Å²	31	1%	0.008	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	148.1	166.9	-66.1	-62.2	0	0	0	112	W169 R181 E183 M184 A372 H457 L480	W169-Y393 AromaticContact CH2-CD1 3.72Å; W169-Y393 HydrophobicContact CH2-CD1 3.72Å; W169-Y393 AromaticContact CH2-CG 3.75Å; W169-Y393 HydrophobicContact CH2-CG 3.75Å; W169-Y393 AromaticContact CZ3-CD1 3.47Å; W169-Y393 HydrophobicContact CZ3-CD1 3.47Å; W169-Y393 VanDerWaalsContact CZ3-CD1 3.47Å; W169-Y393 HydrophobicContact CZ3-CD2 4.08Å; W169-Y393 AromaticContact CZ3-CE1 3.93Å; W169-Y393 HydrophobicContact CZ3-CE1 3.93Å; W169-Y393 AromaticContact CZ3-CG 3.54Å; W169-Y393 HydrophobicContact CZ3-CG 3.54Å; R181-Y393 PolarHBondContact O-OH 3.39Å; E183-Y393 PolarHBondContact N-OH 2.86Å; M184-Y393 HydrophobicContact CG-CD2 3.86Å; M184-Y393 HydrophobicContact CG-CE2 3.83Å; M184-Y393 HydrophobicContact SD-CD2 3.37Å; M184-Y393 WeakPolarHBondContact SD-CD2 3.2Å; M184-Y393 HydrophobicContact SD-CE2 4Å; M184-Y393 HydrophobicContact SD-CG 4.15Å; A372-Y393 CarbonylContact O-C 3.6Å; A372-Y393 WeakPolarHBondContact O-CA 3.43Å; Y393-H457 AromaticContact CE1-CE1 3.58Å; Y393-H457 AromaticContact CE1-NE2 3.61Å; Y393-H457 AromaticContact CZ-CE1 3.67Å; Y393-H457 PolarHBondContact OH-CE1 3.15Å; Y393-L480 HydrophobicContact CE2-CD2 4.21Å
394	S	94.7	Very high	89.5	Confident	0 Å²	0	31 Å²	31	0%	0	14%	0.14	C	C	.	.			trans	-150.2	-169.3	161.5	-173.6	0	0	0	0	108.8	S371 A372 Y381 G418	S371-S394 WeakPolarHBondContact OG-CB 3.1Å; A372-S394 PolarHBondContact O-N 3.37Å; Y381-S394 WeakPolarHBondContact OH-CB 3.26Å; Y381-S394 PolarHBondContact OH-OG 2.78Å; S394-G418 PolarHBondContact OG-O 2.86Å
395	S	89.1	Confident	89.6	Confident	4 Å²	4	28.5 Å²	28.5	3%	0.028	13%	0.129	C	C	.	.			trans	-60	158.8	173.3	65	0	0	0	0	114.1	Y381 T417 G418	Y381-S395 WeakPolarHBondContact CE1-OG 3.32Å; Y381-S395 PolarHBondContact OH-O 3.11Å; Y381-S395 PolarHBondContact OH-OG 2.67Å; Y381-S395 VanDerWaalsContact OH-OG 3.1Å; S395-T417 VanDerWaalsContact OG-CA 3.24Å; S395-T417 WeakPolarHBondContact OG-CA 3.18Å; S395-T417 VanDerWaalsContact OG-CB 3.27Å; S395-T417 WeakPolarHBondContact OG-CB 3.45Å; S395-G418 PolarHBondContact OG-N 3.15Å
396	G	83	Confident	89.8	Confident	9 Å²	9	28.5 Å²	28.5	9%	0.093	13%	0.129	C	C	.	.			trans	-136.6	-129.5	178.2	0	0	0	0	0	113.8	T373 E400	T373-G396 VanDerWaalsContact CG2-CA 3.43Å; G396-E400 WeakPolarHBondContact CA-OE2 3.38Å
397	A	70.5	Confident	89.8	Confident	32 Å²	32	29.6 Å²	29.6	26%	0.264	13%	0.134	S	C	.	.	S	Bend	trans	-65.7	161.3	169.7	0	0	0	0	0	111.4	Y399 E400	A397-Y399 HydrophobicContact CB-CD1 3.89Å; A397-Y399 HydrophobicContact CB-CE1 3.39Å; A397-Y399 HydrophobicContact CB-CE2 4.29Å; A397-Y399 PolarHBondContact O-N 2.85Å; A397-E400 HydrophobicContact CB-CG 4.37Å; A397-E400 PolarHBondContact N-OE2 2.95Å; A397-E400 PolarHBondContact O-N 2.95Å
398	F	65.6	Low	89.5	Confident	171 Å²	171	29.6 Å²	29.6	75%	0.75	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-13.6	-175.1	72.6	-91.9	0	0	0	115.9
399	Y	66.9	Low	89.4	Confident	166 Å²	166	34.6 Å²	34.6	65%	0.651	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-6	179.3	59.8	-97.9	0	0	0	113.5	A397	A397-Y399 HydrophobicContact CB-CD1 3.89Å; A397-Y399 HydrophobicContact CB-CE1 3.39Å; A397-Y399 HydrophobicContact CB-CE2 4.29Å; A397-Y399 PolarHBondContact O-N 2.85Å
400	E	75.1	Confident	89.2	Confident	16 Å²	16	38.6 Å²	38.6	8%	0.075	17%	0.172	C	C	.	.	S	Bend	trans	-87.4	152.2	172.3	-63.3	-177.5	105.2	0	0	109.4	T373 E374 N375 G396 A397	T373-E400 VanDerWaalsContact CB-OE1 3.24Å; T373-E400 WeakPolarHBondContact CB-OE1 3.07Å; T373-E400 WeakPolarHBondContact CB-OE2 3.47Å; T373-E400 WeakPolarHBondContact CG2-OE2 3.46Å; T373-E400 PolarHBondContact OG1-OE1 3.46Å; T373-E400 PolarHBondContact OG1-OE2 3.07Å; E374-E400 HydrophobicContact CB-CB 4.42Å; N375-E400 WeakPolarHBondContact CB-OE1 3.29Å; N375-E400 PolarHBondContact N-OE1 3.4Å; N375-E400 PolarHBondContact ND2-OE1 3.09Å; G396-E400 WeakPolarHBondContact CA-OE2 3.38Å; A397-E400 HydrophobicContact CB-CG 4.37Å; A397-E400 PolarHBondContact N-OE2 2.95Å; A397-E400 PolarHBondContact O-N 2.95Å
401	R	84.1	Confident	89.1	Confident	89 Å²	89	46 Å²	46	34%	0.336	20%	0.2	S	C	.	.			trans	-68.9	144	-179	-67.3	-177.9	-78.8	173.1	3.6	111	W169 E374	W169-R401 VanDerWaalsContact CB-NH1 3.31Å; W169-R401 HydrophobicContact CD2-CB 4.33Å; W169-R401 HydrophobicContact CG-CB 4.16Å; W169-R401 HydrophobicContact CZ2-CB 4.49Å; W169-R401 WeakPolarHBondContact CZ2-O 3.37Å; W169-R401 VanDerWaalsContact NE1-CB 3.29Å; E374-R401 VanDerWaalsContact CD-NE 3.34Å; E374-R401 IonicContact OE1-CZ 3.62Å; E374-R401 IonicContact OE1-NE 3.42Å; E374-R401 PolarHBondContact OE1-NE 2.81Å; E374-R401 IonicContact OE1-NH2 3.86Å; E374-R401 PolarHBondContact OE1-NH2 3.22Å; E374-R401 WeakPolarHBondContact OE2-CB 3.41Å; E374-R401 WeakPolarHBondContact OE2-CG 3.35Å; E374-R401 PolarHBondContact OE2-N 3.4Å; E374-R401 IonicContact OE2-NE 3.89Å; E374-R401 PolarHBondContact OE2-NE 3.14Å
402	K	90.1	Very high	88.9	Confident	97 Å²	97	48.5 Å²	48.5	42%	0.422	22%	0.217	S	C	.	.			trans	-96.5	-176.4	174.3	-68.6	-178.6	-178.9	-177.2	0	110	W169 D414 T417	W169-K402 PolarHBondContact NE1-O 2.88Å; K402-D414 VanDerWaalsContact CB-O 3.25Å; K402-D414 WeakPolarHBondContact CB-O 3.44Å; K402-T417 HydrophobicContact CD-CG2 3.76Å; K402-T417 HydrophobicContact CG-CG2 4.14Å
403	I	93.7	Very high	88.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	137.6	-178.4	-58	-60.3	0	0	0	110.4	W169 Y170 E253 D414 H416 V421	W169-I403 HydrophobicContact CZ2-CD1 4.15Å; Y170-I403 HydrophobicContact CD1-CD1 3.41Å; Y170-I403 VanDerWaalsContact CD1-CD1 3.41Å; Y170-I403 HydrophobicContact CD2-CD1 4.47Å; Y170-I403 HydrophobicContact CE1-CB 4.46Å; Y170-I403 HydrophobicContact CE1-CD1 3.56Å; Y170-I403 HydrophobicContact CE1-CG2 4.19Å; Y170-I403 HydrophobicContact CG-CD1 3.91Å; E253-I403 HydrophobicContact CG-CG2 4.28Å; E253-I403 WeakPolarHBondContact OE2-CG2 3.41Å; I403-D414 CarbonylContact O-C 3.56Å; I403-H416 HydrophobicContact CB-CB 4.27Å; I403-H416 PolarHBondContact N-O 2.94Å; I403-H416 PolarHBondContact O-N 3.22Å; I403-V421 HydrophobicContact CB-CG1 4.43Å; I403-V421 HydrophobicContact CB-CG2 4.3Å; I403-V421 HydrophobicContact CD1-CG1 4.3Å; I403-V421 HydrophobicContact CG1-CG1 3.68Å; I403-V421 HydrophobicContact CG1-CG2 4.08Å; I403-V421 HydrophobicContact CG2-CG1 4.32Å
404	V	95	Very high	88.4	Confident	5 Å²	5	54.7 Å²	54.7	3%	0.03	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.2	-179.5	-71	0	0	0	0	109.6	I164 N167 M168 Y170 I264 T413 D414	I164-V404 HydrophobicContact CG2-CB 3.77Å; I164-V404 HydrophobicContact CG2-CG1 3.75Å; I164-V404 HydrophobicContact CG2-CG2 4.03Å; N167-V404 HydrophobicContact CB-CG1 4.19Å; M168-V404 HydrophobicContact CB-CG2 4.37Å; M168-V404 HydrophobicContact CE-CG2 4.36Å; M168-V404 HydrophobicContact CG-CG2 3.65Å; Y170-V404 HydrophobicContact CE1-CG2 4.11Å; Y170-V404 WeakPolarHBondContact OH-CG2 3.34Å; Y170-V404 PolarHBondContact OH-N 2.9Å; Y170-V404 PolarHBondContact OH-O 3.05Å; I264-V404 HydrophobicContact CG2-CB 4.19Å; I264-V404 HydrophobicContact CG2-CG2 4.16Å; V404-T413 CarbonylContact C-O 3.46Å; V404-T413 WeakPolarHBondContact CA-O 3.24Å; V404-D414 HydrophobicContact CG1-CB 3.75Å
405	T	98	Very high	88	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	175.9	-177.7	-170.5	0	0	0	0	111.9	R249 G252 E253 C412 T413 H416	R249-T405 HydrophobicContact CB-CG2 3.68Å; R249-T405 HydrophobicContact CG-CG2 4Å; R249-T405 WeakPolarHBondContact O-CG2 3.44Å; R249-T405 PolarHBondContact O-OG1 2.81Å; G252-T405 WeakPolarHBondContact CA-OG1 3.37Å; E253-T405 HydrophobicContact CG-CG2 4.36Å; E253-T405 PolarHBondContact N-OG1 3.46Å; T405-C412 WeakPolarHBondContact O-CA 3.08Å; T405-T413 HydrophobicContact CG2-CG2 3.77Å; T405-T413 PolarHBondContact N-O 3.1Å; T405-T413 PolarHBondContact O-N 3.44Å; T405-H416 HydrophobicContact CG2-CB 4.13Å
406	T	97.6	Very high	88.1	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	148.9	170.7	52.4	0	0	0	0	110.9	H212 D214 L215 T248 R249 G252 A256 I264	H212-T406 VanDerWaalsContact CE1-CB 3.45Å; H212-T406 WeakPolarHBondContact CE1-CB 3.25Å; H212-T406 WeakPolarHBondContact CE1-CG2 3.39Å; D214-T406 HydrophobicContact CB-CG2 3.71Å; L215-T406 HydrophobicContact CD2-CG2 4.13Å; L215-T406 HydrophobicContact CG-CG2 4.3Å; T248-T406 PolarHBondContact O-OG1 2.8Å; R249-T406 WeakPolarHBondContact CA-O 3.31Å; R249-T406 WeakPolarHBondContact CG-O 3.47Å; G252-T406 VanDerWaalsContact CA-OG1 3.23Å; G252-T406 WeakPolarHBondContact CA-OG1 3.37Å; G252-T406 PolarHBondContact N-OG1 2.82Å; A256-T406 HydrophobicContact CB-CG2 4.21Å; I264-T406 HydrophobicContact CG1-CG2 4.43Å
407	D	97.6	Very high	88.4	Confident	22 Å²	22	58.1 Å²	58.1	12%	0.118	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	156.6	-177.9	-160.2	14.2	0	0	0	111.2	H212 R249 R411 T413	H212-D407 PolarHBondContact CD2-O 3.17Å; R249-D407 IonicContact CZ-OD1 3.73Å; R249-D407 IonicContact CZ-OD2 2.7Å; R249-D407 IonicContact NE-OD1 3.71Å; R249-D407 PolarHBondContact NE-OD1 3.11Å; R249-D407 IonicContact NE-OD2 3.12Å; R249-D407 IonicContact NH2-OD1 2.78Å; R249-D407 PolarHBondContact NH2-OD1 3.03Å; R249-D407 VanDerWaalsContact NH2-OD1 3.14Å; R249-D407 IonicContact NH2-OD2 3.9Å; R249-D407 PolarHBondContact NH2-OD2 3.22Å; D407-R411 HydrophobicContact CB-CB 4.04Å; D407-R411 PolarHBondContact N-O 3.11Å; D407-R411 PolarHBondContact O-N 2.67Å; D407-T413 HydrophobicContact CB-CG2 4.4Å
408	L	92.9	Very high	89.3	Confident	3 Å²	3	57 Å²	57	2%	0.016	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	146.2	-174.4	-168	70.8	0	0	0	112.1	P236 Y238 N242 N244 K245	P236-L408 HydrophobicContact CB-CD1 4.08Å; P236-L408 HydrophobicContact CG-CD1 3.37Å; Y238-L408 HydrophobicContact CD1-CD1 3.96Å; Y238-L408 HydrophobicContact CD1-CD2 4Å; Y238-L408 HydrophobicContact CD1-CG 3.89Å; Y238-L408 HydrophobicContact CE1-CD1 3.57Å; Y238-L408 HydrophobicContact CE1-CD2 4.42Å; Y238-L408 HydrophobicContact CE1-CG 3.83Å; N242-L408 HydrophobicContact CB-CD2 3.96Å; N244-L408 WeakPolarHBondContact O-CD2 3.43Å; K245-L408 HydrophobicContact CB-CB 3.71Å; K245-L408 HydrophobicContact CB-CD2 4.33Å
409	R	94.8	Very high	90.2	Very high	105 Å²	105	48.8 Å²	48.8	40%	0.396	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	36.9	-176.3	-46.5	179.1	177	-80.1	-2.9	113.7	E209 Y238 D239 N242	E209-R409 VanDerWaalsContact OE1-CA 3.3Å; E209-R409 WeakPolarHBondContact OE1-CA 3.4Å; E209-R409 PolarHBondContact OE1-N 3.49Å; Y238-R409 HydrophobicContact CD1-CG 3.95Å; Y238-R409 HydrophobicContact CE1-CG 4.08Å; D239-R409 PolarHBondContact O-NH2 2.72Å; N242-R409 PolarHBondContact OD1-NE 3.48Å; N242-R409 PolarHBondContact OD1-NH2 3.19Å
410	Q	95.6	Very high	91.2	Very high	89 Å²	89	41.5 Å²	41.5	42%	0.416	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	63.8	-178.7	-51.7	-171.1	-3.8	0	0	110.9	E209 N211 P213 Y262	E209-Q410 WeakPolarHBondContact OE2-CA 3.46Å; E209-Q410 VanDerWaalsContact OE2-CG 3.23Å; E209-Q410 WeakPolarHBondContact OE2-CG 3.38Å; E209-Q410 PolarHBondContact OE2-N 2.85Å; N211-Q410 PolarHBondContact O-NE2 2.81Å; N211-Q410 VanDerWaalsContact O-NE2 3.16Å; P213-Q410 HydrophobicContact CG-CB 4.36Å; Y262-Q410 PolarHBondContact OH-O 2.91Å
411	R	95.3	Very high	92.1	Very high	156 Å²	156	40.7 Å²	40.7	59%	0.589	20%	0.198	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.8	174.5	-172.4	-74.1	-175.4	176.8	-158.2	-2.4	112.1	H212 D407	H212-R411 PolarHBondContact NE2-N 3.2Å; H212-R411 PolarHBondContact NE2-O 3Å; D407-R411 HydrophobicContact CB-CB 4.04Å; D407-R411 PolarHBondContact N-O 3.11Å; D407-R411 PolarHBondContact O-N 2.67Å
412	C	94.9	Very high	92.7	Very high	52 Å²	52	36.5 Å²	36.5	35%	0.351	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	141.7	172	-59.4	0	0	0	0	109.3	I164 C263 T405	I164-C412 HydrophobicContact CD1-CB 3.3Å; C263-C412 WeakPolarHBondContact CA-SG 3.4Å; C263-C412 HydrophobicContact CB-CB 4.42Å; C263-C412 WeakPolarHBondContact CB-SG 3.35Å; C263-C412 WeakPolarHBondContact SG-CA 3.39Å; C263-C412 WeakPolarHBondContact SG-CB 3.49Å; C263-C412 CovalentContact SG-SG 2.03Å; C263-C412 PolarHBondContact SG-SG 3.34Å; T405-C412 WeakPolarHBondContact O-CA 3.08Å
413	T	93.1	Very high	93.1	Very high	14 Å²	14	31.9 Å²	31.9	9%	0.086	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	145.8	168.8	-162.2	0	0	0	0	109.9	R249 V404 T405 D407 G415 H416	R249-T413 HydrophobicContact CG-CG2 4.31Å; R249-T413 PolarHBondContact NH2-OG1 3.05Å; V404-T413 CarbonylContact C-O 3.46Å; V404-T413 WeakPolarHBondContact CA-O 3.24Å; T405-T413 HydrophobicContact CG2-CG2 3.77Å; T405-T413 PolarHBondContact N-O 3.1Å; T405-T413 PolarHBondContact O-N 3.44Å; D407-T413 HydrophobicContact CB-CG2 4.4Å; T413-G415 PolarHBondContact OG1-N 2.8Å; T413-H416 HydrophobicContact CG2-CB 4.21Å
414	D	88.3	Confident	93.3	Very high	118 Å²	118	31.9 Å²	31.9	63%	0.631	16%	0.162	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	16.1	160.8	64.8	-14.4	0	0	0	111.4	K402 I403 V404	K402-D414 VanDerWaalsContact CB-O 3.25Å; K402-D414 WeakPolarHBondContact CB-O 3.44Å; I403-D414 CarbonylContact O-C 3.56Å; V404-D414 HydrophobicContact CG1-CB 3.75Å
415	G	86.7	Confident	93.5	Very high	21 Å²	21	31.6 Å²	31.6	22%	0.216	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	22.6	-164.5	0	0	0	0	0	114.9	T413	T413-G415 PolarHBondContact OG1-N 2.8Å
416	H	91.4	Very high	93.5	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.019	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	146.5	173.1	-157.5	18.3	0	0	0	111.3	H246 E253 I403 T405 T413 V421	H246-H416 AromaticContact CD2-CE1 3.7Å; H246-H416 AromaticContact NE2-CE1 3.62Å; E253-H416 IonicContact OE1-CD2 3.66Å; E253-H416 PolarHBondContact OE1-CD2 3.28Å; E253-H416 IonicContact OE1-NE2 2.75Å; I403-H416 HydrophobicContact CB-CB 4.27Å; I403-H416 PolarHBondContact N-O 2.94Å; I403-H416 PolarHBondContact O-N 3.22Å; T405-H416 HydrophobicContact CG2-CB 4.13Å; T413-H416 HydrophobicContact CG2-CB 4.21Å; H416-V421 HydrophobicContact CB-CG2 4.42Å
417	T	89.9	Confident	93.6	Very high	60 Å²	60	31.6 Å²	31.6	37%	0.368	16%	0.16	S	C	.	.			trans	-160.4	160.8	-159.4	57.5	0	0	0	0	110.6	S395 K402	S395-T417 VanDerWaalsContact OG-CA 3.24Å; S395-T417 WeakPolarHBondContact OG-CA 3.18Å; S395-T417 VanDerWaalsContact OG-CB 3.27Å; S395-T417 WeakPolarHBondContact OG-CB 3.45Å; K402-T417 HydrophobicContact CD-CG2 3.76Å; K402-T417 HydrophobicContact CG-CG2 4.14Å
418	G	89.3	Confident	93.6	Very high	7 Å²	7	30.5 Å²	30.5	7%	0.072	15%	0.154	C	C	.	.	S	Bend	trans	98.1	172.1	179.3	0	0	0	0	0	113.1	N347 Y381 S394 S395 S420	N347-G418 VanDerWaalsContact OD1-CA 3.23Å; N347-G418 WeakPolarHBondContact OD1-CA 3.36Å; Y381-G418 VanDerWaalsContact CE2-CA 3.46Å; S394-G418 PolarHBondContact OG-O 2.86Å; S395-G418 PolarHBondContact OG-N 3.15Å; G418-S420 PolarHBondContact O-N 3.14Å
419	T	84.6	Confident	93.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-69	-18.8	170.2	51.5	0	0	0	0	112	A344 G346 N347 S371 Y381 V421 S422	A344-T419 WeakPolarHBondContact CB-O 3.06Å; G346-T419 WeakPolarHBondContact O-CB 3.44Å; G346-T419 WeakPolarHBondContact O-CG2 3.45Å; G346-T419 PolarHBondContact O-OG1 3.22Å; N347-T419 PolarHBondContact ND2-OG1 2.75Å; N347-T419 PolarHBondContact OD1-N 3.24Å; N347-T419 PolarHBondContact OD1-OG1 2.82Å; S371-T419 WeakPolarHBondContact OG-CA 3.4Å; Y381-T419 HydrophobicContact CD2-CG2 4.1Å; Y381-T419 HydrophobicContact CE2-CG2 4.01Å; T419-V421 PolarHBondContact O-N 2.76Å; T419-V421 VanDerWaalsContact O-N 3.14Å; T419-S422 WeakPolarHBondContact O-CB 3.5Å; T419-S422 PolarHBondContact O-N 3.42Å
420	S	88.3	Confident	94.1	Very high	12 Å²	12	25.4 Å²	25.4	8%	0.084	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-59.4	-19.4	175.6	-44.2	0	0	0	0	115.2	H246 S305 G418 P424	H246-S420 WeakPolarHBondContact NE2-CB 3.15Å; S305-S420 WeakPolarHBondContact OG-CA 3.14Å; S305-S420 PolarHBondContact OG-O 3.23Å; G418-S420 PolarHBondContact O-N 3.14Å; S420-P424 WeakPolarHBondContact O-CD 3.47Å; S420-P424 VanDerWaalsContact O-CG 3.31Å; S420-P424 WeakPolarHBondContact O-CG 3.23Å
421	V	93.3	Very high	94.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-68.3	-46.1	165.7	160	0	0	0	0	111.4	E253 I403 H416 T419 A423 P424 M425	E253-V421 WeakPolarHBondContact OE2-CG1 3.41Å; I403-V421 HydrophobicContact CB-CG1 4.43Å; I403-V421 HydrophobicContact CB-CG2 4.3Å; I403-V421 HydrophobicContact CD1-CG1 4.3Å; I403-V421 HydrophobicContact CG1-CG1 3.68Å; I403-V421 HydrophobicContact CG1-CG2 4.08Å; I403-V421 HydrophobicContact CG2-CG1 4.32Å; H416-V421 HydrophobicContact CB-CG2 4.42Å; T419-V421 PolarHBondContact O-N 2.76Å; T419-V421 VanDerWaalsContact O-N 3.14Å; V421-A423 PolarHBondContact O-N 2.78Å; V421-P424 VanDerWaalsContact O-CD 3.24Å; V421-P424 WeakPolarHBondContact O-CD 3.08Å; V421-M425 HydrophobicContact CG1-CG 4.11Å; V421-M425 HydrophobicContact CG1-SD 3.89Å; V421-M425 WeakPolarHBondContact O-CG 3.48Å; V421-M425 PolarHBondContact O-N 2.6Å; V421-M425 VanDerWaalsContact O-N 3.14Å
422	S	96.9	Very high	94.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-72.6	-31.6	-160.7	-70	0	0	0	0	113.1	S370 S371 T392 T419 M425 V426	S370-S422 WeakPolarHBondContact O-CB 3.01Å; S370-S422 PolarHBondContact O-OG 2.93Å; S371-S422 PolarHBondContact OG-OG 3.23Å; T392-S422 WeakPolarHBondContact OG1-CA 2.89Å; T392-S422 WeakPolarHBondContact OG1-CB 3.31Å; T392-S422 PolarHBondContact OG1-OG 3.14Å; T419-S422 WeakPolarHBondContact O-CB 3.5Å; T419-S422 PolarHBondContact O-N 3.42Å; S422-M425 PolarHBondContact O-N 3.46Å; S422-V426 PolarHBondContact O-N 2.81Å
423	A	97.8	Very high	94.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.6	-51.7	173.3	0	0	0	0	0	112.9	V342 A344 V421 M425 V426 A427	V342-A423 HydrophobicContact CG1-CB 3.98Å; V342-A423 WeakPolarHBondContact CG1-O 3.43Å; A344-A423 HydrophobicContact CB-CB 4.23Å; V421-A423 PolarHBondContact O-N 2.78Å; A423-M425 VanDerWaalsContact C-N 3.28Å; A423-M425 PolarHBondContact O-N 2.78Å; A423-V426 PolarHBondContact O-N 2.69Å; A423-V426 VanDerWaalsContact O-N 3.11Å; A423-A427 PolarHBondContact O-N 2.8Å
424	P	98.4	Very high	94.9	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-50.1	-43.9	168.2	-30.3	33.4	0	0	0	113.8	C250 E253 V254 S303 S420 V421 V426 A427 G428	C250-P424 HydrophobicContact CB-CB 4.18Å; C250-P424 HydrophobicContact CB-CG 3.55Å; E253-P424 HydrophobicContact CB-CB 4.18Å; V254-P424 HydrophobicContact CG2-CB 4.11Å; V254-P424 WeakPolarHBondContact CG2-O 3.39Å; S303-P424 WeakPolarHBondContact OG-CA 3.16Å; S303-P424 WeakPolarHBondContact OG-CD 3.45Å; S420-P424 WeakPolarHBondContact O-CD 3.47Å; S420-P424 VanDerWaalsContact O-CG 3.31Å; S420-P424 WeakPolarHBondContact O-CG 3.23Å; V421-P424 VanDerWaalsContact O-CD 3.24Å; V421-P424 WeakPolarHBondContact O-CD 3.08Å; P424-V426 PolarHBondContact O-N 3.35Å; P424-A427 PolarHBondContact O-N 2.9Å; P424-G428 PolarHBondContact O-N 3.47Å
425	M	98.5	Very high	95.4	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-60.7	-42.9	177.6	-67.5	-167.5	85.7	0	0	112.7	Y170 L171 M184 E253 I267 T392 V421 S422 A423 G428 I429	Y170-M425 HydrophobicContact CD2-CE 3.35Å; Y170-M425 HydrophobicContact CE2-CE 4.06Å; Y170-M425 HydrophobicContact CG-CE 4.04Å; L171-M425 HydrophobicContact CD2-CE 4.4Å; M184-M425 HydrophobicContact CE-CB 4.46Å; M184-M425 HydrophobicContact CE-CE 3.61Å; M184-M425 HydrophobicContact CE-SD 4.36Å; M184-M425 HydrophobicContact SD-CE 3.93Å; E253-M425 VanDerWaalsContact OE2-CG 3.25Å; E253-M425 WeakPolarHBondContact OE2-CG 3.32Å; I267-M425 HydrophobicContact CD1-CB 3.9Å; I267-M425 HydrophobicContact CD1-CE 3.9Å; I267-M425 HydrophobicContact CD1-CG 4.1Å; T392-M425 HydrophobicContact CG2-CB 3.86Å; T392-M425 PolarHBondContact OG1-SD 3.39Å; T392-M425 VanDerWaalsContact OG1-SD 3.39Å; V421-M425 HydrophobicContact CG1-CG 4.11Å; V421-M425 HydrophobicContact CG1-SD 3.89Å; V421-M425 WeakPolarHBondContact O-CG 3.48Å; V421-M425 PolarHBondContact O-N 2.6Å; V421-M425 VanDerWaalsContact O-N 3.14Å; S422-M425 PolarHBondContact O-N 3.46Å; A423-M425 VanDerWaalsContact C-N 3.28Å; A423-M425 PolarHBondContact O-N 2.78Å; M425-G428 PolarHBondContact O-N 3.18Å; M425-I429 WeakPolarHBondContact O-CG1 3.48Å; M425-I429 PolarHBondContact O-N 3.02Å; M425-I429 VanDerWaalsContact O-N 3.09Å
426	V	98.8	Very high	96	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-70.3	-38.8	176.4	170.3	0	0	0	0	111.7	V342 I367 V369 T392 S422 A423 P424 G428 I429 I430 L449 V481	V342-V426 HydrophobicContact CG1-CB 3.97Å; V342-V426 HydrophobicContact CG1-CG1 3.88Å; I367-V426 HydrophobicContact CG2-CG1 4.46Å; V369-V426 HydrophobicContact CB-CG2 4.3Å; V369-V426 HydrophobicContact CG1-CB 4.37Å; V369-V426 HydrophobicContact CG1-CG2 3.5Å; V369-V426 HydrophobicContact CG2-CB 3.89Å; V369-V426 HydrophobicContact CG2-CG1 4Å; V369-V426 HydrophobicContact CG2-CG2 3.79Å; T392-V426 HydrophobicContact CG2-CG2 3.4Å; T392-V426 VanDerWaalsContact CG2-CG2 3.4Å; S422-V426 PolarHBondContact O-N 2.81Å; A423-V426 PolarHBondContact O-N 2.69Å; A423-V426 VanDerWaalsContact O-N 3.11Å; P424-V426 PolarHBondContact O-N 3.35Å; V426-G428 VanDerWaalsContact C-N 3.29Å; V426-G428 PolarHBondContact O-N 2.6Å; V426-I429 PolarHBondContact O-N 3.25Å; V426-I429 VanDerWaalsContact O-N 3.13Å; V426-I430 HydrophobicContact CG1-CD1 3.55Å; V426-I430 HydrophobicContact CG1-CG1 4.07Å; V426-I430 VanDerWaalsContact O-CG1 3.27Å; V426-I430 WeakPolarHBondContact O-CG1 3.46Å; V426-I430 PolarHBondContact O-N 2.98Å; V426-L449 HydrophobicContact CG1-CD1 4.47Å; V426-V481 HydrophobicContact CG2-CG2 3.99Å
427	A	98.9	Very high	96.3	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-57.5	-43.1	173.3	0	0	0	0	0	111.5	V201 V254 I301 V342 A423 P424 I430 A431	V201-A427 HydrophobicContact CG1-CB 4.26Å; V254-A427 HydrophobicContact CG2-CB 4.47Å; I301-A427 WeakPolarHBondContact CD1-O 3.27Å; I301-A427 HydrophobicContact CG2-CB 3.76Å; V342-A427 HydrophobicContact CG2-CB 4.27Å; A423-A427 PolarHBondContact O-N 2.8Å; P424-A427 PolarHBondContact O-N 2.9Å; A427-I430 PolarHBondContact O-N 3.19Å; A427-A431 PolarHBondContact O-N 2.99Å
428	G	98.8	Very high	96.7	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-60	-45.9	171.8	0	0	0	0	0	113.2	I267 P424 M425 V426 A431 L432	I267-G428 VanDerWaalsContact CG2-C 3.47Å; P424-G428 PolarHBondContact O-N 3.47Å; M425-G428 PolarHBondContact O-N 3.18Å; V426-G428 VanDerWaalsContact C-N 3.29Å; V426-G428 PolarHBondContact O-N 2.6Å; G428-A431 WeakPolarHBondContact O-CB 3.41Å; G428-A431 PolarHBondContact O-N 2.62Å; G428-L432 PolarHBondContact O-N 2.81Å
429	I	98.9	Very high	97.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-67.4	-39	178.9	-66.7	177.1	0	0	0	111.9	M184 V186 I267 M425 V426 A431 L432 A433 V481 A483 L486	M184-I429 HydrophobicContact CE-CD1 3.43Å; M184-I429 VanDerWaalsContact CE-CD1 3.43Å; V186-I429 HydrophobicContact CG2-CD1 4.14Å; V186-I429 HydrophobicContact CG2-CG1 4.25Å; I267-I429 HydrophobicContact CG2-CG1 3.74Å; M425-I429 WeakPolarHBondContact O-CG1 3.48Å; M425-I429 PolarHBondContact O-N 3.02Å; M425-I429 VanDerWaalsContact O-N 3.09Å; V426-I429 PolarHBondContact O-N 3.25Å; V426-I429 VanDerWaalsContact O-N 3.13Å; I429-A431 VanDerWaalsContact C-N 3.27Å; I429-A431 PolarHBondContact O-N 3.44Å; I429-L432 WeakPolarHBondContact O-CB 3.32Å; I429-L432 PolarHBondContact O-N 3.04Å; I429-L432 VanDerWaalsContact O-N 3.12Å; I429-A433 PolarHBondContact O-N 2.64Å; I429-V481 HydrophobicContact CB-CG1 4.4Å; I429-V481 HydrophobicContact CD1-CB 4.34Å; I429-V481 HydrophobicContact CD1-CG1 3.87Å; I429-V481 HydrophobicContact CG2-CG1 3.8Å; I429-A483 HydrophobicContact CB-CB 4.47Å; I429-A483 HydrophobicContact CD1-CB 4.03Å; I429-A483 HydrophobicContact CG1-CB 4Å; I429-A483 HydrophobicContact CG2-CB 3.71Å; I429-L486 HydrophobicContact CG2-CD2 3.66Å
430	I	98.9	Very high	97.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.2	-36.2	174.8	-65.4	165.6	0	0	0	110.2	I301 I340 V342 I367 V426 A427 L432 A433 L434 V445 L449	I301-I430 HydrophobicContact CD1-CB 3.91Å; I301-I430 HydrophobicContact CD1-CG2 3.63Å; I301-I430 HydrophobicContact CG1-CG2 4.23Å; I340-I430 HydrophobicContact CD1-CG2 4.21Å; I340-I430 HydrophobicContact CG2-CD1 4.23Å; I340-I430 HydrophobicContact CG2-CG2 4.43Å; V342-I430 HydrophobicContact CG2-CD1 3.81Å; I367-I430 HydrophobicContact CD1-CD1 3.81Å; V426-I430 HydrophobicContact CG1-CD1 3.55Å; V426-I430 HydrophobicContact CG1-CG1 4.07Å; V426-I430 VanDerWaalsContact O-CG1 3.27Å; V426-I430 WeakPolarHBondContact O-CG1 3.46Å; V426-I430 PolarHBondContact O-N 2.98Å; A427-I430 PolarHBondContact O-N 3.19Å; I430-L432 VanDerWaalsContact C-N 3.29Å; I430-L432 PolarHBondContact O-N 2.99Å; I430-A433 CarbonylContact O-C 3.52Å; I430-A433 WeakPolarHBondContact O-CA 3.28Å; I430-A433 WeakPolarHBondContact O-CB 3.44Å; I430-A433 PolarHBondContact O-N 2.86Å; I430-L434 HydrophobicContact CG2-CD1 4.36Å; I430-L434 HydrophobicContact CG2-CG 4.22Å; I430-L434 PolarHBondContact O-N 2.89Å; I430-V445 HydrophobicContact CB-CG1 4.39Å; I430-V445 HydrophobicContact CD1-CG1 3.71Å; I430-V445 HydrophobicContact CG1-CG1 3.73Å; I430-V445 HydrophobicContact CG2-CG1 3.72Å; I430-V445 HydrophobicContact CG2-CG2 4.27Å; I430-L449 HydrophobicContact CD1-CD1 4.3Å
431	A	98.9	Very high	98.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62	-34.2	173.8	0	0	0	0	0	112.9	V199 V201 A268 I301 A427 G428 I429 A433 L434 E435	V199-A431 HydrophobicContact CB-CB 4.15Å; V199-A431 HydrophobicContact CG1-CB 3.84Å; V199-A431 WeakPolarHBondContact CG2-O 3.09Å; V201-A431 HydrophobicContact CG2-CB 4.18Å; A268-A431 HydrophobicContact CB-CB 3.88Å; I301-A431 HydrophobicContact CD1-CB 3.98Å; A427-A431 PolarHBondContact O-N 2.99Å; G428-A431 WeakPolarHBondContact O-CB 3.41Å; G428-A431 PolarHBondContact O-N 2.62Å; I429-A431 VanDerWaalsContact C-N 3.27Å; I429-A431 PolarHBondContact O-N 3.44Å; A431-A433 VanDerWaalsContact C-N 3.33Å; A431-L434 PolarHBondContact O-N 2.91Å; A431-E435 PolarHBondContact O-N 2.75Å; A431-E435 VanDerWaalsContact O-N 3.09Å
432	L	98.9	Very high	98.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-64.2	-38.8	171.1	-52.9	-173.7	0	0	0	111.7	V186 A189 T195 G196 I267 A268 G428 I429 I430 A436 A483 V487	V186-L432 HydrophobicContact CG1-CD1 4.41Å; A189-L432 HydrophobicContact CB-CD1 3.82Å; T195-L432 VanDerWaalsContact C-CD2 3.45Å; G196-L432 VanDerWaalsContact N-CD2 3.32Å; I267-L432 HydrophobicContact CG2-CD1 4.19Å; A268-L432 HydrophobicContact CB-CD2 4.22Å; G428-L432 PolarHBondContact O-N 2.81Å; I429-L432 WeakPolarHBondContact O-CB 3.32Å; I429-L432 PolarHBondContact O-N 3.04Å; I429-L432 VanDerWaalsContact O-N 3.12Å; I430-L432 VanDerWaalsContact C-N 3.29Å; I430-L432 PolarHBondContact O-N 2.99Å; L432-A436 PolarHBondContact O-N 3.49Å; L432-A483 HydrophobicContact CD1-CB 4.49Å; L432-V487 HydrophobicContact CB-CG2 3.7Å
433	A	98.8	Very high	98.6	Very high	2 Å²	2	17.4 Å²	17.4	2%	0.017	9%	0.093	C	C	.	.	H	α-helix	trans	-72.3	-34.2	177.8	0	0	0	0	0	113.2	I429 I430 A431 A436 N437 L486 A490	I429-A433 PolarHBondContact O-N 2.64Å; I430-A433 CarbonylContact O-C 3.52Å; I430-A433 WeakPolarHBondContact O-CA 3.28Å; I430-A433 WeakPolarHBondContact O-CB 3.44Å; I430-A433 PolarHBondContact O-N 2.86Å; A431-A433 VanDerWaalsContact C-N 3.33Å; A433-A436 CarbonylContact O-C 3.41Å; A433-A436 WeakPolarHBondContact O-CA 3.31Å; A433-A436 WeakPolarHBondContact O-CB 3.49Å; A433-A436 PolarHBondContact O-N 2.75Å; A433-A436 VanDerWaalsContact O-N 3.17Å; A433-N437 PolarHBondContact O-N 3.15Å; A433-L486 HydrophobicContact CB-CD2 3.76Å; A433-L486 HydrophobicContact CB-CG 4.01Å; A433-A490 HydrophobicContact CB-CB 4.1Å
434	L	98.9	Very high	98.6	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.021	9%	0.093	C	C	.	.	H	α-helix	trans	-71.4	-31.5	174.2	-70	-175.8	0	0	0	112.9	V199 D300 I301 I340 I430 A431 A436 N437 S438 L440	V199-L434 HydrophobicContact CG1-CB 4.22Å; V199-L434 HydrophobicContact CG1-CD1 3.93Å; V199-L434 HydrophobicContact CG2-CB 3.73Å; D300-L434 HydrophobicContact CB-CD1 3.75Å; I301-L434 HydrophobicContact CD1-CD1 3.9Å; I301-L434 HydrophobicContact CG1-CD1 3.92Å; I340-L434 HydrophobicContact CD1-CD1 3.82Å; I340-L434 HydrophobicContact CD1-CD2 4.18Å; I340-L434 HydrophobicContact CD1-CG 4.42Å; I430-L434 HydrophobicContact CG2-CD1 4.36Å; I430-L434 HydrophobicContact CG2-CG 4.22Å; I430-L434 PolarHBondContact O-N 2.89Å; A431-L434 PolarHBondContact O-N 2.91Å; L434-A436 VanDerWaalsContact C-N 3.28Å; L434-N437 CarbonylContact O-C 3.56Å; L434-N437 PolarHBondContact O-N 2.8Å; L434-S438 VanDerWaalsContact O-CA 3.32Å; L434-S438 WeakPolarHBondContact O-CA 3.46Å; L434-S438 PolarHBondContact O-N 3.13Å; L434-S438 VanDerWaalsContact O-N 3.08Å; L434-L440 HydrophobicContact CD2-CB 4.09Å; L434-L440 HydrophobicContact CD2-CD1 4.32Å
435	E	98.8	Very high	98.7	Very high	53 Å²	53	17.6 Å²	17.6	25%	0.248	9%	0.094	C	C	.	.	H	α-helix	trans	-65.4	-34.4	167.1	-174.9	-177.6	-179.7	0	0	111.2	Y194 T195 G196 K197 V199 A431	Y194-E435 HydrophobicContact CD1-CB 4.2Å; Y194-E435 HydrophobicContact CD1-CG 3.97Å; T195-E435 PolarHBondContact N-OE2 3.4Å; G196-E435 PolarHBondContact N-OE2 3.46Å; K197-E435 HydrophobicContact CB-CG 4.35Å; K197-E435 VanDerWaalsContact CB-OE1 3.27Å; K197-E435 WeakPolarHBondContact CB-OE1 3.41Å; K197-E435 VanDerWaalsContact N-CD 3.31Å; K197-E435 PolarHBondContact N-OE2 2.89Å; V199-E435 HydrophobicContact CG2-CB 4.43Å; A431-E435 PolarHBondContact O-N 2.75Å; A431-E435 VanDerWaalsContact O-N 3.09Å
436	A	98.4	Very high	98.7	Very high	17 Å²	17	17.8 Å²	17.8	14%	0.14	10%	0.095	C	C	.	.	H	α-helix	trans	-73.3	-32.6	176.2	0	0	0	0	0	113.8	Y194 L432 A433 L434 V487 A490	Y194-A436 HydrophobicContact CD1-CB 3.89Å; Y194-A436 VanDerWaalsContact CE1-CA 3.41Å; Y194-A436 HydrophobicContact CE1-CB 3.59Å; Y194-A436 HydrophobicContact CG-CB 4.5Å; L432-A436 PolarHBondContact O-N 3.49Å; A433-A436 CarbonylContact O-C 3.41Å; A433-A436 WeakPolarHBondContact O-CA 3.31Å; A433-A436 WeakPolarHBondContact O-CB 3.49Å; A433-A436 PolarHBondContact O-N 2.75Å; A433-A436 VanDerWaalsContact O-N 3.17Å; L434-A436 VanDerWaalsContact C-N 3.28Å; A436-V487 HydrophobicContact CB-CG1 4.06Å; A436-A490 HydrophobicContact CB-CB 4.38Å
437	N	98.4	Very high	98.7	Very high	32 Å²	32	17.8 Å²	17.8	17%	0.171	10%	0.095	C	C	.	.			trans	-155.4	103.4	173.8	-176.2	-4.6	0	0	0	110.7	A433 L434 Q439 L440 A490	A433-N437 PolarHBondContact O-N 3.15Å; L434-N437 CarbonylContact O-C 3.56Å; L434-N437 PolarHBondContact O-N 2.8Å; N437-Q439 PolarHBondContact O-N 2.98Å; N437-Q439 WeakPolarHBondContact OD1-CB 3.35Å; N437-Q439 PolarHBondContact OD1-N 3.23Å; N437-L440 HydrophobicContact CB-CD1 4.29Å; N437-L440 HydrophobicContact CB-CD2 4.41Å; N437-L440 HydrophobicContact CB-CG 4.02Å; N437-L440 WeakPolarHBondContact O-CG 3.31Å; N437-A490 HydrophobicContact CB-CB 4.43Å; N437-A490 VanDerWaalsContact CB-O 3.3Å; N437-A490 WeakPolarHBondContact CB-O 3.21Å; N437-A490 PolarHBondContact ND2-O 3.38Å
438	S	97.6	Very high	98.7	Very high	64 Å²	64	17.8 Å²	17.8	45%	0.448	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-15.6	-179.2	64.7	0	0	0	0	113.8	R334 L337 L434 L440	R334-S438 PolarHBondContact NH2-O 3.24Å; L337-S438 VanDerWaalsContact CD1-O 3.29Å; L337-S438 WeakPolarHBondContact CD1-O 3.44Å; L434-S438 VanDerWaalsContact O-CA 3.32Å; L434-S438 WeakPolarHBondContact O-CA 3.46Å; L434-S438 PolarHBondContact O-N 3.13Å; L434-S438 VanDerWaalsContact O-N 3.08Å; S438-L440 VanDerWaalsContact C-N 3.31Å; S438-L440 PolarHBondContact O-N 3.04Å
439	Q	97.9	Very high	98.7	Very high	125 Å²	125	17.8 Å²	17.8	58%	0.584	10%	0.095	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	1.7	-175.3	-52.9	-58.8	-82.1	0	0	113.6	L337 N437 T441	L337-Q439 WeakPolarHBondContact CD2-O 3.35Å; N437-Q439 PolarHBondContact O-N 2.98Å; N437-Q439 WeakPolarHBondContact OD1-CB 3.35Å; N437-Q439 PolarHBondContact OD1-N 3.23Å; Q439-T441 PolarHBondContact O-N 2.85Å
440	L	98.6	Very high	98.6	Very high	2 Å²	2	18 Å²	18	1%	0.01	10%	0.096	C	C	.	.			trans	-62.7	129.8	173.1	-61.7	174	0	0	0	110.2	R334 L434 N437 S438 D444 V445 L448 A490 W493	R334-L440 PolarHBondContact NH1-O 3.2Å; L434-L440 HydrophobicContact CD2-CB 4.09Å; L434-L440 HydrophobicContact CD2-CD1 4.32Å; N437-L440 HydrophobicContact CB-CD1 4.29Å; N437-L440 HydrophobicContact CB-CD2 4.41Å; N437-L440 HydrophobicContact CB-CG 4.02Å; N437-L440 WeakPolarHBondContact O-CG 3.31Å; S438-L440 VanDerWaalsContact C-N 3.31Å; S438-L440 PolarHBondContact O-N 3.04Å; L440-D444 HydrophobicContact CB-CB 4.1Å; L440-D444 HydrophobicContact CD2-CB 3.89Å; L440-V445 HydrophobicContact CB-CG2 4.14Å; L440-V445 HydrophobicContact CD1-CG2 4.44Å; L440-L448 HydrophobicContact CD1-CD1 3.55Å; L440-L448 HydrophobicContact CD2-CD1 3.66Å; L440-L448 HydrophobicContact CG-CD1 4.23Å; L440-A490 HydrophobicContact CD1-CB 3.91Å; L440-W493 HydrophobicContact CD2-CB 3.8Å; L440-W493 VanDerWaalsContact CD2-CD1 3.49Å; L440-W493 HydrophobicContact CD2-CG 3.77Å
441	T	98.8	Very high	98.5	Very high	29 Å²	29	21.9 Å²	21.9	18%	0.178	11%	0.113	C	C	.	.			trans	-77.8	166.6	168.1	68.1	0	0	0	0	111.6	L337 Q439 R443 D444 V445	L337-T441 HydrophobicContact CD2-CG2 4.02Å; L337-T441 CarbonylContact O-C 3.54Å; L337-T441 WeakPolarHBondContact O-CA 3.07Å; L337-T441 VanDerWaalsContact O-CB 3.32Å; L337-T441 WeakPolarHBondContact O-CB 3.33Å; Q439-T441 PolarHBondContact O-N 2.85Å; T441-R443 PolarHBondContact O-N 3.06Å; T441-D444 VanDerWaalsContact CB-OD2 3.29Å; T441-D444 WeakPolarHBondContact CB-OD2 3.28Å; T441-D444 WeakPolarHBondContact CG2-OD2 3.4Å; T441-D444 PolarHBondContact N-OD2 2.96Å; T441-D444 WeakPolarHBondContact O-CB 3.2Å; T441-D444 PolarHBondContact O-N 2.99Å; T441-D444 PolarHBondContact OG1-N 2.86Å; T441-D444 PolarHBondContact OG1-OD2 2.94Å; T441-V445 PolarHBondContact O-N 2.8Å; T441-V445 VanDerWaalsContact O-N 3.11Å
442	W	98.8	Very high	98.5	Very high	20 Å²	20	22.7 Å²	22.7	8%	0.076	12%	0.118	C	C	.	.	H	α-helix	trans	-53.6	-35.7	173.3	70.3	-84.6	0	0	0	113.1	I330 L337 I340 I364 Y365 Q446	I330-W442 HydrophobicContact CB-CD2 4.07Å; I330-W442 HydrophobicContact CB-CG 4.16Å; I330-W442 HydrophobicContact CB-CZ2 4.39Å; I330-W442 HydrophobicContact CD1-CZ2 3.77Å; I330-W442 HydrophobicContact CG2-CD2 4.05Å; I330-W442 HydrophobicContact CG2-CE3 4.42Å; I330-W442 HydrophobicContact CG2-CG 4.19Å; I330-W442 PolarHBondContact O-NE1 3.22Å; L337-W442 PolarHBondContact O-N 2.89Å; I340-W442 HydrophobicContact CG1-CB 4.32Å; I364-W442 WeakPolarHBondContact O-CZ3 3.28Å; Y365-W442 HydrophobicContact CD1-CH2 4.17Å; W442-Q446 PolarHBondContact O-N 2.97Å
443	R	98.6	Very high	98.5	Very high	17 Å²	17	23.3 Å²	23.3	6%	0.064	12%	0.123	C	C	.	.	H	α-helix	trans	-72.5	-40.1	173.8	-81.3	166.3	63.4	-121.7	6.8	113	T441 V445 Q446 H447 V496 P497 E540 T632	T441-R443 PolarHBondContact O-N 3.06Å; R443-V445 PolarHBondContact O-N 2.95Å; R443-Q446 PolarHBondContact O-N 2.8Å; R443-Q446 VanDerWaalsContact O-N 3.08Å; R443-H447 PolarHBondContact O-CD2 3.46Å; R443-H447 PolarHBondContact O-N 2.87Å; R443-V496 HydrophobicContact CB-CG2 4.25Å; R443-P497 VanDerWaalsContact CZ-O 3.31Å; R443-P497 PolarHBondContact NH1-O 2.9Å; R443-P497 PolarHBondContact NH2-O 3.12Å; R443-E540 IonicContact CZ-OE1 2.71Å; R443-E540 IonicContact CZ-OE2 3.97Å; R443-E540 IonicContact NE-OE1 3.59Å; R443-E540 PolarHBondContact NE-OE1 3.41Å; R443-E540 IonicContact NE-OE2 3.33Å; R443-E540 PolarHBondContact NE-OE2 3.21Å; R443-E540 IonicContact NH2-OE1 2.75Å; R443-E540 PolarHBondContact NH2-OE1 3.26Å; R443-E540 IonicContact NH2-OE2 3.46Å; R443-T632 VanDerWaalsContact NH2-CG2 3.29Å
