A0A3Q0KMX7_SCHMA Loading...

Disulfide oxidoreductase, putative

AlphaFold DB , UniProt , Accession A0A3Q0KMX7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 857 aa.

						>A0A3Q0KMX7_SCHMA|A0A3Q0KMX7
MINLMLGQKASSYLRSCFISNTVLCTKTRSAIICTSHRHYYIPTSVKLKYELHHLKDTLLFRQSRYLSNRLSKESGSSSGGNSSFFSDTFISIAITGAFLGSCLAFRWYVNRLRDYSITEKKNPEKSGLEPEVSSASNALEIPVTHGSESVLNTSPIQHETRNSSDHSPVIVEQQQLDTSDSVDSQVTESFTDSVKEVTNSDFHDEIPESLVYIKPEDEIFPSHVPYIIVGAGAAGMSAARSIRASDPTSRILLISGGRESSTIAEPGIEETSFVEPPPYLRPPLSKELWNRSLDKEKKLLRSDGDIRRHSWLYYEPDSFFLKPETLSSVQYGGVALMRGDPVVRLDPDKRTIFLASGRQITYDRCLLATGGSPRRYKHLETCSRTGINLTDTGHVSYFRNIADYRHLRDLADKLRRASGGRIAVIGGGFLGSELSVSLLKQPKSTDSKNDNPDSKTQSKLTIMHAFRETVPMGSVLPPCLASAVGRFESSKGIELWSSSDVVSLSLIPNTNVDTSTHATTTTTTIVNESQKLLPSENGIASTNTGRVRLRIRRTISGIERVEEIDVDHVVFAIGIEPNTELSSDASLEVDPNNGGFLANAELEARQGVFVAGDAASYWDPVVGCRRRVEHLNFAEEAGSLAGKNMVASLFGNNKSSTGMSSSHYQHQSSIWSTLGQEISWDAVGLIDSRLLLTRAFFASSATTGDDDNDIEHKSSKEKNSTARSFSHIPDSSIGRLTKGVVFYLTPKDKRLVGILLWNMPDEIYTDTNYPAPSRLNLARSLLAQKLIIDLDNSTENNLENPKSNNLRQIASQFDLYGEIAEDYAHLQEYIRRKKLDEDNNNNDNSTFSSVDNKPDK
					

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	36.1	Very low	39.3	Very low	176 Å²	176	131.7 Å²	131.7	87%	0.867	70%	0.7	S	S	*	*				0	-55.3	0	-92.6	-170.4	80.2	0	0	113.5	N3 L4 M5	M1-N3 VanDerWaalsContact C-N 3.35Å; M1-N3 PolarHBondContact O-N 3.35Å; M1-L4 CarbonylContact O-C 3.56Å; M1-L4 WeakPolarHBondContact O-CA 3.18Å; M1-L4 WeakPolarHBondContact O-CB 3.5Å; M1-L4 PolarHBondContact O-N 3.41Å; M1-M5 HydrophobicContact CE-CE 4.02Å; M1-M5 WeakPolarHBondContact O-CG 3.43Å; M1-M5 PolarHBondContact O-N 3.09Å
2	I	32.8	Very low	39.8	Very low	128 Å²	128	128.8 Å²	128.8	66%	0.656	70%	0.698	S	S	*	*	H	α-helix	trans	-59.1	-43	-177.5	-63.4	172.9	0	0	0	112.2	L4 M5 L6	I2-L4 VanDerWaalsContact C-N 3.26Å; I2-L4 PolarHBondContact O-N 3.47Å; I2-M5 PolarHBondContact O-N 3.36Å; I2-L6 HydrophobicContact CG2-CD1 3.69Å; I2-L6 PolarHBondContact O-N 3.22Å; I2-L6 VanDerWaalsContact O-N 3.07Å
3	N	30.8	Very low	39.8	Very low	139 Å²	139	132.2 Å²	132.2	74%	0.743	70%	0.696	S	S	*	*	H	α-helix	trans	-64.4	-26.7	172.4	-78.6	-24.3	0	0	0	114	M1	M1-N3 VanDerWaalsContact C-N 3.35Å; M1-N3 PolarHBondContact O-N 3.35Å
4	L	46.2	Very low	39.4	Very low	163 Å²	163	129.3 Å²	129.3	85%	0.853	68%	0.681	S	S	*	*	H	α-helix	trans	-80.9	-32	176.8	-149.9	111.7	0	0	0	111.1	M1 I2	M1-L4 CarbonylContact O-C 3.56Å; M1-L4 WeakPolarHBondContact O-CA 3.18Å; M1-L4 WeakPolarHBondContact O-CB 3.5Å; M1-L4 PolarHBondContact O-N 3.41Å; I2-L4 VanDerWaalsContact C-N 3.26Å; I2-L4 PolarHBondContact O-N 3.47Å