444	D	98.8	Very high	98.3	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-59.6	-39.1	177.1	-65.6	-55.5	0	0	0	111.4	L440 T441 H447 L448 W493 A495 V496	L440-D444 HydrophobicContact CB-CB 4.1Å; L440-D444 HydrophobicContact CD2-CB 3.89Å; T441-D444 VanDerWaalsContact CB-OD2 3.29Å; T441-D444 WeakPolarHBondContact CB-OD2 3.28Å; T441-D444 WeakPolarHBondContact CG2-OD2 3.4Å; T441-D444 PolarHBondContact N-OD2 2.96Å; T441-D444 WeakPolarHBondContact O-CB 3.2Å; T441-D444 PolarHBondContact O-N 2.99Å; T441-D444 PolarHBondContact OG1-N 2.86Å; T441-D444 PolarHBondContact OG1-OD2 2.94Å; D444-H447 PolarHBondContact O-N 2.83Å; D444-L448 VanDerWaalsContact O-CB 3.27Å; D444-L448 WeakPolarHBondContact O-CB 3.12Å; D444-L448 WeakPolarHBondContact O-CD1 3.41Å; D444-L448 VanDerWaalsContact O-CG 3.25Å; D444-L448 WeakPolarHBondContact O-CG 3.49Å; D444-L448 PolarHBondContact O-N 3.28Å; D444-W493 VanDerWaalsContact CG-NE1 3.34Å; D444-W493 PolarHBondContact OD1-NE1 3.24Å; D444-A495 WeakPolarHBondContact OD1-CA 3.17Å; D444-V496 PolarHBondContact OD1-N 3.14Å
445	V	98.9	Very high	98.1	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.018	15%	0.147	C	C	.	.	H	α-helix	trans	-62.6	-42	173.9	178.9	0	0	0	0	111.7	I340 I367 I430 L440 T441 R443 L448 L449	I340-V445 HydrophobicContact CD1-CG2 3.81Å; I340-V445 HydrophobicContact CG1-CG2 4.38Å; I367-V445 HydrophobicContact CD1-CG1 3.85Å; I430-V445 HydrophobicContact CB-CG1 4.39Å; I430-V445 HydrophobicContact CD1-CG1 3.71Å; I430-V445 HydrophobicContact CG1-CG1 3.73Å; I430-V445 HydrophobicContact CG2-CG1 3.72Å; I430-V445 HydrophobicContact CG2-CG2 4.27Å; L440-V445 HydrophobicContact CB-CG2 4.14Å; L440-V445 HydrophobicContact CD1-CG2 4.44Å; T441-V445 PolarHBondContact O-N 2.8Å; T441-V445 VanDerWaalsContact O-N 3.11Å; R443-V445 PolarHBondContact O-N 2.95Å; V445-L448 PolarHBondContact O-N 3.45Å; V445-L449 HydrophobicContact CG1-CD1 4.25Å; V445-L449 WeakPolarHBondContact O-CG 3.45Å; V445-L449 PolarHBondContact O-N 2.78Å
446	Q	98.9	Very high	97.6	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.019	15%	0.153	C	C	.	.	H	α-helix	trans	-63.7	-49.7	174.3	-68.2	-175.2	7.1	0	0	111.6	I364 T366 I367 L389 W442 R443 L448 L449 V450 H541 W594	I364-Q446 PolarHBondContact O-NE2 3.37Å; I364-Q446 VanDerWaalsContact O-NE2 3.16Å; T366-Q446 PolarHBondContact O-NE2 2.77Å; I367-Q446 HydrophobicContact CD1-CG 4.16Å; I367-Q446 HydrophobicContact CG1-CG 3.89Å; L389-Q446 HydrophobicContact CD2-CB 4Å; L389-Q446 HydrophobicContact CD2-CG 3.97Å; W442-Q446 PolarHBondContact O-N 2.97Å; R443-Q446 PolarHBondContact O-N 2.8Å; R443-Q446 VanDerWaalsContact O-N 3.08Å; Q446-L448 VanDerWaalsContact C-N 3.3Å; Q446-L448 PolarHBondContact O-N 3.36Å; Q446-L449 PolarHBondContact O-N 3.38Å; Q446-L449 VanDerWaalsContact O-N 3.14Å; Q446-V450 WeakPolarHBondContact O-CG2 3.07Å; Q446-V450 PolarHBondContact O-N 2.93Å; Q446-H541 PolarHBondContact OE1-CE1 2.88Å; Q446-H541 VanDerWaalsContact OE1-CE1 3.26Å; Q446-H541 PolarHBondContact OE1-NE2 3.04Å; Q446-W594 HydrophobicContact CB-CH2 3.73Å; Q446-W594 HydrophobicContact CB-CZ2 4.19Å
447	H	98.8	Very high	97.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-57.2	-40.6	175.7	-85.1	-87.7	0	0	0	113	R443 D444 V450 K451 W493 V496 E540 W594 Y637	R443-H447 PolarHBondContact O-CD2 3.46Å; R443-H447 PolarHBondContact O-N 2.87Å; D444-H447 PolarHBondContact O-N 2.83Å; H447-V450 PolarHBondContact O-N 2.69Å; H447-K451 VanDerWaalsContact O-CB 3.26Å; H447-K451 WeakPolarHBondContact O-CB 3.46Å; H447-K451 PolarHBondContact O-N 2.92Å; H447-W493 HydrophobicContact CB-CH2 3.88Å; H447-W493 HydrophobicContact CB-CZ2 3.58Å; H447-V496 HydrophobicContact CB-CG1 4.42Å; H447-E540 IonicContact NE2-OE1 3.73Å; H447-W594 AromaticContact CD2-CZ2 3.72Å; H447-W594 AromaticContact CE1-CE2 3.94Å; H447-W594 AromaticContact CE1-CZ2 3.99Å; H447-W594 AromaticContact CE1-NE1 3.33Å; H447-W594 PolarHBondContact CE1-NE1 3.37Å; H447-W594 VanDerWaalsContact CE1-NE1 3.33Å; H447-W594 AromaticContact CG-CZ2 3.87Å; H447-W594 AromaticContact CG-NE1 3.85Å; H447-W594 AromaticContact ND1-CE2 3.94Å; H447-W594 AromaticContact ND1-NE1 3.2Å; H447-W594 PolarHBondContact ND1-NE1 2.91Å; H447-W594 VanDerWaalsContact ND1-NE1 3.2Å; H447-W594 AromaticContact NE2-CZ2 3.81Å; H447-Y637 HydrophobicContact CB-CE1 4.33Å; H447-Y637 AromaticContact ND1-CE1 3.58Å; H447-Y637 AromaticContact ND1-CZ 3.62Å; H447-Y637 PolarHBondContact ND1-OH 3.5Å
448	L	98.7	Very high	97.1	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-61.3	-48.1	175.1	-81.8	165.7	0	0	0	110.8	L440 D444 V445 Q446 V450 K451 T452 L486 E489 A490 W493	L440-L448 HydrophobicContact CD1-CD1 3.55Å; L440-L448 HydrophobicContact CD2-CD1 3.66Å; L440-L448 HydrophobicContact CG-CD1 4.23Å; D444-L448 VanDerWaalsContact O-CB 3.27Å; D444-L448 WeakPolarHBondContact O-CB 3.12Å; D444-L448 WeakPolarHBondContact O-CD1 3.41Å; D444-L448 VanDerWaalsContact O-CG 3.25Å; D444-L448 WeakPolarHBondContact O-CG 3.49Å; D444-L448 PolarHBondContact O-N 3.28Å; V445-L448 PolarHBondContact O-N 3.45Å; Q446-L448 VanDerWaalsContact C-N 3.3Å; Q446-L448 PolarHBondContact O-N 3.36Å; L448-V450 PolarHBondContact O-N 3.36Å; L448-K451 PolarHBondContact O-N 3.22Å; L448-K451 VanDerWaalsContact O-N 3.09Å; L448-T452 PolarHBondContact O-N 3.26Å; L448-T452 PolarHBondContact O-OG1 3.37Å; L448-T452 VanDerWaalsContact O-OG1 3.1Å; L448-L486 HydrophobicContact CB-CD1 3.66Å; L448-E489 HydrophobicContact CD2-CB 3.65Å; L448-E489 HydrophobicContact CD2-CG 3.56Å; L448-A490 HydrophobicContact CD1-CB 4.07Å; L448-W493 HydrophobicContact CD1-CD2 4.37Å; L448-W493 HydrophobicContact CD1-CG 4.42Å; L448-W493 HydrophobicContact CD2-CD2 3.88Å; L448-W493 HydrophobicContact CD2-CE3 3.37Å; L448-W493 HydrophobicContact CD2-CG 4.5Å; L448-W493 HydrophobicContact CD2-CH2 4.3Å; L448-W493 HydrophobicContact CD2-CZ3 3.59Å; L448-W493 HydrophobicContact CG-CD2 3.94Å; L448-W493 HydrophobicContact CG-CE3 3.88Å; L448-W493 HydrophobicContact CG-CG 4.5Å; L448-W493 HydrophobicContact CG-CH2 4.24Å; L448-W493 HydrophobicContact CG-CZ2 4.36Å; L448-W493 HydrophobicContact CG-CZ3 4.01Å
449	L	98.8	Very high	96.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60	-42.8	176.2	-72.3	166.5	0	0	0	112.4	I367 L389 V426 I430 V445 Q446 K451 S453 V481 L486	I367-L449 HydrophobicContact CD1-CD1 4.03Å; I367-L449 HydrophobicContact CG2-CD1 3.76Å; L389-L449 HydrophobicContact CD2-CB 3.99Å; L389-L449 HydrophobicContact CD2-CD1 3.98Å; V426-L449 HydrophobicContact CG1-CD1 4.47Å; I430-L449 HydrophobicContact CD1-CD1 4.3Å; V445-L449 HydrophobicContact CG1-CD1 4.25Å; V445-L449 WeakPolarHBondContact O-CG 3.45Å; V445-L449 PolarHBondContact O-N 2.78Å; Q446-L449 PolarHBondContact O-N 3.38Å; Q446-L449 VanDerWaalsContact O-N 3.14Å; L449-K451 PolarHBondContact O-N 3.41Å; L449-S453 WeakPolarHBondContact O-CB 3.37Å; L449-S453 PolarHBondContact O-N 3.49Å; L449-S453 PolarHBondContact O-OG 3.15Å; L449-V481 HydrophobicContact CD2-CG1 3.86Å; L449-V481 HydrophobicContact CD2-CG2 3.85Å; L449-L486 HydrophobicContact CD2-CD1 3.98Å; L449-L486 HydrophobicContact CD2-CD2 4.35Å; L449-L486 HydrophobicContact CG-CD1 4.16Å
450	V	98.5	Very high	96.8	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.018	13%	0.13	C	C	.	.	H	α-helix	trans	-62.3	-31.3	175.1	175.3	0	0	0	0	112.4	L389 Q446 H447 L448 H470 F478 W594	L389-V450 HydrophobicContact CD1-CG2 3.65Å; L389-V450 HydrophobicContact CG-CG2 4.26Å; Q446-V450 WeakPolarHBondContact O-CG2 3.07Å; Q446-V450 PolarHBondContact O-N 2.93Å; H447-V450 PolarHBondContact O-N 2.69Å; L448-V450 PolarHBondContact O-N 3.36Å; V450-H470 PolarHBondContact O-ND1 3.21Å; V450-F478 HydrophobicContact CB-CD2 4.16Å; V450-F478 HydrophobicContact CB-CE2 4.28Å; V450-F478 HydrophobicContact CB-CG 4.45Å; V450-F478 HydrophobicContact CG1-CD1 4.06Å; V450-F478 HydrophobicContact CG1-CD2 4.05Å; V450-F478 HydrophobicContact CG1-CE1 3.92Å; V450-F478 HydrophobicContact CG1-CE2 3.92Å; V450-F478 HydrophobicContact CG1-CG 4.12Å; V450-F478 HydrophobicContact CG1-CZ 3.84Å; V450-F478 HydrophobicContact CG2-CD2 3.66Å; V450-F478 HydrophobicContact CG2-CE2 3.58Å; V450-F478 HydrophobicContact CG2-CG 4.42Å; V450-F478 HydrophobicContact CG2-CZ 4.29Å; V450-W594 HydrophobicContact CG1-CB 4.23Å; V450-W594 HydrophobicContact CG1-CG 3.95Å; V450-W594 HydrophobicContact CG2-CD2 3.87Å; V450-W594 HydrophobicContact CG2-CE3 4.22Å; V450-W594 HydrophobicContact CG2-CG 4.13Å; V450-W594 HydrophobicContact CG2-CZ2 4.47Å
451	K	96.9	Very high	96.6	Very high	83 Å²	83	30.7 Å²	30.7	36%	0.361	17%	0.168	S	C	.	.	H	α-helix	trans	-88	-30.5	-176.4	-167.1	-177.5	-172.6	-177.9	0	113.7	H447 L448 L449 E489 W493	H447-K451 VanDerWaalsContact O-CB 3.26Å; H447-K451 WeakPolarHBondContact O-CB 3.46Å; H447-K451 PolarHBondContact O-N 2.92Å; L448-K451 PolarHBondContact O-N 3.22Å; L448-K451 VanDerWaalsContact O-N 3.09Å; L449-K451 PolarHBondContact O-N 3.41Å; K451-E489 HydrophobicContact CD-CG 4.1Å; K451-E489 WeakPolarHBondContact CE-OE1 3.17Å; K451-E489 IonicContact NZ-OE1 3.13Å; K451-E489 PolarHBondContact NZ-OE1 3.32Å; K451-W493 HydrophobicContact CD-CH2 4.1Å; K451-W493 HydrophobicContact CD-CZ3 3.69Å
452	T	98.1	Very high	96.5	Very high	16 Å²	16	30.4 Å²	30.4	10%	0.098	17%	0.166	C	C	.	.	H	α-helix	trans	-113	-13.7	-173.1	70.9	0	0	0	0	114.8	L448 A485 L486 E489	L448-T452 PolarHBondContact O-N 3.26Å; L448-T452 PolarHBondContact O-OG1 3.37Å; L448-T452 VanDerWaalsContact O-OG1 3.1Å; T452-A485 HydrophobicContact CG2-CB 4.18Å; T452-L486 VanDerWaalsContact OG1-CD1 3.26Å; T452-L486 WeakPolarHBondContact OG1-CD1 3.45Å; T452-E489 HydrophobicContact CG2-CB 3.85Å; T452-E489 HydrophobicContact CG2-CG 4.18Å
453	S	98.2	Very high	96.4	Very high	14 Å²	14	32.3 Å²	32.3	10%	0.098	17%	0.173	C	C	.	.			trans	-67.1	150.2	169	-56	0	0	0	0	110.4	L449 F478 L480	L449-S453 WeakPolarHBondContact O-CB 3.37Å; L449-S453 PolarHBondContact O-N 3.49Å; L449-S453 PolarHBondContact O-OG 3.15Å; S453-F478 CarbonylContact C-O 3.55Å; S453-L480 WeakPolarHBondContact CA-O 3.45Å
454	R	95	Very high	96.3	Very high	81 Å²	81	36.5 Å²	36.5	31%	0.306	19%	0.192	S	C	.	.	B	Isolated β-bridge	trans	-137.8	139.7	-172.8	48.4	172.5	-174.5	177.5	-5	112.3	E183 N185 A456 G479 L480 D482	E183-R454 PolarHBondContact O-NE 2.7Å; E183-R454 PolarHBondContact O-NH2 3.08Å; N185-R454 PolarHBondContact ND2-NH2 3.09Å; N185-R454 PolarHBondContact OD1-NH2 2.76Å; R454-A456 HydrophobicContact CG-CB 4.19Å; R454-A456 WeakPolarHBondContact O-CB 3.33Å; R454-A456 PolarHBondContact O-N 2.86Å; R454-G479 CarbonylContact O-C 3.47Å; R454-L480 PolarHBondContact N-O 2.71Å; R454-L480 PolarHBondContact O-N 2.9Å; R454-D482 HydrophobicContact CG-CB 4.46Å; R454-D482 IonicContact CZ-OD2 2.95Å; R454-D482 IonicContact NE-OD2 3.22Å; R454-D482 PolarHBondContact NE-OD2 2.68Å; R454-D482 VanDerWaalsContact NE-OD2 3.12Å; R454-D482 IonicContact NH1-OD2 3.99Å; R454-D482 IonicContact NH2-OD2 3.84Å; R454-D482 PolarHBondContact NH2-OD2 2.98Å
455	P	94	Very high	96.3	Very high	36 Å²	36	40.8 Å²	40.8	23%	0.234	22%	0.218	C	C	.	.			trans	-56	-23.9	170.8	-29.2	36.4	0	0	0	114.2	H457 L458 W463 K471	P455-H457 PolarHBondContact O-N 2.98Å; P455-L458 WeakPolarHBondContact O-CA 3.38Å; P455-L458 WeakPolarHBondContact O-CB 3.48Å; P455-L458 WeakPolarHBondContact O-CG 3.34Å; P455-L458 PolarHBondContact O-N 3.19Å; P455-W463 HydrophobicContact CB-CD2 4.43Å; P455-W463 HydrophobicContact CB-CH2 3.87Å; P455-W463 HydrophobicContact CB-CZ2 3.64Å; P455-W463 HydrophobicContact CB-CZ3 4.32Å; P455-W463 HydrophobicContact CG-CE3 4.29Å; P455-W463 HydrophobicContact CG-CH2 3.85Å; P455-W463 HydrophobicContact CG-CZ2 4.13Å; P455-W463 HydrophobicContact CG-CZ3 3.91Å; P455-K471 HydrophobicContact CG-CB 3.74Å; P455-K471 HydrophobicContact CG-CD 3.93Å; P455-K471 HydrophobicContact CG-CG 4.48Å
456	A	90.1	Very high	96.3	Very high	46 Å²	46	41 Å²	41	38%	0.38	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	-133.3	168.9	0	0	0	0	0	112.3	E183 R454 L480	E183-A456 HydrophobicContact CB-CB 4.49Å; E183-A456 WeakPolarHBondContact OE2-CB 3.5Å; R454-A456 HydrophobicContact CG-CB 4.19Å; R454-A456 WeakPolarHBondContact O-CB 3.33Å; R454-A456 PolarHBondContact O-N 2.86Å; A456-L480 HydrophobicContact CB-CB 4.09Å; A456-L480 HydrophobicContact CB-CD2 4.19Å
457	H	89.6	Confident	96.2	Very high	51 Å²	51	43.1 Å²	43.1	24%	0.236	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	8.3	169	67.7	-70.2	0	0	0	114	E183 G376 Y393 P455	E183-H457 IonicContact OE2-CE1 2.7Å; E183-H457 IonicContact OE2-CG 3.15Å; E183-H457 PolarHBondContact OE2-N 3.03Å; E183-H457 VanDerWaalsContact OE2-N 3.15Å; E183-H457 IonicContact OE2-ND1 2.67Å; E183-H457 PolarHBondContact OE2-ND1 3.06Å; G376-H457 VanDerWaalsContact CA-CD2 3.49Å; G376-H457 WeakPolarHBondContact CA-CD2 3.18Å; G376-H457 WeakPolarHBondContact CA-NE2 3.33Å; Y393-H457 AromaticContact CE1-CE1 3.58Å; Y393-H457 AromaticContact CE1-NE2 3.61Å; Y393-H457 AromaticContact CZ-CE1 3.67Å; Y393-H457 PolarHBondContact OH-CE1 3.15Å; P455-H457 PolarHBondContact O-N 2.98Å
458	L	94.7	Very high	96.1	Very high	10 Å²	10	45.2 Å²	45.2	5%	0.052	26%	0.259	C	S	.	.			trans	-74.2	130.5	-173.3	-56.2	-173.2	0	0	0	112.9	A372 T391 P455 W463 Y476 L480	A372-L458 HydrophobicContact CB-CD2 3.39Å; T391-L458 HydrophobicContact CG2-CD1 4.05Å; P455-L458 WeakPolarHBondContact O-CA 3.38Å; P455-L458 WeakPolarHBondContact O-CB 3.48Å; P455-L458 WeakPolarHBondContact O-CG 3.34Å; P455-L458 PolarHBondContact O-N 3.19Å; L458-W463 HydrophobicContact CB-CZ2 4.24Å; L458-W463 PolarHBondContact O-NE1 3.16Å; L458-W463 VanDerWaalsContact O-NE1 3.09Å; L458-Y476 HydrophobicContact CB-CD2 3.98Å; L458-Y476 HydrophobicContact CB-CE2 3.76Å; L458-Y476 HydrophobicContact CD1-CD1 4.1Å; L458-Y476 HydrophobicContact CD1-CD2 4.08Å; L458-Y476 HydrophobicContact CD1-CE1 4.5Å; L458-Y476 HydrophobicContact CD1-CE2 4.46Å; L458-Y476 HydrophobicContact CD1-CG 3.88Å; L458-L480 HydrophobicContact CD1-CB 3.99Å; L458-L480 HydrophobicContact CG-CB 4.38Å
459	K	94.2	Very high	96	Very high	91 Å²	91	47.7 Å²	47.7	40%	0.396	28%	0.284	S	S	.	.			trans	-104.2	110.2	-174.9	-60.3	155.5	-169	160.7	0	109.5	N375 G376 Y377 Y476	N375-K459 WeakPolarHBondContact O-CE 3.31Å; N375-K459 PolarHBondContact O-NZ 2.86Å; G376-K459 WeakPolarHBondContact O-CB 3.18Å; G376-K459 PolarHBondContact O-N 2.9Å; Y377-K459 HydrophobicContact CD1-CB 4.35Å; Y377-K459 HydrophobicContact CD1-CD 3.75Å; Y377-K459 HydrophobicContact CE1-CD 3.35Å; Y377-K459 HydrophobicContact CE2-CD 4.26Å; Y377-K459 HydrophobicContact CG-CD 4.35Å; Y377-K459 PolarHBondContact OH-NZ 3.01Å; Y377-K459 VanDerWaalsContact OH-NZ 3.16Å; K459-Y476 WeakPolarHBondContact O-CE2 3.48Å; K459-Y476 PolarHBondContact O-OH 2.84Å
460	A	95.4	Very high	95.8	Very high	21 Å²	21	49.6 Å²	49.6	17%	0.174	29%	0.293	C	S	.	.			trans	-133.1	149.9	165	0	0	0	0	0	108.9	D462 W463 F475 Y476	A460-D462 WeakPolarHBondContact CB-OD1 3.31Å; A460-W463 HydrophobicContact CB-CG 4.31Å; A460-F475 HydrophobicContact CB-CB 4.5Å; A460-F475 HydrophobicContact CB-CD2 3.51Å; A460-F475 HydrophobicContact CB-CE2 3.91Å; A460-F475 HydrophobicContact CB-CG 4.18Å; A460-Y476 HydrophobicContact CB-CD2 3.95Å; A460-Y476 HydrophobicContact CB-CE2 3.65Å
461	S	94.8	Very high	95.8	Very high	117 Å²	117	55.2 Å²	55.2	82%	0.818	32%	0.317	S	S	*	.	S	Bend	trans	-85.8	-11.5	175.6	45.1	0	0	0	0	113.2
462	D	96.2	Very high	95.9	Very high	24 Å²	24	51.4 Å²	51.4	13%	0.128	30%	0.301	C	S	.	.			trans	-104.3	-1.8	-173.3	83.4	-46.5	0	0	0	114.3	A460 K464 S473 H474	A460-D462 WeakPolarHBondContact CB-OD1 3.31Å; D462-K464 WeakPolarHBondContact O-CG 3.43Å; D462-K464 PolarHBondContact O-N 2.96Å; D462-K464 VanDerWaalsContact O-N 3.12Å; D462-S473 VanDerWaalsContact OD1-CB 3.3Å; D462-S473 WeakPolarHBondContact OD1-CB 3.48Å; D462-S473 PolarHBondContact OD1-OG 3.1Å; D462-S473 WeakPolarHBondContact OD2-CA 2.88Å; D462-H474 IonicContact OD2-CE1 3.59Å; D462-H474 IonicContact OD2-CG 2.79Å; D462-H474 PolarHBondContact OD2-N 2.94Å; D462-H474 IonicContact OD2-ND1 3.05Å; D462-H474 PolarHBondContact OD2-ND1 3.49Å
463	W	97.6	Very high	95.9	Very high	60 Å²	60	50.6 Å²	50.6	23%	0.227	30%	0.296	C	S	.	.			trans	-46	114.5	177.2	-86	128.8	0	0	0	111.4	P455 L458 A460 K471 V472 Y476 G477	P455-W463 HydrophobicContact CB-CD2 4.43Å; P455-W463 HydrophobicContact CB-CH2 3.87Å; P455-W463 HydrophobicContact CB-CZ2 3.64Å; P455-W463 HydrophobicContact CB-CZ3 4.32Å; P455-W463 HydrophobicContact CG-CE3 4.29Å; P455-W463 HydrophobicContact CG-CH2 3.85Å; P455-W463 HydrophobicContact CG-CZ2 4.13Å; P455-W463 HydrophobicContact CG-CZ3 3.91Å; L458-W463 HydrophobicContact CB-CZ2 4.24Å; L458-W463 PolarHBondContact O-NE1 3.16Å; L458-W463 VanDerWaalsContact O-NE1 3.09Å; A460-W463 HydrophobicContact CB-CG 4.31Å; W463-K471 HydrophobicContact CE3-CB 4.33Å; W463-K471 HydrophobicContact CZ3-CB 4.45Å; W463-V472 VanDerWaalsContact CE3-C 3.48Å; W463-Y476 HydrophobicContact CH2-CD2 4.32Å; W463-Y476 AromaticContact CZ2-CD2 3.63Å; W463-Y476 HydrophobicContact CZ2-CD2 3.63Å; W463-Y476 HydrophobicContact CZ2-CE2 4.49Å; W463-Y476 HydrophobicContact CZ2-CG 4.37Å; W463-G477 WeakPolarHBondContact CZ3-O 3.25Å
464	K	96.9	Very high	95.9	Very high	104 Å²	104	50.4 Å²	50.4	45%	0.452	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	155.7	178	-74.8	157.5	-167	167.2	0	110.9	D462 K471 V472	D462-K464 WeakPolarHBondContact O-CG 3.43Å; D462-K464 PolarHBondContact O-N 2.96Å; D462-K464 VanDerWaalsContact O-N 3.12Å; K464-K471 CarbonylContact O-C 3.51Å; K464-K471 VanDerWaalsContact O-CA 3.29Å; K464-K471 WeakPolarHBondContact O-CA 3.4Å; K464-V472 PolarHBondContact N-O 3.18Å; K464-V472 PolarHBondContact O-N 2.99Å
465	V	98.1	Very high	96	Very high	91 Å²	91	47.9 Å²	47.9	55%	0.552	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	128	166.3	-177.8	0	0	0	0	107.4	H470 K471	V465-H470 CarbonylContact C-O 3.51Å; V465-H470 WeakPolarHBondContact CA-O 3.42Å; V465-K471 HydrophobicContact CG2-CG 3.9Å
466	N	98.1	Very high	96.2	Very high	9 Å²	9	46.1 Å²	46.1	5%	0.048	27%	0.274	C	S	.	.			trans	-82.3	174.7	177	88.1	-12.6	0	0	0	111.6	A468 G469 H470 T566 H592 W594 E596	N466-A468 PolarHBondContact O-N 2.79Å; N466-A468 VanDerWaalsContact O-N 3.07Å; N466-A468 WeakPolarHBondContact OD1-CA 3.35Å; N466-A468 PolarHBondContact OD1-N 3.41Å; N466-G469 PolarHBondContact O-N 3.17Å; N466-G469 PolarHBondContact OD1-N 3.07Å; N466-G469 VanDerWaalsContact OD1-N 3.11Å; N466-H470 PolarHBondContact N-O 2.82Å; N466-H470 PolarHBondContact OD1-N 3.31Å; N466-T566 WeakPolarHBondContact CA-OG1 3.44Å; N466-T566 HydrophobicContact CB-CG2 4.1Å; N466-H592 VanDerWaalsContact CB-O 3.26Å; N466-H592 WeakPolarHBondContact CB-O 3.46Å; N466-H592 PolarHBondContact ND2-O 3.25Å; N466-W594 PolarHBondContact ND2-O 2.83Å; N466-E596 WeakPolarHBondContact CB-OE1 3.42Å
467	G	97.2	Very high	96.6	Very high	47 Å²	47	44 Å²	44	49%	0.485	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-12.6	-177.8	0	0	0	0	0	115.3	T566 E596	G467-T566 PolarHBondContact N-OG1 2.97Å; G467-E596 PolarHBondContact N-OE1 3.05Å
468	A	96.4	Very high	97	Very high	44 Å²	44	41.7 Å²	41.7	36%	0.364	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	2.9	175.1	0	0	0	0	0	113.3	N466 G595 E596	N466-A468 PolarHBondContact O-N 2.79Å; N466-A468 VanDerWaalsContact O-N 3.07Å; N466-A468 WeakPolarHBondContact OD1-CA 3.35Å; N466-A468 PolarHBondContact OD1-N 3.41Å; A468-G595 VanDerWaalsContact CB-C 3.47Å; A468-E596 HydrophobicContact CB-CG 4.18Å
469	G	96.3	Very high	97.2	Very high	53 Å²	53	41.2 Å²	41.2	55%	0.546	24%	0.243	S	C	.	.	S	Bend	trans	88.6	0	178	0	0	0	0	0	115.4	N466	N466-G469 PolarHBondContact O-N 3.17Å; N466-G469 PolarHBondContact OD1-N 3.07Å; N466-G469 VanDerWaalsContact OD1-N 3.11Å
470	H	96.5	Very high	97.4	Very high	40 Å²	40	36.9 Å²	36.9	19%	0.185	22%	0.224	C	C	.	.			trans	-75.1	140.4	176.3	-68.5	-92.8	0	0	0	111	V450 V465 N466 F478	V450-H470 PolarHBondContact O-ND1 3.21Å; V465-H470 CarbonylContact C-O 3.51Å; V465-H470 WeakPolarHBondContact CA-O 3.42Å; N466-H470 PolarHBondContact N-O 2.82Å; N466-H470 PolarHBondContact OD1-N 3.31Å; H470-F478 HydrophobicContact CB-CD1 3.91Å; H470-F478 HydrophobicContact CB-CE1 3.6Å
471	K	97.6	Very high	97.5	Very high	121 Å²	121	35.9 Å²	35.9	53%	0.526	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	128.9	170.1	-78.9	-176.5	175.8	-176.8	0	110.3	P455 W463 K464 V465 F478	P455-K471 HydrophobicContact CG-CB 3.74Å; P455-K471 HydrophobicContact CG-CD 3.93Å; P455-K471 HydrophobicContact CG-CG 4.48Å; W463-K471 HydrophobicContact CE3-CB 4.33Å; W463-K471 HydrophobicContact CZ3-CB 4.45Å; K464-K471 CarbonylContact O-C 3.51Å; K464-K471 VanDerWaalsContact O-CA 3.29Å; K464-K471 WeakPolarHBondContact O-CA 3.4Å; V465-K471 HydrophobicContact CG2-CG 3.9Å; K471-F478 WeakPolarHBondContact O-CD1 2.99Å
472	V	98.2	Very high	97.6	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.018	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	150.3	-176	74.3	0	0	0	0	112.1	W463 K464 G477 F478 H592	W463-V472 VanDerWaalsContact CE3-C 3.48Å; K464-V472 PolarHBondContact N-O 3.18Å; K464-V472 PolarHBondContact O-N 2.99Å; V472-G477 WeakPolarHBondContact CA-O 3.23Å; V472-F478 HydrophobicContact CB-CD1 4.14Å; V472-F478 HydrophobicContact CB-CE1 3.95Å; V472-F478 HydrophobicContact CG2-CD1 4.15Å; V472-F478 HydrophobicContact CG2-CE1 3.94Å; V472-F478 HydrophobicContact CG2-CE2 4.41Å; V472-F478 HydrophobicContact CG2-CG 4.48Å; V472-F478 HydrophobicContact CG2-CZ 4.09Å; V472-H592 HydrophobicContact CG1-CB 3.94Å; V472-H592 HydrophobicContact CG2-CB 4.29Å; V472-H592 VanDerWaalsContact CG2-CD2 3.41Å; V472-H592 WeakPolarHBondContact CG2-CD2 3.09Å
473	S	98.5	Very high	97.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-145.4	141.3	-179.8	164.6	0	0	0	0	109.9	D462 F475 Y476 G477	D462-S473 VanDerWaalsContact OD1-CB 3.3Å; D462-S473 WeakPolarHBondContact OD1-CB 3.48Å; D462-S473 PolarHBondContact OD1-OG 3.1Å; D462-S473 WeakPolarHBondContact OD2-CA 2.88Å; S473-F475 PolarHBondContact O-N 3.49Å; S473-F475 PolarHBondContact OG-N 3.24Å; S473-F475 VanDerWaalsContact OG-N 3.11Å; S473-Y476 PolarHBondContact O-N 3.1Å; S473-G477 PolarHBondContact N-O 2.73Å; S473-G477 WeakPolarHBondContact O-CA 3.49Å; S473-G477 PolarHBondContact O-N 2.97Å
474	H	98.3	Very high	97.6	Very high	9 Å²	9	29.2 Å²	29.2	4%	0.042	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-13.5	175.7	-51.4	77.9	0	0	0	112.2	E384 C385 D462 Q569 H592	E384-H474 WeakPolarHBondContact CA-O 3.44Å; E384-H474 HydrophobicContact CB-CB 4.42Å; C385-H474 PolarHBondContact N-O 2.73Å; C385-H474 VanDerWaalsContact N-O 3.11Å; D462-H474 IonicContact OD2-CE1 3.59Å; D462-H474 IonicContact OD2-CG 2.79Å; D462-H474 PolarHBondContact OD2-N 2.94Å; D462-H474 IonicContact OD2-ND1 3.05Å; D462-H474 PolarHBondContact OD2-ND1 3.49Å; H474-Q569 PolarHBondContact NE2-N 2.94Å; H474-H592 AromaticContact CD2-CE1 3.35Å; H474-H592 PolarHBondContact CD2-CE1 3.19Å; H474-H592 AromaticContact CE1-CE1 3.55Å; H474-H592 AromaticContact CE1-ND1 3.77Å; H474-H592 AromaticContact CG-CE1 3.5Å; H474-H592 AromaticContact ND1-CE1 3.63Å; H474-H592 AromaticContact NE2-CE1 3.38Å; H474-H592 PolarHBondContact NE2-CE1 3.38Å; H474-H592 AromaticContact NE2-ND1 3.57Å
475	F	97.4	Very high	97.7	Very high	28 Å²	28	25.8 Å²	25.8	12%	0.123	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-32.5	174.9	-58	2.7	0	0	0	111.4	K378 L382 E384 A460 S473	K378-F475 HydrophobicContact CB-CD2 4.11Å; K378-F475 HydrophobicContact CB-CE2 4.45Å; K378-F475 HydrophobicContact CD-CD2 4.17Å; K378-F475 HydrophobicContact CD-CE2 4.24Å; K378-F475 HydrophobicContact CD-CG 4.33Å; K378-F475 HydrophobicContact CD-CZ 4.47Å; L382-F475 HydrophobicContact CD2-CB 4.23Å; E384-F475 HydrophobicContact CB-CD1 4.47Å; E384-F475 HydrophobicContact CG-CD1 3.64Å; E384-F475 HydrophobicContact CG-CE1 3.91Å; E384-F475 WeakPolarHBondContact OE1-CE1 3.5Å; E384-F475 WeakPolarHBondContact OE2-CE1 3.23Å; A460-F475 HydrophobicContact CB-CB 4.5Å; A460-F475 HydrophobicContact CB-CD2 3.51Å; A460-F475 HydrophobicContact CB-CE2 3.91Å; A460-F475 HydrophobicContact CB-CG 4.18Å; S473-F475 PolarHBondContact O-N 3.49Å; S473-F475 PolarHBondContact OG-N 3.24Å; S473-F475 VanDerWaalsContact OG-N 3.11Å
476	Y	98.3	Very high	97.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.4	-1.5	-163.4	-55.8	-51.4	0	0	0	115.7	A372 K378 A390 T391 L458 K459 A460 W463 S473 F478 G479	A372-Y476 HydrophobicContact CB-CE1 4.32Å; K378-Y476 PolarHBondContact N-OH 2.93Å; A390-Y476 CarbonylContact C-O 3.59Å; T391-Y476 HydrophobicContact CG2-CD1 3.94Å; T391-Y476 VanDerWaalsContact OG1-C 3.32Å; T391-Y476 WeakPolarHBondContact OG1-CA 3.49Å; T391-Y476 VanDerWaalsContact OG1-CB 3.28Å; T391-Y476 WeakPolarHBondContact OG1-CB 3.1Å; T391-Y476 PolarHBondContact OG1-O 2.8Å; L458-Y476 HydrophobicContact CB-CD2 3.98Å; L458-Y476 HydrophobicContact CB-CE2 3.76Å; L458-Y476 HydrophobicContact CD1-CD1 4.1Å; L458-Y476 HydrophobicContact CD1-CD2 4.08Å; L458-Y476 HydrophobicContact CD1-CE1 4.5Å; L458-Y476 HydrophobicContact CD1-CE2 4.46Å; L458-Y476 HydrophobicContact CD1-CG 3.88Å; K459-Y476 WeakPolarHBondContact O-CE2 3.48Å; K459-Y476 PolarHBondContact O-OH 2.84Å; A460-Y476 HydrophobicContact CB-CD2 3.95Å; A460-Y476 HydrophobicContact CB-CE2 3.65Å; W463-Y476 HydrophobicContact CH2-CD2 4.32Å; W463-Y476 AromaticContact CZ2-CD2 3.63Å; W463-Y476 HydrophobicContact CZ2-CD2 3.63Å; W463-Y476 HydrophobicContact CZ2-CE2 4.49Å; W463-Y476 HydrophobicContact CZ2-CG 4.37Å; S473-Y476 PolarHBondContact O-N 3.1Å; Y476-F478 PolarHBondContact O-N 2.88Å; Y476-G479 WeakPolarHBondContact O-CA 3.48Å; Y476-G479 PolarHBondContact O-N 3.33Å
477	G	98.4	Very high	97.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	58.7	-130.4	-167.3	0	0	0	0	0	110.9	T388 W463 V472 S473 G479	T388-G477 WeakPolarHBondContact O-CA 3.15Å; W463-G477 WeakPolarHBondContact CZ3-O 3.25Å; V472-G477 WeakPolarHBondContact CA-O 3.23Å; S473-G477 PolarHBondContact N-O 2.73Å; S473-G477 WeakPolarHBondContact O-CA 3.49Å; S473-G477 PolarHBondContact O-N 2.97Å; G477-G479 PolarHBondContact O-N 2.77Å
478	F	98.6	Very high	97.8	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.018	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	1.9	175	-63	-79	0	0	0	113.8	L389 V450 S453 H470 K471 V472 Y476 V591 W594	L389-F478 HydrophobicContact CD1-CD2 4.26Å; L389-F478 HydrophobicContact CD1-CE2 4.15Å; L389-F478 WeakPolarHBondContact O-CD2 3.4Å; L389-F478 PolarHBondContact O-N 3.41Å; V450-F478 HydrophobicContact CB-CD2 4.16Å; V450-F478 HydrophobicContact CB-CE2 4.28Å; V450-F478 HydrophobicContact CB-CG 4.45Å; V450-F478 HydrophobicContact CG1-CD1 4.06Å; V450-F478 HydrophobicContact CG1-CD2 4.05Å; V450-F478 HydrophobicContact CG1-CE1 3.92Å; V450-F478 HydrophobicContact CG1-CE2 3.92Å; V450-F478 HydrophobicContact CG1-CG 4.12Å; V450-F478 HydrophobicContact CG1-CZ 3.84Å; V450-F478 HydrophobicContact CG2-CD2 3.66Å; V450-F478 HydrophobicContact CG2-CE2 3.58Å; V450-F478 HydrophobicContact CG2-CG 4.42Å; V450-F478 HydrophobicContact CG2-CZ 4.29Å; S453-F478 CarbonylContact C-O 3.55Å; H470-F478 HydrophobicContact CB-CD1 3.91Å; H470-F478 HydrophobicContact CB-CE1 3.6Å; K471-F478 WeakPolarHBondContact O-CD1 2.99Å; V472-F478 HydrophobicContact CB-CD1 4.14Å; V472-F478 HydrophobicContact CB-CE1 3.95Å; V472-F478 HydrophobicContact CG2-CD1 4.15Å; V472-F478 HydrophobicContact CG2-CE1 3.94Å; V472-F478 HydrophobicContact CG2-CE2 4.41Å; V472-F478 HydrophobicContact CG2-CG 4.48Å; V472-F478 HydrophobicContact CG2-CZ 4.09Å; Y476-F478 PolarHBondContact O-N 2.88Å; F478-V591 HydrophobicContact CE2-CB 4.28Å; F478-V591 HydrophobicContact CE2-CG2 3.99Å; F478-V591 WeakPolarHBondContact CZ-O 3.23Å; F478-W594 HydrophobicContact CE2-CB 4.46Å; F478-W594 HydrophobicContact CZ-CB 3.84Å
479	G	98	Very high	97.8	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.12	C	C	.	.			trans	107.7	-159.1	170.7	0	0	0	0	0	114.8	T391 R454 Y476 G477 V481	T391-G479 PolarHBondContact N-O 2.66Å; R454-G479 CarbonylContact O-C 3.47Å; Y476-G479 WeakPolarHBondContact O-CA 3.48Å; Y476-G479 PolarHBondContact O-N 3.33Å; G477-G479 PolarHBondContact O-N 2.77Å; G479-V481 PolarHBondContact O-N 3.35Å
480	L	97.8	Very high	97.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-68.9	128.8	-176.1	-164	73.5	0	0	0	110.6	E183 M184 T391 Y393 S453 R454 A456 L458 D482	E183-L480 HydrophobicContact CB-CD2 3.71Å; M184-L480 HydrophobicContact CG-CD1 3.95Å; M184-L480 HydrophobicContact CG-CD2 3.97Å; M184-L480 HydrophobicContact CG-CG 3.82Å; M184-L480 HydrophobicContact SD-CD1 4.31Å; T391-L480 HydrophobicContact CG2-CD1 4.43Å; T391-L480 WeakPolarHBondContact O-CA 3.16Å; Y393-L480 HydrophobicContact CE2-CD2 4.21Å; S453-L480 WeakPolarHBondContact CA-O 3.45Å; R454-L480 PolarHBondContact N-O 2.71Å; R454-L480 PolarHBondContact O-N 2.9Å; A456-L480 HydrophobicContact CB-CB 4.09Å; A456-L480 HydrophobicContact CB-CD2 4.19Å; L458-L480 HydrophobicContact CD1-CB 3.99Å; L458-L480 HydrophobicContact CG-CB 4.38Å; L480-D482 PolarHBondContact O-N 2.63Å
481	V	98	Very high	98	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.114	C	C	.	.			trans	-67.6	128.7	176.9	-180	0	0	0	0	110.7	M184 A390 T391 V426 I429 L449 G479	M184-V481 WeakPolarHBondContact CA-O 3.43Å; A390-V481 HydrophobicContact CB-CG2 3.57Å; T391-V481 PolarHBondContact O-N 3.45Å; V426-V481 HydrophobicContact CG2-CG2 3.99Å; I429-V481 HydrophobicContact CB-CG1 4.4Å; I429-V481 HydrophobicContact CD1-CB 4.34Å; I429-V481 HydrophobicContact CD1-CG1 3.87Å; I429-V481 HydrophobicContact CG2-CG1 3.8Å; L449-V481 HydrophobicContact CD2-CG1 3.86Å; L449-V481 HydrophobicContact CD2-CG2 3.85Å; G479-V481 PolarHBondContact O-N 3.35Å
482	D	97.5	Very high	97.8	Very high	11 Å²	11	23.6 Å²	23.6	6%	0.059	12%	0.116	C	C	.	.			trans	-106.5	105.4	176.6	-172.3	-38.8	0	0	0	109.9	N185 R454 L480 E484 A485 L486	N185-D482 WeakPolarHBondContact CB-OD1 3.49Å; N185-D482 PolarHBondContact ND2-OD1 2.66Å; N185-D482 PolarHBondContact ND2-OD2 3.18Å; R454-D482 HydrophobicContact CG-CB 4.46Å; R454-D482 IonicContact CZ-OD2 2.95Å; R454-D482 IonicContact NE-OD2 3.22Å; R454-D482 PolarHBondContact NE-OD2 2.68Å; R454-D482 VanDerWaalsContact NE-OD2 3.12Å; R454-D482 IonicContact NH1-OD2 3.99Å; R454-D482 IonicContact NH2-OD2 3.84Å; R454-D482 PolarHBondContact NH2-OD2 2.98Å; L480-D482 PolarHBondContact O-N 2.63Å; D482-E484 PolarHBondContact O-N 3.27Å; D482-E484 PolarHBondContact OD1-N 2.95Å; D482-A485 HydrophobicContact CB-CB 3.92Å; D482-A485 PolarHBondContact O-N 2.82Å; D482-A485 PolarHBondContact OD1-N 2.93Å; D482-L486 WeakPolarHBondContact O-CB 3.42Å; D482-L486 PolarHBondContact O-N 2.9Å
483	A	98.3	Very high	97.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.8	-33.3	-173.3	0	0	0	0	0	113.5	M184 V186 A189 I429 L432 V487	M184-A483 VanDerWaalsContact O-CB 3.32Å; M184-A483 WeakPolarHBondContact O-CB 3.34Å; M184-A483 PolarHBondContact O-N 3.14Å; V186-A483 HydrophobicContact CB-CB 4.49Å; V186-A483 HydrophobicContact CG2-CB 3.94Å; A189-A483 HydrophobicContact CB-CB 4.33Å; I429-A483 HydrophobicContact CB-CB 4.47Å; I429-A483 HydrophobicContact CD1-CB 4.03Å; I429-A483 HydrophobicContact CG1-CB 4Å; I429-A483 HydrophobicContact CG2-CB 3.71Å; L432-A483 HydrophobicContact CD1-CB 4.49Å; A483-V487 WeakPolarHBondContact O-CB 3.1Å; A483-V487 VanDerWaalsContact O-CG2 3.25Å; A483-V487 WeakPolarHBondContact O-CG2 3.31Å; A483-V487 PolarHBondContact O-N 2.62Å; A483-V487 VanDerWaalsContact O-N 3.16Å
484	E	96.3	Very high	97.6	Very high	50 Å²	50	29 Å²	29	23%	0.234	15%	0.146	C	C	.	.	H	α-helix	trans	-69.8	-46.9	176.3	180	176.2	-152.1	0	0	110.5	N185 A188 R192 D482 L486 V487 V488	N185-E484 HydrophobicContact CB-CB 3.95Å; A188-E484 HydrophobicContact CB-CB 3.94Å; A188-E484 VanDerWaalsContact CB-CD 3.43Å; A188-E484 HydrophobicContact CB-CG 4.05Å; A188-E484 VanDerWaalsContact CB-OE2 3.29Å; A188-E484 WeakPolarHBondContact CB-OE2 3.28Å; R192-E484 IonicContact CZ-OE1 2.78Å; R192-E484 IonicContact NE-OE1 3.72Å; R192-E484 PolarHBondContact NE-OE1 2.84Å; R192-E484 IonicContact NH2-OE1 3.44Å; R192-E484 PolarHBondContact NH2-OE1 2.94Å; D482-E484 PolarHBondContact O-N 3.27Å; D482-E484 PolarHBondContact OD1-N 2.95Å; E484-L486 PolarHBondContact O-N 3.04Å; E484-V487 PolarHBondContact O-N 3.4Å; E484-V488 HydrophobicContact CG-CG2 4.22Å; E484-V488 WeakPolarHBondContact O-CB 3.29Å; E484-V488 VanDerWaalsContact O-CG2 3.24Å; E484-V488 WeakPolarHBondContact O-CG2 3.37Å; E484-V488 PolarHBondContact O-N 3.19Å
485	A	97.9	Very high	97.4	Very high	32 Å²	32	31.4 Å²	31.4	26%	0.264	17%	0.167	S	C	.	.	H	α-helix	trans	-61.9	-43.8	178.6	0	0	0	0	0	111.4	T452 D482 V487 V488 E489	T452-A485 HydrophobicContact CG2-CB 4.18Å; D482-A485 HydrophobicContact CB-CB 3.92Å; D482-A485 PolarHBondContact O-N 2.82Å; D482-A485 PolarHBondContact OD1-N 2.93Å; A485-V487 PolarHBondContact O-N 2.84Å; A485-V488 PolarHBondContact O-N 2.9Å; A485-E489 VanDerWaalsContact O-CB 3.28Å; A485-E489 WeakPolarHBondContact O-CB 3.48Å; A485-E489 PolarHBondContact O-N 3.01Å
486	L	98.5	Very high	97.4	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-57.9	-49.2	177.3	-162.9	79.7	0	0	0	111.6	I429 A433 L448 L449 T452 D482 E484 E489 A490	I429-L486 HydrophobicContact CG2-CD2 3.66Å; A433-L486 HydrophobicContact CB-CD2 3.76Å; A433-L486 HydrophobicContact CB-CG 4.01Å; L448-L486 HydrophobicContact CB-CD1 3.66Å; L449-L486 HydrophobicContact CD2-CD1 3.98Å; L449-L486 HydrophobicContact CD2-CD2 4.35Å; L449-L486 HydrophobicContact CG-CD1 4.16Å; T452-L486 VanDerWaalsContact OG1-CD1 3.26Å; T452-L486 WeakPolarHBondContact OG1-CD1 3.45Å; D482-L486 WeakPolarHBondContact O-CB 3.42Å; D482-L486 PolarHBondContact O-N 2.9Å; E484-L486 PolarHBondContact O-N 3.04Å; L486-E489 PolarHBondContact O-N 3.08Å; L486-A490 WeakPolarHBondContact O-CB 3.24Å; L486-A490 PolarHBondContact O-N 3.29Å
487	V	98.4	Very high	97.3	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-65.3	-41.8	179.4	161.3	0	0	0	0	112.7	A189 Y194 L432 A436 A483 E484 A485 E489 K491	A189-V487 HydrophobicContact CB-CG2 4.16Å; Y194-V487 HydrophobicContact CD2-CG1 3.26Å; Y194-V487 HydrophobicContact CE2-CG1 3.59Å; Y194-V487 HydrophobicContact CG-CG1 3.77Å; L432-V487 HydrophobicContact CB-CG2 3.7Å; A436-V487 HydrophobicContact CB-CG1 4.06Å; A483-V487 WeakPolarHBondContact O-CB 3.1Å; A483-V487 VanDerWaalsContact O-CG2 3.25Å; A483-V487 WeakPolarHBondContact O-CG2 3.31Å; A483-V487 PolarHBondContact O-N 2.62Å; A483-V487 VanDerWaalsContact O-N 3.16Å; E484-V487 PolarHBondContact O-N 3.4Å; A485-V487 PolarHBondContact O-N 2.84Å; V487-E489 VanDerWaalsContact C-N 3.35Å; V487-K491 PolarHBondContact O-N 3.32Å
488	V	97.9	Very high	97.2	Very high	55 Å²	55	35.9 Å²	35.9	33%	0.333	20%	0.201	S	C	.	.	H	α-helix	trans	-69.4	-33.9	178.9	168.9	0	0	0	0	111.6	R192 E484 A485	R192-V488 VanDerWaalsContact CZ-CG2 3.46Å; E484-V488 HydrophobicContact CG-CG2 4.22Å; E484-V488 WeakPolarHBondContact O-CB 3.29Å; E484-V488 VanDerWaalsContact O-CG2 3.24Å; E484-V488 WeakPolarHBondContact O-CG2 3.37Å; E484-V488 PolarHBondContact O-N 3.19Å; A485-V488 PolarHBondContact O-N 2.9Å
489	E	97.9	Very high	97.1	Very high	33 Å²	33	38.4 Å²	38.4	15%	0.154	21%	0.213	C	C	.	.	H	α-helix	trans	-77	-43.9	176.7	-162.6	66.3	-150.4	0	0	111.5	L448 K451 T452 A485 L486 V487 K491 K492 W493	L448-E489 HydrophobicContact CD2-CB 3.65Å; L448-E489 HydrophobicContact CD2-CG 3.56Å; K451-E489 HydrophobicContact CD-CG 4.1Å; K451-E489 WeakPolarHBondContact CE-OE1 3.17Å; K451-E489 IonicContact NZ-OE1 3.13Å; K451-E489 PolarHBondContact NZ-OE1 3.32Å; T452-E489 HydrophobicContact CG2-CB 3.85Å; T452-E489 HydrophobicContact CG2-CG 4.18Å; A485-E489 VanDerWaalsContact O-CB 3.28Å; A485-E489 WeakPolarHBondContact O-CB 3.48Å; A485-E489 PolarHBondContact O-N 3.01Å; L486-E489 PolarHBondContact O-N 3.08Å; V487-E489 VanDerWaalsContact C-N 3.35Å; E489-K491 VanDerWaalsContact C-N 3.31Å; E489-K491 PolarHBondContact O-N 3.12Å; E489-K492 VanDerWaalsContact CD-NZ 3.27Å; E489-K492 VanDerWaalsContact O-CG 3.28Å; E489-K492 WeakPolarHBondContact O-CG 3.4Å; E489-K492 PolarHBondContact O-N 2.04Å; E489-K492 IonicContact OE1-NZ 2.8Å; E489-K492 PolarHBondContact OE1-NZ 3.16Å; E489-K492 WeakPolarHBondContact OE2-CE 3.35Å; E489-K492 IonicContact OE2-NZ 3.52Å; E489-K492 PolarHBondContact OE2-NZ 3.35Å; E489-W493 HydrophobicContact CG-CE3 3.95Å; E489-W493 HydrophobicContact CG-CZ3 3.94Å; E489-W493 PolarHBondContact O-N 2.96Å; E489-W493 VanDerWaalsContact O-N 3.13Å
490	A	98.3	Very high	97.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-51.9	-44.5	176.1	0	0	0	0	0	113.3	A433 A436 N437 L440 L448 L486 K492 W493	A433-A490 HydrophobicContact CB-CB 4.1Å; A436-A490 HydrophobicContact CB-CB 4.38Å; N437-A490 HydrophobicContact CB-CB 4.43Å; N437-A490 VanDerWaalsContact CB-O 3.3Å; N437-A490 WeakPolarHBondContact CB-O 3.21Å; N437-A490 PolarHBondContact ND2-O 3.38Å; L440-A490 HydrophobicContact CD1-CB 3.91Å; L448-A490 HydrophobicContact CD1-CB 4.07Å; L486-A490 WeakPolarHBondContact O-CB 3.24Å; L486-A490 PolarHBondContact O-N 3.29Å; A490-K492 PolarHBondContact O-N 2.7Å; A490-K492 VanDerWaalsContact O-N 3.16Å; A490-W493 VanDerWaalsContact O-CB 3.25Å; A490-W493 WeakPolarHBondContact O-CB 3.38Å; A490-W493 PolarHBondContact O-N 2.74Å
491	K	96.9	Very high	97.1	Very high	139 Å²	139	44.1 Å²	44.1	60%	0.604	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.2	-177.3	-172.9	171.4	-168.4	159	0	114.7	Y194 V487 E489	Y194-K491 WeakPolarHBondContact OH-CD 3.41Å; Y194-K491 PolarHBondContact OH-NZ 3.26Å; V487-K491 PolarHBondContact O-N 3.32Å; E489-K491 VanDerWaalsContact C-N 3.31Å; E489-K491 PolarHBondContact O-N 3.12Å
492	K	95.4	Very high	97.1	Very high	130 Å²	130	44.1 Å²	44.1	57%	0.565	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116	11.5	178.4	58.2	169.5	175.5	154.1	0	112	E489 A490	E489-K492 VanDerWaalsContact CD-NZ 3.27Å; E489-K492 VanDerWaalsContact O-CG 3.28Å; E489-K492 WeakPolarHBondContact O-CG 3.4Å; E489-K492 PolarHBondContact O-N 2.04Å; E489-K492 IonicContact OE1-NZ 2.8Å; E489-K492 PolarHBondContact OE1-NZ 3.16Å; E489-K492 WeakPolarHBondContact OE2-CE 3.35Å; E489-K492 IonicContact OE2-NZ 3.52Å; E489-K492 PolarHBondContact OE2-NZ 3.35Å; A490-K492 PolarHBondContact O-N 2.7Å; A490-K492 VanDerWaalsContact O-N 3.16Å
493	W	96.6	Very high	97.1	Very high	25 Å²	25	47.4 Å²	47.4	10%	0.095	26%	0.261	C	S	.	.			trans	-69.5	137.9	-177.6	-164.2	-102.1	0	0	0	111	L440 D444 H447 L448 K451 E489 A490 V496 Y637	L440-W493 HydrophobicContact CD2-CB 3.8Å; L440-W493 VanDerWaalsContact CD2-CD1 3.49Å; L440-W493 HydrophobicContact CD2-CG 3.77Å; D444-W493 VanDerWaalsContact CG-NE1 3.34Å; D444-W493 PolarHBondContact OD1-NE1 3.24Å; H447-W493 HydrophobicContact CB-CH2 3.88Å; H447-W493 HydrophobicContact CB-CZ2 3.58Å; L448-W493 HydrophobicContact CD1-CD2 4.37Å; L448-W493 HydrophobicContact CD1-CG 4.42Å; L448-W493 HydrophobicContact CD2-CD2 3.88Å; L448-W493 HydrophobicContact CD2-CE3 3.37Å; L448-W493 HydrophobicContact CD2-CG 4.5Å; L448-W493 HydrophobicContact CD2-CH2 4.3Å; L448-W493 HydrophobicContact CD2-CZ3 3.59Å; L448-W493 HydrophobicContact CG-CD2 3.94Å; L448-W493 HydrophobicContact CG-CE3 3.88Å; L448-W493 HydrophobicContact CG-CG 4.5Å; L448-W493 HydrophobicContact CG-CH2 4.24Å; L448-W493 HydrophobicContact CG-CZ2 4.36Å; L448-W493 HydrophobicContact CG-CZ3 4.01Å; K451-W493 HydrophobicContact CD-CH2 4.1Å; K451-W493 HydrophobicContact CD-CZ3 3.69Å; E489-W493 HydrophobicContact CG-CE3 3.95Å; E489-W493 HydrophobicContact CG-CZ3 3.94Å; E489-W493 PolarHBondContact O-N 2.96Å; E489-W493 VanDerWaalsContact O-N 3.13Å; A490-W493 VanDerWaalsContact O-CB 3.25Å; A490-W493 WeakPolarHBondContact O-CB 3.38Å; A490-W493 PolarHBondContact O-N 2.74Å; W493-V496 HydrophobicContact CZ2-CG1 3.91Å; W493-Y637 AromaticContact CH2-CD1 3.86Å; W493-Y637 HydrophobicContact CH2-CD1 3.86Å; W493-Y637 AromaticContact CH2-CE1 3.51Å; W493-Y637 HydrophobicContact CH2-CE1 3.51Å; W493-Y637 HydrophobicContact CZ2-CD1 4.3Å; W493-Y637 AromaticContact CZ2-CE1 3.97Å; W493-Y637 HydrophobicContact CZ2-CE1 3.97Å
494	T	94.6	Very high	96.9	Very high	92 Å²	92	48 Å²	48	56%	0.564	27%	0.266	S	S	*	.			trans	-107	130.1	166.2	-56.1	0	0	0	0	106.5	V496	T494-V496 PolarHBondContact O-N 2.78Å
495	A	95.4	Very high	96.7	Very high	58 Å²	58	46.8 Å²	46.8	48%	0.479	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-55.9	136.7	-176.3	0	0	0	0	0	111.3	D444	D444-A495 WeakPolarHBondContact OD1-CA 3.17Å
496	V	97.1	Very high	96.5	Very high	13 Å²	13	48.5 Å²	48.5	8%	0.079	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-66.9	154.3	-179.2	-62.4	0	0	0	0	111.5	R443 D444 H447 W493 T494 P636	R443-V496 HydrophobicContact CB-CG2 4.25Å; D444-V496 PolarHBondContact OD1-N 3.14Å; H447-V496 HydrophobicContact CB-CG1 4.42Å; W493-V496 HydrophobicContact CZ2-CG1 3.91Å; T494-V496 PolarHBondContact O-N 2.78Å; V496-P636 HydrophobicContact CB-CB 4.25Å; V496-P636 HydrophobicContact CG1-CB 3.97Å
497	P	96.6	Very high	96.1	Very high	26 Å²	26	49.3 Å²	49.3	17%	0.169	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-55.4	165.5	178.1	-24.3	32.7	0	0	0	113.6	R443 Q499 T632 E634	R443-P497 VanDerWaalsContact CZ-O 3.31Å; R443-P497 PolarHBondContact NH1-O 2.9Å; R443-P497 PolarHBondContact NH2-O 3.12Å; P497-Q499 PolarHBondContact O-N 2.87Å; P497-T632 HydrophobicContact CB-CG2 3.77Å; P497-T632 HydrophobicContact CG-CG2 4.22Å; P497-T632 WeakPolarHBondContact O-CG2 3.38Å; P497-E634 HydrophobicContact CG-CB 4.07Å
498	S	95	Very high	95.9	Very high	84 Å²	84	56 Å²	56	59%	0.587	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-54.2	134.5	177.8	45.4	0	0	0	0	112.1	H500	S498-H500 PolarHBondContact O-N 3.39Å; S498-H500 PolarHBondContact OG-NE2 2.93Å
499	Q	97.4	Very high	95.7	Very high	57 Å²	57	61.2 Å²	61.2	27%	0.266	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-69.8	126.8	176.4	-156.6	-179.6	47.9	0	0	110	P497 E540 G631	P497-Q499 PolarHBondContact O-N 2.87Å; Q499-E540 PolarHBondContact NE2-OE2 2.67Å; Q499-G631 WeakPolarHBondContact CA-O 3.46Å
500	H	97.9	Very high	95.5	Very high	29 Å²	29	64.4 Å²	64.4	13%	0.134	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	152.4	169.3	-63.8	178.1	0	0	0	109.7	S498 S532 R535 V536 Y630 G631	S498-H500 PolarHBondContact O-N 3.39Å; S498-H500 PolarHBondContact OG-NE2 2.93Å; H500-S532 PolarHBondContact CE1-O 3.04Å; H500-S532 VanDerWaalsContact CE1-O 3.22Å; H500-R535 PolarHBondContact ND1-O 2.83Å; H500-V536 HydrophobicContact CB-CG2 3.97Å; H500-Y630 WeakPolarHBondContact O-CA 3.12Å; H500-G631 PolarHBondContact N-O 2.94Å; H500-G631 PolarHBondContact O-N 3.1Å
501	M	97.9	Very high	95.4	Very high	91 Å²	91	67.5 Å²	67.5	45%	0.448	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	121.3	174.9	-178	-153.8	-63.9	0	0	108.5	I628 L629 Y630	M501-I628 HydrophobicContact CG-CG2 3.8Å; M501-I628 HydrophobicContact SD-CG2 4.3Å; M501-L629 WeakPolarHBondContact CA-O 3.4Å; M501-Y630 HydrophobicContact CB-CD1 4.21Å; M501-Y630 HydrophobicContact CB-CE1 4.07Å; M501-Y630 HydrophobicContact CE-CE1 3.7Å; M501-Y630 HydrophobicContact CG-CD1 4.17Å; M501-Y630 HydrophobicContact CG-CE1 3.69Å; M501-Y630 HydrophobicContact SD-CE1 4.39Å
502	C	98.1	Very high	95.3	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	120.4	176.2	176.1	0	0	0	0	110.7	A504 C528 Q534 V536 I628 L629	C502-A504 PolarHBondContact O-N 3.32Å; C502-A504 VanDerWaalsContact SG-CA 3.56Å; C502-C528 WeakPolarHBondContact CA-SG 3.05Å; C502-C528 HydrophobicContact CB-CB 3.76Å; C502-C528 WeakPolarHBondContact CB-SG 3.47Å; C502-C528 WeakPolarHBondContact SG-CB 3.38Å; C502-C528 PolarHBondContact SG-N 3.1Å; C502-C528 CovalentContact SG-SG 2.04Å; C502-C528 PolarHBondContact SG-SG 3.08Å; C502-Q534 WeakPolarHBondContact CB-O 3.37Å; C502-V536 HydrophobicContact CB-CG2 4.08Å; C502-I628 CarbonylContact O-C 3.59Å; C502-I628 WeakPolarHBondContact O-CA 3.28Å; C502-L629 HydrophobicContact CB-CB 4.41Å; C502-L629 PolarHBondContact N-O 3.42Å; C502-L629 PolarHBondContact O-N 3.39Å
503	V	97.6	Very high	95.2	Very high	80 Å²	80	57.7 Å²	57.7	49%	0.485	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	73.6	166.9	-173	0	0	0	0	108.4	A505 L627	V503-A505 PolarHBondContact O-N 3.38Å; V503-L627 CarbonylContact C-O 3.43Å
504	A	92.5	Very high	95	Very high	13 Å²	13	58 Å²	58	11%	0.107	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	-22.8	-165.7	0	0	0	0	0	115	C502 T525 L627 L629	C502-A504 PolarHBondContact O-N 3.32Å; C502-A504 VanDerWaalsContact SG-CA 3.56Å; A504-T525 HydrophobicContact CB-CG2 4.04Å; A504-T525 WeakPolarHBondContact O-CB 3.24Å; A504-T525 PolarHBondContact O-OG1 2.89Å; A504-L627 HydrophobicContact CB-CD2 4.09Å; A504-L627 HydrophobicContact CB-CG 4.25Å; A504-L627 PolarHBondContact N-O 2.97Å; A504-L629 HydrophobicContact CB-CD1 3.53Å; A504-L629 HydrophobicContact CB-CG 3.73Å
505	A	92.6	Very high	94.6	Very high	23 Å²	23	55.9 Å²	55.9	19%	0.19	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	154.1	170	0	0	0	0	0	112.1	V503 A523 S626 L627	V503-A505 PolarHBondContact O-N 3.38Å; A505-A523 HydrophobicContact CB-CB 3.58Å; A505-S626 CarbonylContact O-C 3.53Å; A505-S626 VanDerWaalsContact O-CA 3.24Å; A505-S626 WeakPolarHBondContact O-CA 3.47Å; A505-S626 WeakPolarHBondContact O-CB 2.99Å; A505-L627 HydrophobicContact CB-CB 4.2Å; A505-L627 PolarHBondContact N-O 2.77Å; A505-L627 PolarHBondContact O-N 3.25Å
506	S	92.9	Very high	93.9	Very high	68 Å²	68	58.3 Å²	58.3	48%	0.476	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	122.3	167.9	-165.7	0	0	0	0	109.2	W625 S626	S506-W625 WeakPolarHBondContact CA-O 3.35Å; S506-S626 WeakPolarHBondContact CB-OG 3.36Å; S506-S626 PolarHBondContact OG-OG 3.3Å
507	D	92.2	Very high	93.5	Very high	18 Å²	18	64 Å²	64	10%	0.096	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	115.4	177	-172	0.1	0	0	0	110.1	R509 R511 E624 W625	D507-R509 VanDerWaalsContact OD1-CB 3.31Å; D507-R509 WeakPolarHBondContact OD1-CB 3.16Å; D507-R509 WeakPolarHBondContact OD1-CG 3.03Å; D507-R509 IonicContact OD1-CZ 3.52Å; D507-R509 PolarHBondContact OD1-N 3.31Å; D507-R509 IonicContact OD1-NE 2.64Å; D507-R509 PolarHBondContact OD1-NE 2.68Å; D507-R509 IonicContact OD1-NH2 3.84Å; D507-R509 IonicContact OD2-CZ 3.46Å; D507-R509 IonicContact OD2-NE 3.8Å; D507-R509 PolarHBondContact OD2-NE 3.45Å; D507-R509 IonicContact OD2-NH2 2.62Å; D507-R509 PolarHBondContact OD2-NH2 2.8Å; D507-R511 IonicContact OD2-CZ 2.81Å; D507-R511 IonicContact OD2-NE 2.69Å; D507-R511 IonicContact OD2-NH2 3.72Å; D507-R511 PolarHBondContact OD2-NH2 3.02Å; D507-E624 CarbonylContact O-C 3.57Å; D507-E624 VanDerWaalsContact O-CA 3.23Å; D507-E624 WeakPolarHBondContact O-CA 3.44Å; D507-E624 WeakPolarHBondContact O-CB 3.22Å; D507-W625 PolarHBondContact N-O 2.97Å; D507-W625 PolarHBondContact O-N 2.86Å
508	K	92.9	Very high	93.4	Very high	142 Å²	142	65.3 Å²	65.3	62%	0.617	35%	0.354	S	S	*	.			trans	-103.7	11.5	-177.4	-56.2	-165.6	171.8	-165.2	0	113.6	P510 E624	K508-P510 VanDerWaalsContact O-CD 3.29Å; K508-P510 WeakPolarHBondContact O-CD 3.44Å; K508-E624 HydrophobicContact CB-CB 4.27Å; K508-E624 WeakPolarHBondContact CD-OE2 3.33Å; K508-E624 WeakPolarHBondContact CE-OE2 3.37Å; K508-E624 HydrophobicContact CG-CB 4.11Å; K508-E624 WeakPolarHBondContact CG-OE2 3.2Å; K508-E624 IonicContact NZ-OE2 2.89Å
509	R	93.5	Very high	93.5	Very high	164 Å²	164	62.3 Å²	62.3	62%	0.619	33%	0.331	S	S	*	.			trans	-81.6	113.5	177.5	-64.3	171.1	-66.1	-174.8	1.2	109	D507 R511	D507-R509 VanDerWaalsContact OD1-CB 3.31Å; D507-R509 WeakPolarHBondContact OD1-CB 3.16Å; D507-R509 WeakPolarHBondContact OD1-CG 3.03Å; D507-R509 IonicContact OD1-CZ 3.52Å; D507-R509 PolarHBondContact OD1-N 3.31Å; D507-R509 IonicContact OD1-NE 2.64Å; D507-R509 PolarHBondContact OD1-NE 2.68Å; D507-R509 IonicContact OD1-NH2 3.84Å; D507-R509 IonicContact OD2-CZ 3.46Å; D507-R509 IonicContact OD2-NE 3.8Å; D507-R509 PolarHBondContact OD2-NE 3.45Å; D507-R509 IonicContact OD2-NH2 2.62Å; D507-R509 PolarHBondContact OD2-NH2 2.8Å; R509-R511 WeakPolarHBondContact O-CG 3.49Å
510	P	94.3	Very high	93.4	Very high	100 Å²	100	67.1 Å²	67.1	65%	0.649	35%	0.346	S	S	*	.			trans	-66.2	139.8	-178.4	-21.1	34.7	0	0	0	111.5	K508 L622	K508-P510 VanDerWaalsContact O-CD 3.29Å; K508-P510 WeakPolarHBondContact O-CD 3.44Å; P510-L622 CarbonylContact C-O 3.41Å; P510-L622 VanDerWaalsContact CA-O 3.24Å; P510-L622 WeakPolarHBondContact CA-O 3.31Å
511	R	95.3	Very high	93.3	Very high	66 Å²	66	65.9 Å²	65.9	25%	0.249	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	132.1	178.9	-51	-172.5	-166.7	-170.3	9.2	110.2	D507 R509 L519 R520 T521 K621 L622	D507-R511 IonicContact OD2-CZ 2.81Å; D507-R511 IonicContact OD2-NE 2.69Å; D507-R511 IonicContact OD2-NH2 3.72Å; D507-R511 PolarHBondContact OD2-NH2 3.02Å; R509-R511 WeakPolarHBondContact O-CG 3.49Å; R511-L519 HydrophobicContact CB-CD1 4.09Å; R511-L519 HydrophobicContact CB-CD2 4.07Å; R511-R520 PolarHBondContact NH1-O 2.76Å; R511-T521 VanDerWaalsContact CZ-OG1 3.28Å; R511-T521 PolarHBondContact NH1-OG1 3.25Å; R511-T521 PolarHBondContact NH2-OG1 2.64Å; R511-K621 CarbonylContact O-C 3.56Å; R511-K621 WeakPolarHBondContact O-CA 3.45Å; R511-L622 PolarHBondContact N-O 2.8Å; R511-L622 PolarHBondContact O-N 2.82Å
512	S	94.6	Very high	93.2	Very high	63 Å²	63	65.1 Å²	65.1	44%	0.441	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	139.6	167.2	-60.1	0	0	0	0	109.9	G620	S512-G620 CarbonylContact C-O 3.51Å; S512-G620 WeakPolarHBondContact CA-O 3.43Å
513	I	95.3	Very high	93.1	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	113.5	173.1	-54.9	166	0	0	0	106.1	L519 I548 L556 I606 D608 G620	I513-L519 HydrophobicContact CG1-CD2 3.83Å; I513-L519 HydrophobicContact CG2-CB 4.46Å; I513-I548 HydrophobicContact CD1-CG2 3.74Å; I513-L556 HydrophobicContact CD1-CD2 4.13Å; I513-I606 HydrophobicContact CD1-CG2 3.95Å; I513-I606 HydrophobicContact CG1-CG2 4.35Å; I513-I606 HydrophobicContact CG2-CG2 3.99Å; I513-D608 HydrophobicContact CG2-CB 3.7Å; I513-G620 PolarHBondContact N-O 2.85Å
514	P	90.7	Very high	93.1	Very high	32 Å²	32	68.5 Å²	68.5	21%	0.208	36%	0.357	C	S	.	.			trans	-76.4	144	-175.8	32.1	-34	0	0	0	111.2	V516 Q517	P514-V516 PolarHBondContact O-N 3.09Å; P514-Q517 HydrophobicContact CB-CB 4.01Å; P514-Q517 HydrophobicContact CG-CB 3.74Å
515	L	86.1	Confident	93.3	Very high	46 Å²	46	68.7 Å²	68.7	24%	0.241	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-65.8	130.8	178.2	-57.9	171.3	0	0	0	110.7	Q517 D608 P616	L515-Q517 PolarHBondContact O-N 2.79Å; L515-D608 WeakPolarHBondContact CD2-OD2 3.16Å; L515-P616 HydrophobicContact CD1-CB 3.49Å; L515-P616 VanDerWaalsContact CD1-CB 3.49Å
516	V	81.8	Confident	93.5	Very high	109 Å²	109	69.9 Å²	69.9	66%	0.661	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	0.8	174.7	-166.3	0	0	0	0	114.2	P514 D608	P514-V516 PolarHBondContact O-N 3.09Å; V516-D608 PolarHBondContact N-O 2.57Å
517	Q	88.1	Confident	93.7	Very high	133 Å²	133	66.6 Å²	66.6	62%	0.621	34%	0.341	S	S	*	.	S	Bend	trans	-111.5	163.7	175.9	-62.8	178.7	21.2	0	0	110.5	P514 L515	P514-Q517 HydrophobicContact CB-CB 4.01Å; P514-Q517 HydrophobicContact CG-CB 3.74Å; L515-Q517 PolarHBondContact O-N 2.79Å
518	V	94.4	Very high	93.9	Very high	54 Å²	54	66.6 Å²	66.6	33%	0.327	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	113	-179.4	-169	0	0	0	0	109.9	R520 E605 Q607	V518-R520 HydrophobicContact CB-CG 4.45Å; V518-R520 HydrophobicContact CG1-CG 3.85Å; V518-R520 PolarHBondContact O-N 3.32Å; V518-E605 HydrophobicContact CG1-CB 3.74Å; V518-E605 HydrophobicContact CG1-CG 4.08Å; V518-Q607 HydrophobicContact CB-CG 4.4Å; V518-Q607 HydrophobicContact CG1-CG 4.08Å; V518-Q607 HydrophobicContact CG2-CG 4.02Å
519	L	96.6	Very high	94	Very high	21 Å²	21	61.3 Å²	61.3	11%	0.11	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	112.7	162.3	176.1	62.4	0	0	0	108.1	R511 I513 E605 I606 L622	R511-L519 HydrophobicContact CB-CD1 4.09Å; R511-L519 HydrophobicContact CB-CD2 4.07Å; I513-L519 HydrophobicContact CG1-CD2 3.83Å; I513-L519 HydrophobicContact CG2-CB 4.46Å; L519-E605 WeakPolarHBondContact O-CA 3.38Å; L519-I606 HydrophobicContact CB-CB 4.37Å; L519-I606 PolarHBondContact N-O 3.08Å; L519-I606 PolarHBondContact O-N 3.35Å; L519-L622 HydrophobicContact CD2-CB 4.1Å; L519-L622 HydrophobicContact CD2-CD2 4.28Å
520	R	96.7	Very high	94.1	Very high	157 Å²	157	60.9 Å²	60.9	59%	0.592	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	135.5	173.1	-68.8	-174.8	163.3	147.9	-2.2	110.8	R511 V518 E605	R511-R520 PolarHBondContact NH1-O 2.76Å; V518-R520 HydrophobicContact CB-CG 4.45Å; V518-R520 HydrophobicContact CG1-CG 3.85Å; V518-R520 PolarHBondContact O-N 3.32Å; R520-E605 HydrophobicContact CG-CG 4.3Å; R520-E605 IonicContact CZ-OE1 4Å; R520-E605 IonicContact NE-OE1 3.7Å; R520-E605 PolarHBondContact NE-OE1 2.99Å; R520-E605 IonicContact NH2-OE1 3.15Å; R520-E605 PolarHBondContact NH2-OE1 2.93Å
521	T	95.7	Very high	94.1	Very high	4 Å²	4	60.9 Å²	60.9	3%	0.025	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	135.6	165.1	-176.7	0	0	0	0	110.2	R511 L604 L622 W625	R511-T521 VanDerWaalsContact CZ-OG1 3.28Å; R511-T521 PolarHBondContact NH1-OG1 3.25Å; R511-T521 PolarHBondContact NH2-OG1 2.64Å; T521-L604 HydrophobicContact CG2-CB 3.77Å; T521-L604 HydrophobicContact CG2-CD2 3.96Å; T521-L604 HydrophobicContact CG2-CG 4.11Å; T521-L604 PolarHBondContact N-O 3.19Å; T521-L604 PolarHBondContact O-N 2.91Å; T521-L622 HydrophobicContact CG2-CD2 4.48Å; T521-W625 HydrophobicContact CG2-CD2 4.4Å; T521-W625 HydrophobicContact CG2-CZ2 3.78Å
522	T	95.7	Very high	94	Very high	74 Å²	74	62.7 Å²	62.7	45%	0.454	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	152.1	-178.4	51.8	0	0	0	0	110.9	Q601 W602 T603	T522-Q601 HydrophobicContact CG2-CG 4.34Å; T522-W602 CarbonylContact C-O 3.55Å; T522-W602 VanDerWaalsContact CA-O 3.25Å; T522-W602 WeakPolarHBondContact CA-O 3.49Å; T522-T603 HydrophobicContact CG2-CG2 4.06Å
523	A	95.6	Very high	93.9	Very high	9 Å²	9	64.3 Å²	64.3	7%	0.074	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	116.5	170.4	0	0	0	0	0	108.5	A505 Q601 W602 W625	A505-A523 HydrophobicContact CB-CB 3.58Å; A523-Q601 WeakPolarHBondContact O-CA 3.44Å; A523-W602 PolarHBondContact N-O 2.98Å; A523-W602 PolarHBondContact O-N 3.26Å; A523-W625 HydrophobicContact CB-CH2 3.77Å; A523-W625 HydrophobicContact CB-CZ2 4.07Å
524	L	96.9	Very high	93.9	Very high	143 Å²	143	67.9 Å²	67.9	75%	0.749	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	127.2	168.2	179.6	63.5	0	0	0	107.7	G600 Q601	L524-G600 WeakPolarHBondContact CA-O 3.47Å; L524-Q601 HydrophobicContact CD1-CB 4.4Å
525	T	96.9	Very high	94.3	Very high	16 Å²	16	71.3 Å²	71.3	10%	0.098	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	143.4	-175.5	-167.7	0	0	0	0	112.3	A504 A527 G600 L629	A504-T525 HydrophobicContact CB-CG2 4.04Å; A504-T525 WeakPolarHBondContact O-CB 3.24Å; A504-T525 PolarHBondContact O-OG1 2.89Å; T525-A527 PolarHBondContact OG1-N 3.38Å; T525-G600 PolarHBondContact N-O 3.03Å; T525-G600 PolarHBondContact O-N 2.7Å; T525-L629 HydrophobicContact CG2-CD1 4.5Å
526	S	96.8	Very high	94.8	Very high	48 Å²	48	69.2 Å²	69.2	34%	0.336	36%	0.362	S	S	.	.			trans	-85.9	9.5	167.8	60.9	0	0	0	0	112.7	C528 A529	S526-C528 VanDerWaalsContact C-N 3.26Å; S526-C528 PolarHBondContact O-N 3Å; S526-A529 WeakPolarHBondContact O-CB 3.45Å; S526-A529 PolarHBondContact O-N 3.16Å; S526-A529 VanDerWaalsContact O-N 3.1Å
527	A	97.2	Very high	95.6	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	44.7	-177.8	0	0	0	0	0	113.3	T525 A529 R535 V536 A598 L629	T525-A527 PolarHBondContact OG1-N 3.38Å; A527-A529 PolarHBondContact O-N 3.16Å; A527-R535 WeakPolarHBondContact O-CA 3.36Å; A527-V536 WeakPolarHBondContact CB-O 3.07Å; A527-V536 PolarHBondContact O-N 2.77Å; A527-A598 HydrophobicContact CB-CB 3.48Å; A527-A598 VanDerWaalsContact CB-CB 3.48Å; A527-L629 HydrophobicContact CB-CD1 4.11Å
528	C	97.5	Very high	96.1	Very high	18 Å²	18	61.8 Å²	61.8	12%	0.122	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	63	33.2	-179.5	-57.4	0	0	0	0	114.3	C502 S526 E530 H531 Q534 R535	C502-C528 WeakPolarHBondContact CA-SG 3.05Å; C502-C528 HydrophobicContact CB-CB 3.76Å; C502-C528 WeakPolarHBondContact CB-SG 3.47Å; C502-C528 WeakPolarHBondContact SG-CB 3.38Å; C502-C528 PolarHBondContact SG-N 3.1Å; C502-C528 CovalentContact SG-SG 2.04Å; C502-C528 PolarHBondContact SG-SG 3.08Å; S526-C528 VanDerWaalsContact C-N 3.26Å; S526-C528 PolarHBondContact O-N 3Å; C528-E530 PolarHBondContact O-N 3.35Å; C528-H531 PolarHBondContact O-N 3.49Å; C528-Q534 HydrophobicContact CB-CB 4.09Å; C528-R535 WeakPolarHBondContact O-CB 2.99Å
529	A	95.6	Very high	96.3	Very high	31 Å²	31	59.3 Å²	59.3	26%	0.256	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-32.2	178	0	0	0	0	0	115	S526 A527 H531	S526-A529 WeakPolarHBondContact O-CB 3.45Å; S526-A529 PolarHBondContact O-N 3.16Å; S526-A529 VanDerWaalsContact O-N 3.1Å; A527-A529 PolarHBondContact O-N 3.16Å; A529-H531 VanDerWaalsContact C-N 3.29Å; A529-H531 PolarHBondContact O-N 2.96Å
530	E	94.9	Very high	96.4	Very high	155 Å²	155	58.3 Å²	58.3	72%	0.724	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-15.3	179.3	-43.5	-51.5	142.7	0	0	114.2	C528	C528-E530 PolarHBondContact O-N 3.35Å
531	H	94.6	Very high	96.5	Very high	100 Å²	100	50.9 Å²	50.9	46%	0.463	27%	0.272	S	S	.	.			trans	-123.1	96.6	-173.8	-62.8	-45.9	0	0	0	109.5	C528 A529 D533 Q534 R535	C528-H531 PolarHBondContact O-N 3.49Å; A529-H531 VanDerWaalsContact C-N 3.29Å; A529-H531 PolarHBondContact O-N 2.96Å; H531-D533 PolarHBondContact O-N 2.83Å; H531-D533 VanDerWaalsContact O-N 3.13Å; H531-Q534 HydrophobicContact CB-CB 4.05Å; H531-Q534 CarbonylContact O-C 3.56Å; H531-Q534 PolarHBondContact O-N 3.3Å; H531-R535 WeakPolarHBondContact O-CB 3.47Å; H531-R535 PolarHBondContact O-N 3.47Å
532	S	91.6	Very high	96.6	Very high	103 Å²	103	50.7 Å²	50.7	72%	0.72	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.1	-171.2	49.3	0	0	0	0	114.8	H500	H500-S532 PolarHBondContact CE1-O 3.04Å; H500-S532 VanDerWaalsContact CE1-O 3.22Å
533	D	92.8	Very high	96.8	Very high	98 Å²	98	47.5 Å²	47.5	52%	0.524	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-19.9	175.4	62.4	-53.1	0	0	0	114.2	H531	H531-D533 PolarHBondContact O-N 2.83Å; H531-D533 VanDerWaalsContact O-N 3.13Å
534	Q	96.3	Very high	96.9	Very high	74 Å²	74	47 Å²	47	35%	0.346	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-13.7	-177.2	-71.9	159.5	59.5	0	0	112.7	C502 C528 H531 V536	C502-Q534 WeakPolarHBondContact CB-O 3.37Å; C528-Q534 HydrophobicContact CB-CB 4.09Å; H531-Q534 HydrophobicContact CB-CB 4.05Å; H531-Q534 CarbonylContact O-C 3.56Å; H531-Q534 PolarHBondContact O-N 3.3Å; Q534-V536 PolarHBondContact O-N 3.05Å
535	R	97.8	Very high	97	Very high	105 Å²	105	43.9 Å²	43.9	40%	0.396	23%	0.226	S	C	.	.			trans	-57.6	118.1	-178.5	-179.1	177.8	-178.6	166.3	1.6	111.3	H500 A527 C528 H531 V537	H500-R535 PolarHBondContact ND1-O 2.83Å; A527-R535 WeakPolarHBondContact O-CA 3.36Å; C528-R535 WeakPolarHBondContact O-CB 2.99Å; H531-R535 WeakPolarHBondContact O-CB 3.47Å; H531-R535 PolarHBondContact O-N 3.47Å; R535-V537 HydrophobicContact CG-CG2 4.14Å
536	V	98.3	Very high	97	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	22%	0.221	C	C	.	.			trans	-105.8	125.8	169.7	179.3	0	0	0	0	107.9	H500 C502 A527 Q534 L539 A598	H500-V536 HydrophobicContact CB-CG2 3.97Å; C502-V536 HydrophobicContact CB-CG2 4.08Å; A527-V536 WeakPolarHBondContact CB-O 3.07Å; A527-V536 PolarHBondContact O-N 2.77Å; Q534-V536 PolarHBondContact O-N 3.05Å; V536-L539 HydrophobicContact CG1-CD2 4.04Å; V536-A598 HydrophobicContact CB-CB 4.37Å; V536-A598 HydrophobicContact CG1-CB 3.98Å; V536-A598 WeakPolarHBondContact O-CB 3.47Å
537	V	97.9	Very high	97.1	Very high	31 Å²	31	41.1 Å²	41.1	19%	0.188	21%	0.207	C	C	.	.	S	Bend	trans	-106.5	-46.5	173.3	178.6	0	0	0	0	109.9	R535 K597 A598 T632 A633	R535-V537 HydrophobicContact CG-CG2 4.14Å; V537-K597 VanDerWaalsContact O-CA 3.29Å; V537-K597 WeakPolarHBondContact O-CA 3.1Å; V537-A598 PolarHBondContact O-N 2.7Å; V537-T632 PolarHBondContact N-O 2.7Å; V537-A633 WeakPolarHBondContact CG2-O 3.01Å
538	Y	98.1	Very high	97.2	Very high	54 Å²	54	41.1 Å²	41.1	21%	0.212	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	127.1	179.6	-59	-81.3	0	0	0	110	E596 G631 T632 E634 H635	Y538-E596 WeakPolarHBondContact CA-O 3.47Å; Y538-G631 CarbonylContact O-C 3.58Å; Y538-G631 VanDerWaalsContact O-CA 3.25Å; Y538-G631 WeakPolarHBondContact O-CA 3.32Å; Y538-T632 PolarHBondContact N-O 2.8Å; Y538-T632 PolarHBondContact O-N 3.04Å; Y538-E634 WeakPolarHBondContact CD2-O 3.32Å; Y538-H635 AromaticContact CD1-CD2 3.93Å; Y538-H635 HydrophobicContact CD2-CB 4.26Å; Y538-H635 AromaticContact CE1-CD2 3.53Å; Y538-H635 HydrophobicContact CE2-CB 3.76Å; Y538-H635 AromaticContact CZ-CD2 3.69Å
539	L	98.7	Very high	97.1	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	146.3	-173.1	-65	172.8	0	0	0	113.6	V536 V542 C593 G595 E596 A598 W602 L629	V536-L539 HydrophobicContact CG1-CD2 4.04Å; L539-V542 HydrophobicContact CD1-CG2 3.91Å; L539-V542 HydrophobicContact CD2-CG2 4.01Å; L539-V542 HydrophobicContact CG-CG2 4.42Å; L539-C593 HydrophobicContact CD1-CB 3.81Å; L539-G595 PolarHBondContact O-N 3.43Å; L539-E596 HydrophobicContact CD1-CB 4.14Å; L539-E596 PolarHBondContact N-O 3.19Å; L539-A598 HydrophobicContact CD2-CB 3.57Å; L539-A598 HydrophobicContact CG-CB 4Å; L539-W602 HydrophobicContact CD1-CH2 3.65Å; L539-W602 HydrophobicContact CD1-CZ2 3.69Å; L539-L629 HydrophobicContact CD2-CB 3.98Å; L539-L629 HydrophobicContact CD2-CD1 4.4Å; L539-L629 HydrophobicContact CD2-CD2 4.13Å; L539-L629 HydrophobicContact CD2-CG 4.39Å
540	E	98.8	Very high	97.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-89.7	160.9	-71.5	157.7	-142.9	0	0	107.5	R443 H447 Q499 W594 Y630 G631	R443-E540 IonicContact CZ-OE1 2.71Å; R443-E540 IonicContact CZ-OE2 3.97Å; R443-E540 IonicContact NE-OE1 3.59Å; R443-E540 PolarHBondContact NE-OE1 3.41Å; R443-E540 IonicContact NE-OE2 3.33Å; R443-E540 PolarHBondContact NE-OE2 3.21Å; R443-E540 IonicContact NH2-OE1 2.75Å; R443-E540 PolarHBondContact NH2-OE1 3.26Å; R443-E540 IonicContact NH2-OE2 3.46Å; H447-E540 IonicContact NE2-OE1 3.73Å; Q499-E540 PolarHBondContact NE2-OE2 2.67Å; E540-W594 HydrophobicContact CB-CD2 4.37Å; E540-W594 HydrophobicContact CB-CE3 4.29Å; E540-W594 HydrophobicContact CB-CH2 3.87Å; E540-W594 HydrophobicContact CB-CZ2 3.95Å; E540-W594 HydrophobicContact CB-CZ3 4.06Å; E540-W594 HydrophobicContact CG-CH2 4.15Å; E540-W594 HydrophobicContact CG-CZ2 3.75Å; E540-W594 VanDerWaalsContact O-CE3 3.24Å; E540-Y630 PolarHBondContact N-O 2.82Å; E540-G631 WeakPolarHBondContact OE1-CA 3.36Å
541	H	98.8	Very high	97	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.009	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	146	175.4	-38.1	83.7	0	0	0	111.8	I364 Q446 M589 W594 Y630	I364-H541 HydrophobicContact CB-CB 4.23Å; I364-H541 HydrophobicContact CG2-CB 3.53Å; I364-H541 PolarHBondContact O-NE2 3.28Å; Q446-H541 PolarHBondContact OE1-CE1 2.88Å; Q446-H541 VanDerWaalsContact OE1-CE1 3.26Å; Q446-H541 PolarHBondContact OE1-NE2 3.04Å; H541-M589 HydrophobicContact CB-CG 4.46Å; H541-M589 HydrophobicContact CB-SD 4.34Å; H541-W594 AromaticContact CD2-CZ3 3.9Å; H541-W594 AromaticContact CE1-CH2 3.94Å; H541-W594 AromaticContact CE1-CZ3 3.99Å; H541-W594 AromaticContact NE2-CH2 3.88Å; H541-W594 AromaticContact NE2-CZ3 3.63Å; H541-Y630 HydrophobicContact CB-CD2 4.2Å; H541-Y630 HydrophobicContact CB-CG 4.47Å; H541-Y630 WeakPolarHBondContact O-CB 3.49Å; H541-Y630 PolarHBondContact O-N 2.57Å
542	V	98.8	Very high	97	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	126.5	168.9	176.3	0	0	0	0	108.9	L539 L560 M589 T590 C593 W602 L627 L629	L539-V542 HydrophobicContact CD1-CG2 3.91Å; L539-V542 HydrophobicContact CD2-CG2 4.01Å; L539-V542 HydrophobicContact CG-CG2 4.42Å; V542-L560 HydrophobicContact CG1-CD2 3.52Å; V542-M589 CarbonylContact O-C 3.43Å; V542-M589 WeakPolarHBondContact O-CA 3.13Å; V542-T590 HydrophobicContact CB-CG2 3.83Å; V542-T590 HydrophobicContact CG1-CG2 4.28Å; V542-T590 PolarHBondContact N-O 3.03Å; V542-T590 PolarHBondContact O-N 2.91Å; V542-C593 HydrophobicContact CG2-CB 4.13Å; V542-W602 HydrophobicContact CG1-CH2 4.15Å; V542-W602 HydrophobicContact CG1-CZ3 4Å; V542-W602 HydrophobicContact CG2-CH2 3.81Å; V542-W602 HydrophobicContact CG2-CZ3 4.4Å; V542-L627 HydrophobicContact CG1-CD1 3.84Å; V542-L629 HydrophobicContact CB-CD2 4.4Å; V542-L629 HydrophobicContact CG1-CD2 3.81Å; V542-L629 HydrophobicContact CG2-CD2 3.97Å
543	V	98.8	Very high	97.2	Very high	6 Å²	6	27.7 Å²	27.7	4%	0.036	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.2	-179	172.7	0	0	0	0	110.3	I364 E587 F588 M589 I628 Y630	I364-V543 HydrophobicContact CG2-CG2 4.02Å; V543-E587 HydrophobicContact CG1-CB 3.68Å; V543-E587 HydrophobicContact CG1-CG 4.01Å; V543-F588 CarbonylContact C-O 3.55Å; V543-F588 WeakPolarHBondContact CA-O 3.34Å; V543-M589 HydrophobicContact CG2-CB 4.19Å; V543-M589 HydrophobicContact CG2-CG 3.82Å; V543-I628 HydrophobicContact CB-CB 4.24Å; V543-I628 HydrophobicContact CG1-CD1 4.46Å; V543-I628 PolarHBondContact N-O 3.05Å; V543-I628 PolarHBondContact O-N 2.88Å; V543-Y630 HydrophobicContact CB-CE2 4.29Å; V543-Y630 HydrophobicContact CG2-CD2 4.38Å; V543-Y630 HydrophobicContact CG2-CE2 3.91Å
544	V	98.6	Very high	97.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	98.9	176	-179.6	0	0	0	0	108	T546 L560 L570 F588 L604 W625 S626 L627	V544-T546 HydrophobicContact CG1-CG2 3.85Å; V544-L560 HydrophobicContact CG2-CD1 3.96Å; V544-L560 HydrophobicContact CG2-CD2 3.65Å; V544-L560 HydrophobicContact CG2-CG 4.27Å; V544-L570 HydrophobicContact CB-CD1 3.81Å; V544-L570 HydrophobicContact CG1-CD1 4.28Å; V544-L570 HydrophobicContact CG2-CD1 3.76Å; V544-F588 PolarHBondContact N-O 2.82Å; V544-F588 PolarHBondContact O-N 3.13Å; V544-L604 HydrophobicContact CG1-CD1 4.18Å; V544-L604 HydrophobicContact CG1-CD2 4.21Å; V544-W625 HydrophobicContact CG1-CE3 4.06Å; V544-S626 WeakPolarHBondContact CA-O 3.07Å; V544-L627 HydrophobicContact CG2-CD1 4.1Å
545	R	98.5	Very high	97.4	Very high	76 Å²	76	19.7 Å²	19.7	29%	0.287	9%	0.093	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	129.9	174.1	-171.7	167	51.5	-127.8	-0	109.7	N585 W586 E587 W625 S626	R545-N585 HydrophobicContact CG-CB 4.4Å; R545-W586 CarbonylContact C-O 3.59Å; R545-W586 WeakPolarHBondContact CA-O 3.33Å; R545-E587 HydrophobicContact CB-CG 3.8Å; R545-E587 WeakPolarHBondContact CD-OE1 3.46Å; R545-E587 HydrophobicContact CG-CG 3.7Å; R545-E587 IonicContact CZ-OE1 3.87Å; R545-E587 IonicContact NE-OE1 3.47Å; R545-E587 IonicContact NH1-OE1 2.75Å; R545-E587 PolarHBondContact NH1-OE1 3.06Å; R545-W625 CarbonylContact O-C 3.57Å; R545-W625 WeakPolarHBondContact O-CA 3.26Å; R545-W625 WeakPolarHBondContact O-CB 3.38Å; R545-S626 PolarHBondContact N-O 3.11Å; R545-S626 PolarHBondContact O-N 2.88Å
546	T	97.7	Very high	97.3	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.006	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	148.1	-179.2	69.3	0	0	0	0	112.9	V544 N585 W586 F588 W625	V544-T546 HydrophobicContact CG1-CG2 3.85Å; T546-N585 CarbonylContact O-C 3.54Å; T546-N585 VanDerWaalsContact O-CA 3.28Å; T546-N585 WeakPolarHBondContact O-CA 3.34Å; T546-N585 PolarHBondContact O-N 3.12Å; T546-W586 PolarHBondContact N-O 3Å; T546-W586 PolarHBondContact O-N 2.81Å; T546-F588 HydrophobicContact CG2-CD2 4.31Å; T546-F588 HydrophobicContact CG2-CE2 4.48Å; T546-F588 WeakPolarHBondContact OG1-CE2 3.14Å; T546-W625 HydrophobicContact CG2-CB 4.2Å
547	S	98.3	Very high	97.3	Very high	5 Å²	5	16.2 Å²	16.2	4%	0.035	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	111.5	164.1	-77.8	0	0	0	0	108.4	F583 N585 K623 E624	S547-F583 CarbonylContact C-O 3.47Å; S547-F583 WeakPolarHBondContact CA-O 3.23Å; S547-N585 PolarHBondContact OG-N 3.31Å; S547-N585 PolarHBondContact OG-OD1 2.04Å; S547-N585 VanDerWaalsContact OG-OD1 3.08Å; S547-K623 WeakPolarHBondContact O-CB 3.43Å; S547-K623 PolarHBondContact O-N 2.94Å; S547-E624 PolarHBondContact N-O 3.43Å; S547-E624 PolarHBondContact O-N 3.05Å
548	I	98.1	Very high	97.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	122.9	-174.5	-60.1	166.8	0	0	0	108.6	I513 L556 I558 G582 F583 I606 K621 L622	I513-I548 HydrophobicContact CD1-CG2 3.74Å; I548-L556 HydrophobicContact CG2-CD1 4.03Å; I548-I558 HydrophobicContact CD1-CD1 3.84Å; I548-G582 CarbonylContact O-C 3.53Å; I548-G582 WeakPolarHBondContact O-CA 3.41Å; I548-F583 HydrophobicContact CB-CB 4.46Å; I548-F583 HydrophobicContact CB-CD2 4.49Å; I548-F583 HydrophobicContact CD1-CD2 4.37Å; I548-F583 PolarHBondContact N-O 3.03Å; I548-F583 PolarHBondContact O-N 3.47Å; I548-F583 VanDerWaalsContact O-O 3.1Å; I548-I606 HydrophobicContact CD1-CD1 3.97Å; I548-K621 WeakPolarHBondContact CA-O 3.38Å; I548-L622 HydrophobicContact CD1-CD1 4.31Å; I548-L622 HydrophobicContact CG1-CD1 3.64Å
549	S	97.1	Very high	97.4	Very high	40 Å²	40	13.7 Å²	13.7	28%	0.28	7%	0.068	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	129.8	164.8	45.3	0	0	0	0	109.9	K621 K623	S549-K621 PolarHBondContact N-O 3Å; S549-K621 PolarHBondContact O-N 2.72Å; S549-K623 WeakPolarHBondContact OG-CE 3.43Å
550	H	95.6	Very high	97.4	Very high	5 Å²	5	13.6 Å²	13.6	2%	0.023	7%	0.068	C	C	.	.			trans	-137.9	141.2	-176.4	-146.1	-105.8	0	0	0	111.7	R552 L556 N580 D608 G620	H550-R552 PolarHBondContact ND1-O 2.92Å; H550-R552 PolarHBondContact O-N 2.7Å; H550-L556 HydrophobicContact CB-CD1 4.1Å; H550-L556 WeakPolarHBondContact NE2-CD2 3.34Å; H550-N580 CarbonylContact O-C 3.6Å; H550-N580 VanDerWaalsContact O-CA 3.28Å; H550-N580 WeakPolarHBondContact O-CA 3.45Å; H550-D608 VanDerWaalsContact CE1-CG 3.42Å; H550-D608 IonicContact CE1-OD1 3.45Å; H550-D608 PolarHBondContact CE1-OD1 2.77Å; H550-D608 IonicContact CE1-OD2 2.73Å; H550-D608 VanDerWaalsContact NE2-CG 3.3Å; H550-D608 IonicContact NE2-OD1 2.69Å; H550-D608 PolarHBondContact NE2-OD1 2.94Å; H550-D608 IonicContact NE2-OD2 3.58Å; H550-D608 PolarHBondContact NE2-OD2 3.27Å; H550-G620 WeakPolarHBondContact CD2-CA 3.36Å
551	P	92.9	Very high	97.4	Very high	44 Å²	44	15 Å²	15	29%	0.286	8%	0.076	S	C	.	.	S	Bend	trans	-67.3	-23.3	176.3	31.1	-41	0	0	0	113.7	K618	P551-K618 WeakPolarHBondContact CG-O 3.08Å
552	R	94.1	Very high	97.4	Very high	20 Å²	20	15.1 Å²	15.1	8%	0.075	8%	0.077	C	C	.	.	S	Bend	trans	-157.7	101.9	178.2	174.9	156.4	172.2	-93.8	-6.9	109.8	H550 G554 D555 L575 D577 S579 S611	H550-R552 PolarHBondContact ND1-O 2.92Å; H550-R552 PolarHBondContact O-N 2.7Å; R552-G554 VanDerWaalsContact C-N 3.31Å; R552-G554 PolarHBondContact O-N 3.23Å; R552-D555 IonicContact CZ-OD1 3.13Å; R552-D555 IonicContact CZ-OD2 3.48Å; R552-D555 IonicContact NH1-OD1 3.81Å; R552-D555 PolarHBondContact NH1-OD1 2.98Å; R552-D555 IonicContact NH1-OD2 3.79Å; R552-D555 PolarHBondContact NH1-OD2 3.14Å; R552-D555 PolarHBondContact O-N 2.89Å; R552-L575 PolarHBondContact NH2-O 2.04Å; R552-D577 WeakPolarHBondContact CG-O 3.39Å; R552-S579 CarbonylContact C-O 3.48Å; R552-S579 VanDerWaalsContact CA-O 3.28Å; R552-S579 WeakPolarHBondContact CA-O 3.16Å; R552-S611 PolarHBondContact NH1-OG 2.98Å
553	R	96.2	Very high	97.3	Very high	17 Å²	17	17.2 Å²	17.2	6%	0.064	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-58.1	-38.4	-168.6	-178	168.9	65	-154.6	1.4	113	K313 D555 L556 D577 S579 E581 G582 F583	K313-R553 PolarHBondContact O-NH2 2.93Å; R553-D555 VanDerWaalsContact C-N 3.25Å; R553-D555 PolarHBondContact O-N 3.47Å; R553-D555 VanDerWaalsContact O-N 3.17Å; R553-L556 WeakPolarHBondContact O-CB 3.24Å; R553-L556 PolarHBondContact O-N 3.5Å; R553-L556 VanDerWaalsContact O-N 3.16Å; R553-D577 WeakPolarHBondContact CB-OD2 3.39Å; R553-D577 VanDerWaalsContact CG-OD2 3.26Å; R553-D577 WeakPolarHBondContact CG-OD2 3.22Å; R553-D577 IonicContact CZ-OD1 2.63Å; R553-D577 IonicContact CZ-OD2 3.34Å; R553-D577 IonicContact NE-OD1 2.66Å; R553-D577 PolarHBondContact NE-OD1 2.74Å; R553-D577 IonicContact NE-OD2 3.24Å; R553-D577 PolarHBondContact NE-OD2 2.56Å; R553-D577 IonicContact NH2-OD1 3.46Å; R553-D577 IonicContact NH2-OD2 3.63Å; R553-S579 WeakPolarHBondContact CB-O 3.43Å; R553-S579 PolarHBondContact N-O 2.88Å; R553-E581 IonicContact CZ-OE2 3.17Å; R553-E581 IonicContact NH1-OE2 2.75Å; R553-E581 PolarHBondContact NH1-OE2 2.87Å; R553-E581 VanDerWaalsContact NH1-OE2 3.12Å; R553-E581 IonicContact NH2-OE2 2.72Å; R553-G582 WeakPolarHBondContact CD-O 3.48Å; R553-G582 PolarHBondContact NH1-O 2.85Å; R553-G582 VanDerWaalsContact NH1-O 3.14Å; R553-F583 HydrophobicContact CG-CD2 4.29Å; R553-F583 HydrophobicContact CG-CE1 4.46Å; R553-F583 HydrophobicContact CG-CE2 3.58Å; R553-F583 HydrophobicContact CG-CZ 3.68Å