5	M	42.9	Very low	39	Very low	142 Å²	142	132.5 Å²	132.5	70%	0.7	68%	0.68	S	S	*	*	H	α-helix	trans	-79.5	-30.5	-178.2	-79.9	-75.9	-172.9	0	0	113.4	M1 I2	M1-M5 HydrophobicContact CE-CE 4.02Å; M1-M5 WeakPolarHBondContact O-CG 3.43Å; M1-M5 PolarHBondContact O-N 3.09Å; I2-M5 PolarHBondContact O-N 3.36Å
6	L	43.1	Very low	39.1	Very low	106 Å²	106	129.4 Å²	129.4	56%	0.555	67%	0.674	S	S	*	*	S	Bend	trans	-101.7	-5.8	-168.1	-72.1	170.2	0	0	0	115.2	I2 A10	I2-L6 HydrophobicContact CG2-CD1 3.69Å; I2-L6 PolarHBondContact O-N 3.22Å; I2-L6 VanDerWaalsContact O-N 3.07Å; L6-A10 HydrophobicContact CB-CB 4.12Å
7	G	37	Very low	39	Very low	46 Å²	46	125 Å²	125	47%	0.474	66%	0.656	S	S	.	*			trans	61.8	154.7	179.2	0	0	0	0	0	112.9	K9 A10	G7-K9 PolarHBondContact O-N 3.47Å; G7-A10 PolarHBondContact O-N 2.82Å
8	Q	44.1	Very low	38.6	Very low	211 Å²	211	127.3 Å²	127.3	99%	0.986	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	2.1	-175.3	-81.4	-174.8	-19.4	0	0	115.4
9	K	38.7	Very low	38.7	Very low	211 Å²	211	128.1 Å²	128.1	92%	0.917	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-0.3	177.5	-79.1	-174.1	175.5	-179.1	0	115.2	G7 S11	G7-K9 PolarHBondContact O-N 3.47Å; K9-S11 PolarHBondContact O-N 3.25Å
10	A	41.4	Very low	38.5	Very low	45 Å²	45	126 Å²	126	37%	0.372	66%	0.66	S	S	.	*	S	Bend	trans	-73.5	96	173	0	0	0	0	0	110.7	L6 G7	L6-A10 HydrophobicContact CB-CB 4.12Å; G7-A10 PolarHBondContact O-N 2.82Å
11	S	39.7	Very low	38.2	Very low	82 Å²	82	126.1 Å²	126.1	57%	0.573	66%	0.662	S	S	*	*			trans	-38.1	143	179.1	173.4	0	0	0	0	115.1	K9 Y13 L14	K9-S11 PolarHBondContact O-N 3.25Å; S11-Y13 PolarHBondContact O-N 3.12Å; S11-L14 PolarHBondContact O-N 2.93Å; S11-L14 VanDerWaalsContact O-N 3.09Å
12	S	45.3	Very low	38	Very low	97 Å²	97	123.7 Å²	123.7	68%	0.678	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-41.8	-27.9	176.2	126.4	0	0	0	0	114.4	L14 R15 S16	S12-L14 VanDerWaalsContact C-N 3.31Å; S12-L14 PolarHBondContact O-N 3.29Å; S12-R15 PolarHBondContact O-N 3.26Å; S12-R15 VanDerWaalsContact O-N 3.09Å; S12-S16 PolarHBondContact O-N 2.75Å