554	G	96.4	Very high	97.3	Very high	3 Å²	3	19.8 Å²	19.8	3%	0.031	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-64.7	-13.2	-180	0	0	0	0	0	117.7	R552 L556 K573 R574 D577	R552-G554 VanDerWaalsContact C-N 3.31Å; R552-G554 PolarHBondContact O-N 3.23Å; G554-L556 VanDerWaalsContact C-N 3.31Å; G554-K573 WeakPolarHBondContact O-CG 3.43Å; G554-R574 CarbonylContact C-O 3.19Å; G554-R574 WeakPolarHBondContact CA-O 3.45Å; G554-R574 PolarHBondContact O-N 3.14Å; G554-D577 WeakPolarHBondContact CA-O 3.47Å; G554-D577 PolarHBondContact N-O 3.41Å; G554-D577 VanDerWaalsContact N-O 3.09Å
555	D	95.4	Very high	97.3	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-82.7	-8.1	174.5	-76	-32.5	0	0	0	113.7	R552 R553 K573 L609 S611 R614	R552-D555 IonicContact CZ-OD1 3.13Å; R552-D555 IonicContact CZ-OD2 3.48Å; R552-D555 IonicContact NH1-OD1 3.81Å; R552-D555 PolarHBondContact NH1-OD1 2.98Å; R552-D555 IonicContact NH1-OD2 3.79Å; R552-D555 PolarHBondContact NH1-OD2 3.14Å; R552-D555 PolarHBondContact O-N 2.89Å; R553-D555 VanDerWaalsContact C-N 3.25Å; R553-D555 PolarHBondContact O-N 3.47Å; R553-D555 VanDerWaalsContact O-N 3.17Å; D555-K573 IonicContact OD1-NZ 2.61Å; D555-L609 PolarHBondContact O-N 3.19Å; D555-S611 WeakPolarHBondContact OD1-CB 3.34Å; D555-S611 PolarHBondContact OD1-N 3.45Å; D555-S611 PolarHBondContact OD1-OG 3Å; D555-R614 IonicContact OD2-NE 2.73Å; D555-R614 IonicContact OD2-NH2 3.09Å
556	L	97.1	Very high	97.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	147.6	177.4	-70.1	172.3	0	0	0	112.4	I513 I548 H550 R553 G554 L571 F583 I606 Q607 D608	I513-L556 HydrophobicContact CD1-CD2 4.13Å; I548-L556 HydrophobicContact CG2-CD1 4.03Å; H550-L556 HydrophobicContact CB-CD1 4.1Å; H550-L556 WeakPolarHBondContact NE2-CD2 3.34Å; R553-L556 WeakPolarHBondContact O-CB 3.24Å; R553-L556 PolarHBondContact O-N 3.5Å; R553-L556 VanDerWaalsContact O-N 3.16Å; G554-L556 VanDerWaalsContact C-N 3.31Å; L556-L571 HydrophobicContact CB-CD2 4.12Å; L556-F583 HydrophobicContact CD1-CD2 4.39Å; L556-F583 HydrophobicContact CD1-CE2 4.12Å; L556-I606 HydrophobicContact CD2-CG2 3.88Å; L556-Q607 WeakPolarHBondContact CA-O 3.02Å; L556-D608 HydrophobicContact CD2-CB 4.45Å
557	Q	97.5	Very high	97.3	Very high	33 Å²	33	22.7 Å²	22.7	15%	0.154	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	141.2	156.4	-63.9	-175.6	-17	0	0	109.1	Y559 L571 K573 I606 Q607 L609	Q557-Y559 HydrophobicContact CB-CE2 3.76Å; Q557-Y559 PolarHBondContact OE1-OH 2.75Å; Q557-L571 WeakPolarHBondContact CA-O 3.43Å; Q557-K573 HydrophobicContact CG-CB 3.98Å; Q557-I606 WeakPolarHBondContact O-CA 3.21Å; Q557-Q607 HydrophobicContact CB-CB 4.4Å; Q557-Q607 PolarHBondContact N-O 2.88Å; Q557-Q607 PolarHBondContact O-N 2.67Å; Q557-L609 HydrophobicContact CG-CD1 4.45Å
558	I	98.6	Very high	97.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	131.6	-177.8	-54.7	175.1	0	0	0	108.6	I548 L570 L571 F588 L604 E605 I606	I548-I558 HydrophobicContact CD1-CD1 3.84Å; I558-L570 HydrophobicContact CB-CB 4.27Å; I558-L570 HydrophobicContact CG2-CB 4.06Å; I558-L570 HydrophobicContact CG2-CD1 4.22Å; I558-L570 PolarHBondContact O-N 2.03Å; I558-L571 HydrophobicContact CB-CB 3.89Å; I558-L571 HydrophobicContact CD1-CB 4.16Å; I558-L571 HydrophobicContact CD1-CD2 3.87Å; I558-L571 HydrophobicContact CG1-CB 4.01Å; I558-L571 HydrophobicContact CG1-CD2 4.14Å; I558-L571 PolarHBondContact N-O 3.27Å; I558-L571 VanDerWaalsContact N-O 3.07Å; I558-L571 PolarHBondContact O-N 3.18Å; I558-L571 VanDerWaalsContact O-N 3.11Å; I558-F588 HydrophobicContact CD1-CD2 4.36Å; I558-F588 HydrophobicContact CD1-CE2 3.55Å; I558-F588 HydrophobicContact CD1-CZ 3.72Å; I558-L604 HydrophobicContact CG2-CD1 3.59Å; I558-E605 WeakPolarHBondContact CA-O 3.01Å; I558-I606 HydrophobicContact CG1-CG1 4.42Å; I558-I606 HydrophobicContact CG1-CG2 4.4Å; I558-I606 HydrophobicContact CG2-CG1 4.41Å
559	Y	98.7	Very high	97.3	Very high	32 Å²	32	24.1 Å²	24.1	13%	0.125	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	146.8	177.4	-53.4	-94.2	0	0	0	111	Q557 K567 S568 Q569 E605	Q557-Y559 HydrophobicContact CB-CE2 3.76Å; Q557-Y559 PolarHBondContact OE1-OH 2.75Å; Y559-K567 VanDerWaalsContact CB-CE 3.41Å; Y559-K567 HydrophobicContact CD1-CD 4.47Å; Y559-K567 HydrophobicContact CD1-CG 4.42Å; Y559-K567 VanDerWaalsContact CG-CE 3.43Å; Y559-S568 CarbonylContact C-O 3.17Å; Y559-S568 VanDerWaalsContact CA-O 3.25Å; Y559-S568 WeakPolarHBondContact CA-O 3.47Å; Y559-S568 WeakPolarHBondContact CB-O 3.31Å; Y559-Q569 HydrophobicContact CD1-CB 3.73Å; Y559-Q569 HydrophobicContact CD1-CG 3.85Å; Y559-Q569 HydrophobicContact CE1-CB 3.75Å; Y559-Q569 HydrophobicContact CE1-CG 3.55Å; Y559-Q569 PolarHBondContact OH-NE2 2.86Å; Y559-E605 PolarHBondContact N-O 2.55Å; Y559-E605 PolarHBondContact O-N 3.24Å
560	L	98.7	Very high	97.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	136.3	169.9	-175.8	70.4	0	0	0	109.5	V542 V544 K567 S568 L570 T590 W602 T603 L627	V542-L560 HydrophobicContact CG1-CD2 3.52Å; V544-L560 HydrophobicContact CG2-CD1 3.96Å; V544-L560 HydrophobicContact CG2-CD2 3.65Å; V544-L560 HydrophobicContact CG2-CG 4.27Å; L560-K567 CarbonylContact O-C 3.56Å; L560-K567 WeakPolarHBondContact O-CA 3.29Å; L560-S568 PolarHBondContact N-O 2.81Å; L560-S568 PolarHBondContact O-N 3.2Å; L560-L570 HydrophobicContact CB-CD1 3.8Å; L560-L570 HydrophobicContact CB-CG 4.16Å; L560-T590 HydrophobicContact CD2-CG2 4.2Å; L560-W602 HydrophobicContact CD1-CE3 3.94Å; L560-W602 HydrophobicContact CD2-CE3 3.74Å; L560-W602 HydrophobicContact CD2-CZ3 3.62Å; L560-W602 HydrophobicContact CG-CE3 3.83Å; L560-W602 HydrophobicContact CG-CZ3 4.06Å; L560-T603 CarbonylContact C-O 2.96Å; L560-T603 WeakPolarHBondContact CA-O 3.35Å; L560-L627 HydrophobicContact CD2-CD1 4.43Å
561	V	98.7	Very high	97.5	Very high	30 Å²	30	22.1 Å²	22.1	18%	0.182	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.7	172.1	-168.5	0	0	0	0	109	T566 K567 W602 T603	V561-T566 WeakPolarHBondContact CA-O 3.44Å; V561-K567 HydrophobicContact CG2-CB 4.25Å; V561-K567 HydrophobicContact CG2-CD 4.23Å; V561-K567 HydrophobicContact CG2-CG 4.03Å; V561-W602 WeakPolarHBondContact O-CA 3.28Å; V561-T603 PolarHBondContact N-O 3.09Å; V561-T603 PolarHBondContact O-N 3Å
562	S	98.6	Very high	97.7	Very high	4 Å²	4	21 Å²	21	3%	0.028	13%	0.126	C	C	.	.			trans	-75.7	165	175.5	79.8	0	0	0	0	112.5	S564 G565 T566 E596	S562-S564 PolarHBondContact O-N 3.11Å; S562-S564 PolarHBondContact OG-N 3.1Å; S562-G565 PolarHBondContact O-N 3.36Å; S562-G565 PolarHBondContact OG-N 2.85Å; S562-T566 PolarHBondContact N-O 3.43Å; S562-T566 WeakPolarHBondContact OG-CB 3.43Å; S562-T566 PolarHBondContact OG-N 2.82Å; S562-T566 VanDerWaalsContact OG-N 3.09Å; S562-E596 VanDerWaalsContact CB-OE2 3.3Å; S562-E596 WeakPolarHBondContact CB-OE2 3.33Å; S562-E596 PolarHBondContact OG-OE2 3.28Å
563	P	98.5	Very high	97.8	Very high	45 Å²	45	22.8 Å²	22.8	29%	0.292	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-28	172.6	-26.3	36	0	0	0	113.7	G565 E599 Q601 W602	P563-G565 VanDerWaalsContact C-N 3.27Å; P563-G565 PolarHBondContact O-N 2.86Å; P563-E599 WeakPolarHBondContact CB-O 3.1Å; P563-E599 WeakPolarHBondContact CG-O 3.14Å; P563-Q601 WeakPolarHBondContact CA-O 3.38Å; P563-W602 VanDerWaalsContact CD-CE2 3.41Å; P563-W602 HydrophobicContact CG-CD2 4.39Å; P563-W602 HydrophobicContact CG-CG 4.39Å; P563-W602 HydrophobicContact CG-CZ2 4.38Å
564	S	98	Very high	97.8	Very high	60 Å²	60	22.1 Å²	22.1	42%	0.42	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-4.1	175.5	-30.7	0	0	0	0	113.7	S562 E596	S562-S564 PolarHBondContact O-N 3.11Å; S562-S564 PolarHBondContact OG-N 3.1Å; S564-E596 WeakPolarHBondContact CB-OE2 3.16Å; S564-E596 PolarHBondContact OG-OE2 2.84Å
565	G	98	Very high	97.6	Very high	50 Å²	50	26.8 Å²	26.8	52%	0.515	16%	0.156	S	C	.	.			trans	90.4	3.4	-178	0	0	0	0	0	115.6	S562 P563 K567	S562-G565 PolarHBondContact O-N 3.36Å; S562-G565 PolarHBondContact OG-N 2.85Å; P563-G565 VanDerWaalsContact C-N 3.27Å; P563-G565 PolarHBondContact O-N 2.86Å; G565-K567 PolarHBondContact O-N 2.9Å
566	T	98.6	Very high	97.6	Very high	16 Å²	16	30.1 Å²	30.1	10%	0.098	17%	0.173	C	C	.	.			trans	-69.4	114.3	179.7	-64	0	0	0	0	110.4	N466 G467 V561 S562 H592 E596	N466-T566 WeakPolarHBondContact CA-OG1 3.44Å; N466-T566 HydrophobicContact CB-CG2 4.1Å; G467-T566 PolarHBondContact N-OG1 2.97Å; V561-T566 WeakPolarHBondContact CA-O 3.44Å; S562-T566 PolarHBondContact N-O 3.43Å; S562-T566 WeakPolarHBondContact OG-CB 3.43Å; S562-T566 PolarHBondContact OG-N 2.82Å; S562-T566 VanDerWaalsContact OG-N 3.09Å; T566-H592 HydrophobicContact CG2-CB 4.32Å; T566-E596 WeakPolarHBondContact CB-OE1 3.23Å; T566-E596 PolarHBondContact OG1-OE1 3.11Å
567	K	98.4	Very high	97.6	Very high	71 Å²	71	30.2 Å²	30.2	31%	0.309	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	105.8	178.8	-173.4	169.3	-170.8	175.1	0	111.7	Y559 L560 V561 G565 E605	Y559-K567 VanDerWaalsContact CB-CE 3.41Å; Y559-K567 HydrophobicContact CD1-CD 4.47Å; Y559-K567 HydrophobicContact CD1-CG 4.42Å; Y559-K567 VanDerWaalsContact CG-CE 3.43Å; L560-K567 CarbonylContact O-C 3.56Å; L560-K567 WeakPolarHBondContact O-CA 3.29Å; V561-K567 HydrophobicContact CG2-CB 4.25Å; V561-K567 HydrophobicContact CG2-CD 4.23Å; V561-K567 HydrophobicContact CG2-CG 4.03Å; G565-K567 PolarHBondContact O-N 2.9Å; K567-E605 WeakPolarHBondContact CE-OE2 3.14Å; K567-E605 IonicContact NZ-OE2 3.47Å; K567-E605 PolarHBondContact NZ-OE2 2.96Å
568	S	98.5	Very high	97.4	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	138.3	168.9	-54.5	0	0	0	0	110.4	Y559 L560 T590	Y559-S568 CarbonylContact C-O 3.17Å; Y559-S568 VanDerWaalsContact CA-O 3.25Å; Y559-S568 WeakPolarHBondContact CA-O 3.47Å; Y559-S568 WeakPolarHBondContact CB-O 3.31Å; L560-S568 PolarHBondContact N-O 2.81Å; L560-S568 PolarHBondContact O-N 3.2Å; S568-T590 WeakPolarHBondContact CB-OG1 3.34Å; S568-T590 PolarHBondContact OG-OG1 2.99Å
569	Q	98.4	Very high	97.3	Very high	36 Å²	36	35 Å²	35	17%	0.168	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	115.1	163.4	-174.6	159.5	7.9	0	0	108.4	Y354 A386 H474 Y559 L571 A572	Y354-Q569 WeakPolarHBondContact OH-CB 3.45Å; Y354-Q569 WeakPolarHBondContact OH-CG 3.49Å; Y354-Q569 PolarHBondContact OH-O 2.91Å; Y354-Q569 VanDerWaalsContact OH-O 3.13Å; A386-Q569 WeakPolarHBondContact CB-O 3.45Å; H474-Q569 PolarHBondContact NE2-N 2.94Å; Y559-Q569 HydrophobicContact CD1-CB 3.73Å; Y559-Q569 HydrophobicContact CD1-CG 3.85Å; Y559-Q569 HydrophobicContact CE1-CB 3.75Å; Y559-Q569 HydrophobicContact CE1-CG 3.55Å; Y559-Q569 PolarHBondContact OH-NE2 2.86Å; Q569-L571 PolarHBondContact NE2-O 3.23Å; Q569-A572 VanDerWaalsContact NE2-CA 3.33Å
570	L	98.6	Very high	97.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-31.7	-179.4	-65.6	-176.4	0	0	0	111.5	S356 V544 I558 L560 F588 T590	S356-L570 WeakPolarHBondContact CB-O 3.27Å; S356-L570 PolarHBondContact OG-O 3.06Å; V544-L570 HydrophobicContact CB-CD1 3.81Å; V544-L570 HydrophobicContact CG1-CD1 4.28Å; V544-L570 HydrophobicContact CG2-CD1 3.76Å; I558-L570 HydrophobicContact CB-CB 4.27Å; I558-L570 HydrophobicContact CG2-CB 4.06Å; I558-L570 HydrophobicContact CG2-CD1 4.22Å; I558-L570 PolarHBondContact O-N 2.03Å; L560-L570 HydrophobicContact CB-CD1 3.8Å; L560-L570 HydrophobicContact CB-CG 4.16Å; L570-F588 HydrophobicContact CB-CB 3.92Å; L570-F588 HydrophobicContact CB-CD1 4.41Å; L570-F588 HydrophobicContact CB-CG 4.19Å; L570-F588 HydrophobicContact CD1-CB 4.01Å; L570-F588 HydrophobicContact CD2-CB 4.25Å; L570-F588 HydrophobicContact CG-CB 4.28Å; L570-F588 WeakPolarHBondContact O-CD1 3.24Å; L570-T590 HydrophobicContact CD2-CG2 4.09Å
571	L	98.4	Very high	96.9	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	127.6	174.6	-179.2	62.4	0	0	0	110.1	L556 Q557 I558 Q569 F583 F588	L556-L571 HydrophobicContact CB-CD2 4.12Å; Q557-L571 WeakPolarHBondContact CA-O 3.43Å; I558-L571 HydrophobicContact CB-CB 3.89Å; I558-L571 HydrophobicContact CD1-CB 4.16Å; I558-L571 HydrophobicContact CD1-CD2 3.87Å; I558-L571 HydrophobicContact CG1-CB 4.01Å; I558-L571 HydrophobicContact CG1-CD2 4.14Å; I558-L571 PolarHBondContact N-O 3.27Å; I558-L571 VanDerWaalsContact N-O 3.07Å; I558-L571 PolarHBondContact O-N 3.18Å; I558-L571 VanDerWaalsContact O-N 3.11Å; Q569-L571 PolarHBondContact NE2-O 3.23Å; L571-F583 HydrophobicContact CD2-CE2 3.61Å; L571-F583 HydrophobicContact CD2-CZ 3.58Å; L571-F588 HydrophobicContact CB-CE1 4.04Å; L571-F588 HydrophobicContact CB-CZ 4.38Å; L571-F588 HydrophobicContact CD1-CE1 4.41Å; L571-F588 HydrophobicContact CD2-CE1 4.46Å; L571-F588 HydrophobicContact CD2-CZ 4.22Å
572	A	96.4	Very high	96.8	Very high	20 Å²	20	44.1 Å²	44.1	17%	0.165	25%	0.248	C	C	.	.			trans	-91.5	170.2	163.9	0	0	0	0	0	112.5	Y354 Q569 R574	Y354-A572 HydrophobicContact CD1-CB 4.48Å; Y354-A572 HydrophobicContact CD2-CB 3.23Å; Y354-A572 HydrophobicContact CE2-CB 3.35Å; Y354-A572 HydrophobicContact CG-CB 3.85Å; Q569-A572 VanDerWaalsContact NE2-CA 3.33Å; A572-R574 PolarHBondContact O-N 2.84Å
573	K	95.3	Very high	96.7	Very high	58 Å²	58	44.1 Å²	44.1	25%	0.252	25%	0.248	S	C	.	.			trans	-78.8	105	-175.3	-169.3	-170.5	-162.1	-169.3	0	110.5	G554 D555 Q557 L575 L609 S611	G554-K573 WeakPolarHBondContact O-CG 3.43Å; D555-K573 IonicContact OD1-NZ 2.61Å; Q557-K573 HydrophobicContact CG-CB 3.98Å; K573-L575 HydrophobicContact CD-CD2 4.14Å; K573-L575 HydrophobicContact CG-CD2 4.48Å; K573-L575 PolarHBondContact O-N 2.79Å; K573-L609 WeakPolarHBondContact CE-O 3.4Å; K573-L609 PolarHBondContact NZ-O 2.03Å; K573-S611 WeakPolarHBondContact CE-OG 3.36Å; K573-S611 PolarHBondContact NZ-OG 2.75Å
574	R	96.1	Very high	96.6	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.008	26%	0.264	C	S	.	.			trans	-90.2	103.5	179.6	-55.2	-162.5	-57.9	165.9	3.2	110.8	K313 T314 G352 D353 G554 A572 L576 D577	K313-R574 PolarHBondContact O-NH2 2.74Å; T314-R574 VanDerWaalsContact O-CZ 3.25Å; T314-R574 PolarHBondContact O-NH1 2.82Å; T314-R574 PolarHBondContact O-NH2 2.88Å; G352-R574 WeakPolarHBondContact O-CG 3.16Å; D353-R574 VanDerWaalsContact CG-NH1 3.34Å; D353-R574 WeakPolarHBondContact OD1-CD 3.36Å; D353-R574 IonicContact OD1-CZ 2.62Å; D353-R574 IonicContact OD1-NE 3.3Å; D353-R574 IonicContact OD1-NH1 2.98Å; D353-R574 PolarHBondContact OD1-NH1 3Å; D353-R574 IonicContact OD2-NH1 3.33Å; D353-R574 PolarHBondContact OD2-NH1 2.7Å; G554-R574 CarbonylContact C-O 3.19Å; G554-R574 WeakPolarHBondContact CA-O 3.45Å; G554-R574 PolarHBondContact O-N 3.14Å; A572-R574 PolarHBondContact O-N 2.84Å; R574-L576 PolarHBondContact O-N 3.44Å; R574-D577 HydrophobicContact CB-CB 4.03Å; R574-D577 IonicContact CZ-OD2 3.94Å; R574-D577 IonicContact NE-OD2 3.41Å; R574-D577 IonicContact NH2-OD2 3.99Å; R574-D577 PolarHBondContact NH2-OD2 2.72Å; R574-D577 PolarHBondContact O-N 3.21Å
575	L	93.4	Very high	96.6	Very high	102 Å²	102	48.1 Å²	48.1	53%	0.534	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-28	-171	-66.4	177.7	0	0	0	113.8	R552 K573 S611	R552-L575 PolarHBondContact NH2-O 2.04Å; K573-L575 HydrophobicContact CD-CD2 4.14Å; K573-L575 HydrophobicContact CG-CD2 4.48Å; K573-L575 PolarHBondContact O-N 2.79Å; L575-S611 WeakPolarHBondContact CD2-OG 3.35Å
576	L	94.5	Very high	96.6	Very high	71 Å²	71	47.5 Å²	47.5	37%	0.372	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-19.5	-179.2	-59.1	-176.1	0	0	0	113.3	D311 K313 E351 R574 L578	D311-L576 WeakPolarHBondContact O-CD1 3.36Å; K313-L576 HydrophobicContact CD-CB 4.25Å; K313-L576 HydrophobicContact CG-CB 3.72Å; K313-L576 WeakPolarHBondContact CG-O 3.26Å; E351-L576 HydrophobicContact CB-CD1 4.05Å; E351-L576 VanDerWaalsContact O-CD1 3.28Å; E351-L576 WeakPolarHBondContact O-CD1 3.3Å; E351-L576 WeakPolarHBondContact O-CG 3.48Å; R574-L576 PolarHBondContact O-N 3.44Å; L576-L578 WeakPolarHBondContact O-CG 3.24Å; L576-L578 PolarHBondContact O-N 3.44Å
577	D	96.9	Very high	96.5	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.011	26%	0.26	C	S	.	.			trans	-72.3	96.9	-178.8	-174	-8.1	0	0	0	111.3	G312 R552 R553 G554 R574 S579	G312-D577 PolarHBondContact O-N 3.4Å; G312-D577 VanDerWaalsContact O-N 3.14Å; R552-D577 WeakPolarHBondContact CG-O 3.39Å; R553-D577 WeakPolarHBondContact CB-OD2 3.39Å; R553-D577 VanDerWaalsContact CG-OD2 3.26Å; R553-D577 WeakPolarHBondContact CG-OD2 3.22Å; R553-D577 IonicContact CZ-OD1 2.63Å; R553-D577 IonicContact CZ-OD2 3.34Å; R553-D577 IonicContact NE-OD1 2.66Å; R553-D577 PolarHBondContact NE-OD1 2.74Å; R553-D577 IonicContact NE-OD2 3.24Å; R553-D577 PolarHBondContact NE-OD2 2.56Å; R553-D577 IonicContact NH2-OD1 3.46Å; R553-D577 IonicContact NH2-OD2 3.63Å; G554-D577 WeakPolarHBondContact CA-O 3.47Å; G554-D577 PolarHBondContact N-O 3.41Å; G554-D577 VanDerWaalsContact N-O 3.09Å; R574-D577 HydrophobicContact CB-CB 4.03Å; R574-D577 IonicContact CZ-OD2 3.94Å; R574-D577 IonicContact NE-OD2 3.41Å; R574-D577 IonicContact NH2-OD2 3.99Å; R574-D577 PolarHBondContact NH2-OD2 2.72Å; R574-D577 PolarHBondContact O-N 3.21Å; D577-S579 WeakPolarHBondContact OD1-CB 3.4Å; D577-S579 PolarHBondContact OD1-N 3.31Å
578	L	94.9	Very high	96.5	Very high	111 Å²	111	46.9 Å²	46.9	58%	0.581	25%	0.245	S	C	*	.			trans	-91.1	1.5	177.3	-48.3	-169	0	0	0	113.1	L576	L576-L578 WeakPolarHBondContact O-CG 3.24Å; L576-L578 PolarHBondContact O-N 3.44Å
579	S	95.9	Very high	96.6	Very high	22 Å²	22	47 Å²	47	15%	0.154	25%	0.246	C	C	.	.			trans	-64.4	141.5	-170.2	175.2	0	0	0	0	112.8	R552 R553 D577 E581	R552-S579 CarbonylContact C-O 3.48Å; R552-S579 VanDerWaalsContact CA-O 3.28Å; R552-S579 WeakPolarHBondContact CA-O 3.16Å; R553-S579 WeakPolarHBondContact CB-O 3.43Å; R553-S579 PolarHBondContact N-O 2.88Å; D577-S579 WeakPolarHBondContact OD1-CB 3.4Å; D577-S579 PolarHBondContact OD1-N 3.31Å; S579-E581 WeakPolarHBondContact OG-CB 3.41Å; S579-E581 VanDerWaalsContact OG-CD 3.27Å; S579-E581 VanDerWaalsContact OG-CG 3.29Å; S579-E581 WeakPolarHBondContact OG-CG 3.2Å; S579-E581 PolarHBondContact OG-N 3.22Å; S579-E581 VanDerWaalsContact OG-N 3.12Å; S579-E581 PolarHBondContact OG-OE2 3.4Å
580	N	94.1	Very high	96.6	Very high	121 Å²	121	45.3 Å²	45.3	65%	0.647	24%	0.238	S	C	*	.	S	Bend	trans	-100.8	3.5	174.4	65.5	5.7	0	0	0	113.6	H550 G582	H550-N580 CarbonylContact O-C 3.6Å; H550-N580 VanDerWaalsContact O-CA 3.28Å; H550-N580 WeakPolarHBondContact O-CA 3.45Å; N580-G582 VanDerWaalsContact C-N 3.33Å
581	E	94.8	Very high	96.6	Very high	128 Å²	128	45.4 Å²	45.4	60%	0.598	24%	0.238	S	C	*	.	S	Bend	trans	-71	-34.3	178.9	-57.6	158.3	139.5	0	0	110.9	R553 S579	R553-E581 IonicContact CZ-OE2 3.17Å; R553-E581 IonicContact NH1-OE2 2.75Å; R553-E581 PolarHBondContact NH1-OE2 2.87Å; R553-E581 VanDerWaalsContact NH1-OE2 3.12Å; R553-E581 IonicContact NH2-OE2 2.72Å; S579-E581 WeakPolarHBondContact OG-CB 3.41Å; S579-E581 VanDerWaalsContact OG-CD 3.27Å; S579-E581 VanDerWaalsContact OG-CG 3.29Å; S579-E581 WeakPolarHBondContact OG-CG 3.2Å; S579-E581 PolarHBondContact OG-N 3.22Å; S579-E581 VanDerWaalsContact OG-N 3.12Å; S579-E581 PolarHBondContact OG-OE2 3.4Å
582	G	95.6	Very high	96.6	Very high	4 Å²	4	45.5 Å²	45.5	4%	0.041	24%	0.238	C	C	.	.			trans	67.5	-136	-170.7	0	0	0	0	0	111.7	I548 R553 N580	I548-G582 CarbonylContact O-C 3.53Å; I548-G582 WeakPolarHBondContact O-CA 3.41Å; R553-G582 WeakPolarHBondContact CD-O 3.48Å; R553-G582 PolarHBondContact NH1-O 2.85Å; R553-G582 VanDerWaalsContact NH1-O 3.14Å; N580-G582 VanDerWaalsContact C-N 3.33Å
583	F	98.2	Very high	96.7	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.018	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	135.9	-179.1	-63.9	-78.2	0	0	0	109.6	V315 S547 I548 R553 L556 L571 W586 F588	V315-F583 HydrophobicContact CG1-CD1 4.13Å; V315-F583 HydrophobicContact CG1-CE1 3.87Å; V315-F583 HydrophobicContact CG2-CE1 3.93Å; S547-F583 CarbonylContact C-O 3.47Å; S547-F583 WeakPolarHBondContact CA-O 3.23Å; I548-F583 HydrophobicContact CB-CB 4.46Å; I548-F583 HydrophobicContact CB-CD2 4.49Å; I548-F583 HydrophobicContact CD1-CD2 4.37Å; I548-F583 PolarHBondContact N-O 3.03Å; I548-F583 PolarHBondContact O-N 3.47Å; I548-F583 VanDerWaalsContact O-O 3.1Å; R553-F583 HydrophobicContact CG-CD2 4.29Å; R553-F583 HydrophobicContact CG-CE1 4.46Å; R553-F583 HydrophobicContact CG-CE2 3.58Å; R553-F583 HydrophobicContact CG-CZ 3.68Å; L556-F583 HydrophobicContact CD1-CD2 4.39Å; L556-F583 HydrophobicContact CD1-CE2 4.12Å; L571-F583 HydrophobicContact CD2-CE2 3.61Å; L571-F583 HydrophobicContact CD2-CZ 3.58Å; F583-W586 HydrophobicContact CB-CB 3.88Å; F583-W586 HydrophobicContact CD1-CB 3.71Å; F583-W586 AromaticContact CD1-CD1 3.96Å; F583-W586 HydrophobicContact CD1-CD2 4.42Å; F583-W586 AromaticContact CD1-CG 3.73Å; F583-W586 HydrophobicContact CD1-CG 3.73Å; F583-W586 HydrophobicContact CE1-CG 4.32Å; F583-W586 HydrophobicContact CG-CB 4.19Å; F583-F588 AromaticContact CD1-CZ 3.94Å; F583-F588 HydrophobicContact CD1-CZ 3.94Å; F583-F588 HydrophobicContact CD2-CZ 4.24Å; F583-F588 HydrophobicContact CE1-CE1 4.23Å; F583-F588 AromaticContact CE1-CZ 3.67Å; F583-F588 HydrophobicContact CE1-CZ 3.67Å; F583-F588 AromaticContact CE2-CZ 4Å; F583-F588 HydrophobicContact CE2-CZ 4Å; F583-F588 HydrophobicContact CG-CZ 4.21Å; F583-F588 HydrophobicContact CZ-CE1 4.35Å; F583-F588 AromaticContact CZ-CZ 3.72Å; F583-F588 HydrophobicContact CZ-CZ 3.72Å
584	T	96.7	Very high	96.9	Very high	104 Å²	104	41.8 Å²	41.8	64%	0.638	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.5	108.3	176.6	-64.7	0	0	0	0	108.9	W586	T584-W586 PolarHBondContact O-N 3.41Å; T584-W586 VanDerWaalsContact O-N 3.15Å
585	N	96	Very high	96.9	Very high	85 Å²	85	42.5 Å²	42.5	46%	0.455	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	50.6	31.1	-172.2	-66.4	-36	0	0	0	114	R545 T546 S547 E587	R545-N585 HydrophobicContact CG-CB 4.4Å; T546-N585 CarbonylContact O-C 3.54Å; T546-N585 VanDerWaalsContact O-CA 3.28Å; T546-N585 WeakPolarHBondContact O-CA 3.34Å; T546-N585 PolarHBondContact O-N 3.12Å; S547-N585 PolarHBondContact OG-N 3.31Å; S547-N585 PolarHBondContact OG-OD1 2.04Å; S547-N585 VanDerWaalsContact OG-OD1 3.08Å; N585-E587 PolarHBondContact O-N 3.49Å
586	W	98.3	Very high	97.2	Very high	38 Å²	38	37.8 Å²	37.8	14%	0.144	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	130.7	177.8	-169	-99.8	0	0	0	110.1	V315 D316 S356 C357 R545 T546 F583 T584 F588	V315-W586 HydrophobicContact CG1-CD2 3.74Å; V315-W586 HydrophobicContact CG1-CE3 3.66Å; V315-W586 HydrophobicContact CG1-CH2 3.81Å; V315-W586 HydrophobicContact CG1-CZ2 3.89Å; V315-W586 HydrophobicContact CG1-CZ3 3.68Å; D316-W586 WeakPolarHBondContact O-CH2 3.41Å; S356-W586 PolarHBondContact O-NE1 2.89Å; C357-W586 WeakPolarHBondContact O-CH2 3.04Å; C357-W586 WeakPolarHBondContact O-CZ2 3.25Å; R545-W586 CarbonylContact C-O 3.59Å; R545-W586 WeakPolarHBondContact CA-O 3.33Å; T546-W586 PolarHBondContact N-O 3Å; T546-W586 PolarHBondContact O-N 2.81Å; F583-W586 HydrophobicContact CB-CB 3.88Å; F583-W586 HydrophobicContact CD1-CB 3.71Å; F583-W586 AromaticContact CD1-CD1 3.96Å; F583-W586 HydrophobicContact CD1-CD2 4.42Å; F583-W586 AromaticContact CD1-CG 3.73Å; F583-W586 HydrophobicContact CD1-CG 3.73Å; F583-W586 HydrophobicContact CE1-CG 4.32Å; F583-W586 HydrophobicContact CG-CB 4.19Å; T584-W586 PolarHBondContact O-N 3.41Å; T584-W586 VanDerWaalsContact O-N 3.15Å; W586-F588 AromaticContact CD1-CD1 3.7Å; W586-F588 AromaticContact CD1-CD2 3.93Å; W586-F588 AromaticContact CD1-CE1 3.49Å; W586-F588 VanDerWaalsContact CD1-CE1 3.49Å; W586-F588 AromaticContact CD1-CE2 3.74Å; W586-F588 AromaticContact CD1-CG 3.92Å; W586-F588 AromaticContact CD1-CZ 3.51Å; W586-F588 HydrophobicContact CG-CZ 4.47Å; W586-F588 AromaticContact NE1-CD1 3.82Å; W586-F588 AromaticContact NE1-CE1 3.7Å
587	E	98.1	Very high	97.3	Very high	73 Å²	73	40.7 Å²	40.7	34%	0.341	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	104.5	-177	-72.1	-173	154.3	0	0	108.7	N362 V543 R545 N585	N362-E587 PolarHBondContact ND2-O 3.35Å; V543-E587 HydrophobicContact CG1-CB 3.68Å; V543-E587 HydrophobicContact CG1-CG 4.01Å; R545-E587 HydrophobicContact CB-CG 3.8Å; R545-E587 WeakPolarHBondContact CD-OE1 3.46Å; R545-E587 HydrophobicContact CG-CG 3.7Å; R545-E587 IonicContact CZ-OE1 3.87Å; R545-E587 IonicContact NE-OE1 3.47Å; R545-E587 IonicContact NH1-OE1 2.75Å; R545-E587 PolarHBondContact NH1-OE1 3.06Å; N585-E587 PolarHBondContact O-N 3.49Å
588	F	98.6	Very high	97.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	132.1	172.7	-65.2	-78.1	0	0	0	110	V543 V544 T546 I558 L570 L571 F583 W586	V543-F588 CarbonylContact C-O 3.55Å; V543-F588 WeakPolarHBondContact CA-O 3.34Å; V544-F588 PolarHBondContact N-O 2.82Å; V544-F588 PolarHBondContact O-N 3.13Å; T546-F588 HydrophobicContact CG2-CD2 4.31Å; T546-F588 HydrophobicContact CG2-CE2 4.48Å; T546-F588 WeakPolarHBondContact OG1-CE2 3.14Å; I558-F588 HydrophobicContact CD1-CD2 4.36Å; I558-F588 HydrophobicContact CD1-CE2 3.55Å; I558-F588 HydrophobicContact CD1-CZ 3.72Å; L570-F588 HydrophobicContact CB-CB 3.92Å; L570-F588 HydrophobicContact CB-CD1 4.41Å; L570-F588 HydrophobicContact CB-CG 4.19Å; L570-F588 HydrophobicContact CD1-CB 4.01Å; L570-F588 HydrophobicContact CD2-CB 4.25Å; L570-F588 HydrophobicContact CG-CB 4.28Å; L570-F588 WeakPolarHBondContact O-CD1 3.24Å; L571-F588 HydrophobicContact CB-CE1 4.04Å; L571-F588 HydrophobicContact CB-CZ 4.38Å; L571-F588 HydrophobicContact CD1-CE1 4.41Å; L571-F588 HydrophobicContact CD2-CE1 4.46Å; L571-F588 HydrophobicContact CD2-CZ 4.22Å; F583-F588 AromaticContact CD1-CZ 3.94Å; F583-F588 HydrophobicContact CD1-CZ 3.94Å; F583-F588 HydrophobicContact CD2-CZ 4.24Å; F583-F588 HydrophobicContact CE1-CE1 4.23Å; F583-F588 AromaticContact CE1-CZ 3.67Å; F583-F588 HydrophobicContact CE1-CZ 3.67Å; F583-F588 AromaticContact CE2-CZ 4Å; F583-F588 HydrophobicContact CE2-CZ 4Å; F583-F588 HydrophobicContact CG-CZ 4.21Å; F583-F588 HydrophobicContact CZ-CE1 4.35Å; F583-F588 AromaticContact CZ-CZ 3.72Å; F583-F588 HydrophobicContact CZ-CZ 3.72Å; W586-F588 AromaticContact CD1-CD1 3.7Å; W586-F588 AromaticContact CD1-CD2 3.93Å; W586-F588 AromaticContact CD1-CE1 3.49Å; W586-F588 VanDerWaalsContact CD1-CE1 3.49Å; W586-F588 AromaticContact CD1-CE2 3.74Å; W586-F588 AromaticContact CD1-CG 3.92Å; W586-F588 AromaticContact CD1-CZ 3.51Å; W586-F588 HydrophobicContact CG-CZ 4.47Å; W586-F588 AromaticContact NE1-CD1 3.82Å; W586-F588 AromaticContact NE1-CE1 3.7Å
589	M	98.6	Very high	97.5	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.02	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	148.7	-175.6	-165	-89.5	-80.7	0	0	112	N362 S363 I364 S387 H541 V542 V543 V591	N362-M589 WeakPolarHBondContact O-CB 3.43Å; N362-M589 WeakPolarHBondContact OD1-CB 3.39Å; N362-M589 PolarHBondContact OD1-N 3.2Å; S363-M589 WeakPolarHBondContact O-CE 3.34Å; I364-M589 HydrophobicContact CG2-CG 3.9Å; S387-M589 VanDerWaalsContact CB-CE 3.47Å; H541-M589 HydrophobicContact CB-CG 4.46Å; H541-M589 HydrophobicContact CB-SD 4.34Å; V542-M589 CarbonylContact O-C 3.43Å; V542-M589 WeakPolarHBondContact O-CA 3.13Å; V543-M589 HydrophobicContact CG2-CB 4.19Å; V543-M589 HydrophobicContact CG2-CG 3.82Å; M589-V591 HydrophobicContact CE-CG1 4.13Å; M589-V591 HydrophobicContact SD-CG1 3.69Å
590	T	98.8	Very high	97.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	134	167	176.1	0	0	0	0	111.9	A386 V542 L560 S568 L570 H592	A386-T590 CarbonylContact O-C 3.53Å; A386-T590 VanDerWaalsContact O-CA 3.31Å; A386-T590 WeakPolarHBondContact O-CA 3.5Å; V542-T590 HydrophobicContact CB-CG2 3.83Å; V542-T590 HydrophobicContact CG1-CG2 4.28Å; V542-T590 PolarHBondContact N-O 3.03Å; V542-T590 PolarHBondContact O-N 2.91Å; L560-T590 HydrophobicContact CD2-CG2 4.2Å; S568-T590 WeakPolarHBondContact CB-OG1 3.34Å; S568-T590 PolarHBondContact OG-OG1 2.99Å; L570-T590 HydrophobicContact CD2-CG2 4.09Å; T590-H592 WeakPolarHBondContact OG1-CB 3.25Å; T590-H592 PolarHBondContact OG1-N 2.77Å
591	V	98.8	Very high	97.8	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.012	21%	0.206	C	C	.	.			trans	-96	-4.9	167	-61.7	0	0	0	0	112.2	A386 T388 L389 F478 M589 C593 W594	A386-V591 WeakPolarHBondContact O-CG2 3.34Å; A386-V591 PolarHBondContact O-N 2.03Å; T388-V591 WeakPolarHBondContact O-CG2 3.21Å; L389-V591 HydrophobicContact CD1-CB 4.08Å; L389-V591 HydrophobicContact CD1-CG1 3.99Å; L389-V591 HydrophobicContact CD1-CG2 4.03Å; F478-V591 HydrophobicContact CE2-CB 4.28Å; F478-V591 HydrophobicContact CE2-CG2 3.99Å; F478-V591 WeakPolarHBondContact CZ-O 3.23Å; M589-V591 HydrophobicContact CE-CG1 4.13Å; M589-V591 HydrophobicContact SD-CG1 3.69Å; V591-C593 PolarHBondContact O-N 3.35Å; V591-W594 HydrophobicContact CB-CE3 4.03Å; V591-W594 HydrophobicContact CB-CZ3 4.49Å; V591-W594 HydrophobicContact CG1-CE3 4.12Å; V591-W594 HydrophobicContact CG1-CZ3 4.09Å; V591-W594 WeakPolarHBondContact O-CB 3.01Å; V591-W594 PolarHBondContact O-N 2.83Å
592	H	98.7	Very high	98	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.019	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.9	-174.5	-70.2	-154.4	0	0	0	113.5	A386 N466 V472 H474 T566 T590 W594	A386-H592 PolarHBondContact O-CD2 2.91Å; A386-H592 VanDerWaalsContact O-CD2 3.32Å; N466-H592 VanDerWaalsContact CB-O 3.26Å; N466-H592 WeakPolarHBondContact CB-O 3.46Å; N466-H592 PolarHBondContact ND2-O 3.25Å; V472-H592 HydrophobicContact CG1-CB 3.94Å; V472-H592 HydrophobicContact CG2-CB 4.29Å; V472-H592 VanDerWaalsContact CG2-CD2 3.41Å; V472-H592 WeakPolarHBondContact CG2-CD2 3.09Å; H474-H592 AromaticContact CD2-CE1 3.35Å; H474-H592 PolarHBondContact CD2-CE1 3.19Å; H474-H592 AromaticContact CE1-CE1 3.55Å; H474-H592 AromaticContact CE1-ND1 3.77Å; H474-H592 AromaticContact CG-CE1 3.5Å; H474-H592 AromaticContact ND1-CE1 3.63Å; H474-H592 AromaticContact NE2-CE1 3.38Å; H474-H592 PolarHBondContact NE2-CE1 3.38Å; H474-H592 AromaticContact NE2-ND1 3.57Å; T566-H592 HydrophobicContact CG2-CB 4.32Å; T590-H592 WeakPolarHBondContact OG1-CB 3.25Å; T590-H592 PolarHBondContact OG1-N 2.77Å; H592-W594 VanDerWaalsContact C-N 3.34Å
593	C	98.4	Very high	98.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	7.5	178.1	-52	0	0	0	0	113.3	L539 V542 V591 G595 E596 W602	L539-C593 HydrophobicContact CD1-CB 3.81Å; V542-C593 HydrophobicContact CG2-CB 4.13Å; V591-C593 PolarHBondContact O-N 3.35Å; C593-G595 PolarHBondContact O-N 2.84Å; C593-E596 VanDerWaalsContact O-CB 3.25Å; C593-E596 WeakPolarHBondContact O-CB 2.93Å; C593-E596 WeakPolarHBondContact O-CG 3.38Å; C593-E596 PolarHBondContact O-N 2.84Å; C593-W602 HydrophobicContact CB-CH2 4.36Å
594	W	98.8	Very high	98.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	132.9	-174.9	-155.5	-71.7	0	0	0	112.4	L389 Q446 H447 V450 N466 F478 E540 H541 V591 H592 E596	L389-W594 HydrophobicContact CD1-CE3 4.45Å; L389-W594 HydrophobicContact CD1-CZ3 4.25Å; Q446-W594 HydrophobicContact CB-CH2 3.73Å; Q446-W594 HydrophobicContact CB-CZ2 4.19Å; H447-W594 AromaticContact CD2-CZ2 3.72Å; H447-W594 AromaticContact CE1-CE2 3.94Å; H447-W594 AromaticContact CE1-CZ2 3.99Å; H447-W594 AromaticContact CE1-NE1 3.33Å; H447-W594 PolarHBondContact CE1-NE1 3.37Å; H447-W594 VanDerWaalsContact CE1-NE1 3.33Å; H447-W594 AromaticContact CG-CZ2 3.87Å; H447-W594 AromaticContact CG-NE1 3.85Å; H447-W594 AromaticContact ND1-CE2 3.94Å; H447-W594 AromaticContact ND1-NE1 3.2Å; H447-W594 PolarHBondContact ND1-NE1 2.91Å; H447-W594 VanDerWaalsContact ND1-NE1 3.2Å; H447-W594 AromaticContact NE2-CZ2 3.81Å; V450-W594 HydrophobicContact CG1-CB 4.23Å; V450-W594 HydrophobicContact CG1-CG 3.95Å; V450-W594 HydrophobicContact CG2-CD2 3.87Å; V450-W594 HydrophobicContact CG2-CE3 4.22Å; V450-W594 HydrophobicContact CG2-CG 4.13Å; V450-W594 HydrophobicContact CG2-CZ2 4.47Å; N466-W594 PolarHBondContact ND2-O 2.83Å; F478-W594 HydrophobicContact CE2-CB 4.46Å; F478-W594 HydrophobicContact CZ-CB 3.84Å; E540-W594 HydrophobicContact CB-CD2 4.37Å; E540-W594 HydrophobicContact CB-CE3 4.29Å; E540-W594 HydrophobicContact CB-CH2 3.87Å; E540-W594 HydrophobicContact CB-CZ2 3.95Å; E540-W594 HydrophobicContact CB-CZ3 4.06Å; E540-W594 HydrophobicContact CG-CH2 4.15Å; E540-W594 HydrophobicContact CG-CZ2 3.75Å; E540-W594 VanDerWaalsContact O-CE3 3.24Å; H541-W594 AromaticContact CD2-CZ3 3.9Å; H541-W594 AromaticContact CE1-CH2 3.94Å; H541-W594 AromaticContact CE1-CZ3 3.99Å; H541-W594 AromaticContact NE2-CH2 3.88Å; H541-W594 AromaticContact NE2-CZ3 3.63Å; V591-W594 HydrophobicContact CB-CE3 4.03Å; V591-W594 HydrophobicContact CB-CZ3 4.49Å; V591-W594 HydrophobicContact CG1-CE3 4.12Å; V591-W594 HydrophobicContact CG1-CZ3 4.09Å; V591-W594 WeakPolarHBondContact O-CB 3.01Å; V591-W594 PolarHBondContact O-N 2.83Å; H592-W594 VanDerWaalsContact C-N 3.34Å; W594-E596 PolarHBondContact O-N 2.82Å
595	G	97.9	Very high	98.2	Very high	18 Å²	18	30.6 Å²	30.6	19%	0.186	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	-9.8	-177.2	0	0	0	0	0	115.5	A468 L539 C593	A468-G595 VanDerWaalsContact CB-C 3.47Å; L539-G595 PolarHBondContact O-N 3.43Å; C593-G595 PolarHBondContact O-N 2.84Å
596	E	98.4	Very high	98.3	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.009	13%	0.132	C	C	.	.	S	Bend	trans	-70.7	163.3	178.8	-67.6	-176.3	-155.7	0	0	112.6	N466 G467 A468 Y538 L539 S562 S564 T566 C593 W594	N466-E596 WeakPolarHBondContact CB-OE1 3.42Å; G467-E596 PolarHBondContact N-OE1 3.05Å; A468-E596 HydrophobicContact CB-CG 4.18Å; Y538-E596 WeakPolarHBondContact CA-O 3.47Å; L539-E596 HydrophobicContact CD1-CB 4.14Å; L539-E596 PolarHBondContact N-O 3.19Å; S562-E596 VanDerWaalsContact CB-OE2 3.3Å; S562-E596 WeakPolarHBondContact CB-OE2 3.33Å; S562-E596 PolarHBondContact OG-OE2 3.28Å; S564-E596 WeakPolarHBondContact CB-OE2 3.16Å; S564-E596 PolarHBondContact OG-OE2 2.84Å; T566-E596 WeakPolarHBondContact CB-OE1 3.23Å; T566-E596 PolarHBondContact OG1-OE1 3.11Å; C593-E596 VanDerWaalsContact O-CB 3.25Å; C593-E596 WeakPolarHBondContact O-CB 2.93Å; C593-E596 WeakPolarHBondContact O-CG 3.38Å; C593-E596 PolarHBondContact O-N 2.84Å; W594-E596 PolarHBondContact O-N 2.82Å
597	K	97.8	Very high	98.2	Very high	132 Å²	132	26.6 Å²	26.6	57%	0.574	13%	0.134	S	C	*	.	B	Isolated β-bridge	trans	-74.2	131.3	169.9	-72	-171.2	176	-174.4	0	111	V537	V537-K597 VanDerWaalsContact O-CA 3.29Å; V537-K597 WeakPolarHBondContact O-CA 3.1Å
598	A	97.6	Very high	98.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.			trans	-75.8	-29.4	-177.4	0	0	0	0	0	114.3	A527 V536 V537 L539 W602 L629	A527-A598 HydrophobicContact CB-CB 3.48Å; A527-A598 VanDerWaalsContact CB-CB 3.48Å; V536-A598 HydrophobicContact CB-CB 4.37Å; V536-A598 HydrophobicContact CG1-CB 3.98Å; V536-A598 WeakPolarHBondContact O-CB 3.47Å; V537-A598 PolarHBondContact O-N 2.7Å; L539-A598 HydrophobicContact CD2-CB 3.57Å; L539-A598 HydrophobicContact CG-CB 4Å; A598-W602 PolarHBondContact O-NE1 3.22Å; A598-L629 HydrophobicContact CB-CD1 3.97Å
599	E	97.6	Very high	97.7	Very high	124 Å²	124	25.3 Å²	25.3	58%	0.579	13%	0.129	S	C	*	.			trans	-72.3	140.3	-177.4	175.1	173.7	-151.7	0	0	112.6	P563	P563-E599 WeakPolarHBondContact CB-O 3.1Å; P563-E599 WeakPolarHBondContact CG-O 3.14Å
600	G	97.8	Very high	97.1	Very high	18 Å²	18	27.6 Å²	27.6	19%	0.186	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	126.7	-154.6	173.9	0	0	0	0	0	113.5	L524 T525	L524-G600 WeakPolarHBondContact CA-O 3.47Å; T525-G600 PolarHBondContact N-O 3.03Å; T525-G600 PolarHBondContact O-N 2.7Å
601	Q	98.3	Very high	96.4	Very high	107 Å²	107	29.8 Å²	29.8	50%	0.5	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	114	-176.5	-175.3	172.6	60.4	0	0	111.9	T522 A523 L524 P563	T522-Q601 HydrophobicContact CG2-CG 4.34Å; A523-Q601 WeakPolarHBondContact O-CA 3.44Å; L524-Q601 HydrophobicContact CD1-CB 4.4Å; P563-Q601 WeakPolarHBondContact CA-O 3.38Å
602	W	98.5	Very high	95.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	144.1	168.1	-68.4	82.5	0	0	0	110.5	T522 A523 L539 V542 L560 V561 P563 C593 A598 L627 L629	T522-W602 CarbonylContact C-O 3.55Å; T522-W602 VanDerWaalsContact CA-O 3.25Å; T522-W602 WeakPolarHBondContact CA-O 3.49Å; A523-W602 PolarHBondContact N-O 2.98Å; A523-W602 PolarHBondContact O-N 3.26Å; L539-W602 HydrophobicContact CD1-CH2 3.65Å; L539-W602 HydrophobicContact CD1-CZ2 3.69Å; V542-W602 HydrophobicContact CG1-CH2 4.15Å; V542-W602 HydrophobicContact CG1-CZ3 4Å; V542-W602 HydrophobicContact CG2-CH2 3.81Å; V542-W602 HydrophobicContact CG2-CZ3 4.4Å; L560-W602 HydrophobicContact CD1-CE3 3.94Å; L560-W602 HydrophobicContact CD2-CE3 3.74Å; L560-W602 HydrophobicContact CD2-CZ3 3.62Å; L560-W602 HydrophobicContact CG-CE3 3.83Å; L560-W602 HydrophobicContact CG-CZ3 4.06Å; V561-W602 WeakPolarHBondContact O-CA 3.28Å; P563-W602 VanDerWaalsContact CD-CE2 3.41Å; P563-W602 HydrophobicContact CG-CD2 4.39Å; P563-W602 HydrophobicContact CG-CG 4.39Å; P563-W602 HydrophobicContact CG-CZ2 4.38Å; C593-W602 HydrophobicContact CB-CH2 4.36Å; A598-W602 PolarHBondContact O-NE1 3.22Å; W602-L627 HydrophobicContact CB-CD2 3.8Å; W602-L627 HydrophobicContact CD2-CD1 4.4Å; W602-L627 HydrophobicContact CD2-CD2 3.81Å; W602-L627 HydrophobicContact CE3-CD1 4.41Å; W602-L627 HydrophobicContact CG-CD2 3.41Å; W602-L627 VanDerWaalsContact CG-CD2 3.41Å; W602-L629 HydrophobicContact CH2-CD2 4.34Å; W602-L629 HydrophobicContact CZ2-CD1 4.46Å; W602-L629 HydrophobicContact CZ2-CD2 3.84Å
603	T	98.4	Very high	94.5	Very high	26 Å²	26	42.7 Å²	42.7	16%	0.16	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	119.6	174.7	-53	0	0	0	0	111.1	T522 L560 V561 E605	T522-T603 HydrophobicContact CG2-CG2 4.06Å; L560-T603 CarbonylContact C-O 2.96Å; L560-T603 WeakPolarHBondContact CA-O 3.35Å; V561-T603 PolarHBondContact N-O 3.09Å; V561-T603 PolarHBondContact O-N 3Å; T603-E605 HydrophobicContact CG2-CG 4.24Å
604	L	98.4	Very high	93.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	124.7	167.1	173.3	63.3	0	0	0	108.7	T521 V544 I558 I606 W625	T521-L604 HydrophobicContact CG2-CB 3.77Å; T521-L604 HydrophobicContact CG2-CD2 3.96Å; T521-L604 HydrophobicContact CG2-CG 4.11Å; T521-L604 PolarHBondContact N-O 3.19Å; T521-L604 PolarHBondContact O-N 2.91Å; V544-L604 HydrophobicContact CG1-CD1 4.18Å; V544-L604 HydrophobicContact CG1-CD2 4.21Å; I558-L604 HydrophobicContact CG2-CD1 3.59Å; L604-I606 HydrophobicContact CD1-CG1 4.38Å; L604-I606 HydrophobicContact CD2-CD1 4.41Å; L604-I606 HydrophobicContact CG-CG1 4.27Å; L604-W625 HydrophobicContact CB-CE3 4.41Å; L604-W625 HydrophobicContact CB-CH2 4.22Å; L604-W625 HydrophobicContact CB-CZ2 4.49Å; L604-W625 HydrophobicContact CB-CZ3 4.17Å; L604-W625 HydrophobicContact CD2-CB 4.14Å; L604-W625 HydrophobicContact CD2-CD2 3.59Å; L604-W625 HydrophobicContact CD2-CE3 3.69Å; L604-W625 HydrophobicContact CD2-CG 3.8Å; L604-W625 HydrophobicContact CD2-CZ3 4.29Å
605	E	98.4	Very high	92.7	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.047	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128.6	172.1	-56.8	-163.8	135.1	0	0	109.8	V518 L519 R520 I558 Y559 K567 T603	V518-E605 HydrophobicContact CG1-CB 3.74Å; V518-E605 HydrophobicContact CG1-CG 4.08Å; L519-E605 WeakPolarHBondContact O-CA 3.38Å; R520-E605 HydrophobicContact CG-CG 4.3Å; R520-E605 IonicContact CZ-OE1 4Å; R520-E605 IonicContact NE-OE1 3.7Å; R520-E605 PolarHBondContact NE-OE1 2.99Å; R520-E605 IonicContact NH2-OE1 3.15Å; R520-E605 PolarHBondContact NH2-OE1 2.93Å; I558-E605 WeakPolarHBondContact CA-O 3.01Å; Y559-E605 PolarHBondContact N-O 2.55Å; Y559-E605 PolarHBondContact O-N 3.24Å; K567-E605 WeakPolarHBondContact CE-OE2 3.14Å; K567-E605 IonicContact NZ-OE2 3.47Å; K567-E605 PolarHBondContact NZ-OE2 2.96Å; T603-E605 HydrophobicContact CG2-CG 4.24Å
606	I	98.4	Very high	91.6	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.5	170.8	-54.6	177.4	0	0	0	107.9	I513 L519 I548 L556 Q557 I558 L604 L622	I513-I606 HydrophobicContact CD1-CG2 3.95Å; I513-I606 HydrophobicContact CG1-CG2 4.35Å; I513-I606 HydrophobicContact CG2-CG2 3.99Å; L519-I606 HydrophobicContact CB-CB 4.37Å; L519-I606 PolarHBondContact N-O 3.08Å; L519-I606 PolarHBondContact O-N 3.35Å; I548-I606 HydrophobicContact CD1-CD1 3.97Å; L556-I606 HydrophobicContact CD2-CG2 3.88Å; Q557-I606 WeakPolarHBondContact O-CA 3.21Å; I558-I606 HydrophobicContact CG1-CG1 4.42Å; I558-I606 HydrophobicContact CG1-CG2 4.4Å; I558-I606 HydrophobicContact CG2-CG1 4.41Å; L604-I606 HydrophobicContact CD1-CG1 4.38Å; L604-I606 HydrophobicContact CD2-CD1 4.41Å; L604-I606 HydrophobicContact CG-CG1 4.27Å; I606-L622 HydrophobicContact CD1-CB 4.35Å; I606-L622 HydrophobicContact CD1-CD1 4Å; I606-L622 HydrophobicContact CD1-CD2 4Å; I606-L622 HydrophobicContact CD1-CG 4.34Å
607	Q	96.6	Very high	90.6	Very high	38 Å²	38	59 Å²	59	18%	0.178	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	140.5	176.9	-52.6	-171.5	10.3	0	0	109.2	V518 L556 Q557 L609	V518-Q607 HydrophobicContact CB-CG 4.4Å; V518-Q607 HydrophobicContact CG1-CG 4.08Å; V518-Q607 HydrophobicContact CG2-CG 4.02Å; L556-Q607 WeakPolarHBondContact CA-O 3.02Å; Q557-Q607 HydrophobicContact CB-CB 4.4Å; Q557-Q607 PolarHBondContact N-O 2.88Å; Q557-Q607 PolarHBondContact O-N 2.67Å; Q607-L609 HydrophobicContact CB-CG 4.27Å
608	D	94.5	Very high	89.9	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	106.3	174	-176.9	18.6	0	0	0	110.2	I513 L515 V516 H550 L556 P610 R614	I513-D608 HydrophobicContact CG2-CB 3.7Å; L515-D608 WeakPolarHBondContact CD2-OD2 3.16Å; V516-D608 PolarHBondContact N-O 2.57Å; H550-D608 VanDerWaalsContact CE1-CG 3.42Å; H550-D608 IonicContact CE1-OD1 3.45Å; H550-D608 PolarHBondContact CE1-OD1 2.77Å; H550-D608 IonicContact CE1-OD2 2.73Å; H550-D608 VanDerWaalsContact NE2-CG 3.3Å; H550-D608 IonicContact NE2-OD1 2.69Å; H550-D608 PolarHBondContact NE2-OD1 2.94Å; H550-D608 IonicContact NE2-OD2 3.58Å; H550-D608 PolarHBondContact NE2-OD2 3.27Å; L556-D608 HydrophobicContact CD2-CB 4.45Å; D608-P610 WeakPolarHBondContact O-CD 3.48Å; D608-R614 IonicContact OD1-CZ 3.29Å; D608-R614 IonicContact OD1-NH1 3.82Å; D608-R614 IonicContact OD1-NH2 3.35Å; D608-R614 PolarHBondContact OD1-NH2 3.39Å; D608-R614 IonicContact OD2-CZ 2.64Å; D608-R614 IonicContact OD2-NH1 2.66Å; D608-R614 PolarHBondContact OD2-NH1 3.35Å; D608-R614 IonicContact OD2-NH2 2.7Å; D608-R614 PolarHBondContact OD2-NH2 2.98Å
609	L	91.1	Very high	89.4	Confident	46 Å²	46	63.4 Å²	63.4	24%	0.241	33%	0.329	C	S	.	.			trans	-118.5	80.7	-168.2	-62.6	179.8	0	0	0	110.5	D555 Q557 K573 Q607 S611	D555-L609 PolarHBondContact O-N 3.19Å; Q557-L609 HydrophobicContact CG-CD1 4.45Å; K573-L609 WeakPolarHBondContact CE-O 3.4Å; K573-L609 PolarHBondContact NZ-O 2.03Å; Q607-L609 HydrophobicContact CB-CG 4.27Å; L609-S611 PolarHBondContact O-N 3.36Å
610	P	86.9	Confident	89.2	Confident	52 Å²	52	57.5 Å²	57.5	34%	0.338	30%	0.301	S	S	.	.			trans	-51.3	122.4	-175.8	13.2	-25.5	0	0	0	114.1	D608 Q612	D608-P610 WeakPolarHBondContact O-CD 3.48Å; P610-Q612 VanDerWaalsContact C-N 3.33Å; P610-Q612 WeakPolarHBondContact CB-O 3.21Å
611	S	83.1	Confident	89.1	Confident	45 Å²	45	61.7 Å²	61.7	32%	0.315	31%	0.314	S	S	.	.	S	Bend	trans	-80.7	-18	170.7	-43.9	0	0	0	0	112.8	R552 D555 K573 L575 L609	R552-S611 PolarHBondContact NH1-OG 2.98Å; D555-S611 WeakPolarHBondContact OD1-CB 3.34Å; D555-S611 PolarHBondContact OD1-N 3.45Å; D555-S611 PolarHBondContact OD1-OG 3Å; K573-S611 WeakPolarHBondContact CE-OG 3.36Å; K573-S611 PolarHBondContact NZ-OG 2.75Å; L575-S611 WeakPolarHBondContact CD2-OG 3.35Å; L609-S611 PolarHBondContact O-N 3.36Å
612	Q	79.9	Confident	89.1	Confident	121 Å²	121	56.7 Å²	56.7	57%	0.565	29%	0.291	S	S	*	.	S	Bend	trans	-140.4	153.9	-175.7	-65	180	-3.1	0	0	108.4	P610 R614	P610-Q612 VanDerWaalsContact C-N 3.33Å; P610-Q612 WeakPolarHBondContact CB-O 3.21Å; Q612-R614 PolarHBondContact O-N 3.41Å
613	V	78.1	Confident	89	Confident	157 Å²	157	61.1 Å²	61.1	95%	0.952	31%	0.31	S	S	*	.			trans	-66.5	125.2	175.5	-176.5	0	0	0	0	109.3
614	R	80.7	Confident	88.9	Confident	53 Å²	53	62.3 Å²	62.3	20%	0.2	31%	0.314	C	S	.	.			trans	-138.1	159.9	174	56.7	172	152.8	104.1	9.9	110.3	D555 D608 Q612 P616	D555-R614 IonicContact OD2-NE 2.73Å; D555-R614 IonicContact OD2-NH2 3.09Å; D608-R614 IonicContact OD1-CZ 3.29Å; D608-R614 IonicContact OD1-NH1 3.82Å; D608-R614 IonicContact OD1-NH2 3.35Å; D608-R614 PolarHBondContact OD1-NH2 3.39Å; D608-R614 IonicContact OD2-CZ 2.64Å; D608-R614 IonicContact OD2-NH1 2.66Å; D608-R614 PolarHBondContact OD2-NH1 3.35Å; D608-R614 IonicContact OD2-NH2 2.7Å; D608-R614 PolarHBondContact OD2-NH2 2.98Å; Q612-R614 PolarHBondContact O-N 3.41Å; R614-P616 WeakPolarHBondContact O-CD 3.46Å
615	N	78.4	Confident	88.9	Confident	69 Å²	69	62.6 Å²	62.6	37%	0.369	32%	0.315	S	S	.	.			trans	-58.4	119	179.9	179.1	-10.3	0	0	0	110.5	E617 K618	N615-E617 PolarHBondContact ND2-OE2 2.83Å; N615-E617 PolarHBondContact O-N 3.24Å; N615-E617 VanDerWaalsContact OD1-CB 3.22Å; N615-E617 WeakPolarHBondContact OD1-CB 3.49Å; N615-E617 WeakPolarHBondContact OD1-CG 3.11Å; N615-E617 PolarHBondContact OD1-N 3.22Å; N615-E617 PolarHBondContact OD1-OE2 3.05Å; N615-K618 PolarHBondContact O-N 2.03Å; N615-K618 VanDerWaalsContact O-N 3.14Å
616	P	74.9	Confident	88.9	Confident	80 Å²	80	62.3 Å²	62.3	52%	0.519	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-12.7	-177.5	29.8	-36.9	0	0	0	114.7	L515 R614 K618 Q619	L515-P616 HydrophobicContact CD1-CB 3.49Å; L515-P616 VanDerWaalsContact CD1-CB 3.49Å; R614-P616 WeakPolarHBondContact O-CD 3.46Å; P616-K618 VanDerWaalsContact C-N 3.35Å; P616-Q619 VanDerWaalsContact O-CG 3.26Å; P616-Q619 WeakPolarHBondContact O-CG 3.41Å; P616-Q619 PolarHBondContact O-NE2 3.07Å
617	E	77.1	Confident	88.9	Confident	160 Å²	160	62.3 Å²	62.3	75%	0.748	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-30.5	172	-56.4	168.8	147	0	0	111.7	N615 Q619	N615-E617 PolarHBondContact ND2-OE2 2.83Å; N615-E617 PolarHBondContact O-N 3.24Å; N615-E617 VanDerWaalsContact OD1-CB 3.22Å; N615-E617 WeakPolarHBondContact OD1-CB 3.49Å; N615-E617 WeakPolarHBondContact OD1-CG 3.11Å; N615-E617 PolarHBondContact OD1-N 3.22Å; N615-E617 PolarHBondContact OD1-OE2 3.05Å; E617-Q619 VanDerWaalsContact C-N 3.26Å; E617-Q619 PolarHBondContact O-N 2.91Å
618	K	83.1	Confident	89	Confident	143 Å²	143	60.7 Å²	60.7	62%	0.622	31%	0.307	S	S	*	.	S	Bend	trans	-86.1	65.7	-179.8	-69.1	-168.7	176.1	-176.7	0	110.8	P551 N615 P616	P551-K618 WeakPolarHBondContact CG-O 3.08Å; N615-K618 PolarHBondContact O-N 2.03Å; N615-K618 VanDerWaalsContact O-N 3.14Å; P616-K618 VanDerWaalsContact C-N 3.35Å
619	Q	87.2	Confident	89.2	Confident	81 Å²	81	60.7 Å²	60.7	38%	0.379	31%	0.307	S	S	.	.			trans	-73.5	153.1	178.5	-62	-178.3	2.3	0	0	112.5	P616 E617	P616-Q619 VanDerWaalsContact O-CG 3.26Å; P616-Q619 WeakPolarHBondContact O-CG 3.41Å; P616-Q619 PolarHBondContact O-NE2 3.07Å; E617-Q619 VanDerWaalsContact C-N 3.26Å; E617-Q619 PolarHBondContact O-N 2.91Å
620	G	93.6	Very high	89.6	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	157	167.7	0	0	0	0	0	112.7	S512 I513 H550	S512-G620 CarbonylContact C-O 3.51Å; S512-G620 WeakPolarHBondContact CA-O 3.43Å; I513-G620 PolarHBondContact N-O 2.85Å; H550-G620 WeakPolarHBondContact CD2-CA 3.36Å
621	K	96.3	Very high	90.1	Very high	107 Å²	107	57 Å²	57	47%	0.465	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	121.4	171.7	-62.7	-175.9	-179.8	179.9	0	111.2	R511 I548 S549 K623	R511-K621 CarbonylContact O-C 3.56Å; R511-K621 WeakPolarHBondContact O-CA 3.45Å; I548-K621 WeakPolarHBondContact CA-O 3.38Å; S549-K621 PolarHBondContact N-O 3Å; S549-K621 PolarHBondContact O-N 2.72Å; K621-K623 PolarHBondContact O-N 2.95Å
622	L	97.6	Very high	90.8	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	118.2	160.3	178	64.6	0	0	0	107.1	P510 R511 L519 T521 I548 I606 E624 W625	P510-L622 CarbonylContact C-O 3.41Å; P510-L622 VanDerWaalsContact CA-O 3.24Å; P510-L622 WeakPolarHBondContact CA-O 3.31Å; R511-L622 PolarHBondContact N-O 2.8Å; R511-L622 PolarHBondContact O-N 2.82Å; L519-L622 HydrophobicContact CD2-CB 4.1Å; L519-L622 HydrophobicContact CD2-CD2 4.28Å; T521-L622 HydrophobicContact CG2-CD2 4.48Å; I548-L622 HydrophobicContact CD1-CD1 4.31Å; I548-L622 HydrophobicContact CG1-CD1 3.64Å; I606-L622 HydrophobicContact CD1-CB 4.35Å; I606-L622 HydrophobicContact CD1-CD1 4Å; I606-L622 HydrophobicContact CD1-CD2 4Å; I606-L622 HydrophobicContact CD1-CG 4.34Å; L622-E624 WeakPolarHBondContact CD1-O 3.24Å; L622-W625 HydrophobicContact CD1-CB 4.33Å
623	K	97	Very high	91.6	Very high	92 Å²	92	50.8 Å²	50.8	40%	0.4	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-52.7	179.2	-59.2	173.1	-178	167.2	0	110.4	S547 S549 K621	S547-K623 WeakPolarHBondContact O-CB 3.43Å; S547-K623 PolarHBondContact O-N 2.94Å; S549-K623 WeakPolarHBondContact OG-CE 3.43Å; K621-K623 PolarHBondContact O-N 2.95Å
624	E	96.6	Very high	92.4	Very high	51 Å²	51	49.3 Å²	49.3	24%	0.238	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	158.1	175.5	62.6	-175.9	152.1	0	0	110.5	D507 K508 S547 L622	D507-E624 CarbonylContact O-C 3.57Å; D507-E624 VanDerWaalsContact O-CA 3.23Å; D507-E624 WeakPolarHBondContact O-CA 3.44Å; D507-E624 WeakPolarHBondContact O-CB 3.22Å; K508-E624 HydrophobicContact CB-CB 4.27Å; K508-E624 WeakPolarHBondContact CD-OE2 3.33Å; K508-E624 WeakPolarHBondContact CE-OE2 3.37Å; K508-E624 HydrophobicContact CG-CB 4.11Å; K508-E624 WeakPolarHBondContact CG-OE2 3.2Å; K508-E624 IonicContact NZ-OE2 2.89Å; S547-E624 PolarHBondContact N-O 3.43Å; S547-E624 PolarHBondContact O-N 3.05Å; L622-E624 WeakPolarHBondContact CD1-O 3.24Å
625	W	97.3	Very high	93	Very high	6 Å²	6	50.5 Å²	50.5	2%	0.023	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	162.3	165.8	72.6	-68.1	0	0	0	111.6	S506 D507 T521 A523 V544 R545 T546 L604 L622 L627	S506-W625 WeakPolarHBondContact CA-O 3.35Å; D507-W625 PolarHBondContact N-O 2.97Å; D507-W625 PolarHBondContact O-N 2.86Å; T521-W625 HydrophobicContact CG2-CD2 4.4Å; T521-W625 HydrophobicContact CG2-CZ2 3.78Å; A523-W625 HydrophobicContact CB-CH2 3.77Å; A523-W625 HydrophobicContact CB-CZ2 4.07Å; V544-W625 HydrophobicContact CG1-CE3 4.06Å; R545-W625 CarbonylContact O-C 3.57Å; R545-W625 WeakPolarHBondContact O-CA 3.26Å; R545-W625 WeakPolarHBondContact O-CB 3.38Å; T546-W625 HydrophobicContact CG2-CB 4.2Å; L604-W625 HydrophobicContact CB-CE3 4.41Å; L604-W625 HydrophobicContact CB-CH2 4.22Å; L604-W625 HydrophobicContact CB-CZ2 4.49Å; L604-W625 HydrophobicContact CB-CZ3 4.17Å; L604-W625 HydrophobicContact CD2-CB 4.14Å; L604-W625 HydrophobicContact CD2-CD2 3.59Å; L604-W625 HydrophobicContact CD2-CE3 3.69Å; L604-W625 HydrophobicContact CD2-CG 3.8Å; L604-W625 HydrophobicContact CD2-CZ3 4.29Å; L622-W625 HydrophobicContact CD1-CB 4.33Å; W625-L627 HydrophobicContact CZ3-CB 3.94Å
626	S	98.1	Very high	93.5	Very high	5 Å²	5	47.7 Å²	47.7	4%	0.035	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	141.7	171.8	-57.3	0	0	0	0	110.6	A505 S506 V544 R545	A505-S626 CarbonylContact O-C 3.53Å; A505-S626 VanDerWaalsContact O-CA 3.24Å; A505-S626 WeakPolarHBondContact O-CA 3.47Å; A505-S626 WeakPolarHBondContact O-CB 2.99Å; S506-S626 WeakPolarHBondContact CB-OG 3.36Å; S506-S626 PolarHBondContact OG-OG 3.3Å; V544-S626 WeakPolarHBondContact CA-O 3.07Å; R545-S626 PolarHBondContact N-O 3.11Å; R545-S626 PolarHBondContact O-N 2.88Å
627	L	98.6	Very high	94	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.6	173.9	-177.8	66.4	0	0	0	108.6	V503 A504 A505 V542 V544 L560 W602 W625 L629	V503-L627 CarbonylContact C-O 3.43Å; A504-L627 HydrophobicContact CB-CD2 4.09Å; A504-L627 HydrophobicContact CB-CG 4.25Å; A504-L627 PolarHBondContact N-O 2.97Å; A505-L627 HydrophobicContact CB-CB 4.2Å; A505-L627 PolarHBondContact N-O 2.77Å; A505-L627 PolarHBondContact O-N 3.25Å; V542-L627 HydrophobicContact CG1-CD1 3.84Å; V544-L627 HydrophobicContact CG2-CD1 4.1Å; L560-L627 HydrophobicContact CD2-CD1 4.43Å; W602-L627 HydrophobicContact CB-CD2 3.8Å; W602-L627 HydrophobicContact CD2-CD1 4.4Å; W602-L627 HydrophobicContact CD2-CD2 3.81Å; W602-L627 HydrophobicContact CE3-CD1 4.41Å; W602-L627 HydrophobicContact CG-CD2 3.41Å; W602-L627 VanDerWaalsContact CG-CD2 3.41Å; W625-L627 HydrophobicContact CZ3-CB 3.94Å; L627-L629 HydrophobicContact CD1-CD2 3.9Å; L627-L629 HydrophobicContact CD2-CD2 4.13Å; L627-L629 HydrophobicContact CG-CD2 3.83Å; L627-L629 HydrophobicContact CG-CG 4.29Å
628	I	98.7	Very high	93.5	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	121.9	178.8	-50.9	171.8	0	0	0	107.2	M501 C502 V543 Y630	M501-I628 HydrophobicContact CG-CG2 3.8Å; M501-I628 HydrophobicContact SD-CG2 4.3Å; C502-I628 CarbonylContact O-C 3.59Å; C502-I628 WeakPolarHBondContact O-CA 3.28Å; V543-I628 HydrophobicContact CB-CB 4.24Å; V543-I628 HydrophobicContact CG1-CD1 4.46Å; V543-I628 PolarHBondContact N-O 3.05Å; V543-I628 PolarHBondContact O-N 2.88Å; I628-Y630 HydrophobicContact CB-CE2 4.43Å; I628-Y630 HydrophobicContact CG2-CD2 4.32Å; I628-Y630 HydrophobicContact CG2-CE2 3.63Å
629	L	98.8	Very high	91.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	129	-178	-52.8	-179.7	0	0	0	108.5	M501 C502 A504 T525 A527 L539 V542 A598 W602 L627	M501-L629 WeakPolarHBondContact CA-O 3.4Å; C502-L629 HydrophobicContact CB-CB 4.41Å; C502-L629 PolarHBondContact N-O 3.42Å; C502-L629 PolarHBondContact O-N 3.39Å; A504-L629 HydrophobicContact CB-CD1 3.53Å; A504-L629 HydrophobicContact CB-CG 3.73Å; T525-L629 HydrophobicContact CG2-CD1 4.5Å; A527-L629 HydrophobicContact CB-CD1 4.11Å; L539-L629 HydrophobicContact CD2-CB 3.98Å; L539-L629 HydrophobicContact CD2-CD1 4.4Å; L539-L629 HydrophobicContact CD2-CD2 4.13Å; L539-L629 HydrophobicContact CD2-CG 4.39Å; V542-L629 HydrophobicContact CB-CD2 4.4Å; V542-L629 HydrophobicContact CG1-CD2 3.81Å; V542-L629 HydrophobicContact CG2-CD2 3.97Å; A598-L629 HydrophobicContact CB-CD1 3.97Å; W602-L629 HydrophobicContact CH2-CD2 4.34Å; W602-L629 HydrophobicContact CZ2-CD1 4.46Å; W602-L629 HydrophobicContact CZ2-CD2 3.84Å; L627-L629 HydrophobicContact CD1-CD2 3.9Å; L627-L629 HydrophobicContact CD2-CD2 4.13Å; L627-L629 HydrophobicContact CG-CD2 3.83Å; L627-L629 HydrophobicContact CG-CG 4.29Å
630	Y	98.8	Very high	89.3	Confident	21 Å²	21	49 Å²	49	8%	0.082	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	146.6	171.2	-64.2	-94.9	0	0	0	109.1	I364 H500 M501 E540 H541 V543 I628	I364-Y630 HydrophobicContact CD1-CD1 3.74Å; I364-Y630 HydrophobicContact CD1-CD2 4.29Å; I364-Y630 HydrophobicContact CD1-CE1 3.43Å; I364-Y630 VanDerWaalsContact CD1-CE1 3.43Å; I364-Y630 HydrophobicContact CD1-CE2 4.03Å; I364-Y630 HydrophobicContact CD1-CG 4.16Å; I364-Y630 HydrophobicContact CG2-CE2 4.47Å; H500-Y630 WeakPolarHBondContact O-CA 3.12Å; M501-Y630 HydrophobicContact CB-CD1 4.21Å; M501-Y630 HydrophobicContact CB-CE1 4.07Å; M501-Y630 HydrophobicContact CE-CE1 3.7Å; M501-Y630 HydrophobicContact CG-CD1 4.17Å; M501-Y630 HydrophobicContact CG-CE1 3.69Å; M501-Y630 HydrophobicContact SD-CE1 4.39Å; E540-Y630 PolarHBondContact N-O 2.82Å; H541-Y630 HydrophobicContact CB-CD2 4.2Å; H541-Y630 HydrophobicContact CB-CG 4.47Å; H541-Y630 WeakPolarHBondContact O-CB 3.49Å; H541-Y630 PolarHBondContact O-N 2.57Å; V543-Y630 HydrophobicContact CB-CE2 4.29Å; V543-Y630 HydrophobicContact CG2-CD2 4.38Å; V543-Y630 HydrophobicContact CG2-CE2 3.91Å; I628-Y630 HydrophobicContact CB-CE2 4.43Å; I628-Y630 HydrophobicContact CG2-CD2 4.32Å; I628-Y630 HydrophobicContact CG2-CE2 3.63Å
631	G	98.3	Very high	86.4	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.6	-149	178.6	0	0	0	0	0	113.6	Q499 H500 Y538 E540	Q499-G631 WeakPolarHBondContact CA-O 3.46Å; H500-G631 PolarHBondContact N-O 2.94Å; H500-G631 PolarHBondContact O-N 3.1Å; Y538-G631 CarbonylContact O-C 3.58Å; Y538-G631 VanDerWaalsContact O-CA 3.25Å; Y538-G631 WeakPolarHBondContact O-CA 3.32Å; E540-G631 WeakPolarHBondContact OE1-CA 3.36Å
632	T	98	Very high	83.5	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	145.9	-171.6	40.4	0	0	0	0	112.3	R443 P497 V537 Y538 E634	R443-T632 VanDerWaalsContact NH2-CG2 3.29Å; P497-T632 HydrophobicContact CB-CG2 3.77Å; P497-T632 HydrophobicContact CG-CG2 4.22Å; P497-T632 WeakPolarHBondContact O-CG2 3.38Å; V537-T632 PolarHBondContact N-O 2.7Å; Y538-T632 PolarHBondContact N-O 2.8Å; Y538-T632 PolarHBondContact O-N 3.04Å; T632-E634 WeakPolarHBondContact CB-O 3.07Å; T632-E634 PolarHBondContact OG1-O 2.81Å
633	A	96.4	Very high	80.4	Confident	35 Å²	35	61.9 Å²	61.9	29%	0.289	32%	0.321	S	S	.	.	S	Bend	trans	-77.2	-29.9	174	0	0	0	0	0	112.8	V537	V537-A633 WeakPolarHBondContact CG2-O 3.01Å
634	E	94.4	Very high	77.3	Confident	127 Å²	127	66.3 Å²	66.3	59%	0.593	34%	0.343	S	S	*	.	S	Bend	trans	-102.9	158.1	176	-66.8	180	-145.8	0	0	110.7	P497 Y538 T632	P497-E634 HydrophobicContact CG-CB 4.07Å; Y538-E634 WeakPolarHBondContact CD2-O 3.32Å; T632-E634 WeakPolarHBondContact CB-O 3.07Å; T632-E634 PolarHBondContact OG1-O 2.81Å
635	H	93.3	Very high	74.2	Confident	78 Å²	78	69.5 Å²	69.5	36%	0.361	37%	0.371	S	S	.	.			trans	-68.3	121.9	-179.6	-173.7	-91.6	0	0	0	110.5	Y538 Y637	Y538-H635 AromaticContact CD1-CD2 3.93Å; Y538-H635 HydrophobicContact CD2-CB 4.26Å; Y538-H635 AromaticContact CE1-CD2 3.53Å; Y538-H635 HydrophobicContact CE2-CB 3.76Å; Y538-H635 AromaticContact CZ-CD2 3.69Å; H635-Y637 PolarHBondContact CE1-O 3.28Å; H635-Y637 PolarHBondContact ND1-N 3.32Å; H635-Y637 PolarHBondContact ND1-O 2.03Å; H635-Y637 PolarHBondContact O-N 2.9Å
636	P	88.7	Confident	71.2	Confident	9 Å²	9	81.2 Å²	81.2	6%	0.058	42%	0.415	C	S	.	.	S	Bend	trans	-68.2	-13.2	-167.1	25.8	-35.5	0	0	0	114.5	V496	V496-P636 HydrophobicContact CB-CB 4.25Å; V496-P636 HydrophobicContact CG1-CB 3.97Å
637	Y	87.3	Confident	68	Low	44 Å²	44	86.3 Å²	86.3	17%	0.173	45%	0.451	C	S	.	.	S	Bend	trans	-115.6	112.1	173.9	-42.5	-44.9	0	0	0	109.6	H447 W493 H635 T639	H447-Y637 HydrophobicContact CB-CE1 4.33Å; H447-Y637 AromaticContact ND1-CE1 3.58Å; H447-Y637 AromaticContact ND1-CZ 3.62Å; H447-Y637 PolarHBondContact ND1-OH 3.5Å; W493-Y637 AromaticContact CH2-CD1 3.86Å; W493-Y637 HydrophobicContact CH2-CD1 3.86Å; W493-Y637 AromaticContact CH2-CE1 3.51Å; W493-Y637 HydrophobicContact CH2-CE1 3.51Å; W493-Y637 HydrophobicContact CZ2-CD1 4.3Å; W493-Y637 AromaticContact CZ2-CE1 3.97Å; W493-Y637 HydrophobicContact CZ2-CE1 3.97Å; H635-Y637 PolarHBondContact CE1-O 3.28Å; H635-Y637 PolarHBondContact ND1-N 3.32Å; H635-Y637 PolarHBondContact ND1-O 2.03Å; H635-Y637 PolarHBondContact O-N 2.9Å; Y637-T639 PolarHBondContact O-N 2.99Å
638	H	65.3	Low	64.8	Low	122 Å²	122	98.3 Å²	98.3	57%	0.565	50%	0.496	S	S	*	.			trans	-65	104.2	177.4	-65.1	-58.9	0	0	0	111.4	F640	H638-F640 PolarHBondContact O-N 3.06Å
639	T	45.8	Very low	61.5	Low	110 Å²	110	106.3 Å²	106.3	68%	0.675	54%	0.536	S	S	*	.			trans	-72.8	118.7	159.9	33.7	0	0	0	0	108.8	Y637 S641	Y637-T639 PolarHBondContact O-N 2.99Å; T639-S641 PolarHBondContact O-N 2.93Å
640	F	36.5	Very low	58.2	Low	216 Å²	216	114.4 Å²	114.4	95%	0.947	58%	0.578	S	S	*	*			trans	-64.7	87.1	164.3	-87	-85.6	0	0	0	108.9	H638	H638-F640 PolarHBondContact O-N 3.06Å
641	S	32.8	Very low	55	Low	102 Å²	102	121 Å²	121	71%	0.713	61%	0.609	S	S	*	*			trans	-92.8	120.2	-169.8	-156.1	0	0	0	0	112.1	T639	T639-S641 PolarHBondContact O-N 2.93Å
642	A	35.8	Very low	51.5	Low	78 Å²	78	129.2 Å²	129.2	65%	0.645	65%	0.652	S	S	*	*	S	Bend	trans	56	80.6	157	0	0	0	0	0	119
643	H	32	Very low	47.9	Very low	199 Å²	199	134 Å²	134	92%	0.921	69%	0.686	S	S	*	*	S	Bend	trans	-139.6	11.5	146.5	-101.4	-59.8	0	0	0	116.9
644	Q	32.8	Very low	44.6	Very low	185 Å²	185	136.9 Å²	136.9	86%	0.864	71%	0.71	S	S	*	*	S	Bend	trans	-147.5	117	158.6	-83.3	169.8	9.3	0	0	105
645	S	31.5	Very low	41.6	Very low	118 Å²	118	136.5 Å²	136.5	83%	0.825	72%	0.718	S	S	*	*			cis	-148.1	116.1	42.8	-64.8	0	0	0	0	113.1
646	R	34.1	Very low	38.5	Very low	253 Å²	253	141.5 Å²	141.5	96%	0.955	74%	0.742	S	S	*	*			trans	-109.5	61.3	165.6	-120.5	-167.8	-178.2	-172.5	0.8	110.6
647	S	29.9	Very low	35.5	Very low	111 Å²	111	149.5 Å²	149.5	78%	0.776	78%	0.783	S	S	*	*			trans	-176	86.9	163.2	-97.1	0	0	0	0	113
648	R	31.1	Very low	32.5	Very low	252 Å²	252	155.8 Å²	155.8	95%	0.951	81%	0.814	S	S	*	*				-179	100.1	118.2	-98.5	173.8	-174	-168.5	1.4	109.8
649	M	30.8	Very low	31	Very low	173 Å²	173	155 Å²	155	85%	0.852	82%	0.82	S	S	*	*			trans	-80.2	128.9	163.7	-175.2	-162.1	-47	0	0	107.7
650	L	28.9	Very low	30.2	Very low	170 Å²	170	156.1 Å²	156.1	89%	0.89	83%	0.829	S	S	*	*			trans	-159.9	136.4	153.4	-111.1	168.5	0	0	0	107.3
651	E	31.1	Very low	29.7	Very low	158 Å²	158	155.2 Å²	155.2	74%	0.738	83%	0.825	S	S	*	*			trans	-90	163.7	-165.9	-59.4	153.5	117	0	0	112.1
652	L	25.8	Very low	29.4	Very low	173 Å²	173	155.2 Å²	155.2	91%	0.906	83%	0.831	S	S	*	*				-169.2	163.4	122.2	-99.8	163.1	0	0	0	110.7
653	S	22.5	Very low	28.9	Very low	101 Å²	101	155.5 Å²	155.5	71%	0.706	83%	0.833	S	S	*	*			trans	-113.9	142.7	-140.4	-41.3	0	0	0	0	116.8
654	A	27	Very low	28.5	Very low	95 Å²	95	154.3 Å²	154.3	79%	0.785	83%	0.833	S	S	*	*			trans	67.6	169.9	132.4	0	0	0	0	0	119.6
655	P	30.9	Very low	28.2	Very low	120 Å²	120	150.3 Å²	150.3	78%	0.779	83%	0.825	S	S	*	*			cis	-124.8	173	-3.9	41.2	-27	0	0	0	115.9
656	E	27.6	Very low	28.4	Very low	183 Å²	183	149.8 Å²	149.8	86%	0.855	82%	0.819	S	S	*	*			trans	-87.3	170.9	167.7	-65.7	165.7	102.2	0	0	112.6
657	L	26.3	Very low	27.9	Very low	177 Å²	177	142.1 Å²	142.1	93%	0.927	80%	0.804	S	S	*	*			trans	-155.3	132.1	159.1	-112.9	150.1	0	0	0	111.2
658	E	24.3	Very low	27.7	Very low	176 Å²	176	145.5 Å²	145.5	82%	0.822	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-89.6	162	-171.9	-80.7	-149.6	139	0	0	115.3
659	P	33.6	Very low	27.4	Very low	105 Å²	105	138.9 Å²	138.9	68%	0.682	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-91.9	140.8	172.7	35.7	-33.3	0	0	0	114.3
660	P	29	Very low	27	Very low	133 Å²	133	139.3 Å²	139.3	86%	0.864	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-82.3	167.4	175.6	33.3	-35.1	0	0	0	114.3
661	K	25.3	Very low	26.9	Very low	198 Å²	198	137.6 Å²	137.6	86%	0.861	79%	0.791	S	S	*	*			trans	-122.5	141.8	-167.3	-63.6	166.9	179.6	163.5	0	114.3
662	A	27.4	Very low	27.1	Very low	102 Å²	102	135.3 Å²	135.3	84%	0.843	79%	0.79	S	S	*	*			trans	63.6	170.3	149	0	0	0	0	0	117.8
663	A	24.9	Very low	27.1	Very low	83 Å²	83	135.2 Å²	135.2	69%	0.686	79%	0.785	S	S	*	*			cis	-155.8	167.1	9.2	0	0	0	0	0	114.8
664	L	24.4	Very low	27.2	Very low	175 Å²	175	137.2 Å²	137.2	92%	0.916	79%	0.788	S	S	*	*			trans	78.4	162.7	150	-72	159.1	0	0	0	121.7
665	S	26.1	Very low	27.2	Very low	101 Å²	101	140.4 Å²	140.4	71%	0.706	79%	0.786	S	S	*	*			trans	-137.4	-171.1	-161.5	64.1	0	0	0	0	109.4
666	P	34.7	Very low	27	Very low	106 Å²	106	143 Å²	143	69%	0.688	79%	0.788	S	S	*	*			cis	-150.8	-178.7	24.2	40.6	-16.2	0	0	0	120.7
667	S	24.9	Very low	26.8	Very low	93 Å²	93	140.2 Å²	140.2	65%	0.65	78%	0.779	S	S	*	*			trans	74	130.4	141	54.6	0	0	0	0	125.4
668	Q	25	Very low	26.8	Very low	182 Å²	182	141.4 Å²	141.4	85%	0.85	77%	0.772	S	S	*	*			trans	70.6	151.9	143.6	-74.2	175.3	-17.8	0	0	119.7
669	V	24.8	Very low	26.8	Very low	113 Å²	113	139.5 Å²	139.5	69%	0.685	77%	0.773	S	S	*	*			cis	-162.3	151.2	-25.6	116.6	0	0	0	0	110.1
670	E	22.6	Very low	26.4	Very low	182 Å²	182	139.3 Å²	139.3	85%	0.85	78%	0.781	S	S	*	*			trans	62	-177.9	162.9	-76.4	164.2	-163.5	0	0	121.9
671	V	27.2	Very low	26.2	Very low	134 Å²	134	142.4 Å²	142.4	81%	0.812	78%	0.783	S	S	*	*			trans	-149.6	139	-150.9	171.4	0	0	0	0	107
672	P	34.6	Very low	26.3	Very low	110 Å²	110	138.2 Å²	138.2	71%	0.714	78%	0.779	S	S	*	*				-154.1	169.9	69.8	41.3	-19.2	0	0	0	120.4
673	E	25.8	Very low	26.2	Very low	170 Å²	170	140.1 Å²	140.1	79%	0.794	78%	0.781	S	S	*	*			trans	29.3	145.1	144	-60.5	178.6	137.5	0	0	124.8
674	D	25.8	Very low	27	Very low	144 Å²	144	142.3 Å²	142.3	77%	0.77	79%	0.788	S	S	*	*			trans	62.2	158	157.9	-54.2	-16.3	0	0	0	120.8
675	E	25.8	Very low	27.2	Very low	162 Å²	162	137.2 Å²	137.2	76%	0.757	78%	0.778	S	S	*	*			cis	-154.3	158.4	-38.3	-110.2	-153.6	144.5	0	0	109.3
676	E	26.2	Very low	27.3	Very low	175 Å²	175	138.7 Å²	138.7	82%	0.818	79%	0.788	S	S	*	*			trans	59.7	163.4	168.9	-57.6	-172.9	143.2	0	0	117.7
677	D	25.1	Very low	27.4	Very low	123 Å²	123	137.9 Å²	137.9	66%	0.658	79%	0.79	S	S	*	*			cis	-146.2	-170.1	-3.8	-155.7	7.9	0	0	0	113.2
678	Y	25.2	Very low	27.8	Very low	202 Å²	202	140.3 Å²	140.3	79%	0.792	80%	0.796	S	S	*	*			trans	-47.3	157	176.9	-54.8	-86	0	0	0	115.7
679	T	24	Very low	28.3	Very low	136 Å²	136	138.8 Å²	138.8	83%	0.834	79%	0.792	S	S	*	*			cis	-156.4	163.3	40.6	43.3	0	0	0	0	112.3
680	A	25.4	Very low	29.2	Very low	102 Å²	102	140.9 Å²	140.9	84%	0.843	80%	0.798	S	S	*	*			trans	-137.2	134.4	162.8	0	0	0	0	0	110.4
681	Q	25	Very low	30.1	Very low	197 Å²	197	140.6 Å²	140.6	92%	0.921	80%	0.797	S	S	*	*			trans	-90.8	157.1	-179.1	-74.3	-179.2	-28.8	0	0	112.5
682	S	27.4	Very low	31.2	Very low	110 Å²	110	140.1 Å²	140.1	77%	0.769	80%	0.795	S	S	*	*			trans	-92.2	149.9	-178.6	52.2	0	0	0	0	113.2
683	T	26.1	Very low	32.2	Very low	143 Å²	143	138.1 Å²	138.1	88%	0.877	78%	0.784	S	S	*	*			trans	-168	155.3	141.4	14.7	0	0	0	0	109.4
684	P	40.3	Very low	34.6	Very low	128 Å²	128	135.8 Å²	135.8	83%	0.831	78%	0.781	S	S	*	*			trans	-131.1	173.4	-146.4	42.9	-28.9	0	0	0	116.6
685	G	28.6	Very low	37.2	Very low	69 Å²	69	131.1 Å²	131.1	71%	0.711	76%	0.758	S	S	*	*				127.9	109.4	127.5	0	0	0	0	0	118.2
686	S	29.6	Very low	40	Very low	131 Å²	131	126.5 Å²	126.5	92%	0.916	74%	0.737	S	S	*	*				-158.6	155.3	126.4	-86.4	0	0	0	0	111.1
687	A	36.4	Very low	42.8	Very low	89 Å²	89	123.5 Å²	123.5	74%	0.736	73%	0.733	S	S	*	*			trans	-76.3	176.6	-172.5	0	0	0	0	0	111.7
688	N	32.2	Very low	45.8	Very low	145 Å²	145	119.1 Å²	119.1	78%	0.775	71%	0.708	S	S	*	*			cis	-168.4	174.9	35.4	-156.2	0.5	0	0	0	114.7
689	I	35.2	Very low	48.7	Very low	149 Å²	149	110.1 Å²	110.1	76%	0.764	68%	0.675	S	S	*	*			trans	84.5	130.9	166.8	-55.4	175	0	0	0	116.1
690	L	44.6	Very low	51.5	Low	157 Å²	157	104.4 Å²	104.4	82%	0.822	64%	0.642	S	S	*	*			trans	-85.9	135.5	179	-71.6	77.6	0	0	0	111.8
691	Q	41.5	Very low	54.2	Low	176 Å²	176	106.4 Å²	106.4	82%	0.822	64%	0.639	S	S	*	*			trans	-138.2	128.2	145.9	-169.1	76.5	43.8	0	0	106.8	S693	Q691-S693 PolarHBondContact O-N 3.32Å
692	T	50.6	Low	57	Low	125 Å²	125	104 Å²	104	77%	0.767	63%	0.626	S	S	*	*			trans	-72.4	95	-178.4	31.3	0	0	0	0	111.1	V694	T692-V694 PolarHBondContact O-N 2.74Å
693	S	54.8	Low	59.4	Low	68 Å²	68	100 Å²	100	48%	0.476	60%	0.601	S	S	.	*			trans	-71.8	94.7	177.9	54.2	0	0	0	0	111.3	Q691 C695	Q691-S693 PolarHBondContact O-N 3.32Å; S693-C695 PolarHBondContact O-N 2.01Å
694	V	76.6	Confident	62.2	Low	121 Å²	121	94.1 Å²	94.1	73%	0.733	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-63.6	117.7	166.3	-179.4	0	0	0	0	108.2	T692 P707	T692-V694 PolarHBondContact O-N 2.74Å; V694-P707 WeakPolarHBondContact O-CA 3.36Å; V694-P707 WeakPolarHBondContact O-CB 3.24Å
695	C	80.6	Confident	64.3	Low	45 Å²	45	93.8 Å²	93.8	30%	0.304	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-65.1	154.3	179	-64.3	0	0	0	0	112.3	S693 C699 C704	S693-C695 PolarHBondContact O-N 2.01Å; C695-C699 HydrophobicContact CB-CB 4.06Å; C695-C704 WeakPolarHBondContact CA-SG 3.26Å; C695-C704 HydrophobicContact CB-CB 3.76Å; C695-C704 WeakPolarHBondContact CB-SG 3.17Å; C695-C704 WeakPolarHBondContact SG-CB 3.37Å; C695-C704 PolarHBondContact SG-N 2.84Å; C695-C704 CovalentContact SG-SG 2.03Å; C695-C704 PolarHBondContact SG-SG 3.4Å
696	H	83.6	Confident	66.8	Low	65 Å²	65	90.7 Å²	90.7	30%	0.301	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-58.7	141.1	172.1	-167.8	-95.2	0	0	0	110.6	E698 C699 P707 A709	H696-E698 PolarHBondContact ND1-N 2.89Å; H696-E698 PolarHBondContact O-N 3.39Å; H696-C699 VanDerWaalsContact O-CB 3.25Å; H696-C699 WeakPolarHBondContact O-CB 3.3Å; H696-C699 PolarHBondContact O-N 2.99Å; H696-C699 PolarHBondContact O-SG 2.78Å; H696-C699 VanDerWaalsContact O-SG 3.35Å; H696-P707 WeakPolarHBondContact CB-O 3.4Å; H696-A709 HydrophobicContact CB-CB 4.5Å
697	P	85.7	Confident	69.3	Low	113 Å²	113	87.9 Å²	87.9	73%	0.734	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-17	-177.6	-27.8	36.2	0	0	0	116.2
698	E	87.4	Confident	71.4	Confident	30 Å²	30	87.8 Å²	87.8	14%	0.14	49%	0.491	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-5.3	174.1	-62.2	-65.6	155.6	0	0	113.7	H696 C715 V716 H717 C729 S731	H696-E698 PolarHBondContact ND1-N 2.89Å; H696-E698 PolarHBondContact O-N 3.39Å; E698-C715 WeakPolarHBondContact O-CA 3.39Å; E698-V716 PolarHBondContact O-N 2.03Å; E698-H717 IonicContact OE1-ND1 3.76Å; E698-H717 IonicContact OE2-CE1 3.22Å; E698-H717 IonicContact OE2-CG 3.66Å; E698-H717 IonicContact OE2-ND1 3.86Å; E698-H717 PolarHBondContact OE2-ND1 3.07Å; E698-C729 HydrophobicContact CB-CB 3.78Å; E698-S731 WeakPolarHBondContact OE1-CB 3.42Å; E698-S731 PolarHBondContact OE1-OG 2.93Å; E698-S731 PolarHBondContact OE2-N 3.12Å
699	C	87	Confident	73.8	Confident	14 Å²	14	81.1 Å²	81.1	10%	0.095	46%	0.456	C	S	.	.	B	Isolated β-bridge	trans	-72.3	135.7	172.1	-57.9	0	0	0	0	109.9	C695 H696 C712 N714 V716	C695-C699 HydrophobicContact CB-CB 4.06Å; H696-C699 VanDerWaalsContact O-CB 3.25Å; H696-C699 WeakPolarHBondContact O-CB 3.3Å; H696-C699 PolarHBondContact O-N 2.99Å; H696-C699 PolarHBondContact O-SG 2.78Å; H696-C699 VanDerWaalsContact O-SG 3.35Å; C699-C712 WeakPolarHBondContact CA-SG 3.46Å; C699-C712 HydrophobicContact CB-CB 3.61Å; C699-C712 WeakPolarHBondContact CB-SG 3.16Å; C699-C712 PolarHBondContact N-SG 2.69Å; C699-C712 WeakPolarHBondContact SG-CA 3.29Å; C699-C712 WeakPolarHBondContact SG-CB 3.45Å; C699-C712 CovalentContact SG-SG 2.03Å; C699-C712 PolarHBondContact SG-SG 3.38Å; C699-N714 WeakPolarHBondContact CA-O 3.46Å; C699-V716 WeakPolarHBondContact O-CG2 3.38Å
700	G	82.1	Confident	76.2	Confident	15 Å²	15	77.8 Å²	77.8	16%	0.155	44%	0.44	C	S	.	.			trans	-83.2	-169.3	179.1	0	0	0	0	0	114.3	K702 G703 N714	G700-K702 PolarHBondContact O-N 2.95Å; G700-G703 PolarHBondContact O-N 3.42Å; G700-N714 WeakPolarHBondContact CA-OD1 3.42Å; G700-N714 PolarHBondContact N-O 2.86Å; G700-N714 PolarHBondContact N-OD1 2.99Å
701	D	83.6	Confident	78.1	Confident	144 Å²	144	73.2 Å²	73.2	77%	0.77	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-17.7	179.2	60	-54.3	0	0	0	115.3	G703 N714	D701-G703 VanDerWaalsContact C-N 3.34Å; D701-N714 PolarHBondContact N-OD1 3.47Å; D701-N714 PolarHBondContact OD1-ND2 3Å
702	K	82.8	Confident	80.2	Confident	148 Å²	148	65 Å²	65	64%	0.643	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-1.2	177.5	-57.7	-169.5	176.9	-169	0	113.9	G700 L713 N714	G700-K702 PolarHBondContact O-N 2.95Å; K702-L713 HydrophobicContact CB-CB 4.16Å; K702-L713 VanDerWaalsContact O-CD1 3.3Å; K702-L713 WeakPolarHBondContact O-CD1 3.41Å; K702-N714 HydrophobicContact CB-CB 4.4Å; K702-N714 WeakPolarHBondContact CB-OD1 3.04Å; K702-N714 HydrophobicContact CD-CB 4.43Å; K702-N714 HydrophobicContact CG-CB 4.49Å; K702-N714 PolarHBondContact N-OD1 2.89Å
703	G	78.8	Confident	81.7	Confident	24 Å²	24	62.5 Å²	62.5	25%	0.247	36%	0.358	C	S	.	.			trans	81.4	-155.3	175.1	0	0	0	0	0	114.5	G700 D701 L713	G700-G703 PolarHBondContact O-N 3.42Å; D701-G703 VanDerWaalsContact C-N 3.34Å; G703-L713 WeakPolarHBondContact O-CB 3.42Å; G703-L713 PolarHBondContact O-N 3.05Å
704	C	84.8	Confident	83.2	Confident	21 Å²	21	60.6 Å²	60.6	14%	0.142	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-154.2	156.5	-172.2	67.5	0	0	0	0	112.6	C695 G706 Q711	C695-C704 WeakPolarHBondContact CA-SG 3.26Å; C695-C704 HydrophobicContact CB-CB 3.76Å; C695-C704 WeakPolarHBondContact CB-SG 3.17Å; C695-C704 WeakPolarHBondContact SG-CB 3.37Å; C695-C704 PolarHBondContact SG-N 2.84Å; C695-C704 CovalentContact SG-SG 2.03Å; C695-C704 PolarHBondContact SG-SG 3.4Å; C704-G706 VanDerWaalsContact C-N 3.31Å; C704-G706 WeakPolarHBondContact CB-O 3.25Å; C704-G706 PolarHBondContact SG-O 3.22Å; C704-Q711 CarbonylContact C-O 3.57Å; C704-Q711 VanDerWaalsContact CA-O 3.24Å; C704-Q711 WeakPolarHBondContact CA-O 3.46Å; C704-Q711 WeakPolarHBondContact CB-O 3.49Å
705	D	84.3	Confident	83.7	Confident	120 Å²	120	55.5 Å²	55.5	64%	0.642	31%	0.312	S	S	*	.	S	Bend	trans	-91	3.9	170.5	-51.2	-51	0	0	0	112	Q711 L713	D705-Q711 PolarHBondContact N-O 3.17Å; D705-L713 WeakPolarHBondContact OD2-CD2 3.48Å
706	G	80.4	Confident	84.1	Confident	5 Å²	5	56.3 Å²	56.3	5%	0.052	32%	0.315	C	S	.	.	S	Bend	trans	169.5	174.2	-179.4	0	0	0	0	0	113.7	C704 N708	C704-G706 VanDerWaalsContact C-N 3.31Å; C704-G706 WeakPolarHBondContact CB-O 3.25Å; C704-G706 PolarHBondContact SG-O 3.22Å; G706-N708 VanDerWaalsContact C-N 3.28Å; G706-N708 PolarHBondContact O-N 3.28Å
707	P	82.2	Confident	84.3	Confident	72 Å²	72	57.4 Å²	57.4	47%	0.468	32%	0.32	S	S	.	.	S	Bend	trans	-76.7	-4	-168.6	31.5	-37.3	0	0	0	115.2	V694 H696	V694-P707 WeakPolarHBondContact O-CA 3.36Å; V694-P707 WeakPolarHBondContact O-CB 3.24Å; H696-P707 WeakPolarHBondContact CB-O 3.4Å
708	N	80.6	Confident	84.6	Confident	86 Å²	86	53.8 Å²	53.8	46%	0.46	29%	0.293	S	S	.	.	S	Bend	trans	-94.5	151.9	-175.8	-59.4	-74.5	0	0	0	112.9	G706 D710 Q711	G706-N708 VanDerWaalsContact C-N 3.28Å; G706-N708 PolarHBondContact O-N 3.28Å; N708-D710 VanDerWaalsContact CB-OD1 3.31Å; N708-D710 WeakPolarHBondContact CB-OD1 3.47Å; N708-D710 PolarHBondContact O-N 2.04Å; N708-Q711 HydrophobicContact CB-CG 4.2Å; N708-Q711 PolarHBondContact ND2-OE1 2.86Å; N708-Q711 WeakPolarHBondContact O-CB 3.42Å; N708-Q711 PolarHBondContact O-N 2.9Å
709	A	82.6	Confident	84.6	Confident	6 Å²	6	53.4 Å²	53.4	5%	0.05	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-17	-178.1	0	0	0	0	0	115.5	H696 K728 C729	H696-A709 HydrophobicContact CB-CB 4.5Å; A709-K728 HydrophobicContact CB-CD 4.5Å; A709-K728 HydrophobicContact CB-CG 3.97Å; A709-C729 PolarHBondContact O-N 2.8Å
710	D	85	Confident	84.6	Confident	78 Å²	78	54.8 Å²	54.8	42%	0.417	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-3.3	175.4	53	-43.6	0	0	0	113.8	N708 R727 K728	N708-D710 VanDerWaalsContact CB-OD1 3.31Å; N708-D710 WeakPolarHBondContact CB-OD1 3.47Å; N708-D710 PolarHBondContact O-N 2.04Å; D710-R727 WeakPolarHBondContact CA-O 3.03Å; D710-K728 HydrophobicContact CB-CB 4.17Å; D710-K728 HydrophobicContact CB-CG 4.23Å
711	Q	85.1	Confident	84.3	Confident	62 Å²	62	55.5 Å²	55.5	29%	0.29	31%	0.307	S	S	.	.	S	Bend	trans	-102.1	7.9	174.2	-57.7	179.7	-73.5	0	0	112.5	C704 D705 N708	C704-Q711 CarbonylContact C-O 3.57Å; C704-Q711 VanDerWaalsContact CA-O 3.24Å; C704-Q711 WeakPolarHBondContact CA-O 3.46Å; C704-Q711 WeakPolarHBondContact CB-O 3.49Å; D705-Q711 PolarHBondContact N-O 3.17Å; N708-Q711 HydrophobicContact CB-CG 4.2Å; N708-Q711 PolarHBondContact ND2-OE1 2.86Å; N708-Q711 WeakPolarHBondContact O-CB 3.42Å; N708-Q711 PolarHBondContact O-N 2.9Å
712	C	84.6	Confident	83.6	Confident	2 Å²	2	51 Å²	51	1%	0.014	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-74.3	137.2	176.3	-58	0	0	0	0	111.9	C699 N714 R727 C729	C699-C712 WeakPolarHBondContact CA-SG 3.46Å; C699-C712 HydrophobicContact CB-CB 3.61Å; C699-C712 WeakPolarHBondContact CB-SG 3.16Å; C699-C712 PolarHBondContact N-SG 2.69Å; C699-C712 WeakPolarHBondContact SG-CA 3.29Å; C699-C712 WeakPolarHBondContact SG-CB 3.45Å; C699-C712 CovalentContact SG-SG 2.03Å; C699-C712 PolarHBondContact SG-SG 3.38Å; C712-N714 WeakPolarHBondContact CB-O 3.35Å; C712-R727 PolarHBondContact O-NH2 2.85Å; C712-C729 WeakPolarHBondContact CB-SG 3.33Å
713	L	82.9	Confident	82.6	Confident	73 Å²	73	49.6 Å²	49.6	38%	0.382	29%	0.291	S	S	.	.	S	Bend	trans	-77.7	-28.9	177.7	-69.8	171.8	0	0	0	112.6	K702 G703 D705 R727	K702-L713 HydrophobicContact CB-CB 4.16Å; K702-L713 VanDerWaalsContact O-CD1 3.3Å; K702-L713 WeakPolarHBondContact O-CD1 3.41Å; G703-L713 WeakPolarHBondContact O-CB 3.42Å; G703-L713 PolarHBondContact O-N 3.05Å; D705-L713 WeakPolarHBondContact OD2-CD2 3.48Å; L713-R727 VanDerWaalsContact O-CZ 3.28Å; L713-R727 PolarHBondContact O-NH1 3.23Å; L713-R727 PolarHBondContact O-NH2 3.35Å
714	N	86.7	Confident	81.8	Confident	29 Å²	29	58.3 Å²	58.3	16%	0.155	32%	0.322	C	S	.	.	S	Bend	trans	-144.6	171.2	160.7	69.8	-27.9	0	0	0	111.3	C699 G700 D701 K702 C712	C699-N714 WeakPolarHBondContact CA-O 3.46Å; G700-N714 WeakPolarHBondContact CA-OD1 3.42Å; G700-N714 PolarHBondContact N-O 2.86Å; G700-N714 PolarHBondContact N-OD1 2.99Å; D701-N714 PolarHBondContact N-OD1 3.47Å; D701-N714 PolarHBondContact OD1-ND2 3Å; K702-N714 HydrophobicContact CB-CB 4.4Å; K702-N714 WeakPolarHBondContact CB-OD1 3.04Å; K702-N714 HydrophobicContact CD-CB 4.43Å; K702-N714 HydrophobicContact CG-CB 4.49Å; K702-N714 PolarHBondContact N-OD1 2.89Å; C712-N714 WeakPolarHBondContact CB-O 3.35Å
715	C	87.8	Confident	80.8	Confident	14 Å²	14	62 Å²	62	10%	0.095	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-110.8	144.2	-178.8	-52.2	0	0	0	0	111.4	E698 C729	E698-C715 WeakPolarHBondContact O-CA 3.39Å; C715-C729 WeakPolarHBondContact CA-SG 3.4Å; C715-C729 HydrophobicContact CB-CB 3.58Å; C715-C729 WeakPolarHBondContact CB-SG 3.41Å; C715-C729 WeakPolarHBondContact SG-CA 3.03Å; C715-C729 WeakPolarHBondContact SG-CB 3.42Å; C715-C729 CovalentContact SG-SG 2.03Å; C715-C729 PolarHBondContact SG-SG 3.04Å
716	V	87.8	Confident	80	Confident	62 Å²	62	59.9 Å²	59.9	38%	0.376	34%	0.339	S	S	.	.	S	Bend	trans	-65.3	-50.9	172.2	178.9	0	0	0	0	110.9	E698 C699	E698-V716 PolarHBondContact O-N 2.03Å; C699-V716 WeakPolarHBondContact O-CG2 3.38Å
717	H	88.6	Confident	80	Confident	87 Å²	87	63.1 Å²	63.1	40%	0.403	35%	0.349	S	S	.	.	S	Bend	trans	-103	-84.4	-173.4	-59.2	106.1	0	0	0	112.4	E698 V730	E698-H717 IonicContact OE1-ND1 3.76Å; E698-H717 IonicContact OE2-CE1 3.22Å; E698-H717 IonicContact OE2-CG 3.66Å; E698-H717 IonicContact OE2-ND1 3.86Å; E698-H717 PolarHBondContact OE2-ND1 3.07Å; H717-V730 WeakPolarHBondContact CB-O 3.3Å
718	F	90.8	Very high	80.4	Confident	37 Å²	37	64.5 Å²	64.5	16%	0.162	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	141.1	-177.6	-55.7	-82.8	0	0	0	112.5	V730 S731 T741 R744	F718-V730 HydrophobicContact CB-CG2 4.21Å; F718-V730 PolarHBondContact N-O 3.09Å; F718-V730 PolarHBondContact O-N 3.06Å; F718-S731 WeakPolarHBondContact CD2-O 3.26Å; F718-T741 HydrophobicContact CE1-CG2 4.28Å; F718-T741 HydrophobicContact CZ-CG2 4.36Å; F718-R744 WeakPolarHBondContact CA-O 3.21Å
719	S	88.7	Confident	80.8	Confident	22 Å²	22	60.6 Å²	60.6	15%	0.154	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	129.5	164.7	56.4	0	0	0	0	111.5	R744 R745 C746	S719-R744 PolarHBondContact N-O 2.9Å; S719-R744 PolarHBondContact OG-O 3.25Å; S719-R744 VanDerWaalsContact OG-O 3.12Å; S719-R745 CarbonylContact O-C 3.48Å; S719-R745 VanDerWaalsContact O-CA 3.3Å; S719-R745 WeakPolarHBondContact O-CA 3.38Å; S719-R745 WeakPolarHBondContact O-CB 2.98Å; S719-R745 WeakPolarHBondContact OG-CB 3.32Å; S719-C746 PolarHBondContact O-N 3.3Å
720	L	86.6	Confident	81.2	Confident	43 Å²	43	61.7 Å²	61.7	23%	0.225	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	125.5	170.7	-175.6	66.9	0	0	0	108.8	R727 K728 V730 P734 Y737 C746	L720-R727 WeakPolarHBondContact O-CA 3.09Å; L720-K728 WeakPolarHBondContact CB-O 2.95Å; L720-K728 PolarHBondContact N-O 2.03Å; L720-K728 PolarHBondContact O-N 2.94Å; L720-V730 HydrophobicContact CB-CG2 4.31Å; L720-P734 HydrophobicContact CD1-CG 3.86Å; L720-P734 HydrophobicContact CD2-CG 3.87Å; L720-Y737 HydrophobicContact CD1-CD1 4.17Å; L720-Y737 HydrophobicContact CD1-CE1 4.22Å; L720-Y737 HydrophobicContact CD1-CG 4.4Å; L720-C746 HydrophobicContact CD1-CB 3.76Å
721	G	75.1	Confident	81.3	Confident	30 Å²	30	60.7 Å²	60.7	31%	0.309	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	88.6	-149	-176.9	0	0	0	0	0	114.1	R745	G721-R745 PolarHBondContact O-NH2 2.03Å
722	S	68.8	Low	81.4	Confident	50 Å²	50	63.2 Å²	63.2	35%	0.35	35%	0.352	S	S	.	.			trans	-153.6	163.9	179.8	-170.8	0	0	0	0	109.2	K724 T725 S726	S722-K724 PolarHBondContact O-N 3.47Å; S722-T725 PolarHBondContact N-OG1 3.39Å; S722-T725 CarbonylContact O-C 3.58Å; S722-T725 PolarHBondContact O-N 2.89Å; S722-T725 PolarHBondContact O-OG1 3.06Å; S722-S726 CarbonylContact O-C 3.36Å; S722-S726 PolarHBondContact O-N 3.49Å
723	V	63.2	Low	81.6	Confident	118 Å²	118	64 Å²	64	72%	0.715	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-56.3	-39.6	178.8	-175.4	0	0	0	0	111.1	T725	V723-T725 PolarHBondContact O-N 2.95Å
724	K	61.2	Low	81.7	Confident	208 Å²	208	63.1 Å²	63.1	90%	0.904	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-69.7	-5.1	175.7	-63.2	-175.3	179.5	178.9	0	115	S722	S722-K724 PolarHBondContact O-N 3.47Å
725	T	62.8	Low	81.7	Confident	99 Å²	99	67.5 Å²	67.5	61%	0.607	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-132.2	16.2	-174.4	73.2	0	0	0	0	113.6	S722 V723	S722-T725 PolarHBondContact N-OG1 3.39Å; S722-T725 CarbonylContact O-C 3.58Å; S722-T725 PolarHBondContact O-N 2.89Å; S722-T725 PolarHBondContact O-OG1 3.06Å; V723-T725 PolarHBondContact O-N 2.95Å
726	S	67.9	Low	81.5	Confident	75 Å²	75	66.8 Å²	66.8	52%	0.524	37%	0.374	S	S	.	.			trans	59.8	130.6	-155.7	-170.1	0	0	0	0	113.1	S722	S722-S726 CarbonylContact O-C 3.36Å; S722-S726 PolarHBondContact O-N 3.49Å
727	R	81.9	Confident	81.6	Confident	72 Å²	72	68 Å²	68	27%	0.272	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	116.5	-177.8	176.9	-171.9	64.3	177.5	-4.1	108.6	D710 C712 L713 L720	D710-R727 WeakPolarHBondContact CA-O 3.03Å; C712-R727 PolarHBondContact O-NH2 2.85Å; L713-R727 VanDerWaalsContact O-CZ 3.28Å; L713-R727 PolarHBondContact O-NH1 3.23Å; L713-R727 PolarHBondContact O-NH2 3.35Å; L720-R727 WeakPolarHBondContact O-CA 3.09Å
728	K	89	Confident	81.7	Confident	102 Å²	102	65.5 Å²	65.5	44%	0.443	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.3	178.5	-171.2	166.4	-175.4	163.2	0	111.6	A709 D710 L720	A709-K728 HydrophobicContact CB-CD 4.5Å; A709-K728 HydrophobicContact CB-CG 3.97Å; D710-K728 HydrophobicContact CB-CB 4.17Å; D710-K728 HydrophobicContact CB-CG 4.23Å; L720-K728 WeakPolarHBondContact CB-O 2.95Å; L720-K728 PolarHBondContact N-O 2.03Å; L720-K728 PolarHBondContact O-N 2.94Å
729	C	90.2	Very high	81.5	Confident	4 Å²	4	65.2 Å²	65.2	3%	0.027	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	136.6	174.7	-60.7	0	0	0	0	111.3	E698 A709 C712 C715	E698-C729 HydrophobicContact CB-CB 3.78Å; A709-C729 PolarHBondContact O-N 2.8Å; C712-C729 WeakPolarHBondContact CB-SG 3.33Å; C715-C729 WeakPolarHBondContact CA-SG 3.4Å; C715-C729 HydrophobicContact CB-CB 3.58Å; C715-C729 WeakPolarHBondContact CB-SG 3.41Å; C715-C729 WeakPolarHBondContact SG-CA 3.03Å; C715-C729 WeakPolarHBondContact SG-CB 3.42Å; C715-C729 CovalentContact SG-SG 2.03Å; C715-C729 PolarHBondContact SG-SG 3.04Å
730	V	89.7	Confident	81.4	Confident	28 Å²	28	65.2 Å²	65.2	17%	0.17	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	140.7	-180	-62.8	0	0	0	0	110.9	H717 F718 L720 V732	H717-V730 WeakPolarHBondContact CB-O 3.3Å; F718-V730 HydrophobicContact CB-CG2 4.21Å; F718-V730 PolarHBondContact N-O 3.09Å; F718-V730 PolarHBondContact O-N 3.06Å; L720-V730 HydrophobicContact CB-CG2 4.31Å; V730-V732 WeakPolarHBondContact CG2-O 3.01Å
731	S	87	Confident	81.1	Confident	58 Å²	58	68.4 Å²	68.4	41%	0.406	39%	0.388	S	S	.	.	S	Bend	trans	-69.9	-34.6	174.2	31.8	0	0	0	0	113.1	E698 F718	E698-S731 WeakPolarHBondContact OE1-CB 3.42Å; E698-S731 PolarHBondContact OE1-OG 2.93Å; E698-S731 PolarHBondContact OE2-N 3.12Å; F718-S731 WeakPolarHBondContact CD2-O 3.26Å
732	V	87.7	Confident	81.3	Confident	114 Å²	114	71.7 Å²	71.7	69%	0.691	41%	0.411	S	S	*	.	S	Bend	trans	-132.4	138.3	178.4	-174.9	0	0	0	0	109.1	V730	V730-V732 WeakPolarHBondContact CG2-O 3.01Å
733	C	88.3	Confident	81.9	Confident	20 Å²	20	71.5 Å²	71.5	14%	0.135	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-69.8	137.7	178.1	-68.8	0	0	0	0	112.1	G739 C746	C733-G739 VanDerWaalsContact SG-CA 3.58Å; C733-C746 WeakPolarHBondContact CA-SG 3.33Å; C733-C746 HydrophobicContact CB-CB 3.79Å; C733-C746 WeakPolarHBondContact CB-SG 3Å; C733-C746 WeakPolarHBondContact SG-CA 3.26Å; C733-C746 WeakPolarHBondContact SG-CB 3.48Å; C733-C746 CovalentContact SG-SG 2.04Å; C733-C746 PolarHBondContact SG-SG 2.83Å
734	P	86.8	Confident	82.9	Confident	53 Å²	53	73.5 Å²	73.5	34%	0.344	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-72.5	159.7	-178.5	31.5	-36.8	0	0	0	112.1	L720 G736 Y737	L720-P734 HydrophobicContact CD1-CG 3.86Å; L720-P734 HydrophobicContact CD2-CG 3.87Å; P734-G736 PolarHBondContact O-N 2.89Å; P734-Y737 HydrophobicContact CG-CD2 4.15Å; P734-Y737 WeakPolarHBondContact O-CB 3.43Å; P734-Y737 PolarHBondContact O-N 2.6Å
735	L	85.9	Confident	84.2	Confident	121 Å²	121	68.2 Å²	68.2	63%	0.634	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	136.2	178.3	-64.4	178.6	0	0	0	112.2	E754 T755	L735-E754 HydrophobicContact CB-CG 4.26Å; L735-E754 HydrophobicContact CD1-CG 4.45Å; L735-E754 HydrophobicContact CD2-CG 4.36Å; L735-T755 HydrophobicContact CD2-CG2 3.88Å
736	G	84.6	Confident	85.5	Confident	0 Å²	0	64 Å²	64	0%	0	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	3	-172.7	0	0	0	0	0	115.1	P734 C749 E754 R768	P734-G736 PolarHBondContact O-N 2.89Å; G736-C749 PolarHBondContact O-N 3.03Å; G736-E754 WeakPolarHBondContact CA-O 3.42Å; G736-E754 PolarHBondContact N-O 3.05Å; G736-R768 PolarHBondContact O-NH2 2.89Å
737	Y	89.2	Confident	86.5	Confident	86 Å²	86	64.6 Å²	64.6	34%	0.337	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	151	173.1	-62	-109	0	0	0	110.2	L720 P734 C746 R747 R748	L720-Y737 HydrophobicContact CD1-CD1 4.17Å; L720-Y737 HydrophobicContact CD1-CE1 4.22Å; L720-Y737 HydrophobicContact CD1-CG 4.4Å; P734-Y737 HydrophobicContact CG-CD2 4.15Å; P734-Y737 WeakPolarHBondContact O-CB 3.43Å; P734-Y737 PolarHBondContact O-N 2.6Å; Y737-C746 HydrophobicContact CD1-CB 4.13Å; Y737-C746 HydrophobicContact CG-CB 4.38Å; Y737-R747 CarbonylContact C-O 3.53Å; Y737-R747 WeakPolarHBondContact CA-O 3.48Å; Y737-R747 WeakPolarHBondContact CB-O 3.14Å; Y737-R748 HydrophobicContact CD1-CB 3.98Å; Y737-R748 HydrophobicContact CE1-CB 3.82Å; Y737-R748 HydrophobicContact CE1-CG 4.24Å
738	F	89.8	Confident	86.8	Confident	36 Å²	36	68.6 Å²	68.6	16%	0.158	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	153.5	169.7	70.6	-79.2	0	0	0	110.3	D740 C746 R747 C756 S758 R759	F738-D740 PolarHBondContact O-N 3.42Å; F738-C746 CarbonylContact O-C 3.56Å; F738-C746 WeakPolarHBondContact O-CA 3.04Å; F738-R747 HydrophobicContact CD1-CB 4.08Å; F738-R747 WeakPolarHBondContact CD1-O 3.08Å; F738-R747 HydrophobicContact CE1-CB 3.5Å; F738-R747 HydrophobicContact CE2-CB 4.29Å; F738-R747 HydrophobicContact CZ-CB 3.63Å; F738-R747 HydrophobicContact CZ-CG 4.37Å; F738-R747 PolarHBondContact N-O 3.49Å; F738-R747 PolarHBondContact O-N 2.67Å; F738-C756 WeakPolarHBondContact CB-O 3.3Å; F738-C756 WeakPolarHBondContact CD1-SG 3.36Å; F738-S758 VanDerWaalsContact CE1-C 3.46Å; F738-R759 HydrophobicContact CE1-CG 3.78Å; F738-R759 HydrophobicContact CZ-CG 4.04Å
739	G	87.9	Confident	86.9	Confident	31 Å²	31	64 Å²	64	32%	0.32	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	112.9	175.2	0	0	0	0	0	111	C733 T741	C733-G739 VanDerWaalsContact SG-CA 3.58Å; G739-T741 PolarHBondContact O-N 2.88Å
740	D	84.8	Confident	86.8	Confident	21 Å²	21	67.9 Å²	67.9	11%	0.112	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	109.2	161	176.3	-5.6	0	0	0	107.8	F738 A742 A743 R744 R745 R747	F738-D740 PolarHBondContact O-N 3.42Å; D740-A742 WeakPolarHBondContact OD1-CB 3.12Å; D740-A742 PolarHBondContact OD1-N 2.04Å; D740-A743 HydrophobicContact CB-CB 4.5Å; D740-A743 PolarHBondContact OD1-N 3.35Å; D740-A743 WeakPolarHBondContact OD2-CB 3.33Å; D740-R744 WeakPolarHBondContact O-CA 3.44Å; D740-R744 PolarHBondContact O-N 3.39Å; D740-R745 WeakPolarHBondContact CB-O 3.26Å; D740-R745 PolarHBondContact N-O 2.03Å; D740-R745 PolarHBondContact O-N 3.29Å; D740-R747 HydrophobicContact CB-CG 3.98Å; D740-R747 IonicContact OD2-CZ 3.73Å; D740-R747 IonicContact OD2-NE 3.57Å; D740-R747 PolarHBondContact OD2-NE 2.77Å; D740-R747 IonicContact OD2-NH2 3.91Å; D740-R747 PolarHBondContact OD2-NH2 2.8Å
741	T	81.3	Confident	86.5	Confident	111 Å²	111	74.6 Å²	74.6	68%	0.681	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-28.8	-179.4	48.9	0	0	0	0	112.9	F718 G739	F718-T741 HydrophobicContact CE1-CG2 4.28Å; F718-T741 HydrophobicContact CZ-CG2 4.36Å; G739-T741 PolarHBondContact O-N 2.88Å
742	A	80.4	Confident	86.4	Confident	98 Å²	98	72 Å²	72	81%	0.81	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-42.1	177.8	0	0	0	0	0	111.1	D740	D740-A742 WeakPolarHBondContact OD1-CB 3.12Å; D740-A742 PolarHBondContact OD1-N 2.04Å
743	A	80.3	Confident	86.4	Confident	46 Å²	46	66.7 Å²	66.7	38%	0.38	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	8.9	177.2	0	0	0	0	0	114.5	D740 R745	D740-A743 HydrophobicContact CB-CB 4.5Å; D740-A743 PolarHBondContact OD1-N 3.35Å; D740-A743 WeakPolarHBondContact OD2-CB 3.33Å; A743-R745 HydrophobicContact CB-CG 4.02Å; A743-R745 PolarHBondContact O-N 2.73Å; A743-R745 VanDerWaalsContact O-N 3.09Å
744	R	84.8	Confident	86.4	Confident	160 Å²	160	68.5 Å²	68.5	60%	0.604	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	38.7	49.2	-176.1	-71.8	-173.4	173.8	177	-3	113.6	F718 S719 D740	F718-R744 WeakPolarHBondContact CA-O 3.21Å; S719-R744 PolarHBondContact N-O 2.9Å; S719-R744 PolarHBondContact OG-O 3.25Å; S719-R744 VanDerWaalsContact OG-O 3.12Å; D740-R744 WeakPolarHBondContact O-CA 3.44Å; D740-R744 PolarHBondContact O-N 3.39Å
745	R	88.6	Confident	86.5	Confident	98 Å²	98	68.4 Å²	68.4	37%	0.37	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	153.9	-176.2	77	-170.7	-55.8	-177.5	5.7	114.4	S719 G721 D740 A743 R747	S719-R745 CarbonylContact O-C 3.48Å; S719-R745 VanDerWaalsContact O-CA 3.3Å; S719-R745 WeakPolarHBondContact O-CA 3.38Å; S719-R745 WeakPolarHBondContact O-CB 2.98Å; S719-R745 WeakPolarHBondContact OG-CB 3.32Å; G721-R745 PolarHBondContact O-NH2 2.03Å; D740-R745 WeakPolarHBondContact CB-O 3.26Å; D740-R745 PolarHBondContact N-O 2.03Å; D740-R745 PolarHBondContact O-N 3.29Å; A743-R745 HydrophobicContact CB-CG 4.02Å; A743-R745 PolarHBondContact O-N 2.73Å; A743-R745 VanDerWaalsContact O-N 3.09Å; R745-R747 HydrophobicContact CG-CG 4.46Å; R745-R747 PolarHBondContact O-N 2.7Å
746	C	90.3	Very high	86.6	Confident	9 Å²	9	63.3 Å²	63.3	6%	0.061	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	109.6	175.2	-59.5	0	0	0	0	110.5	S719 L720 C733 Y737 F738	S719-C746 PolarHBondContact O-N 3.3Å; L720-C746 HydrophobicContact CD1-CB 3.76Å; C733-C746 WeakPolarHBondContact CA-SG 3.33Å; C733-C746 HydrophobicContact CB-CB 3.79Å; C733-C746 WeakPolarHBondContact CB-SG 3Å; C733-C746 WeakPolarHBondContact SG-CA 3.26Å; C733-C746 WeakPolarHBondContact SG-CB 3.48Å; C733-C746 CovalentContact SG-SG 2.04Å; C733-C746 PolarHBondContact SG-SG 2.83Å; Y737-C746 HydrophobicContact CD1-CB 4.13Å; Y737-C746 HydrophobicContact CG-CB 4.38Å; F738-C746 CarbonylContact O-C 3.56Å; F738-C746 WeakPolarHBondContact O-CA 3.04Å
747	R	87.8	Confident	86.8	Confident	88 Å²	88	66 Å²	66	33%	0.332	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	134.8	171.9	-69.9	-164.1	-167.3	-139.9	8.4	109.8	Y737 F738 D740 R745	Y737-R747 CarbonylContact C-O 3.53Å; Y737-R747 WeakPolarHBondContact CA-O 3.48Å; Y737-R747 WeakPolarHBondContact CB-O 3.14Å; F738-R747 HydrophobicContact CD1-CB 4.08Å; F738-R747 WeakPolarHBondContact CD1-O 3.08Å; F738-R747 HydrophobicContact CE1-CB 3.5Å; F738-R747 HydrophobicContact CE2-CB 4.29Å; F738-R747 HydrophobicContact CZ-CB 3.63Å; F738-R747 HydrophobicContact CZ-CG 4.37Å; F738-R747 PolarHBondContact N-O 3.49Å; F738-R747 PolarHBondContact O-N 2.67Å; D740-R747 HydrophobicContact CB-CG 3.98Å; D740-R747 IonicContact OD2-CZ 3.73Å; D740-R747 IonicContact OD2-NE 3.57Å; D740-R747 PolarHBondContact OD2-NE 2.77Å; D740-R747 IonicContact OD2-NH2 3.91Å; D740-R747 PolarHBondContact OD2-NH2 2.8Å; R745-R747 HydrophobicContact CG-CG 4.46Å; R745-R747 PolarHBondContact O-N 2.7Å
748	R	89	Confident	86.5	Confident	156 Å²	156	63.7 Å²	63.7	59%	0.589	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.7	137.2	177.7	-165.8	-178.2	177.7	162	2.2	111	Y737	Y737-R748 HydrophobicContact CD1-CB 3.98Å; Y737-R748 HydrophobicContact CE1-CB 3.82Å; Y737-R748 HydrophobicContact CE1-CG 4.24Å
749	C	90.9	Very high	86.3	Confident	7 Å²	7	69 Å²	69	5%	0.047	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-66.8	167	169.7	-64.9	0	0	0	0	112.1	G736 C753 C756	G736-C749 PolarHBondContact O-N 3.03Å; C749-C753 HydrophobicContact CB-CB 4.01Å; C749-C756 WeakPolarHBondContact CA-SG 3.02Å; C749-C756 HydrophobicContact CB-CB 3.77Å; C749-C756 WeakPolarHBondContact CB-SG 3.37Å; C749-C756 WeakPolarHBondContact SG-CB 3.12Å; C749-C756 CovalentContact SG-SG 2.03Å; C749-C756 PolarHBondContact SG-SG 3.15Å
750	H	87.4	Confident	86.1	Confident	84 Å²	84	69.6 Å²	69.6	39%	0.389	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-56.3	156.5	171.9	-169.1	-95	0	0	0	112.6	G752 C753	H750-G752 PolarHBondContact O-N 2.03Å; H750-C753 HydrophobicContact CB-CB 4.5Å; H750-C753 VanDerWaalsContact O-CB 3.26Å; H750-C753 WeakPolarHBondContact O-CB 3.19Å; H750-C753 PolarHBondContact O-N 3.27Å
751	K	84.4	Confident	85.8	Confident	170 Å²	170	70.3 Å²	70.3	74%	0.739	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	135.6	176	-171.5	179	178.1	-176.1	0	110.1	C753	K751-C753 VanDerWaalsContact C-N 3.26Å; K751-C753 PolarHBondContact O-N 3.25Å
752	G	83.4	Confident	86	Confident	4 Å²	4	68.6 Å²	68.6	4%	0.041	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	-17.5	-175.2	0	0	0	0	0	115.5	H750 R768 F771	H750-G752 PolarHBondContact O-N 2.03Å; G752-R768 PolarHBondContact O-N 2.91Å; G752-F771 VanDerWaalsContact CA-CE1 3.41Å; G752-F771 VanDerWaalsContact CA-CZ 3.49Å
753	C	89.4	Confident	86.3	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.014	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.5	-173.5	-168.5	0	0	0	0	113.2	C749 H750 K751 T755 C764 R768	C749-C753 HydrophobicContact CB-CB 4.01Å; H750-C753 HydrophobicContact CB-CB 4.5Å; H750-C753 VanDerWaalsContact O-CB 3.26Å; H750-C753 WeakPolarHBondContact O-CB 3.19Å; H750-C753 PolarHBondContact O-N 3.27Å; K751-C753 VanDerWaalsContact C-N 3.26Å; K751-C753 PolarHBondContact O-N 3.25Å; C753-T755 PolarHBondContact SG-O 3.49Å; C753-C764 WeakPolarHBondContact CA-SG 3.44Å; C753-C764 HydrophobicContact CB-CB 3.95Å; C753-C764 WeakPolarHBondContact CB-SG 3.38Å; C753-C764 WeakPolarHBondContact SG-CA 3.42Å; C753-C764 WeakPolarHBondContact SG-CB 3.25Å; C753-C764 CovalentContact SG-SG 2.03Å; C753-C764 PolarHBondContact SG-SG 3.15Å; C753-R768 VanDerWaalsContact O-CZ 3.29Å; C753-R768 PolarHBondContact O-NE 2.87Å; C753-R768 PolarHBondContact O-NH2 2.92Å
754	E	88	Confident	86.6	Confident	58 Å²	58	65.8 Å²	65.8	27%	0.271	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-43.9	-177.6	-170.9	162.4	-83	0	0	112.5	L735 G736 S766 R768	L735-E754 HydrophobicContact CB-CG 4.26Å; L735-E754 HydrophobicContact CD1-CG 4.45Å; L735-E754 HydrophobicContact CD2-CG 4.36Å; G736-E754 WeakPolarHBondContact CA-O 3.42Å; G736-E754 PolarHBondContact N-O 3.05Å; E754-S766 WeakPolarHBondContact CB-O 3.34Å; E754-S766 PolarHBondContact N-O 2.95Å; E754-R768 HydrophobicContact CB-CB 4.41Å; E754-R768 HydrophobicContact CB-CG 3.65Å; E754-R768 HydrophobicContact CG-CG 4.26Å
755	T	87.8	Confident	86.7	Confident	51 Å²	51	63.3 Å²	63.3	31%	0.313	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.6	166.8	64.3	0	0	0	0	109.7	L735 C753 L765 S766	L735-T755 HydrophobicContact CD2-CG2 3.88Å; C753-T755 PolarHBondContact SG-O 3.49Å; T755-L765 PolarHBondContact O-N 2.64Å; T755-S766 PolarHBondContact N-O 2.78Å; T755-S766 PolarHBondContact N-OG 3.19Å; T755-S766 PolarHBondContact O-N 3.13Å; T755-S766 WeakPolarHBondContact OG1-CB 3.01Å; T755-S766 PolarHBondContact OG1-N 2.04Å; T755-S766 PolarHBondContact OG1-OG 3.28Å
756	C	89.1	Confident	86.5	Confident	14 Å²	14	60.3 Å²	60.3	10%	0.095	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	155.2	-175.5	64.4	0	0	0	0	111.1	F738 C749 S758 Q763	F738-C756 WeakPolarHBondContact CB-O 3.3Å; F738-C756 WeakPolarHBondContact CD1-SG 3.36Å; C749-C756 WeakPolarHBondContact CA-SG 3.02Å; C749-C756 HydrophobicContact CB-CB 3.77Å; C749-C756 WeakPolarHBondContact CB-SG 3.37Å; C749-C756 WeakPolarHBondContact SG-CB 3.12Å; C749-C756 CovalentContact SG-SG 2.03Å; C749-C756 PolarHBondContact SG-SG 3.15Å; C756-S758 WeakPolarHBondContact CB-O 3.47Å; C756-S758 PolarHBondContact SG-O 2.84Å; C756-Q763 WeakPolarHBondContact CA-O 3.04Å; C756-Q763 VanDerWaalsContact CB-O 3.31Å; C756-Q763 WeakPolarHBondContact CB-O 3.1Å
757	S	87.5	Confident	86.4	Confident	57 Å²	57	61 Å²	61	40%	0.399	31%	0.311	S	S	.	.	S	Bend	trans	-86.6	-21.3	168.5	51.5	0	0	0	0	112.5	Q763	S757-Q763 PolarHBondContact N-O 3.45Å; S757-Q763 VanDerWaalsContact N-O 3.11Å; S757-Q763 WeakPolarHBondContact OG-CB 3.39Å; S757-Q763 PolarHBondContact OG-O 3.34Å; S757-Q763 PolarHBondContact OG-OE1 3.38Å
758	S	84.4	Confident	86.3	Confident	36 Å²	36	60.3 Å²	60.3	25%	0.252	31%	0.308	S	S	.	.	S	Bend	trans	-157.9	-174.4	179.2	77.5	0	0	0	0	113.4	F738 C756 A760 Q763	F738-S758 VanDerWaalsContact CE1-C 3.46Å; C756-S758 WeakPolarHBondContact CB-O 3.47Å; C756-S758 PolarHBondContact SG-O 2.84Å; S758-A760 VanDerWaalsContact C-N 3.3Å; S758-A760 PolarHBondContact O-N 2.98Å; S758-A760 PolarHBondContact OG-N 3.48Å; S758-Q763 WeakPolarHBondContact OG-CB 3.45Å
759	R	83.9	Confident	85.8	Confident	147 Å²	147	64.1 Å²	64.1	56%	0.555	32%	0.323	S	S	*	.	S	Bend	trans	-72	-15.6	172.6	-77.6	-172.4	169.2	171	-2.8	114.5	F738	F738-R759 HydrophobicContact CE1-CG 3.78Å; F738-R759 HydrophobicContact CZ-CG 4.04Å
760	A	84.1	Confident	85.2	Confident	44 Å²	44	65.5 Å²	65.5	36%	0.364	34%	0.338	S	S	.	.	S	Bend	trans	-71.5	144.9	-174.3	0	0	0	0	0	112.2	S758 T762 Q763	S758-A760 VanDerWaalsContact C-N 3.3Å; S758-A760 PolarHBondContact O-N 2.98Å; S758-A760 PolarHBondContact OG-N 3.48Å; A760-T762 VanDerWaalsContact C-N 3.31Å; A760-T762 PolarHBondContact O-N 2.03Å; A760-Q763 HydrophobicContact CB-CB 4.11Å; A760-Q763 HydrophobicContact CB-CG 3.97Å; A760-Q763 PolarHBondContact O-N 2.85Å; A760-Q763 VanDerWaalsContact O-N 3.15Å
761	A	80	Confident	85.2	Confident	36 Å²	36	63.7 Å²	63.7	30%	0.298	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-36.4	-176.2	0	0	0	0	0	113.6	Q763 T779	A761-Q763 VanDerWaalsContact C-N 3.26Å; A761-Q763 PolarHBondContact O-N 2.85Å; A761-T779 HydrophobicContact CB-CG2 4.37Å; A761-T779 WeakPolarHBondContact O-CG2 3.47Å
762	T	84.4	Confident	85.4	Confident	75 Å²	75	57.3 Å²	57.3	46%	0.46	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	2.9	179.5	55	0	0	0	0	113.7	A760 M777 N778 T779	A760-T762 VanDerWaalsContact C-N 3.31Å; A760-T762 PolarHBondContact O-N 2.03Å; T762-M777 WeakPolarHBondContact CG2-O 3.12Å; T762-N778 CarbonylContact C-O 3.54Å; T762-N778 WeakPolarHBondContact CA-O 3.48Å; T762-N778 WeakPolarHBondContact O-CB 3.38Å; T762-N778 PolarHBondContact O-ND2 3.29Å; T762-T779 HydrophobicContact CG2-CG2 4.03Å
763	Q	87.1	Confident	85.6	Confident	83 Å²	83	58.5 Å²	58.5	39%	0.388	31%	0.305	S	S	.	.			trans	-110.6	35.4	-178.1	-72.1	-63.4	-48.5	0	0	110.9	C756 S757 S758 A760 A761	C756-Q763 WeakPolarHBondContact CA-O 3.04Å; C756-Q763 VanDerWaalsContact CB-O 3.31Å; C756-Q763 WeakPolarHBondContact CB-O 3.1Å; S757-Q763 PolarHBondContact N-O 3.45Å; S757-Q763 VanDerWaalsContact N-O 3.11Å; S757-Q763 WeakPolarHBondContact OG-CB 3.39Å; S757-Q763 PolarHBondContact OG-O 3.34Å; S757-Q763 PolarHBondContact OG-OE1 3.38Å; S758-Q763 WeakPolarHBondContact OG-CB 3.45Å; A760-Q763 HydrophobicContact CB-CB 4.11Å; A760-Q763 HydrophobicContact CB-CG 3.97Å; A760-Q763 PolarHBondContact O-N 2.85Å; A760-Q763 VanDerWaalsContact O-N 3.15Å; A761-Q763 VanDerWaalsContact C-N 3.26Å; A761-Q763 PolarHBondContact O-N 2.85Å
764	C	87.1	Confident	85.5	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.014	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	132.8	176.5	-166.6	0	0	0	0	111.3	C753 S766 N778 C780	C753-C764 WeakPolarHBondContact CA-SG 3.44Å; C753-C764 HydrophobicContact CB-CB 3.95Å; C753-C764 WeakPolarHBondContact CB-SG 3.38Å; C753-C764 WeakPolarHBondContact SG-CA 3.42Å; C753-C764 WeakPolarHBondContact SG-CB 3.25Å; C753-C764 CovalentContact SG-SG 2.03Å; C753-C764 PolarHBondContact SG-SG 3.15Å; C764-S766 PolarHBondContact SG-O 2.89Å; C764-N778 PolarHBondContact O-ND2 3.06Å; C764-N778 PolarHBondContact O-OD1 2.73Å; C764-C780 PolarHBondContact SG-SG 2.9Å
765	L	85.6	Confident	85.2	Confident	109 Å²	109	61.2 Å²	61.2	57%	0.571	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	-27.8	-177.1	-55.6	174.7	0	0	0	111.9	T755	T755-L765 PolarHBondContact O-N 2.64Å
766	S	85.9	Confident	84.9	Confident	35 Å²	35	64.9 Å²	64.9	25%	0.245	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	147	168.5	70.6	0	0	0	0	112.1	E754 T755 C764	E754-S766 WeakPolarHBondContact CB-O 3.34Å; E754-S766 PolarHBondContact N-O 2.95Å; T755-S766 PolarHBondContact N-O 2.78Å; T755-S766 PolarHBondContact N-OG 3.19Å; T755-S766 PolarHBondContact O-N 3.13Å; T755-S766 WeakPolarHBondContact OG1-CB 3.01Å; T755-S766 PolarHBondContact OG1-N 2.04Å; T755-S766 PolarHBondContact OG1-OG 3.28Å; C764-S766 PolarHBondContact SG-O 2.89Å
767	C	88.1	Confident	84.5	Confident	23 Å²	23	68.5 Å²	68.5	16%	0.155	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	146.3	-179.9	-62.1	0	0	0	0	112.7	F771 H773 C780	C767-F771 HydrophobicContact CB-CB 4.03Å; C767-H773 VanDerWaalsContact SG-CA 3.56Å; C767-C780 WeakPolarHBondContact CA-SG 3.45Å; C767-C780 HydrophobicContact CB-CB 3.86Å; C767-C780 WeakPolarHBondContact CB-SG 3.34Å; C767-C780 WeakPolarHBondContact SG-CA 3.41Å; C767-C780 WeakPolarHBondContact SG-CB 3.39Å; C767-C780 CovalentContact SG-SG 2.03Å; C767-C780 PolarHBondContact SG-SG 2.95Å
768	R	84.9	Confident	84.4	Confident	74 Å²	74	68.1 Å²	68.1	28%	0.279	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-67.8	150.2	172.3	-64.2	-179.2	-159.2	-132.9	-1.7	109.7	G736 G752 C753 E754 G770 F771	G736-R768 PolarHBondContact O-NH2 2.89Å; G752-R768 PolarHBondContact O-N 2.91Å; C753-R768 VanDerWaalsContact O-CZ 3.29Å; C753-R768 PolarHBondContact O-NE 2.87Å; C753-R768 PolarHBondContact O-NH2 2.92Å; E754-R768 HydrophobicContact CB-CB 4.41Å; E754-R768 HydrophobicContact CB-CG 3.65Å; E754-R768 HydrophobicContact CG-CG 4.26Å; R768-G770 PolarHBondContact O-N 2.92Å; R768-F771 HydrophobicContact CB-CD2 4.38Å; R768-F771 PolarHBondContact O-N 3.36Å
769	R	79.1	Confident	84.5	Confident	236 Å²	236	67.5 Å²	67.5	89%	0.891	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.4	127	170.1	-62.7	-178.6	179.1	-172.7	-2.3	110.7
770	G	77.6	Confident	84.8	Confident	36 Å²	36	61.4 Å²	61.4	37%	0.371	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.8	4.7	-173.4	0	0	0	0	0	115.2	R768	R768-G770 PolarHBondContact O-N 2.92Å
771	F	86.9	Confident	85	Confident	45 Å²	45	61 Å²	61	20%	0.197	31%	0.308	C	S	.	.			trans	-127	148.9	169.6	-66.7	-107.5	0	0	0	109.9	G752 C767 R768 C780 V781 T782	G752-F771 VanDerWaalsContact CA-CE1 3.41Å; G752-F771 VanDerWaalsContact CA-CZ 3.49Å; C767-F771 HydrophobicContact CB-CB 4.03Å; R768-F771 HydrophobicContact CB-CD2 4.38Å; R768-F771 PolarHBondContact O-N 3.36Å; F771-C780 HydrophobicContact CB-CB 4.02Å; F771-C780 HydrophobicContact CD1-CB 4.17Å; F771-C780 HydrophobicContact CG-CB 4.4Å; F771-V781 CarbonylContact C-O 3.52Å; F771-V781 WeakPolarHBondContact CA-O 3.47Å; F771-T782 HydrophobicContact CD1-CG2 3.69Å; F771-T782 HydrophobicContact CE1-CG2 3.36Å; F771-T782 HydrophobicContact CE2-CG2 4.42Å; F771-T782 HydrophobicContact CG-CG2 4.35Å; F771-T782 HydrophobicContact CZ-CG2 3.76Å
772	Y	89	Confident	85.3	Confident	36 Å²	36	63.2 Å²	63.2	14%	0.141	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	140.9	176	-51.7	-88.6	0	0	0	109.7	C780 V781 A790 E792 K795	Y772-C780 WeakPolarHBondContact O-CA 3.02Å; Y772-V781 PolarHBondContact N-O 3.39Å; Y772-V781 PolarHBondContact O-N 3.48Å; Y772-A790 HydrophobicContact CD1-CB 3.77Å; Y772-A790 HydrophobicContact CD2-CB 4.34Å; Y772-A790 HydrophobicContact CE1-CB 3.59Å; Y772-A790 HydrophobicContact CE2-CB 4.18Å; Y772-A790 HydrophobicContact CG-CB 4.17Å; Y772-E792 VanDerWaalsContact CE1-OE1 3.29Å; Y772-E792 WeakPolarHBondContact CE1-OE1 3.45Å; Y772-E792 VanDerWaalsContact CZ-OE1 3.32Å; Y772-E792 PolarHBondContact OH-OE1 3.1Å; Y772-K795 CarbonylContact C-O 3.58Å; Y772-K795 VanDerWaalsContact CA-O 3.25Å; Y772-K795 WeakPolarHBondContact CA-O 3.21Å; Y772-K795 HydrophobicContact CD1-CD 4.26Å; Y772-K795 HydrophobicContact CE1-CD 3.98Å
773	H	87.8	Confident	85.5	Confident	29 Å²	29	66.4 Å²	66.4	13%	0.134	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	125.2	174.6	-169.4	-91.6	0	0	0	110.3	C767 N778 K795 N796 C797	C767-H773 VanDerWaalsContact SG-CA 3.56Å; H773-N778 PolarHBondContact CE1-OD1 3.18Å; H773-N778 VanDerWaalsContact CE1-OD1 3.23Å; H773-N778 PolarHBondContact NE2-OD1 3.31Å; H773-K795 PolarHBondContact N-O 3.11Å; H773-N796 WeakPolarHBondContact O-CA 3.42Å; H773-C797 PolarHBondContact O-N 3.23Å
774	H	88.3	Confident	85.4	Confident	6 Å²	6	63.8 Å²	63.8	3%	0.028	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	89.7	174	-166.8	-68.8	0	0	0	109.4	E776 M777 N778 T779 P785 F788	H774-E776 VanDerWaalsContact C-N 3.27Å; H774-E776 PolarHBondContact O-N 2.74Å; H774-E776 VanDerWaalsContact O-N 3.09Å; H774-M777 HydrophobicContact CB-CE 4.13Å; H774-M777 VanDerWaalsContact CG-CE 3.44Å; H774-M777 WeakPolarHBondContact ND1-CE 3.42Å; H774-M777 CarbonylContact O-C 3.51Å; H774-M777 PolarHBondContact O-N 3.37Å; H774-N778 PolarHBondContact O-N 2.89Å; H774-T779 PolarHBondContact N-O 3.03Å; H774-P785 WeakPolarHBondContact NE2-CG 3.09Å; H774-F788 AromaticContact CE1-CZ 3.87Å; H774-F788 AromaticContact NE2-CE1 3.82Å; H774-F788 AromaticContact NE2-CE2 3.81Å; H774-F788 AromaticContact NE2-CZ 3.68Å
775	Q	80.3	Confident	85.4	Confident	112 Å²	112	66.1 Å²	66.1	52%	0.523	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-41.8	-168.8	-65.2	178.9	-3	0	0	113.9	M777 N778 N796	Q775-M777 VanDerWaalsContact C-N 3.29Å; Q775-M777 PolarHBondContact O-N 3.42Å; Q775-N778 PolarHBondContact O-N 2.84Å; Q775-N796 PolarHBondContact NE2-ND2 2.76Å; Q775-N796 PolarHBondContact NE2-OD1 2.93Å
776	E	80.9	Confident	85.1	Confident	128 Å²	128	64.9 Å²	64.9	60%	0.598	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-18.4	-179.2	-53.2	-170.6	142.9	0	0	114.8	H774 F788 K799	H774-E776 VanDerWaalsContact C-N 3.27Å; H774-E776 PolarHBondContact O-N 2.74Å; H774-E776 VanDerWaalsContact O-N 3.09Å; E776-F788 WeakPolarHBondContact OE2-CZ 3.44Å; E776-K799 WeakPolarHBondContact OE1-CE 3.3Å; E776-K799 IonicContact OE1-NZ 2.62Å; E776-K799 PolarHBondContact OE1-NZ 2.9Å; E776-K799 IonicContact OE2-NZ 3.7Å
777	M	81.1	Confident	84.9	Confident	90 Å²	90	64.5 Å²	64.5	44%	0.443	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-12.5	177.2	-70.2	-168.2	-76.7	0	0	112.3	T762 H774 Q775 T779	T762-M777 WeakPolarHBondContact CG2-O 3.12Å; H774-M777 HydrophobicContact CB-CE 4.13Å; H774-M777 VanDerWaalsContact CG-CE 3.44Å; H774-M777 WeakPolarHBondContact ND1-CE 3.42Å; H774-M777 CarbonylContact O-C 3.51Å; H774-M777 PolarHBondContact O-N 3.37Å; Q775-M777 VanDerWaalsContact C-N 3.29Å; Q775-M777 PolarHBondContact O-N 3.42Å; M777-T779 HydrophobicContact CB-CG2 4.18Å; M777-T779 WeakPolarHBondContact CB-OG1 3.03Å; M777-T779 PolarHBondContact O-N 2.78Å
778	N	85.1	Confident	85	Confident	49 Å²	49	65.3 Å²	65.3	26%	0.262	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	39.5	-172.2	-160.8	52	0	0	0	113.5	T762 C764 H773 H774 Q775	T762-N778 CarbonylContact C-O 3.54Å; T762-N778 WeakPolarHBondContact CA-O 3.48Å; T762-N778 WeakPolarHBondContact O-CB 3.38Å; T762-N778 PolarHBondContact O-ND2 3.29Å; C764-N778 PolarHBondContact O-ND2 3.06Å; C764-N778 PolarHBondContact O-OD1 2.73Å; H773-N778 PolarHBondContact CE1-OD1 3.18Å; H773-N778 VanDerWaalsContact CE1-OD1 3.23Å; H773-N778 PolarHBondContact NE2-OD1 3.31Å; H774-N778 PolarHBondContact O-N 2.89Å; Q775-N778 PolarHBondContact O-N 2.84Å
779	T	87.9	Confident	85.2	Confident	22 Å²	22	63 Å²	63	14%	0.135	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	161.6	-179	51.7	0	0	0	0	111.3	A761 T762 H774 M777	A761-T779 HydrophobicContact CB-CG2 4.37Å; A761-T779 WeakPolarHBondContact O-CG2 3.47Å; T762-T779 HydrophobicContact CG2-CG2 4.03Å; H774-T779 PolarHBondContact N-O 3.03Å; M777-T779 HydrophobicContact CB-CG2 4.18Å; M777-T779 WeakPolarHBondContact CB-OG1 3.03Å; M777-T779 PolarHBondContact O-N 2.78Å
780	C	89.6	Confident	85.7	Confident	20 Å²	20	53.1 Å²	53.1	14%	0.135	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122	172.9	-62.4	0	0	0	0	110.8	C764 C767 F771 Y772	C764-C780 PolarHBondContact SG-SG 2.9Å; C767-C780 WeakPolarHBondContact CA-SG 3.45Å; C767-C780 HydrophobicContact CB-CB 3.86Å; C767-C780 WeakPolarHBondContact CB-SG 3.34Å; C767-C780 WeakPolarHBondContact SG-CA 3.41Å; C767-C780 WeakPolarHBondContact SG-CB 3.39Å; C767-C780 CovalentContact SG-SG 2.03Å; C767-C780 PolarHBondContact SG-SG 2.95Å; F771-C780 HydrophobicContact CB-CB 4.02Å; F771-C780 HydrophobicContact CD1-CB 4.17Å; F771-C780 HydrophobicContact CG-CB 4.4Å; Y772-C780 WeakPolarHBondContact O-CA 3.02Å
781	V	87.5	Confident	85.9	Confident	34 Å²	34	52.3 Å²	52.3	21%	0.206	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	147.1	-178.4	-62.8	0	0	0	0	111	F771 Y772 L783	F771-V781 CarbonylContact C-O 3.52Å; F771-V781 WeakPolarHBondContact CA-O 3.47Å; Y772-V781 PolarHBondContact N-O 3.39Å; Y772-V781 PolarHBondContact O-N 3.48Å; V781-L783 WeakPolarHBondContact CB-O 3.42Å; V781-L783 WeakPolarHBondContact CG2-O 3.19Å
782	T	87.1	Confident	85.5	Confident	84 Å²	84	55.1 Å²	55.1	52%	0.515	31%	0.307	S	S	.	.	S	Bend	trans	-81.8	-18.1	175.6	51.3	0	0	0	0	113	F771	F771-T782 HydrophobicContact CD1-CG2 3.69Å; F771-T782 HydrophobicContact CE1-CG2 3.36Å; F771-T782 HydrophobicContact CE2-CG2 4.42Å; F771-T782 HydrophobicContact CG-CG2 4.35Å; F771-T782 HydrophobicContact CZ-CG2 3.76Å
783	L	87.8	Confident	84.9	Confident	142 Å²	142	58.1 Å²	58.1	74%	0.743	33%	0.334	S	S	*	.	S	Bend	trans	-143.8	135.5	179	-71.8	166.3	0	0	0	107.1	V781	V781-L783 WeakPolarHBondContact CB-O 3.42Å; V781-L783 WeakPolarHBondContact CG2-O 3.19Å
784	C	86.9	Confident	84.3	Confident	28 Å²	28	62.7 Å²	62.7	19%	0.189	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-72.8	145.2	176.5	-64.6	0	0	0	0	111.4	F788 C797	C784-F788 HydrophobicContact CB-CB 4.1Å; C784-C797 VanDerWaalsContact CA-SG 3.52Å; C784-C797 HydrophobicContact CB-CB 3.81Å; C784-C797 WeakPolarHBondContact CB-SG 3.44Å; C784-C797 WeakPolarHBondContact SG-CA 3.33Å; C784-C797 WeakPolarHBondContact SG-CB 3.41Å; C784-C797 CovalentContact SG-SG 2.04Å; C784-C797 PolarHBondContact SG-SG 3Å
785	P	85.1	Confident	84.1	Confident	50 Å²	50	66.2 Å²	66.2	33%	0.325	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-71.5	163.8	-179.5	29.8	-34.1	0	0	0	112.1	H774 G787 F788	H774-P785 WeakPolarHBondContact NE2-CG 3.09Å; P785-G787 PolarHBondContact O-N 2.97Å; P785-F788 HydrophobicContact CG-CD2 3.91Å; P785-F788 HydrophobicContact CG-CE2 4.43Å; P785-F788 HydrophobicContact CG-CG 4.42Å; P785-F788 WeakPolarHBondContact O-CB 3.2Å; P785-F788 PolarHBondContact O-N 2.94Å
786	A	80.3	Confident	84.4	Confident	83 Å²	83	61.9 Å²	61.9	69%	0.686	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	139.9	178.9	0	0	0	0	0	112	F788	A786-F788 VanDerWaalsContact C-N 3.32Å
787	G	82.7	Confident	84.8	Confident	28 Å²	28	56.1 Å²	56.1	29%	0.289	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	-5	-168	0	0	0	0	0	114.7	P785 C800	P785-G787 PolarHBondContact O-N 2.97Å; G787-C800 PolarHBondContact O-N 2.9Å
788	F	89.8	Confident	85.2	Confident	39 Å²	39	54 Å²	54	17%	0.171	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	152.5	173.7	-61.6	-108.9	0	0	0	111.4	H774 E776 C784 P785 A786 C797 L798 K799	H774-F788 AromaticContact CE1-CZ 3.87Å; H774-F788 AromaticContact NE2-CE1 3.82Å; H774-F788 AromaticContact NE2-CE2 3.81Å; H774-F788 AromaticContact NE2-CZ 3.68Å; E776-F788 WeakPolarHBondContact OE2-CZ 3.44Å; C784-F788 HydrophobicContact CB-CB 4.1Å; P785-F788 HydrophobicContact CG-CD2 3.91Å; P785-F788 HydrophobicContact CG-CE2 4.43Å; P785-F788 HydrophobicContact CG-CG 4.42Å; P785-F788 WeakPolarHBondContact O-CB 3.2Å; P785-F788 PolarHBondContact O-N 2.94Å; A786-F788 VanDerWaalsContact C-N 3.32Å; F788-C797 HydrophobicContact CB-CB 4.27Å; F788-C797 HydrophobicContact CD1-CB 4.23Å; F788-L798 CarbonylContact C-O 3.52Å; F788-L798 WeakPolarHBondContact CA-O 3.02Å; F788-L798 VanDerWaalsContact CB-O 3.31Å; F788-L798 WeakPolarHBondContact CB-O 3.45Å; F788-K799 HydrophobicContact CD1-CG 3.71Å; F788-K799 HydrophobicContact CE1-CD 4.17Å; F788-K799 HydrophobicContact CE1-CG 3.38Å; F788-K799 HydrophobicContact CE2-CG 4.49Å; F788-K799 HydrophobicContact CG-CG 4.41Å; F788-K799 HydrophobicContact CZ-CD 4.28Å; F788-K799 VanDerWaalsContact CZ-CE 3.45Å; F788-K799 HydrophobicContact CZ-CG 3.82Å
789	Y	89.4	Confident	85.4	Confident	26 Å²	26	57.3 Å²	57.3	10%	0.102	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	161.4	167.3	68.1	-80.9	0	0	0	110.5	D791 C797 L798 K799 C807 D809 P811	Y789-D791 HydrophobicContact CE2-CB 4.45Å; Y789-C797 CarbonylContact O-C 3.58Å; Y789-C797 WeakPolarHBondContact O-CA 3.18Å; Y789-L798 HydrophobicContact CD1-CB 4.19Å; Y789-L798 VanDerWaalsContact CD1-O 3.25Å; Y789-L798 WeakPolarHBondContact CD1-O 3.47Å; Y789-L798 HydrophobicContact CE1-CB 3.64Å; Y789-L798 HydrophobicContact CE2-CB 4.16Å; Y789-L798 HydrophobicContact CE2-CD1 4.35Å; Y789-L798 PolarHBondContact N-O 2.73Å; Y789-L798 PolarHBondContact O-N 2.88Å; Y789-K799 WeakPolarHBondContact CE1-O 3.41Å; Y789-C807 WeakPolarHBondContact CD1-SG 3.15Å; Y789-D809 VanDerWaalsContact CE2-C 3.49Å; Y789-D809 WeakPolarHBondContact CE2-O 3.41Å; Y789-P811 HydrophobicContact CE1-CB 4.33Å; Y789-P811 HydrophobicContact CE1-CG 3.98Å
790	A	87.8	Confident	85.5	Confident	29 Å²	29	57.2 Å²	57.2	24%	0.24	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	119.4	173	0	0	0	0	0	109.9	Y772	Y772-A790 HydrophobicContact CD1-CB 3.77Å; Y772-A790 HydrophobicContact CD2-CB 4.34Å; Y772-A790 HydrophobicContact CE1-CB 3.59Å; Y772-A790 HydrophobicContact CE2-CB 4.18Å; Y772-A790 HydrophobicContact CG-CB 4.17Å
791	D	83.2	Confident	85.3	Confident	19 Å²	19	59.7 Å²	59.7	10%	0.102	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	113.6	165.6	165.5	36.2	0	0	0	109.5	Y789 S793 Q794 K795 N796 L798	Y789-D791 HydrophobicContact CE2-CB 4.45Å; D791-S793 VanDerWaalsContact CG-OG 3.28Å; D791-S793 PolarHBondContact O-N 2.84Å; D791-S793 WeakPolarHBondContact OD1-CB 2.99Å; D791-S793 PolarHBondContact OD1-N 2.95Å; D791-S793 PolarHBondContact OD1-OG 2.85Å; D791-S793 PolarHBondContact OD2-OG 3.05Å; D791-S793 VanDerWaalsContact OD2-OG 3.13Å; D791-Q794 WeakPolarHBondContact OD2-CA 2.99Å; D791-Q794 WeakPolarHBondContact OD2-CB 3.41Å; D791-Q794 WeakPolarHBondContact OD2-CG 3.46Å; D791-Q794 PolarHBondContact OD2-N 2.79Å; D791-K795 WeakPolarHBondContact O-CA 3.01Å; D791-K795 PolarHBondContact O-N 3.26Å; D791-N796 PolarHBondContact N-O 3.2Å; D791-L798 HydrophobicContact CB-CD1 3.66Å; D791-L798 HydrophobicContact CB-CG 3.95Å
792	E	77.4	Confident	85.1	Confident	104 Å²	104	62.7 Å²	62.7	49%	0.486	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-23.6	177.7	-76.5	-62.2	124.4	0	0	113.6	Y772 K795	Y772-E792 VanDerWaalsContact CE1-OE1 3.29Å; Y772-E792 WeakPolarHBondContact CE1-OE1 3.45Å; Y772-E792 VanDerWaalsContact CZ-OE1 3.32Å; Y772-E792 PolarHBondContact OH-OE1 3.1Å; E792-K795 WeakPolarHBondContact O-CD 3.3Å; E792-K795 WeakPolarHBondContact O-CE 3.48Å; E792-K795 IonicContact OE1-NZ 3.26Å; E792-K795 IonicContact OE2-NZ 3.09Å; E792-K795 PolarHBondContact OE2-NZ 3.34Å
793	S	76.1	Confident	84.9	Confident	99 Å²	99	59.5 Å²	59.5	69%	0.692	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-44.9	-172.9	73.8	0	0	0	0	113.3	D791	D791-S793 VanDerWaalsContact CG-OG 3.28Å; D791-S793 PolarHBondContact O-N 2.84Å; D791-S793 WeakPolarHBondContact OD1-CB 2.99Å; D791-S793 PolarHBondContact OD1-N 2.95Å; D791-S793 PolarHBondContact OD1-OG 2.85Å; D791-S793 PolarHBondContact OD2-OG 3.05Å; D791-S793 VanDerWaalsContact OD2-OG 3.13Å
794	Q	75.5	Confident	84.9	Confident	124 Å²	124	52.9 Å²	52.9	58%	0.579	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-7.5	177	-49.6	168.5	22.2	0	0	113	D791 N796	D791-Q794 WeakPolarHBondContact OD2-CA 2.99Å; D791-Q794 WeakPolarHBondContact OD2-CB 3.41Å; D791-Q794 WeakPolarHBondContact OD2-CG 3.46Å; D791-Q794 PolarHBondContact OD2-N 2.79Å; Q794-N796 VanDerWaalsContact C-N 3.31Å; Q794-N796 VanDerWaalsContact CB-ND2 3.29Å; Q794-N796 WeakPolarHBondContact CB-ND2 3.31Å; Q794-N796 PolarHBondContact O-N 2.9Å; Q794-N796 PolarHBondContact OE1-ND2 3.17Å; Q794-N796 VanDerWaalsContact OE1-ND2 3.09Å
795	K	84.1	Confident	84.8	Confident	81 Å²	81	56.1 Å²	56.1	35%	0.352	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	40.7	-173.9	-57.4	-60.3	-175.8	174.6	0	113.2	Y772 H773 D791 E792	Y772-K795 CarbonylContact C-O 3.58Å; Y772-K795 VanDerWaalsContact CA-O 3.25Å; Y772-K795 WeakPolarHBondContact CA-O 3.21Å; Y772-K795 HydrophobicContact CD1-CD 4.26Å; Y772-K795 HydrophobicContact CE1-CD 3.98Å; H773-K795 PolarHBondContact N-O 3.11Å; D791-K795 WeakPolarHBondContact O-CA 3.01Å; D791-K795 PolarHBondContact O-N 3.26Å; E792-K795 WeakPolarHBondContact O-CD 3.3Å; E792-K795 WeakPolarHBondContact O-CE 3.48Å; E792-K795 IonicContact OE1-NZ 3.26Å; E792-K795 IonicContact OE2-NZ 3.09Å; E792-K795 PolarHBondContact OE2-NZ 3.34Å
796	N	86.3	Confident	84.9	Confident	21 Å²	21	59.3 Å²	59.3	11%	0.112	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	155.1	176.5	-71.9	-46	0	0	0	111.1	H773 Q775 D791 Q794 L798	H773-N796 WeakPolarHBondContact O-CA 3.42Å; Q775-N796 PolarHBondContact NE2-ND2 2.76Å; Q775-N796 PolarHBondContact NE2-OD1 2.93Å; D791-N796 PolarHBondContact N-O 3.2Å; Q794-N796 VanDerWaalsContact C-N 3.31Å; Q794-N796 VanDerWaalsContact CB-ND2 3.29Å; Q794-N796 WeakPolarHBondContact CB-ND2 3.31Å; Q794-N796 PolarHBondContact O-N 2.9Å; Q794-N796 PolarHBondContact OE1-ND2 3.17Å; Q794-N796 VanDerWaalsContact OE1-ND2 3.09Å; N796-L798 HydrophobicContact CB-CD2 3.93Å; N796-L798 HydrophobicContact CB-CG 4.39Å
797	C	90.1	Very high	85.2	Confident	6 Å²	6	55.8 Å²	55.8	4%	0.041	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	115.7	161.1	-66.2	0	0	0	0	109.7	H773 C784 F788 Y789	H773-C797 PolarHBondContact O-N 3.23Å; C784-C797 VanDerWaalsContact CA-SG 3.52Å; C784-C797 HydrophobicContact CB-CB 3.81Å; C784-C797 WeakPolarHBondContact CB-SG 3.44Å; C784-C797 WeakPolarHBondContact SG-CA 3.33Å; C784-C797 WeakPolarHBondContact SG-CB 3.41Å; C784-C797 CovalentContact SG-SG 2.04Å; C784-C797 PolarHBondContact SG-SG 3Å; F788-C797 HydrophobicContact CB-CB 4.27Å; F788-C797 HydrophobicContact CD1-CB 4.23Å; Y789-C797 CarbonylContact O-C 3.58Å; Y789-C797 WeakPolarHBondContact O-CA 3.18Å
798	L	89.3	Confident	85.4	Confident	47 Å²	47	57.5 Å²	57.5	25%	0.246	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	153	-178.9	-58.6	-173.6	0	0	0	110.9	F788 Y789 D791 N796	F788-L798 CarbonylContact C-O 3.52Å; F788-L798 WeakPolarHBondContact CA-O 3.02Å; F788-L798 VanDerWaalsContact CB-O 3.31Å; F788-L798 WeakPolarHBondContact CB-O 3.45Å; Y789-L798 HydrophobicContact CD1-CB 4.19Å; Y789-L798 VanDerWaalsContact CD1-O 3.25Å; Y789-L798 WeakPolarHBondContact CD1-O 3.47Å; Y789-L798 HydrophobicContact CE1-CB 3.64Å; Y789-L798 HydrophobicContact CE2-CB 4.16Å; Y789-L798 HydrophobicContact CE2-CD1 4.35Å; Y789-L798 PolarHBondContact N-O 2.73Å; Y789-L798 PolarHBondContact O-N 2.88Å; D791-L798 HydrophobicContact CB-CD1 3.66Å; D791-L798 HydrophobicContact CB-CG 3.95Å; N796-L798 HydrophobicContact CB-CD2 3.93Å; N796-L798 HydrophobicContact CB-CG 4.39Å
799	K	89.3	Confident	84.9	Confident	118 Å²	118	60.1 Å²	60.1	51%	0.513	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	143.6	-173.3	-71.8	-179.3	179.5	174.8	0	113.3	E776 F788 Y789	E776-K799 WeakPolarHBondContact OE1-CE 3.3Å; E776-K799 IonicContact OE1-NZ 2.62Å; E776-K799 PolarHBondContact OE1-NZ 2.9Å; E776-K799 IonicContact OE2-NZ 3.7Å; F788-K799 HydrophobicContact CD1-CG 3.71Å; F788-K799 HydrophobicContact CE1-CD 4.17Å; F788-K799 HydrophobicContact CE1-CG 3.38Å; F788-K799 HydrophobicContact CE2-CG 4.49Å; F788-K799 HydrophobicContact CG-CG 4.41Å; F788-K799 HydrophobicContact CZ-CD 4.28Å; F788-K799 VanDerWaalsContact CZ-CE 3.45Å; F788-K799 HydrophobicContact CZ-CG 3.82Å; Y789-K799 WeakPolarHBondContact CE1-O 3.41Å
800	C	90.4	Very high	84.5	Confident	19 Å²	19	63.7 Å²	63.7	13%	0.128	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-74.1	158.8	171.9	-64.3	0	0	0	0	113.2	G787 C804 C807	G787-C800 PolarHBondContact O-N 2.9Å; C800-C804 HydrophobicContact CB-CB 4.46Å; C800-C807 WeakPolarHBondContact CA-SG 3.1Å; C800-C807 HydrophobicContact CB-CB 3.81Å; C800-C807 WeakPolarHBondContact CB-SG 3.25Å; C800-C807 WeakPolarHBondContact SG-CB 3.49Å; C800-C807 PolarHBondContact SG-N 2.62Å; C800-C807 CovalentContact SG-SG 2.03Å; C800-C807 PolarHBondContact SG-SG 3.47Å
801	H	86.3	Confident	84.2	Confident	72 Å²	72	63.9 Å²	63.9	33%	0.333	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-59.5	144.3	172.9	-177.4	-96.7	0	0	0	111.7	S803 C804 P811 E812	H801-S803 VanDerWaalsContact C-N 3.3Å; H801-S803 PolarHBondContact CE1-OG 3.32Å; H801-S803 PolarHBondContact ND1-OG 3.26Å; H801-S803 PolarHBondContact O-N 3.09Å; H801-S803 VanDerWaalsContact O-N 3.1Å; H801-C804 WeakPolarHBondContact O-CB 3.36Å; H801-C804 PolarHBondContact O-N 3.39Å; H801-P811 HydrophobicContact CB-CB 4.34Å; H801-P811 WeakPolarHBondContact CB-O 3.15Å; H801-P811 PolarHBondContact N-O 3.46Å; H801-E812 HydrophobicContact CB-CG 4.26Å; H801-E812 IonicContact CD2-OE1 3.69Å
802	P	83.2	Confident	84	Confident	98 Å²	98	67.7 Å²	67.7	64%	0.636	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-26.7	-171	-30.6	38	0	0	0	117.3	C804 K818	P802-C804 PolarHBondContact O-N 3.09Å; P802-K818 WeakPolarHBondContact O-CD 3.06Å; P802-K818 VanDerWaalsContact O-CE 3.3Å; P802-K818 WeakPolarHBondContact O-CE 3.43Å; P802-K818 PolarHBondContact O-NZ 2.9Å
803	S	81.6	Confident	84.2	Confident	16 Å²	16	66.5 Å²	66.5	11%	0.112	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-8	174.6	53.9	0	0	0	0	114.1	H801 K818	H801-S803 VanDerWaalsContact C-N 3.3Å; H801-S803 PolarHBondContact CE1-OG 3.32Å; H801-S803 PolarHBondContact ND1-OG 3.26Å; H801-S803 PolarHBondContact O-N 3.09Å; H801-S803 VanDerWaalsContact O-N 3.1Å; S803-K818 PolarHBondContact O-N 3.47Å
804	C	87.4	Confident	84.6	Confident	3 Å²	3	62 Å²	62	2%	0.02	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	138.4	-167.8	-55.4	0	0	0	0	113.6	C800 H801 P802 C814 K818	C800-C804 HydrophobicContact CB-CB 4.46Å; H801-C804 WeakPolarHBondContact O-CB 3.36Å; H801-C804 PolarHBondContact O-N 3.39Å; P802-C804 PolarHBondContact O-N 3.09Å; C804-C814 HydrophobicContact CB-CB 3.68Å; C804-C814 WeakPolarHBondContact CB-SG 3.37Å; C804-C814 WeakPolarHBondContact SG-CB 3.29Å; C804-C814 CovalentContact SG-SG 2.01Å; C804-C814 PolarHBondContact SG-SG 3.49Å; C804-K818 WeakPolarHBondContact O-CE 3.5Å
805	K	86	Confident	85	Confident	97 Å²	97	59.4 Å²	59.4	42%	0.422	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-29.2	178.6	-164.1	166.9	-175	168.7	0	110.9	V816 C817 K818 E819	K805-V816 WeakPolarHBondContact CA-O 3.35Å; K805-V816 HydrophobicContact CB-CB 4.29Å; K805-V816 HydrophobicContact CB-CG1 4.08Å; K805-V816 WeakPolarHBondContact CB-O 3.39Å; K805-V816 HydrophobicContact CD-CG1 4.18Å; K805-V816 HydrophobicContact CG-CG1 4.4Å; K805-V816 PolarHBondContact N-O 2.8Å; K805-C817 VanDerWaalsContact CB-O 3.26Å; K805-C817 WeakPolarHBondContact CB-O 3.37Å; K805-C817 WeakPolarHBondContact CD-O 3.45Å; K805-K818 HydrophobicContact CB-CG 4.07Å; K805-E819 IonicContact NZ-OE1 2.67Å; K805-E819 PolarHBondContact NZ-OE1 2.86Å
806	K	85.9	Confident	85	Confident	117 Å²	117	58.5 Å²	58.5	51%	0.509	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	145	165.3	-63.2	-173.5	-177.4	177.6	0	110.6	C814 T815 V816	K806-C814 WeakPolarHBondContact O-CA 3.48Å; K806-T815 WeakPolarHBondContact CB-OG1 3.41Å; K806-T815 PolarHBondContact O-N 2.91Å; K806-V816 HydrophobicContact CB-CB 4.06Å; K806-V816 HydrophobicContact CB-CG2 4.12Å; K806-V816 HydrophobicContact CD-CG2 3.89Å; K806-V816 HydrophobicContact CG-CB 4.21Å; K806-V816 HydrophobicContact CG-CG2 4.13Å; K806-V816 PolarHBondContact N-O 3.3Å; K806-V816 PolarHBondContact O-N 3.19Å
807	C	87.1	Confident	84.9	Confident	8 Å²	8	58.3 Å²	58.3	5%	0.054	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	166.4	174.9	68.3	0	0	0	0	110.7	Y789 C800 K813	Y789-C807 WeakPolarHBondContact CD1-SG 3.15Å; C800-C807 WeakPolarHBondContact CA-SG 3.1Å; C800-C807 HydrophobicContact CB-CB 3.81Å; C800-C807 WeakPolarHBondContact CB-SG 3.25Å; C800-C807 WeakPolarHBondContact SG-CB 3.49Å; C800-C807 PolarHBondContact SG-N 2.62Å; C800-C807 CovalentContact SG-SG 2.03Å; C800-C807 PolarHBondContact SG-SG 3.47Å; C807-K813 CarbonylContact C-O 3.6Å; C807-K813 WeakPolarHBondContact CA-O 3.3Å; C807-K813 VanDerWaalsContact CB-O 3.3Å; C807-K813 WeakPolarHBondContact CB-O 3.35Å
808	V	86.3	Confident	84.5	Confident	65 Å²	65	62.6 Å²	62.6	39%	0.394	32%	0.32	S	S	.	.	S	Bend	trans	-144.6	135.1	-173.8	-179.4	0	0	0	0	109.1	E810 K813 T815	V808-E810 PolarHBondContact O-N 3.25Å; V808-K813 PolarHBondContact N-O 2.93Å; V808-K813 WeakPolarHBondContact O-CB 3.08Å; V808-K813 WeakPolarHBondContact O-CD 3.44Å; V808-K813 WeakPolarHBondContact O-CG 3.31Å; V808-T815 HydrophobicContact CB-CG2 4.42Å; V808-T815 HydrophobicContact CG2-CG2 3.63Å
809	D	79.4	Confident	84	Confident	93 Å²	93	68.4 Å²	68.4	50%	0.497	35%	0.346	S	S	.	.	S	Bend	trans	61.2	-39	-176.1	-43	-39.3	0	0	0	116.8	Y789 K813	Y789-D809 VanDerWaalsContact CE2-C 3.49Å; Y789-D809 WeakPolarHBondContact CE2-O 3.41Å; D809-K813 HydrophobicContact CB-CD 4.4Å; D809-K813 WeakPolarHBondContact OD2-CE 3.44Å; D809-K813 IonicContact OD2-NZ 3.12Å; D809-K813 PolarHBondContact OD2-NZ 2.94Å
810	E	80.9	Confident	83.1	Confident	101 Å²	101	65 Å²	65	47%	0.472	34%	0.344	S	S	.	.	S	Bend	trans	-140.8	150.4	-171.1	-64.7	159.2	-97.4	0	0	109.5	V808 E812 K813	V808-E810 PolarHBondContact O-N 3.25Å; E810-E812 PolarHBondContact O-N 2.99Å; E810-K813 HydrophobicContact CB-CB 3.85Å; E810-K813 HydrophobicContact CB-CD 4.27Å; E810-K813 HydrophobicContact CG-CD 4.44Å; E810-K813 PolarHBondContact O-N 3.34Å; E810-K813 WeakPolarHBondContact OE1-CD 3.46Å; E810-K813 IonicContact OE1-NZ 3.68Å; E810-K813 PolarHBondContact OE1-NZ 3.48Å
811	P	82.6	Confident	82.5	Confident	34 Å²	34	67.8 Å²	67.8	22%	0.221	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-40.8	-174.6	-16.7	26.4	0	0	0	113.7	Y789 H801 K813	Y789-P811 HydrophobicContact CE1-CB 4.33Å; Y789-P811 HydrophobicContact CE1-CG 3.98Å; H801-P811 HydrophobicContact CB-CB 4.34Å; H801-P811 WeakPolarHBondContact CB-O 3.15Å; H801-P811 PolarHBondContact N-O 3.46Å; P811-K813 VanDerWaalsContact C-N 3.33Å
812	E	78.1	Confident	81.8	Confident	99 Å²	99	67.2 Å²	67.2	46%	0.463	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-8	-175.4	-63.6	68	-147.7	0	0	113.7	H801 E810 C814 S827	H801-E812 HydrophobicContact CB-CG 4.26Å; H801-E812 IonicContact CD2-OE1 3.69Å; E810-E812 PolarHBondContact O-N 2.99Å; E812-C814 PolarHBondContact O-N 2.81Å; E812-C814 PolarHBondContact O-SG 2.92Å; E812-C814 VanDerWaalsContact O-SG 3.32Å; E812-S827 PolarHBondContact O-OG 2.83Å; E812-S827 VanDerWaalsContact O-OG 3.06Å
813	K	83	Confident	81.2	Confident	79 Å²	79	66.8 Å²	66.8	34%	0.343	35%	0.35	S	S	.	.			trans	-96.5	86.5	-173.8	-176.3	172.5	171.6	-168.7	0	110	C807 V808 D809 E810 P811 G826	C807-K813 CarbonylContact C-O 3.6Å; C807-K813 WeakPolarHBondContact CA-O 3.3Å; C807-K813 VanDerWaalsContact CB-O 3.3Å; C807-K813 WeakPolarHBondContact CB-O 3.35Å; V808-K813 PolarHBondContact N-O 2.93Å; V808-K813 WeakPolarHBondContact O-CB 3.08Å; V808-K813 WeakPolarHBondContact O-CD 3.44Å; V808-K813 WeakPolarHBondContact O-CG 3.31Å; D809-K813 HydrophobicContact CB-CD 4.4Å; D809-K813 WeakPolarHBondContact OD2-CE 3.44Å; D809-K813 IonicContact OD2-NZ 3.12Å; D809-K813 PolarHBondContact OD2-NZ 2.94Å; E810-K813 HydrophobicContact CB-CB 3.85Å; E810-K813 HydrophobicContact CB-CD 4.27Å; E810-K813 HydrophobicContact CG-CD 4.44Å; E810-K813 PolarHBondContact O-N 3.34Å; E810-K813 WeakPolarHBondContact OE1-CD 3.46Å; E810-K813 IonicContact OE1-NZ 3.68Å; E810-K813 PolarHBondContact OE1-NZ 3.48Å; P811-K813 VanDerWaalsContact C-N 3.33Å; K813-G826 CarbonylContact C-O 3.57Å; K813-G826 WeakPolarHBondContact CA-O 3.2Å
814	C	83.6	Confident	80.5	Confident	4 Å²	4	67.7 Å²	67.7	3%	0.027	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	147.2	-160.8	-55.5	0	0	0	0	112.5	C804 K806 E812 L823 G826	C804-C814 HydrophobicContact CB-CB 3.68Å; C804-C814 WeakPolarHBondContact CB-SG 3.37Å; C804-C814 WeakPolarHBondContact SG-CB 3.29Å; C804-C814 CovalentContact SG-SG 2.01Å; C804-C814 PolarHBondContact SG-SG 3.49Å; K806-C814 WeakPolarHBondContact O-CA 3.48Å; E812-C814 PolarHBondContact O-N 2.81Å; E812-C814 PolarHBondContact O-SG 2.92Å; E812-C814 VanDerWaalsContact O-SG 3.32Å; C814-L823 HydrophobicContact CB-CD1 4.45Å; C814-L823 VanDerWaalsContact O-CD1 3.24Å; C814-L823 WeakPolarHBondContact O-CD1 3.33Å; C814-G826 PolarHBondContact N-O 2.89Å
815	T	83.7	Confident	79.5	Confident	70 Å²	70	79.9 Å²	79.9	43%	0.429	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	-18.7	179.2	51.7	0	0	0	0	112.7	K806 V808	K806-T815 WeakPolarHBondContact CB-OG1 3.41Å; K806-T815 PolarHBondContact O-N 2.91Å; V808-T815 HydrophobicContact CB-CG2 4.42Å; V808-T815 HydrophobicContact CG2-CG2 3.63Å
816	V	85.3	Confident	78.6	Confident	61 Å²	61	76.6 Å²	76.6	37%	0.37	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	127.9	168.8	-173.6	0	0	0	0	107.9	K805 K806	K805-V816 WeakPolarHBondContact CA-O 3.35Å; K805-V816 HydrophobicContact CB-CB 4.29Å; K805-V816 HydrophobicContact CB-CG1 4.08Å; K805-V816 WeakPolarHBondContact CB-O 3.39Å; K805-V816 HydrophobicContact CD-CG1 4.18Å; K805-V816 HydrophobicContact CG-CG1 4.4Å; K805-V816 PolarHBondContact N-O 2.8Å; K806-V816 HydrophobicContact CB-CB 4.06Å; K806-V816 HydrophobicContact CB-CG2 4.12Å; K806-V816 HydrophobicContact CD-CG2 3.89Å; K806-V816 HydrophobicContact CG-CB 4.21Å; K806-V816 HydrophobicContact CG-CG2 4.13Å; K806-V816 PolarHBondContact N-O 3.3Å; K806-V816 PolarHBondContact O-N 3.19Å
817	C	84	Confident	78	Confident	17 Å²	17	73.7 Å²	73.7	12%	0.115	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	165.1	178.1	-60.3	0	0	0	0	112.4	K805 F821 C828	K805-C817 VanDerWaalsContact CB-O 3.26Å; K805-C817 WeakPolarHBondContact CB-O 3.37Å; K805-C817 WeakPolarHBondContact CD-O 3.45Å; C817-F821 HydrophobicContact CB-CB 4Å; C817-F821 WeakPolarHBondContact CB-O 3.16Å; C817-C828 WeakPolarHBondContact CA-SG 3.45Å; C817-C828 HydrophobicContact CB-CB 3.79Å; C817-C828 WeakPolarHBondContact CB-SG 3.37Å; C817-C828 WeakPolarHBondContact SG-CA 3.48Å; C817-C828 WeakPolarHBondContact SG-CB 3.37Å; C817-C828 CovalentContact SG-SG 2.03Å; C817-C828 PolarHBondContact SG-SG 3.37Å
818	K	80.6	Confident	77.6	Confident	97 Å²	97	74 Å²	74	42%	0.422	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-81.2	161.4	165	-66.8	-178.4	-173.6	165.4	0	109.7	P802 S803 C804 K805 F821	P802-K818 WeakPolarHBondContact O-CD 3.06Å; P802-K818 VanDerWaalsContact O-CE 3.3Å; P802-K818 WeakPolarHBondContact O-CE 3.43Å; P802-K818 PolarHBondContact O-NZ 2.9Å; S803-K818 PolarHBondContact O-N 3.47Å; C804-K818 WeakPolarHBondContact O-CE 3.5Å; K805-K818 HydrophobicContact CB-CG 4.07Å; K818-F821 PolarHBondContact O-N 3.2Å
819	E	79.6	Confident	77.1	Confident	168 Å²	168	73 Å²	73	79%	0.785	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	137.8	178.3	-71.6	128.8	-127.3	0	0	111.1	K805	K805-E819 IonicContact NZ-OE1 2.67Å; K805-E819 PolarHBondContact NZ-OE1 2.86Å
820	G	70	Confident	76.8	Confident	46 Å²	46	71.6 Å²	71.6	47%	0.474	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	5.9	-170.4	0	0	0	0	0	115.3	D831	G820-D831 WeakPolarHBondContact CA-OD2 3.22Å; G820-D831 PolarHBondContact O-N 2.67Å
821	F	77.9	Confident	76.4	Confident	78 Å²	78	70.8 Å²	70.8	34%	0.342	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	131.9	175.1	-61	-100.7	0	0	0	112.3	C817 K818 C828 I829 P830 D831	C817-F821 HydrophobicContact CB-CB 4Å; C817-F821 WeakPolarHBondContact CB-O 3.16Å; K818-F821 PolarHBondContact O-N 3.2Å; F821-C828 HydrophobicContact CB-CB 3.96Å; F821-C828 HydrophobicContact CD1-CB 4.43Å; F821-C828 HydrophobicContact CG-CB 4.44Å; F821-I829 CarbonylContact C-O 3.34Å; F821-I829 WeakPolarHBondContact CA-O 3.33Å; F821-I829 WeakPolarHBondContact CB-O 3.35Å; F821-P830 HydrophobicContact CD1-CG 4.48Å; F821-P830 HydrophobicContact CE1-CG 4.32Å; F821-D831 PolarHBondContact N-OD2 2.89Å
822	S	72.1	Confident	75.8	Confident	61 Å²	61	71.1 Å²	71.1	43%	0.427	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	151	169.6	-82.4	0	0	0	0	112.2	C828 I829 D831	S822-C828 CarbonylContact O-C 3.5Å; S822-C828 WeakPolarHBondContact O-CA 3.08Å; S822-I829 PolarHBondContact N-O 2.79Å; S822-I829 PolarHBondContact O-N 2.85Å; S822-D831 WeakPolarHBondContact CB-OD1 3.45Å; S822-D831 PolarHBondContact N-OD1 2.92Å; S822-D831 PolarHBondContact OG-OD1 3.42Å
823	L	71.1	Confident	75.7	Confident	88 Å²	88	73.8 Å²	73.8	46%	0.461	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	112.4	178.4	-178.3	62	0	0	0	111	C814	C814-L823 HydrophobicContact CB-CD1 4.45Å; C814-L823 VanDerWaalsContact O-CD1 3.24Å; C814-L823 WeakPolarHBondContact O-CD1 3.33Å
824	A	65.8	Low	75.1	Confident	35 Å²	35	75.7 Å²	75.7	29%	0.289	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	126.5	177.1	0	0	0	0	0	111.1	G826 S827 I829	A824-G826 PolarHBondContact O-N 3.44Å; A824-S827 PolarHBondContact N-O 3.03Å; A824-S827 PolarHBondContact O-N 2.85Å; A824-I829 HydrophobicContact CB-CD1 3.54Å; A824-I829 HydrophobicContact CB-CG1 3.76Å; A824-I829 HydrophobicContact CB-CG2 4.19Å
825	R	66.7	Low	74.7	Confident	259 Å²	259	76.8 Å²	76.8	98%	0.977	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	23.7	177.6	-60.1	-176.4	176.7	172.8	1.4	115.5
826	G	67.9	Low	74.6	Confident	28 Å²	28	75.3 Å²	75.3	29%	0.289	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.7	8.7	-177.8	0	0	0	0	0	115.1	K813 C814 A824	K813-G826 CarbonylContact C-O 3.57Å; K813-G826 WeakPolarHBondContact CA-O 3.2Å; C814-G826 PolarHBondContact N-O 2.89Å; A824-G826 PolarHBondContact O-N 3.44Å
827	S	72.8	Confident	74.3	Confident	57 Å²	57	74.2 Å²	74.2	40%	0.399	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156.9	170.7	-63	0	0	0	0	111.2	E812 A824	E812-S827 PolarHBondContact O-OG 2.83Å; E812-S827 VanDerWaalsContact O-OG 3.06Å; A824-S827 PolarHBondContact N-O 3.03Å; A824-S827 PolarHBondContact O-N 2.85Å
828	C	78.6	Confident	74	Confident	15 Å²	15	76 Å²	76	10%	0.101	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	108.3	-177.1	-65.2	0	0	0	0	110.6	C817 F821 S822	C817-C828 WeakPolarHBondContact CA-SG 3.45Å; C817-C828 HydrophobicContact CB-CB 3.79Å; C817-C828 WeakPolarHBondContact CB-SG 3.37Å; C817-C828 WeakPolarHBondContact SG-CA 3.48Å; C817-C828 WeakPolarHBondContact SG-CB 3.37Å; C817-C828 CovalentContact SG-SG 2.03Å; C817-C828 PolarHBondContact SG-SG 3.37Å; F821-C828 HydrophobicContact CB-CB 3.96Å; F821-C828 HydrophobicContact CD1-CB 4.43Å; F821-C828 HydrophobicContact CG-CB 4.44Å; S822-C828 CarbonylContact O-C 3.5Å; S822-C828 WeakPolarHBondContact O-CA 3.08Å
829	I	75.4	Confident	73.5	Confident	42 Å²	42	72.7 Å²	72.7	22%	0.215	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	152.7	177	62.9	166.6	0	0	0	110.4	F821 S822 A824 F838	F821-I829 CarbonylContact C-O 3.34Å; F821-I829 WeakPolarHBondContact CA-O 3.33Å; F821-I829 WeakPolarHBondContact CB-O 3.35Å; S822-I829 PolarHBondContact N-O 2.79Å; S822-I829 PolarHBondContact O-N 2.85Å; A824-I829 HydrophobicContact CB-CD1 3.54Å; A824-I829 HydrophobicContact CB-CG1 3.76Å; A824-I829 HydrophobicContact CB-CG2 4.19Å; I829-F838 HydrophobicContact CB-CE1 4.39Å; I829-F838 HydrophobicContact CB-CZ 4.45Å; I829-F838 HydrophobicContact CD1-CB 4.13Å; I829-F838 HydrophobicContact CD1-CD1 3.96Å; I829-F838 HydrophobicContact CD1-CG 4.02Å; I829-F838 HydrophobicContact CG2-CD1 4.43Å; I829-F838 HydrophobicContact CG2-CE1 4.03Å; I829-F838 HydrophobicContact CG2-CZ 4.35Å
830	P	72.6	Confident	72.7	Confident	65 Å²	65	68.8 Å²	68.8	42%	0.422	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	147.7	175.2	-21.4	33.8	0	0	0	112.4	F821	F821-P830 HydrophobicContact CD1-CG 4.48Å; F821-P830 HydrophobicContact CE1-CG 4.32Å
831	D	72.3	Confident	72.6	Confident	84 Å²	84	75 Å²	75	45%	0.449	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-72.7	127.6	172.5	-62.5	-45.6	0	0	0	110.8	G820 F821 S822	G820-D831 WeakPolarHBondContact CA-OD2 3.22Å; G820-D831 PolarHBondContact O-N 2.67Å; F821-D831 PolarHBondContact N-OD2 2.89Å; S822-D831 WeakPolarHBondContact CB-OD1 3.45Å; S822-D831 PolarHBondContact N-OD1 2.92Å; S822-D831 PolarHBondContact OG-OD1 3.42Å
832	C	71.8	Confident	72.2	Confident	41 Å²	41	76 Å²	76	28%	0.277	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-97.9	148.6	177.9	-74.1	0	0	0	0	112.3	C845	C832-C845 WeakPolarHBondContact CA-SG 3.46Å; C832-C845 HydrophobicContact CB-CB 3.87Å; C832-C845 WeakPolarHBondContact CB-SG 3.48Å; C832-C845 WeakPolarHBondContact SG-CB 3.43Å; C832-C845 CovalentContact SG-SG 2.04Å; C832-C845 PolarHBondContact SG-SG 3.1Å
833	E	76.1	Confident	72	Confident	154 Å²	154	79.4 Å²	79.4	72%	0.72	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-75.4	150.2	-178.2	-64.7	-167.3	151	0	0	112.8	G835 T836	E833-G835 PolarHBondContact O-N 2.92Å; E833-T836 PolarHBondContact N-OG1 2.79Å; E833-T836 PolarHBondContact O-N 3.02Å; E833-T836 PolarHBondContact O-OG1 2.88Å
834	P	69.9	Low	72.2	Confident	119 Å²	119	82.6 Å²	82.6	77%	0.773	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	134.2	176.2	-25.5	34.9	0	0	0	112.6
835	G	74.9	Confident	73	Confident	27 Å²	27	83.6 Å²	83.6	28%	0.278	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.8	-4.6	-168.5	0	0	0	0	0	114.3	E833 C848 G853	E833-G835 PolarHBondContact O-N 2.92Å; G835-C848 VanDerWaalsContact C-SG 3.57Å; G835-C848 WeakPolarHBondContact O-CB 3.36Å; G835-C848 PolarHBondContact O-N 2.91Å; G835-C848 PolarHBondContact O-SG 3.3Å; G835-G853 PolarHBondContact N-O 3.41Å
836	T	81.1	Confident	73.6	Confident	40 Å²	40	71.9 Å²	71.9	25%	0.245	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	159.8	173.6	69	0	0	0	0	112.6	E833 C845 G846	E833-T836 PolarHBondContact N-OG1 2.79Å; E833-T836 PolarHBondContact O-N 3.02Å; E833-T836 PolarHBondContact O-OG1 2.88Å; T836-C845 HydrophobicContact CG2-CB 4.49Å; T836-G846 CarbonylContact C-O 3.56Å; T836-G846 WeakPolarHBondContact CA-O 3.49Å; T836-G846 WeakPolarHBondContact CB-O 3.32Å
837	Y	78.9	Confident	74.5	Confident	37 Å²	37	78.4 Å²	78.4	15%	0.145	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	155.7	171.1	72.6	-80.1	0	0	0	110.1	D839 C845 G846 E847 P858	Y837-D839 HydrophobicContact CE2-CB 3.99Å; Y837-D839 PolarHBondContact O-N 3.42Å; Y837-C845 CarbonylContact O-C 3.57Å; Y837-C845 VanDerWaalsContact O-CA 3.26Å; Y837-C845 WeakPolarHBondContact O-CA 3.14Å; Y837-G846 VanDerWaalsContact CD1-O 3.26Å; Y837-G846 WeakPolarHBondContact CD1-O 3.29Å; Y837-G846 PolarHBondContact N-O 3.18Å; Y837-G846 PolarHBondContact O-N 2.78Å; Y837-E847 WeakPolarHBondContact CE1-O 3.07Å; Y837-P858 HydrophobicContact CE1-CB 3.96Å; Y837-P858 HydrophobicContact CE1-CG 4.41Å
838	F	77.5	Confident	75.2	Confident	56 Å²	56	76.6 Å²	76.6	25%	0.246	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	109	175.7	-176	-101.2	0	0	0	111	I829 S840 I843	I829-F838 HydrophobicContact CB-CE1 4.39Å; I829-F838 HydrophobicContact CB-CZ 4.45Å; I829-F838 HydrophobicContact CD1-CB 4.13Å; I829-F838 HydrophobicContact CD1-CD1 3.96Å; I829-F838 HydrophobicContact CD1-CG 4.02Å; I829-F838 HydrophobicContact CG2-CD1 4.43Å; I829-F838 HydrophobicContact CG2-CE1 4.03Å; I829-F838 HydrophobicContact CG2-CZ 4.35Å; F838-S840 PolarHBondContact O-N 3.18Å; F838-I843 HydrophobicContact CZ-CG2 4.02Å
839	D	71.3	Confident	75.8	Confident	26 Å²	26	78.6 Å²	78.6	14%	0.139	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	113.3	172.4	-175.8	-31.9	0	0	0	109.5	Y837 E841 L842 I843 R844	Y837-D839 HydrophobicContact CE2-CB 3.99Å; Y837-D839 PolarHBondContact O-N 3.42Å; D839-E841 WeakPolarHBondContact OD1-CA 3.48Å; D839-E841 PolarHBondContact OD1-N 3.4Å; D839-L842 HydrophobicContact CB-CB 4.3Å; D839-L842 PolarHBondContact OD1-N 3.24Å; D839-L842 WeakPolarHBondContact OD2-CD1 3.2Å; D839-L842 WeakPolarHBondContact OD2-CG 3.41Å; D839-I843 VanDerWaalsContact O-CA 3.29Å; D839-I843 WeakPolarHBondContact O-CA 3.44Å; D839-I843 PolarHBondContact O-N 3.5Å; D839-R844 WeakPolarHBondContact CB-O 3.42Å; D839-R844 PolarHBondContact N-O 2.88Å; D839-R844 PolarHBondContact O-N 3.49Å
840	S	61.8	Low	76.4	Confident	87 Å²	87	83.3 Å²	83.3	61%	0.608	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-12.8	-178.7	56	0	0	0	0	114.9	F838	F838-S840 PolarHBondContact O-N 3.18Å
841	E	69.3	Low	77.2	Confident	177 Å²	177	80.8 Å²	80.8	83%	0.827	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-36.5	175.5	-61.1	-167.8	173.4	0	0	110.9	D839	D839-E841 WeakPolarHBondContact OD1-CA 3.48Å; D839-E841 PolarHBondContact OD1-N 3.4Å
842	L	68.3	Low	78	Confident	97 Å²	97	77.2 Å²	77.2	51%	0.508	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-4.9	178.2	-56.9	-175.4	0	0	0	114.2	D839 R844	D839-L842 HydrophobicContact CB-CB 4.3Å; D839-L842 PolarHBondContact OD1-N 3.24Å; D839-L842 WeakPolarHBondContact OD2-CD1 3.2Å; D839-L842 WeakPolarHBondContact OD2-CG 3.41Å; L842-R844 VanDerWaalsContact C-N 3.28Å; L842-R844 HydrophobicContact CB-CG 3.89Å; L842-R844 PolarHBondContact O-N 3.36Å
843	I	67.1	Low	78.5	Confident	134 Å²	134	76.5 Å²	76.5	69%	0.687	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	45.8	178.2	-39.5	-177.6	0	0	0	112	F838 D839	F838-I843 HydrophobicContact CZ-CG2 4.02Å; D839-I843 VanDerWaalsContact O-CA 3.29Å; D839-I843 WeakPolarHBondContact O-CA 3.44Å; D839-I843 PolarHBondContact O-N 3.5Å
844	R	77.2	Confident	78.7	Confident	154 Å²	154	71.1 Å²	71.1	58%	0.581	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154.6	164	-177.6	67.5	-174.1	-175.1	166.4	3.7	111	D839 L842 G846	D839-R844 WeakPolarHBondContact CB-O 3.42Å; D839-R844 PolarHBondContact N-O 2.88Å; D839-R844 PolarHBondContact O-N 3.49Å; L842-R844 VanDerWaalsContact C-N 3.28Å; L842-R844 HydrophobicContact CB-CG 3.89Å; L842-R844 PolarHBondContact O-N 3.36Å; R844-G846 PolarHBondContact O-N 3.4Å
845	C	81.6	Confident	79.2	Confident	56 Å²	56	65.8 Å²	65.8	38%	0.378	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	123.2	169.8	-49.9	0	0	0	0	109.7	C832 T836 Y837	C832-C845 WeakPolarHBondContact CA-SG 3.46Å; C832-C845 HydrophobicContact CB-CB 3.87Å; C832-C845 WeakPolarHBondContact CB-SG 3.48Å; C832-C845 WeakPolarHBondContact SG-CB 3.43Å; C832-C845 CovalentContact SG-SG 2.04Å; C832-C845 PolarHBondContact SG-SG 3.1Å; T836-C845 HydrophobicContact CG2-CB 4.49Å; Y837-C845 CarbonylContact O-C 3.57Å; Y837-C845 VanDerWaalsContact O-CA 3.26Å; Y837-C845 WeakPolarHBondContact O-CA 3.14Å
846	G	80.1	Confident	79.3	Confident	13 Å²	13	69.5 Å²	69.5	13%	0.134	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	153.7	172.4	0	0	0	0	0	111.2	T836 Y837 R844	T836-G846 CarbonylContact C-O 3.56Å; T836-G846 WeakPolarHBondContact CA-O 3.49Å; T836-G846 WeakPolarHBondContact CB-O 3.32Å; Y837-G846 VanDerWaalsContact CD1-O 3.26Å; Y837-G846 WeakPolarHBondContact CD1-O 3.29Å; Y837-G846 PolarHBondContact N-O 3.18Å; Y837-G846 PolarHBondContact O-N 2.78Å; R844-G846 PolarHBondContact O-N 3.4Å
847	E	86.6	Confident	79.2	Confident	166 Å²	166	67.7 Å²	67.7	78%	0.776	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	140.4	-176.9	-64.3	-175.8	165.4	0	0	112.5	Y837	Y837-E847 WeakPolarHBondContact CE1-O 3.07Å
848	C	87.7	Confident	79.4	Confident	18 Å²	18	69.5 Å²	69.5	12%	0.122	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-68.2	158.6	170.2	-69.8	0	0	0	0	112	G835 H850 C852 C855	G835-C848 VanDerWaalsContact C-SG 3.57Å; G835-C848 WeakPolarHBondContact O-CB 3.36Å; G835-C848 PolarHBondContact O-N 2.91Å; G835-C848 PolarHBondContact O-SG 3.3Å; C848-H850 PolarHBondContact O-N 3.01Å; C848-C852 HydrophobicContact CB-CB 4.14Å; C848-C855 WeakPolarHBondContact CA-SG 3.39Å; C848-C855 HydrophobicContact CB-CB 3.79Å; C848-C855 WeakPolarHBondContact CB-SG 3.5Å; C848-C855 WeakPolarHBondContact SG-CB 3.27Å; C848-C855 PolarHBondContact SG-N 3.14Å; C848-C855 VanDerWaalsContact SG-N 3.36Å; C848-C855 CovalentContact SG-SG 2.03Å; C848-C855 PolarHBondContact SG-SG 2.84Å
849	H	89.6	Confident	79.5	Confident	57 Å²	57	68 Å²	68	26%	0.264	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-55.8	136.2	164.7	-167.9	-94.4	0	0	0	110.2	T851 C852	H849-T851 PolarHBondContact ND1-OG1 3.33Å; H849-T851 PolarHBondContact O-N 2.73Å; H849-C852 WeakPolarHBondContact O-CB 3.16Å; H849-C852 PolarHBondContact O-N 3.26Å
850	H	89.7	Confident	80	Confident	141 Å²	141	73.9 Å²	73.9	65%	0.653	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-6.4	-169.2	78.6	85	0	0	0	116.2	C848	C848-H850 PolarHBondContact O-N 3.01Å
851	T	89.4	Confident	80.9	Confident	12 Å²	12	73.7 Å²	73.7	7%	0.074	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-11.9	174.3	58.5	0	0	0	0	112.9	H849 A867 F870 C877	H849-T851 PolarHBondContact ND1-OG1 3.33Å; H849-T851 PolarHBondContact O-N 2.73Å; T851-A867 WeakPolarHBondContact O-CB 3.49Å; T851-A867 PolarHBondContact O-N 2.84Å; T851-F870 HydrophobicContact CG2-CD1 3.94Å; T851-F870 HydrophobicContact CG2-CE1 3.51Å; T851-F870 HydrophobicContact CG2-CZ 3.88Å; T851-C877 WeakPolarHBondContact O-CB 3.25Å
852	C	88.3	Confident	81.4	Confident	9 Å²	9	69.1 Å²	69.1	6%	0.061	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	143.4	174.4	-39.7	0	0	0	0	110.8	C848 H849 C855 C863 H865	C848-C852 HydrophobicContact CB-CB 4.14Å; H849-C852 WeakPolarHBondContact O-CB 3.16Å; H849-C852 PolarHBondContact O-N 3.26Å; C852-C855 HydrophobicContact CB-CB 4.15Å; C852-C863 VanDerWaalsContact CA-SG 3.56Å; C852-C863 HydrophobicContact CB-CB 3.66Å; C852-C863 WeakPolarHBondContact CB-SG 3.22Å; C852-C863 WeakPolarHBondContact SG-CA 3.32Å; C852-C863 WeakPolarHBondContact SG-CB 3.29Å; C852-C863 CovalentContact SG-SG 2.03Å; C852-C863 PolarHBondContact SG-SG 3.12Å; C852-H865 CarbonylContact C-O 3.6Å; C852-H865 WeakPolarHBondContact CA-O 3.27Å
853	G	81.5	Confident	82	Confident	27 Å²	27	64.8 Å²	64.8	28%	0.278	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-26.7	162.7	0	0	0	0	0	112.4	G835 H865	G835-G853 PolarHBondContact N-O 3.41Å; G853-H865 PolarHBondContact N-O 3Å
854	T	81	Confident	82.5	Confident	40 Å²	40	62.4 Å²	62.4	25%	0.245	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	149.2	167.3	54.3	0	0	0	0	109.1	I864 H865	T854-I864 PolarHBondContact O-N 3.16Å; T854-H865 PolarHBondContact N-O 3.49Å; T854-H865 PolarHBondContact O-N 2.86Å; T854-H865 WeakPolarHBondContact OG1-CB 3.22Å; T854-H865 PolarHBondContact OG1-CD2 3.46Å; T854-H865 PolarHBondContact OG1-N 3.3Å
855	C	81.1	Confident	82.9	Confident	8 Å²	8	58 Å²	58	5%	0.054	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	165.2	-173.4	65.6	0	0	0	0	111.8	C848 C852 G857 E862 I864	C848-C855 WeakPolarHBondContact CA-SG 3.39Å; C848-C855 HydrophobicContact CB-CB 3.79Å; C848-C855 WeakPolarHBondContact CB-SG 3.5Å; C848-C855 WeakPolarHBondContact SG-CB 3.27Å; C848-C855 PolarHBondContact SG-N 3.14Å; C848-C855 VanDerWaalsContact SG-N 3.36Å; C848-C855 CovalentContact SG-SG 2.03Å; C848-C855 PolarHBondContact SG-SG 2.84Å; C852-C855 HydrophobicContact CB-CB 4.15Å; C855-G857 WeakPolarHBondContact CB-O 3.45Å; C855-G857 PolarHBondContact SG-O 2.97Å; C855-E862 CarbonylContact C-O 3.56Å; C855-E862 WeakPolarHBondContact CA-O 3.37Å; C855-E862 WeakPolarHBondContact CB-O 3.36Å; C855-I864 WeakPolarHBondContact O-CD1 3.32Å
856	V	76.9	Confident	83.1	Confident	104 Å²	104	55.7 Å²	55.7	63%	0.63	30%	0.295	S	S	*	.	S	Bend	trans	-97.6	-7.6	167.8	-62.6	0	0	0	0	113.3	E862 I864	V856-E862 HydrophobicContact CG2-CB 3.86Å; V856-E862 HydrophobicContact CG2-CG 4.47Å; V856-E862 PolarHBondContact N-O 2.98Å; V856-I864 HydrophobicContact CG1-CD1 3.73Å; V856-I864 HydrophobicContact CG1-CG1 3.79Å
857	G	78.7	Confident	83.4	Confident	3 Å²	3	56 Å²	56	3%	0.031	30%	0.297	C	S	.	.	S	Bend	trans	-171.8	178.5	-176.4	0	0	0	0	0	112.3	C855 G859 E862	C855-G857 WeakPolarHBondContact CB-O 3.45Å; C855-G857 PolarHBondContact SG-O 2.97Å; G857-G859 VanDerWaalsContact C-N 3.26Å; G857-G859 PolarHBondContact O-N 2.66Å; G857-E862 VanDerWaalsContact CA-OE2 3.26Å; G857-E862 WeakPolarHBondContact CA-OE2 3.24Å
858	P	82.8	Confident	83.2	Confident	75 Å²	75	57.1 Å²	57.1	49%	0.487	30%	0.299	S	S	.	.	S	Bend	trans	-78.8	-5.4	-173	33.8	-34.9	0	0	0	113.5	Y837 E862	Y837-P858 HydrophobicContact CE1-CB 3.96Å; Y837-P858 HydrophobicContact CE1-CG 4.41Å; P858-E862 WeakPolarHBondContact CD-OE2 3.43Å
859	G	80.3	Confident	82.9	Confident	24 Å²	24	62.6 Å²	62.6	25%	0.247	33%	0.327	C	S	.	.	S	Bend	trans	-77.9	144.1	-176.7	0	0	0	0	0	114.1	G857 E861 E862	G857-G859 VanDerWaalsContact C-N 3.26Å; G857-G859 PolarHBondContact O-N 2.66Å; G859-E861 PolarHBondContact O-N 3.31Å; G859-E862 WeakPolarHBondContact CA-OE2 3.45Å; G859-E862 PolarHBondContact N-OE2 3Å; G859-E862 WeakPolarHBondContact O-CB 3.41Å; G859-E862 PolarHBondContact O-N 3Å
860	R	80.8	Confident	82.9	Confident	150 Å²	150	62 Å²	62	57%	0.566	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-10.4	174	79.2	-173.6	-174.3	-170.3	-3.2	114.9
861	E	80.9	Confident	82.8	Confident	82 Å²	82	56.8 Å²	56.8	38%	0.383	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	9.9	-176.7	-37.6	-159.1	166.1	0	0	111	G859 W875 K876	G859-E861 PolarHBondContact O-N 3.31Å; E861-W875 CarbonylContact C-O 3.51Å; E861-W875 WeakPolarHBondContact CA-O 3.35Å; E861-K876 HydrophobicContact CB-CG 4.11Å; E861-K876 HydrophobicContact CG-CD 3.97Å; E861-K876 HydrophobicContact CG-CG 3.93Å; E861-K876 WeakPolarHBondContact OE1-CE 3.39Å; E861-K876 IonicContact OE1-NZ 3.12Å; E861-K876 PolarHBondContact OE1-NZ 3.39Å; E861-K876 WeakPolarHBondContact OE2-CE 3.33Å; E861-K876 IonicContact OE2-NZ 3.87Å; E861-K876 PolarHBondContact OE2-NZ 3.49Å
862	E	79.8	Confident	82.6	Confident	82 Å²	82	58.3 Å²	58.3	38%	0.383	31%	0.305	S	S	.	.			trans	-115.3	17	-177.2	-59.8	-179.4	137.5	0	0	111.6	C855 V856 G857 P858 G859	C855-E862 CarbonylContact C-O 3.56Å; C855-E862 WeakPolarHBondContact CA-O 3.37Å; C855-E862 WeakPolarHBondContact CB-O 3.36Å; V856-E862 HydrophobicContact CG2-CB 3.86Å; V856-E862 HydrophobicContact CG2-CG 4.47Å; V856-E862 PolarHBondContact N-O 2.98Å; G857-E862 VanDerWaalsContact CA-OE2 3.26Å; G857-E862 WeakPolarHBondContact CA-OE2 3.24Å; P858-E862 WeakPolarHBondContact CD-OE2 3.43Å; G859-E862 WeakPolarHBondContact CA-OE2 3.45Å; G859-E862 PolarHBondContact N-OE2 3Å; G859-E862 WeakPolarHBondContact O-CB 3.41Å; G859-E862 PolarHBondContact O-N 3Å
863	C	80.8	Confident	82.3	Confident	6 Å²	6	59.8 Å²	59.8	4%	0.041	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	128	176.4	-57.4	0	0	0	0	111.4	C852 C877	C852-C863 VanDerWaalsContact CA-SG 3.56Å; C852-C863 HydrophobicContact CB-CB 3.66Å; C852-C863 WeakPolarHBondContact CB-SG 3.22Å; C852-C863 WeakPolarHBondContact SG-CA 3.32Å; C852-C863 WeakPolarHBondContact SG-CB 3.29Å; C852-C863 CovalentContact SG-SG 2.03Å; C852-C863 PolarHBondContact SG-SG 3.12Å; C863-C877 VanDerWaalsContact CB-SG 3.51Å
864	I	78.7	Confident	82	Confident	84 Å²	84	64 Å²	64	43%	0.431	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-43.7	168	-56.2	165.9	0	0	0	109.3	T854 C855 V856	T854-I864 PolarHBondContact O-N 3.16Å; C855-I864 WeakPolarHBondContact O-CD1 3.32Å; V856-I864 HydrophobicContact CG1-CD1 3.73Å; V856-I864 HydrophobicContact CG1-CG1 3.79Å
865	H	84.3	Confident	81.3	Confident	61 Å²	61	71.2 Å²	71.2	28%	0.282	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.7	174.8	-61	-24	0	0	0	110.3	C852 G853 T854 P894 H895	C852-H865 CarbonylContact C-O 3.6Å; C852-H865 WeakPolarHBondContact CA-O 3.27Å; G853-H865 PolarHBondContact N-O 3Å; T854-H865 PolarHBondContact N-O 3.49Å; T854-H865 PolarHBondContact O-N 2.86Å; T854-H865 WeakPolarHBondContact OG1-CB 3.22Å; T854-H865 PolarHBondContact OG1-CD2 3.46Å; T854-H865 PolarHBondContact OG1-N 3.3Å; H865-P894 HydrophobicContact CB-CG 4Å; H865-H895 AromaticContact ND1-CE1 3.75Å
866	C	85.9	Confident	81.3	Confident	8 Å²	8	74.3 Å²	74.3	5%	0.054	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	149.4	177.4	-58.7	0	0	0	0	113.1	F870 C877 H895	C866-F870 HydrophobicContact CB-CB 3.89Å; C866-C877 WeakPolarHBondContact CA-SG 3.47Å; C866-C877 HydrophobicContact CB-CB 3.68Å; C866-C877 WeakPolarHBondContact CB-SG 3.33Å; C866-C877 VanDerWaalsContact SG-CA 3.52Å; C866-C877 WeakPolarHBondContact SG-CB 3.42Å; C866-C877 CovalentContact SG-SG 2.04Å; C866-C877 PolarHBondContact SG-SG 3.48Å; C866-H895 HydrophobicContact CB-CB 3.93Å; C866-H895 PolarHBondContact N-ND1 3.35Å
867	A	86.4	Confident	81.9	Confident	20 Å²	20	69.8 Å²	69.8	17%	0.165	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-64.6	161.1	170	0	0	0	0	0	110.5	T851 N869 F870	T851-A867 WeakPolarHBondContact O-CB 3.49Å; T851-A867 PolarHBondContact O-N 2.84Å; A867-N869 PolarHBondContact O-N 2.71Å; A867-F870 HydrophobicContact CB-CD2 3.96Å; A867-F870 WeakPolarHBondContact O-CB 3.3Å; A867-F870 PolarHBondContact O-N 3.04Å
868	K	82.1	Confident	82.4	Confident	189 Å²	189	71.5 Å²	71.5	82%	0.822	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	133.7	-180	-168.2	172.6	-178	177.4	0	110.6	F870	K868-F870 VanDerWaalsContact C-N 3.31Å; K868-F870 PolarHBondContact O-N 3.08Å
869	N	82.6	Confident	82.6	Confident	133 Å²	133	72.8 Å²	72.8	71%	0.711	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	2.2	-174.2	-46.2	-27.7	0	0	0	116.5	A867	A867-N869 PolarHBondContact O-N 2.71Å
870	F	88.9	Confident	82.9	Confident	45 Å²	45	74.7 Å²	74.7	20%	0.197	37%	0.367	C	S	.	.			trans	-95.2	161.1	168.4	-70.2	-94.9	0	0	0	111.4	T851 C866 A867 K868 C877 P879	T851-F870 HydrophobicContact CG2-CD1 3.94Å; T851-F870 HydrophobicContact CG2-CE1 3.51Å; T851-F870 HydrophobicContact CG2-CZ 3.88Å; C866-F870 HydrophobicContact CB-CB 3.89Å; A867-F870 HydrophobicContact CB-CD2 3.96Å; A867-F870 WeakPolarHBondContact O-CB 3.3Å; A867-F870 PolarHBondContact O-N 3.04Å; K868-F870 VanDerWaalsContact C-N 3.31Å; K868-F870 PolarHBondContact O-N 3.08Å; F870-C877 HydrophobicContact CB-CB 4.15Å; F870-P879 HydrophobicContact CD1-CB 4.3Å; F870-P879 HydrophobicContact CE1-CB 4.01Å
871	H	87.4	Confident	83.3	Confident	31 Å²	31	68.8 Å²	68.8	14%	0.144	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142.1	-177.2	-55.6	-16.5	0	0	0	110.2	C877 V878 K896	H871-C877 CarbonylContact O-C 3.49Å; H871-C877 WeakPolarHBondContact O-CA 3.3Å; H871-V878 HydrophobicContact CB-CG2 4.46Å; H871-V878 PolarHBondContact N-O 2.88Å; H871-V878 WeakPolarHBondContact O-CG2 3.34Å; H871-V878 PolarHBondContact O-N 2.89Å; H871-K896 CarbonylContact C-O 3.58Å; H871-K896 VanDerWaalsContact CA-O 3.25Å; H871-K896 WeakPolarHBondContact CA-O 3.3Å
872	F	84.6	Confident	83.4	Confident	43 Å²	43	66.9 Å²	66.9	19%	0.189	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	126.1	-179.1	-167.4	-97.7	0	0	0	111.1	W875 K896 V897 C898	F872-W875 HydrophobicContact CZ-CD2 4.28Å; F872-W875 HydrophobicContact CZ-CE3 4.03Å; F872-K896 PolarHBondContact N-O 3.19Å; F872-V897 HydrophobicContact CB-CG2 4.42Å; F872-C898 PolarHBondContact O-N 3.17Å
873	H	83.1	Confident	83.4	Confident	41 Å²	41	72.6 Å²	72.6	19%	0.19	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	124.5	176.7	-173	-59	0	0	0	108.6	W875 K876 V878 F885 C898	H873-W875 PolarHBondContact O-N 3.15Å; H873-K876 PolarHBondContact N-O 3.45Å; H873-K876 PolarHBondContact O-N 3.25Å; H873-K876 VanDerWaalsContact O-O 3.08Å; H873-V878 HydrophobicContact CB-CG2 3.89Å; H873-F885 AromaticContact NE2-CZ 4Å; H873-C898 HydrophobicContact CB-CB 4.07Å
874	D	73.9	Confident	83.3	Confident	116 Å²	116	74.1 Å²	74.1	62%	0.62	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.4	57.8	178.1	-60.4	-22.6	0	0	0	114.6	K876	D874-K876 WeakPolarHBondContact O-CE 3.46Å; D874-K876 PolarHBondContact O-N 2.87Å
875	W	67.6	Low	83.5	Confident	191 Å²	191	73 Å²	73	72%	0.723	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	15.4	-179.8	-58	92.5	0	0	0	115.7	E861 F872 H873	E861-W875 CarbonylContact C-O 3.51Å; E861-W875 WeakPolarHBondContact CA-O 3.35Å; F872-W875 HydrophobicContact CZ-CD2 4.28Å; F872-W875 HydrophobicContact CZ-CE3 4.03Å; H873-W875 PolarHBondContact O-N 3.15Å
876	K	81	Confident	83.4	Confident	72 Å²	72	73.3 Å²	73.3	31%	0.313	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	146.2	-176.7	-62.2	170.2	-143.3	-156.2	0	110.7	E861 H873 D874	E861-K876 HydrophobicContact CB-CG 4.11Å; E861-K876 HydrophobicContact CG-CD 3.97Å; E861-K876 HydrophobicContact CG-CG 3.93Å; E861-K876 WeakPolarHBondContact OE1-CE 3.39Å; E861-K876 IonicContact OE1-NZ 3.12Å; E861-K876 PolarHBondContact OE1-NZ 3.39Å; E861-K876 WeakPolarHBondContact OE2-CE 3.33Å; E861-K876 IonicContact OE2-NZ 3.87Å; E861-K876 PolarHBondContact OE2-NZ 3.49Å; H873-K876 PolarHBondContact N-O 3.45Å; H873-K876 PolarHBondContact O-N 3.25Å; H873-K876 VanDerWaalsContact O-O 3.08Å; D874-K876 WeakPolarHBondContact O-CE 3.46Å; D874-K876 PolarHBondContact O-N 2.87Å
877	C	89.3	Confident	83.4	Confident	9 Å²	9	75.7 Å²	75.7	6%	0.061	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	103.7	176.2	-68.6	0	0	0	0	109.8	T851 C863 C866 F870 H871	T851-C877 WeakPolarHBondContact O-CB 3.25Å; C863-C877 VanDerWaalsContact CB-SG 3.51Å; C866-C877 WeakPolarHBondContact CA-SG 3.47Å; C866-C877 HydrophobicContact CB-CB 3.68Å; C866-C877 WeakPolarHBondContact CB-SG 3.33Å; C866-C877 VanDerWaalsContact SG-CA 3.52Å; C866-C877 WeakPolarHBondContact SG-CB 3.42Å; C866-C877 CovalentContact SG-SG 2.04Å; C866-C877 PolarHBondContact SG-SG 3.48Å; F870-C877 HydrophobicContact CB-CB 4.15Å; H871-C877 CarbonylContact O-C 3.49Å; H871-C877 WeakPolarHBondContact O-CA 3.3Å
878	V	88.1	Confident	83.3	Confident	40 Å²	40	76.8 Å²	76.8	24%	0.242	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	148	-174.4	-66.4	0	0	0	0	111.3	H871 H873 A880	H871-V878 HydrophobicContact CB-CG2 4.46Å; H871-V878 PolarHBondContact N-O 2.88Å; H871-V878 WeakPolarHBondContact O-CG2 3.34Å; H871-V878 PolarHBondContact O-N 2.89Å; H873-V878 HydrophobicContact CB-CG2 3.89Å; V878-A880 VanDerWaalsContact C-N 3.27Å; V878-A880 WeakPolarHBondContact CG2-O 3.38Å; V878-A880 PolarHBondContact O-N 3.35Å
879	P	87.9	Confident	83.3	Confident	102 Å²	102	74.5 Å²	74.5	66%	0.662	39%	0.394	S	S	*	.	S	Bend	trans	-75.5	-14.1	-178.5	30.7	-36.1	0	0	0	113.7	F870	F870-P879 HydrophobicContact CD1-CB 4.3Å; F870-P879 HydrophobicContact CE1-CB 4.01Å
880	A	87.4	Confident	82.8	Confident	63 Å²	63	72.4 Å²	72.4	52%	0.521	38%	0.381	S	S	.	.	S	Bend	trans	-154.7	156	174.7	0	0	0	0	0	109.5	V878	V878-A880 VanDerWaalsContact C-N 3.27Å; V878-A880 WeakPolarHBondContact CG2-O 3.38Å; V878-A880 PolarHBondContact O-N 3.35Å
881	C	87.6	Confident	81.4	Confident	27 Å²	27	76.5 Å²	76.5	18%	0.182	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-76.2	145.8	172.5	-58.2	0	0	0	0	111.1	F885 C898	C881-F885 HydrophobicContact CB-CB 4.02Å; C881-C898 WeakPolarHBondContact CA-SG 3.3Å; C881-C898 HydrophobicContact CB-CB 3.77Å; C881-C898 WeakPolarHBondContact CB-SG 3.25Å; C881-C898 WeakPolarHBondContact SG-CA 3.31Å; C881-C898 WeakPolarHBondContact SG-CB 3.37Å; C881-C898 CovalentContact SG-SG 2.04Å; C881-C898 PolarHBondContact SG-SG 3.26Å
882	G	83.1	Confident	80.1	Confident	41 Å²	41	79 Å²	79	42%	0.423	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-72.7	169.1	176.9	0	0	0	0	0	113.4	G884 F885	G882-G884 PolarHBondContact O-N 3.05Å; G882-F885 PolarHBondContact O-N 2.87Å
883	E	80	Confident	79.2	Confident	203 Å²	203	80.5 Å²	80.5	95%	0.949	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	135.3	177.2	-66.4	-165.5	157.8	0	0	111.7
884	G	78.4	Confident	78.7	Confident	37 Å²	37	83.1 Å²	83.1	38%	0.381	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	-1.9	-173.4	0	0	0	0	0	115.1	G882 R900 Y901	G882-G884 PolarHBondContact O-N 3.05Å; G884-R900 CarbonylContact O-C 3.46Å; G884-R900 WeakPolarHBondContact O-CA 3.5Å; G884-R900 WeakPolarHBondContact O-CG 3.45Å; G884-Y901 VanDerWaalsContact O-CD2 3.31Å; G884-Y901 WeakPolarHBondContact O-CD2 3.48Å; G884-Y901 PolarHBondContact O-N 3.26Å
885	F	82.9	Confident	78.9	Confident	62 Å²	62	78.5 Å²	78.5	27%	0.272	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	151.3	179.2	-63	-107.2	0	0	0	113	H873 C881 G882 C898 R899 R900	H873-F885 AromaticContact NE2-CZ 4Å; C881-F885 HydrophobicContact CB-CB 4.02Å; G882-F885 PolarHBondContact O-N 2.87Å; F885-C898 HydrophobicContact CB-CB 4.26Å; F885-R899 CarbonylContact C-O 3.58Å; F885-R899 WeakPolarHBondContact CA-O 3.32Å; F885-R900 HydrophobicContact CD1-CB 3.89Å; F885-R900 HydrophobicContact CD1-CG 4.43Å; F885-R900 HydrophobicContact CE1-CB 3.72Å; F885-R900 HydrophobicContact CE1-CG 4.15Å; F885-R900 HydrophobicContact CE2-CG 4.34Å; F885-R900 HydrophobicContact CG-CB 4.48Å; F885-R900 HydrophobicContact CZ-CB 4.17Å; F885-R900 HydrophobicContact CZ-CG 4.1Å
886	Y	83.6	Confident	79.7	Confident	67 Å²	67	72.9 Å²	72.9	26%	0.263	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	150.2	175.4	69.8	-91.6	0	0	0	111.6	E888 C898 R899 Y901	Y886-E888 HydrophobicContact CD2-CB 4.33Å; Y886-E888 HydrophobicContact CE2-CB 3.86Å; Y886-E888 HydrophobicContact CE2-CG 4.06Å; Y886-E888 PolarHBondContact OH-OE1 2.84Å; Y886-C898 CarbonylContact O-C 3.48Å; Y886-C898 WeakPolarHBondContact O-CA 3.25Å; Y886-R899 VanDerWaalsContact CD1-O 3.28Å; Y886-R899 WeakPolarHBondContact CD1-O 3.45Å; Y886-R899 HydrophobicContact CE1-CB 4.1Å; Y886-R899 HydrophobicContact CE2-CB 4.31Å; Y886-R899 PolarHBondContact N-O 3.26Å; Y886-R899 PolarHBondContact O-N 3.38Å; Y886-R899 WeakPolarHBondContact OH-CD 3.28Å; Y886-Y901 AromaticContact CD1-CD1 3.73Å; Y886-Y901 HydrophobicContact CD1-CD1 3.73Å; Y886-Y901 AromaticContact CD1-CE1 3.73Å; Y886-Y901 HydrophobicContact CD1-CE1 3.73Å; Y886-Y901 HydrophobicContact CD1-CG 4.29Å; Y886-Y901 HydrophobicContact CE1-CD1 4.35Å; Y886-Y901 HydrophobicContact CG-CE1 4.17Å
887	P	85	Confident	80	Confident	58 Å²	58	71.1 Å²	71.1	38%	0.377	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	124.8	177.9	30.3	-33.1	0	0	0	112	K896	P887-K896 HydrophobicContact CB-CB 4.2Å; P887-K896 HydrophobicContact CB-CD 4.13Å
888	E	84.9	Confident	79.9	Confident	42 Å²	42	71.3 Å²	71.3	20%	0.196	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	146	-177.1	-165.3	173	-117	0	0	110.9	Y886 K896 V897 R899	Y886-E888 HydrophobicContact CD2-CB 4.33Å; Y886-E888 HydrophobicContact CE2-CB 3.86Å; Y886-E888 HydrophobicContact CE2-CG 4.06Å; Y886-E888 PolarHBondContact OH-OE1 2.84Å; E888-K896 CarbonylContact O-C 3.56Å; E888-K896 VanDerWaalsContact O-CA 3.24Å; E888-K896 WeakPolarHBondContact O-CA 3.44Å; E888-K896 WeakPolarHBondContact O-CB 3.27Å; E888-V897 PolarHBondContact N-O 2.83Å; E888-V897 PolarHBondContact O-N 3.23Å; E888-R899 HydrophobicContact CB-CB 4.33Å; E888-R899 IonicContact OE1-CZ 2.73Å; E888-R899 IonicContact OE1-NH1 3.77Å; E888-R899 PolarHBondContact OE1-NH1 2.75Å; E888-R899 WeakPolarHBondContact OE2-CD 3.42Å; E888-R899 IonicContact OE2-CZ 2.74Å; E888-R899 IonicContact OE2-NE 2.68Å; E888-R899 IonicContact OE2-NH1 3.57Å; E888-R899 PolarHBondContact OE2-NH1 2.72Å
889	E	82.4	Confident	79.6	Confident	141 Å²	141	75.6 Å²	75.6	66%	0.659	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	115.3	174.8	-75.2	173.2	-154.7	0	0	109.8	K896	E889-K896 HydrophobicContact CG-CD 4.03Å; E889-K896 HydrophobicContact CG-CG 3.94Å; E889-K896 WeakPolarHBondContact OE1-CE 3.39Å; E889-K896 IonicContact OE1-NZ 3.59Å; E889-K896 PolarHBondContact OE1-NZ 2.99Å
890	M	71.1	Confident	79.4	Confident	90 Å²	90	79.4 Å²	79.4	44%	0.443	44%	0.442	S	S	.	.			trans	-96.4	125.7	179.4	-78.1	-69.7	-69.4	0	0	110.4	G892 L893 V897	M890-G892 PolarHBondContact O-N 3.28Å; M890-L893 HydrophobicContact CB-CB 4.48Å; M890-L893 HydrophobicContact CB-CD1 4.06Å; M890-L893 HydrophobicContact CB-CG 4.47Å; M890-L893 PolarHBondContact O-N 3.02Å; M890-L893 VanDerWaalsContact O-N 3.14Å; M890-V897 HydrophobicContact CB-CG2 4.37Å; M890-V897 HydrophobicContact CG-CB 4.29Å; M890-V897 HydrophobicContact CG-CG2 3.97Å
891	P	60.5	Low	78.8	Confident	131 Å²	131	83.5 Å²	83.5	85%	0.851	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	127	176.8	-26.7	35.2	0	0	0	112.1
892	G	59.7	Low	77.7	Confident	84 Å²	84	85.1 Å²	85.1	87%	0.866	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	-7.8	-179.7	0	0	0	0	0	115.8	M890	M890-G892 PolarHBondContact O-N 3.28Å
893	L	65.3	Low	76	Confident	74 Å²	74	89.3 Å²	89.3	39%	0.387	49%	0.486	S	S	.	.			trans	-102.9	138.6	173.6	-67.8	179.5	0	0	0	111.9	M890 H895 V897	M890-L893 HydrophobicContact CB-CB 4.48Å; M890-L893 HydrophobicContact CB-CD1 4.06Å; M890-L893 HydrophobicContact CB-CG 4.47Å; M890-L893 PolarHBondContact O-N 3.02Å; M890-L893 VanDerWaalsContact O-N 3.14Å; L893-H895 PolarHBondContact O-N 3.41Å; L893-V897 HydrophobicContact CD1-CG2 3.75Å
894	P	72.9	Confident	74.3	Confident	96 Å²	96	86.2 Å²	86.2	62%	0.623	48%	0.483	S	S	*	.	S	Bend	trans	-80.7	8.4	-178.9	32.8	-36.2	0	0	0	114.1	H865	H865-P894 HydrophobicContact CB-CG 4Å
895	H	78.7	Confident	72.3	Confident	19 Å²	19	88.2 Å²	88.2	9%	0.088	50%	0.504	C	S	.	.	S	Bend	trans	-150.7	162.7	-174	59.6	-81.7	0	0	0	110.5	H865 C866 L893	H865-H895 AromaticContact ND1-CE1 3.75Å; C866-H895 HydrophobicContact CB-CB 3.93Å; C866-H895 PolarHBondContact N-ND1 3.35Å; L893-H895 PolarHBondContact O-N 3.41Å
896	K	84.6	Confident	70	Confident	73 Å²	73	89.2 Å²	89.2	32%	0.317	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	150.4	-178.8	-54.4	-163.4	178.9	-150.3	0	111.7	H871 F872 P887 E888 E889	H871-K896 CarbonylContact C-O 3.58Å; H871-K896 VanDerWaalsContact CA-O 3.25Å; H871-K896 WeakPolarHBondContact CA-O 3.3Å; F872-K896 PolarHBondContact N-O 3.19Å; P887-K896 HydrophobicContact CB-CB 4.2Å; P887-K896 HydrophobicContact CB-CD 4.13Å; E888-K896 CarbonylContact O-C 3.56Å; E888-K896 VanDerWaalsContact O-CA 3.24Å; E888-K896 WeakPolarHBondContact O-CA 3.44Å; E888-K896 WeakPolarHBondContact O-CB 3.27Å; E889-K896 HydrophobicContact CG-CD 4.03Å; E889-K896 HydrophobicContact CG-CG 3.94Å; E889-K896 WeakPolarHBondContact OE1-CE 3.39Å; E889-K896 IonicContact OE1-NZ 3.59Å; E889-K896 PolarHBondContact OE1-NZ 2.99Å
897	V	86.8	Confident	67.9	Low	35 Å²	35	95 Å²	95	21%	0.212	56%	0.561	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.3	140.6	176.8	-174.3	0	0	0	0	109	F872 E888 M890 L893 R899	F872-V897 HydrophobicContact CB-CG2 4.42Å; E888-V897 PolarHBondContact N-O 2.83Å; E888-V897 PolarHBondContact O-N 3.23Å; M890-V897 HydrophobicContact CB-CG2 4.37Å; M890-V897 HydrophobicContact CG-CB 4.29Å; M890-V897 HydrophobicContact CG-CG2 3.97Å; L893-V897 HydrophobicContact CD1-CG2 3.75Å; V897-R899 PolarHBondContact O-N 3.16Å
898	C	87	Confident	65.5	Low	12 Å²	12	103.9 Å²	103.9	8%	0.081	59%	0.587	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.5	110	177.6	-67.3	0	0	0	0	111.1	F872 H873 C881 F885 Y886	F872-C898 PolarHBondContact O-N 3.17Å; H873-C898 HydrophobicContact CB-CB 4.07Å; C881-C898 WeakPolarHBondContact CA-SG 3.3Å; C881-C898 HydrophobicContact CB-CB 3.77Å; C881-C898 WeakPolarHBondContact CB-SG 3.25Å; C881-C898 WeakPolarHBondContact SG-CA 3.31Å; C881-C898 WeakPolarHBondContact SG-CB 3.37Å; C881-C898 CovalentContact SG-SG 2.04Å; C881-C898 PolarHBondContact SG-SG 3.26Å; F885-C898 HydrophobicContact CB-CB 4.26Å; Y886-C898 CarbonylContact O-C 3.48Å; Y886-C898 WeakPolarHBondContact O-CA 3.25Å
899	R	82.2	Confident	63	Low	131 Å²	131	111 Å²	111	49%	0.494	62%	0.62	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.4	140.4	179.2	-155.3	-148.5	-165.6	111.6	5.4	111.2	F885 Y886 E888 V897	F885-R899 CarbonylContact C-O 3.58Å; F885-R899 WeakPolarHBondContact CA-O 3.32Å; Y886-R899 VanDerWaalsContact CD1-O 3.28Å; Y886-R899 WeakPolarHBondContact CD1-O 3.45Å; Y886-R899 HydrophobicContact CE1-CB 4.1Å; Y886-R899 HydrophobicContact CE2-CB 4.31Å; Y886-R899 PolarHBondContact N-O 3.26Å; Y886-R899 PolarHBondContact O-N 3.38Å; Y886-R899 WeakPolarHBondContact OH-CD 3.28Å; E888-R899 HydrophobicContact CB-CB 4.33Å; E888-R899 IonicContact OE1-CZ 2.73Å; E888-R899 IonicContact OE1-NH1 3.77Å; E888-R899 PolarHBondContact OE1-NH1 2.75Å; E888-R899 WeakPolarHBondContact OE2-CD 3.42Å; E888-R899 IonicContact OE2-CZ 2.74Å; E888-R899 IonicContact OE2-NE 2.68Å; E888-R899 IonicContact OE2-NH1 3.57Å; E888-R899 PolarHBondContact OE2-NH1 2.72Å; V897-R899 PolarHBondContact O-N 3.16Å
900	R	83.6	Confident	60.7	Low	182 Å²	182	108.7 Å²	108.7	69%	0.687	63%	0.626	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-72.5	141.7	-179.8	-161	178.1	-179.5	176.3	0.9	111.8	G884 F885	G884-R900 CarbonylContact O-C 3.46Å; G884-R900 WeakPolarHBondContact O-CA 3.5Å; G884-R900 WeakPolarHBondContact O-CG 3.45Å; F885-R900 HydrophobicContact CD1-CB 3.89Å; F885-R900 HydrophobicContact CD1-CG 4.43Å; F885-R900 HydrophobicContact CE1-CB 3.72Å; F885-R900 HydrophobicContact CE1-CG 4.15Å; F885-R900 HydrophobicContact CE2-CG 4.34Å; F885-R900 HydrophobicContact CG-CB 4.48Å; F885-R900 HydrophobicContact CZ-CB 4.17Å; F885-R900 HydrophobicContact CZ-CG 4.1Å
901	Y	75.2	Confident	58.7	Low	148 Å²	148	109.4 Å²	109.4	58%	0.58	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-63.5	138.2	169.9	-65.9	-73.9	0	0	0	111.3	G884 Y886	G884-Y901 VanDerWaalsContact O-CD2 3.31Å; G884-Y901 WeakPolarHBondContact O-CD2 3.48Å; G884-Y901 PolarHBondContact O-N 3.26Å; Y886-Y901 AromaticContact CD1-CD1 3.73Å; Y886-Y901 HydrophobicContact CD1-CD1 3.73Å; Y886-Y901 AromaticContact CD1-CE1 3.73Å; Y886-Y901 HydrophobicContact CD1-CE1 3.73Å; Y886-Y901 HydrophobicContact CD1-CG 4.29Å; Y886-Y901 HydrophobicContact CE1-CD1 4.35Å; Y886-Y901 HydrophobicContact CG-CE1 4.17Å
902	G	64.5	Low	57.4	Low	62 Å²	62	109.4 Å²	109.4	64%	0.639	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-81.8	166.9	175	0	0	0	0	0	113.5
903	P	46.3	Very low	55.9	Low	128 Å²	128	111.3 Å²	111.3	83%	0.831	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-67.2	147.1	175.6	29.5	-34.9	0	0	0	111.7
904	P	45.5	Very low	54.2	Low	138 Å²	138	112.8 Å²	112.8	90%	0.896	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-77.7	126.9	-174.2	30.2	-34.7	0	0	0	112.7
905	G	35.5	Very low	52.3	Low	79 Å²	79	118.4 Å²	118.4	81%	0.814	67%	0.674	S	S	*	*			trans	176.1	119.1	170.1	0	0	0	0	0	114.2
906	G	33.8	Very low	49.9	Very low	83 Å²	83	120.9 Å²	120.9	86%	0.856	71%	0.705	S	S	*	*			trans	98.7	102.2	170.7	0	0	0	0	0	114.8
907	E	40.7	Very low	47.5	Very low	188 Å²	188	124.1 Å²	124.1	88%	0.879	73%	0.731	S	S	*	*			trans	-69.3	143.9	174.2	-59.4	176.8	116.2	0	0	112.2
908	R	34.8	Very low	45.3	Very low	246 Å²	246	128 Å²	128	93%	0.928	76%	0.757	S	S	*	*			trans	-136.2	123.7	151.7	-72.3	-166	177.7	-159.6	-0.1	109.5
909	Q	32.8	Very low	42.6	Very low	190 Å²	190	131.5 Å²	131.5	89%	0.888	79%	0.794	S	S	*	*			trans	-69.4	138.6	-179.2	-66.5	170.7	-11.5	0	0	110.9
910	A	33.3	Very low	40	Very low	94 Å²	94	128.7 Å²	128.7	78%	0.777	81%	0.806	S	S	*	*			trans	-82.5	120.2	176	0	0	0	0	0	111
911	A	29.7	Very low	37.5	Very low	105 Å²	105	129.9 Å²	129.9	87%	0.868	82%	0.82	S	S	*	*			trans	-92.1	100.2	170.9	0	0	0	0	0	110.1
912	V	32.2	Very low	35.2	Very low	131 Å²	131	127.8 Å²	127.8	79%	0.794	83%	0.827	S	S	*	*			trans	-90.4	118.6	174.8	179.9	0	0	0	0	109.7
913	S	28.3	Very low	33.6	Very low	124 Å²	124	133 Å²	133	87%	0.867	84%	0.839	S	S	*	*			trans	-119.2	105.7	171.8	-177	0	0	0	0	109.5
914	S	30.9	Very low	32.8	Very low	104 Å²	104	131.4 Å²	131.4	73%	0.727	84%	0.836	S	S	*	*			trans	-108.7	122.2	-174.9	56.5	0	0	0	0	112.5
915	K	31.1	Very low	32	Very low	214 Å²	214	129 Å²	129	93%	0.93	83%	0.828	S	S	*	*			trans	-141.1	124.6	160.2	-77.4	-169.1	173.7	-178	0	109.1
916	G	30	Very low	31.6	Very low	71 Å²	71	130.3 Å²	130.3	73%	0.732	83%	0.825	S	S	*	*			trans	-148.2	3	-165.5	0	0	0	0	0	118.3
917	V	33.1	Very low	31.4	Very low	142 Å²	142	132 Å²	132	86%	0.861	82%	0.823	S	S	*	*			trans	63.6	-173.3	167.6	-126.6	0	0	0	0	114.3
918	P	41.1	Very low	31.9	Very low	117 Å²	117	129 Å²	129	76%	0.76	82%	0.821	S	S	*	*				-129.7	157.2	-124.4	42.7	-24.6	0	0	0	118.3
919	G	29.3	Very low	31.6	Very low	84 Å²	84	121 Å²	121	87%	0.866	82%	0.815	S	S	*	*			trans	77.7	135	151.7	0	0	0	0	0	117.4
920	G	28.8	Very low	31.7	Very low	73 Å²	73	117.2 Å²	117.2	75%	0.753	82%	0.816	S	S	*	*			cis	151.3	131.9	-12.4	0	0	0	0	0	113.3
921	Q	30	Very low	31.5	Very low	207 Å²	207	116.1 Å²	116.1	97%	0.967	81%	0.814	S	S	*	*			trans	-160.2	159.6	153.2	-112.4	170.7	39.5	0	0	111.2
922	S	28.4	Very low	31.7	Very low	104 Å²	104	121.1 Å²	121.1	73%	0.727	82%	0.819	S	S	*	*			trans	-74.4	146	-161.8	-168.7	0	0	0	0	115.3
923	L	29.3	Very low	31.7	Very low	170 Å²	170	118.1 Å²	118.1	89%	0.89	82%	0.815	S	S	*	*				-171.6	167.6	105.5	-91.9	164.5	0	0	0	112.2
924	A	29.5	Very low	32	Very low	95 Å²	95	121 Å²	121	79%	0.785	82%	0.817	S	S	*	*			trans	-87.2	174.5	-165	0	0	0	0	0	114.2
925	A	28.7	Very low	32.1	Very low	87 Å²	87	122.4 Å²	122.4	72%	0.719	82%	0.816	S	S	*	*			cis	-164	168.5	24.5	0	0	0	0	0	116.2
926	S	27.8	Very low	32.1	Very low	108 Å²	108	119.9 Å²	119.9	76%	0.755	81%	0.807	S	S	*	*			trans	55.6	99.2	147.5	57.9	0	0	0	0	124.5
927	S	29.5	Very low	31.9	Very low	117 Å²	117	124.7 Å²	124.7	82%	0.818	81%	0.81	S	S	*	*				25.8	163.9	111.2	-54.1	0	0	0	0	123.9
928	P	51.3	Low	32.8	Very low	126 Å²	126	122.8 Å²	122.8	82%	0.818	80%	0.8	S	S	*	*			cis	-150	174.2	-35.3	41.8	-23.3	0	0	0	118.6
929	G	28.6	Very low	32.3	Very low	79 Å²	79	123.3 Å²	123.3	81%	0.814	80%	0.802	S	S	*	*			trans	98.7	166.7	146.5	0	0	0	0	0	120.4
930	A	34	Very low	32.3	Very low	110 Å²	110	125.1 Å²	125.1	91%	0.909	80%	0.796	S	S	*	*			cis	-174.2	161	-24.7	0	0	0	0	0	112.9
931	G	29.7	Very low	32.3	Very low	71 Å²	71	127.1 Å²	127.1	73%	0.732	79%	0.789	S	S	*	*			trans	103.1	129.6	171.7	0	0	0	0	0	115.8
932	E	34.1	Very low	32.3	Very low	209 Å²	209	127 Å²	127	98%	0.977	78%	0.78	S	S	*	*			cis	84.8	135.8	46.1	-69.2	-168.4	137.9	0	0	115.2
933	G	32.8	Very low	32.3	Very low	69 Å²	69	126 Å²	126	71%	0.711	77%	0.772	S	S	*	*			cis	171.6	167.7	-8.3	0	0	0	0	0	114.6
934	M	33.1	Very low	33.3	Very low	183 Å²	183	123.9 Å²	123.9	90%	0.901	77%	0.769	S	S	*	*			trans	67	159.3	167.6	-62.3	-170.6	175.2	0	0	119
935	L	33.8	Very low	33.2	Very low	134 Å²	134	128 Å²	128	70%	0.702	77%	0.77	S	S	*	*			cis	-164.1	-173.2	-18.8	-101.1	171.9	0	0	0	107.1
936	H	30.5	Very low	33.3	Very low	162 Å²	162	129 Å²	129	75%	0.75	77%	0.767	S	S	*	*			cis	-150.3	-126.8	8.9	-148	-26.8	0	0	0	114.6
937	H	27.4	Very low	33.4	Very low	171 Å²	171	131.9 Å²	131.9	79%	0.792	77%	0.768	S	S	*	*			trans	-157.1	-173.5	-172	-111.9	-36.1	0	0	0	111
938	P	50.8	Low	33.2	Very low	102 Å²	102	132.6 Å²	132.6	66%	0.662	76%	0.763	S	S	*	*			cis	-154.4	158.2	28.6	44.3	-22	0	0	0	122.6
939	T	31.2	Very low	32	Very low	128 Å²	128	133.3 Å²	133.3	79%	0.785	76%	0.759	S	S	*	*			trans	57.4	159.8	142	60.1	0	0	0	0	122.8
940	V	28.8	Very low	32	Very low	123 Å²	123	140.8 Å²	140.8	75%	0.745	76%	0.762	S	S	*	*			cis	-147.6	124.5	27.3	173.5	0	0	0	0	110
941	D	29.5	Very low	31.5	Very low	114 Å²	114	139.1 Å²	139.1	61%	0.61	76%	0.756	S	S	*	*				60.4	136.4	95.6	-144.1	18.8	0	0	0	115.4
942	R	30.3	Very low	31.3	Very low	206 Å²	206	143.5 Å²	143.5	78%	0.777	76%	0.761	S	S	*	*			cis	-141.6	176.1	26.3	-78	-179.3	179.3	-124.9	-30.6	112.3
943	S	28.3	Very low	31	Very low	81 Å²	81	142.6 Å²	142.6	57%	0.566	75%	0.749	S	S	*	*			cis	75.2	131.8	36.8	153.4	0	0	0	0	114.5
944	P	49.4	Very low	31.2	Very low	126 Å²	126	145.2 Å²	145.2	82%	0.818	75%	0.754	S	S	*	*				-139.4	-175.8	55.8	35.9	-14.9	0	0	0	117.1
945	F	28.5	Very low	30.9	Very low	182 Å²	182	144.5 Å²	144.5	80%	0.798	75%	0.746	S	S	*	*			cis	-159.4	-163.1	-45.7	-143.6	-109.1	0	0	0	111
946	T	30.2	Very low	30.5	Very low	109 Å²	109	143.9 Å²	143.9	67%	0.669	75%	0.747	S	S	*	*			trans	-144.7	156.8	-134.5	-37.4	0	0	0	0	116.6
947	E	30.1	Very low	30.5	Very low	167 Å²	167	143.5 Å²	143.5	78%	0.78	75%	0.745	S	S	*	*			trans	-170.4	165.7	148.2	-111.3	-155.1	-172.7	0	0	110.6
948	L	25.6	Very low	30.4	Very low	133 Å²	133	144.7 Å²	144.7	70%	0.696	74%	0.743	S	S	*	*			cis	-141.9	-124.1	-14.6	-168.2	60.1	0	0	0	110.9
949	L	26.5	Very low	29.1	Very low	141 Å²	141	145.5 Å²	145.5	74%	0.738	74%	0.739	S	S	*	*			trans	-157.3	153.5	-158.8	-90.7	174.3	0	0	0	119.1
950	R	27	Very low	28.9	Very low	236 Å²	236	145.7 Å²	145.7	89%	0.891	73%	0.731	S	S	*	*			trans	77.4	130.5	150	-73.2	166.2	177.9	179	-0.1	123
951	G	23.3	Very low	28.9	Very low	75 Å²	75	146.6 Å²	146.6	77%	0.773	73%	0.731	S	S	*	*			trans	155.8	92.5	141.1	0	0	0	0	0	122.6
952	L	25.7	Very low	28.5	Very low	162 Å²	162	147.4 Å²	147.4	85%	0.848	74%	0.743	S	S	*	*			trans	62.4	115.4	143.1	-64.9	167.9	0	0	0	125.8
953	R	29.1	Very low	28.3	Very low	191 Å²	191	149 Å²	149	72%	0.721	75%	0.75	S	S	*	*				49.2	143.8	128.9	-67.1	-171.8	-177.6	-124.5	3.8	122.5	F955	R953-F955 VanDerWaalsContact NH1-CE2 3.34Å
954	P	37.2	Very low	28.2	Very low	124 Å²	124	150.5 Å²	150.5	81%	0.805	76%	0.755	S	S	*	*				-115.9	175.7	66.3	6.2	16.2	0	0	0	113.7
955	F	25	Very low	27.5	Very low	168 Å²	168	150.3 Å²	150.3	74%	0.737	75%	0.754	S	S	*	*			cis	91.1	146.4	27.2	-101.4	-69.6	0	0	0	117.1	R953	R953-F955 VanDerWaalsContact NH1-CE2 3.34Å
956	V	26.8	Very low	27.4	Very low	121 Å²	121	146 Å²	146	73%	0.733	75%	0.752	S	S	*	*			trans	-145.5	161.6	-147	-166.8	0	0	0	0	113.4
957	H	29.4	Very low	27.4	Very low	153 Å²	153	148.2 Å²	148.2	71%	0.708	77%	0.765	S	S	*	*			trans	110	148	172	-72.3	33.6	0	0	0	113.5
958	W	25	Very low	27.2	Very low	197 Å²	197	143.9 Å²	143.9	75%	0.746	77%	0.765	S	S	*	*			cis	-167.2	176.6	-5.1	-116.7	26.1	0	0	0	107.8
959	M	24.3	Very low	27.5	Very low	118 Å²	118	148.9 Å²	148.9	58%	0.581	78%	0.775	S	S	*	*			cis	-177.6	165.9	-35.1	-178.9	161	161.9	0	0	108.9
960	H	26.8	Very low	27.6	Very low	132 Å²	132	151.2 Å²	151.2	61%	0.611	78%	0.781	S	S	*	*			trans	75.3	137.5	-178.6	-60.2	-82.6	0	0	0	116
961	I	28.2	Very low	27.8	Very low	143 Å²	143	150.8 Å²	150.8	73%	0.733	78%	0.779	S	S	*	*			cis	84.2	114.3	30.2	-57.2	167.3	0	0	0	114.1
962	C	23	Very low	28.3	Very low	130 Å²	130	151.9 Å²	151.9	88%	0.878	78%	0.781	S	S	*	*			trans	-140.1	153.3	159.5	-84.2	0	0	0	0	110
963	W	24.3	Very low	28.4	Very low	240 Å²	240	148.6 Å²	148.6	91%	0.909	78%	0.777	S	S	*	*			trans	-134.4	176.8	176.5	-144.4	61.4	0	0	0	111.2
964	V	26.1	Very low	28.5	Very low	113 Å²	113	144.8 Å²	144.8	69%	0.685	79%	0.787	S	S	*	*			trans	-58.4	137	-168.2	-176.9	0	0	0	0	114.1
965	P	34.9	Very low	28.3	Very low	122 Å²	122	146.1 Å²	146.1	79%	0.792	82%	0.823	S	S	*	*			trans	-98.9	144.5	168.1	36.3	-31.3	0	0	0	113.3
966	A	26.2	Very low	28.5	Very low	92 Å²	92	145 Å²	145	76%	0.76	83%	0.827	S	S	*	*			trans	-144.8	115.9	169	0	0	0	0	0	113.2
967	V	30.5	Very low	28.6	Very low	155 Å²	155	146.3 Å²	146.3	94%	0.939	83%	0.832	S	S	*	*			trans	42.7	116.1	151.1	-168.6	0	0	0	0	120.1
968	G	27.2	Very low	28.5	Very low	75 Å²	75	145.9 Å²	145.9	77%	0.773	84%	0.839	S	S	*	*			trans	-176.6	113.8	158.1	0	0	0	0	0	112.8
969	R	30.8	Very low	28.7	Very low	239 Å²	239	142.9 Å²	142.9	90%	0.902	85%	0.845	S	S	*	*			trans	-95.8	146	179.9	-72.2	178.5	172.4	173.4	-2.6	111.8
970	H	28.8	Very low	29	Very low	189 Å²	189	144.4 Å²	144.4	88%	0.875	86%	0.861	S	S	*	*			trans	-148.7	-175.7	135.3	-113	-79.4	0	0	0	111.4
971	R	31.2	Very low	29.2	Very low	227 Å²	227	145.3 Å²	145.3	86%	0.857	88%	0.878	S	S	*	*			trans	-97.9	152.1	-154.6	-70.3	175.2	167.3	167.3	-6.1	115.4
972	A	33	Very low	29.3	Very low	98 Å²	98	145.4 Å²	145.4	81%	0.81	89%	0.888	S	S	*	*			trans	21.9	150.7	136.8	0	0	0	0	0	120.5
973	A	29.8	Very low	29.7	Very low	93 Å²	93	146.6 Å²	146.6	77%	0.769	89%	0.889	S	S	*	*			cis	-165.3	179.4	36.1	0	0	0	0	0	113.9
974	A	29.9	Very low	30.2	Very low	111 Å²	111	138.8 Å²	138.8	92%	0.917	89%	0.887	S	S	*	*			trans	68.7	142.1	166.8	0	0	0	0	0	117.7
975	G	34	Very low	30.6	Very low	152 Å²	152	141.2 Å²	141.2	100%	1.567	91%	0.906	S	S	*	*			trans	139.9	0	-173.2	0	0	0	0	0	110.5

Retrieved 975 of 975 residues in 440.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).