13	Y	39.5	Very low	38	Very low	173 Å²	173	123.3 Å²	123.3	68%	0.678	66%	0.66	S	S	*	*	H	α-helix	trans	-53.9	-41	177.9	-164.7	-101.5	0	0	0	113.8	S11 R15 S16 C17	S11-Y13 PolarHBondContact O-N 3.12Å; Y13-R15 PolarHBondContact O-N 3.13Å; Y13-S16 WeakPolarHBondContact O-CB 3.32Å; Y13-S16 PolarHBondContact O-N 2.98Å; Y13-C17 PolarHBondContact O-N 3.1Å
14	L	34.7	Very low	37.9	Very low	91 Å²	91	124.6 Å²	124.6	48%	0.476	67%	0.666	S	S	.	*	H	α-helix	trans	-73	-27.7	-179.9	-77.9	167.1	0	0	0	113.1	S11 S12 S16 F18	S11-L14 PolarHBondContact O-N 2.93Å; S11-L14 VanDerWaalsContact O-N 3.09Å; S12-L14 VanDerWaalsContact C-N 3.31Å; S12-L14 PolarHBondContact O-N 3.29Å; L14-S16 VanDerWaalsContact C-N 3.33Å; L14-F18 PolarHBondContact O-N 3.02Å
15	R	32.4	Very low	36.9	Very low	178 Å²	178	122.1 Å²	122.1	67%	0.672	66%	0.662	S	S	*	*	H	α-helix	trans	-67.1	-37.1	174.3	-72.1	-173.6	-175.7	-171.1	1.9	111.4	S12 Y13 I19	S12-R15 PolarHBondContact O-N 3.26Å; S12-R15 VanDerWaalsContact O-N 3.09Å; Y13-R15 PolarHBondContact O-N 3.13Å; R15-I19 WeakPolarHBondContact O-CG1 3.32Å; R15-I19 PolarHBondContact O-N 2.97Å
16	S	41.4	Very low	36.4	Very low	83 Å²	83	119.4 Å²	119.4	58%	0.58	65%	0.653	S	S	*	*	H	α-helix	trans	-63	-47.4	176.8	177.1	0	0	0	0	111.7	S12 Y13 L14 F18 I19 S20	S12-S16 PolarHBondContact O-N 2.75Å; Y13-S16 WeakPolarHBondContact O-CB 3.32Å; Y13-S16 PolarHBondContact O-N 2.98Å; L14-S16 VanDerWaalsContact C-N 3.33Å; S16-F18 VanDerWaalsContact C-N 3.29Å; S16-F18 PolarHBondContact O-N 3.38Å; S16-I19 PolarHBondContact O-N 2.78Å; S16-S20 PolarHBondContact O-N 2.79Å
17	C	36.4	Very low	36.1	Very low	54 Å²	54	125 Å²	125	37%	0.365	67%	0.673	S	S	.	*	H	α-helix	trans	-64.9	-29.8	-177.4	-64.5	0	0	0	0	113.9	Y13	Y13-C17 PolarHBondContact O-N 3.1Å
18	F	32.9	Very low	36	Very low	167 Å²	167	129 Å²	129	73%	0.732	69%	0.689	S	S	*	*	H	α-helix	trans	-82.9	-32.1	-178.8	-94.5	-79.8	0	0	0	113.8	L14 S16	L14-F18 PolarHBondContact O-N 3.02Å; S16-F18 VanDerWaalsContact C-N 3.29Å; S16-F18 PolarHBondContact O-N 3.38Å
19	I	39.3	Very low	35.3	Very low	142 Å²	142	129.1 Å²	129.1	73%	0.728	68%	0.68	S	S	*	*	H	α-helix	trans	-75.6	-27.7	-178.4	-64.4	172	0	0	0	111.4	R15 S16	R15-I19 WeakPolarHBondContact O-CG1 3.32Å; R15-I19 PolarHBondContact O-N 2.97Å; S16-I19 PolarHBondContact O-N 2.78Å
20	S	36.2	Very low	34.9	Very low	86 Å²	86	121 Å²	121	60%	0.601	65%	0.65	S	S	*	*	S	Bend	trans	-84.1	-10.1	-174.7	91.2	0	0	0	0	115.7	S16	S16-S20 PolarHBondContact O-N 2.79Å
21	N	31.2	Very low	34.5	Very low	129 Å²	129	122.7 Å²	122.7	69%	0.69	66%	0.663	S	S	*	*			trans	-110.1	65.1	-175.1	-75	-34.3	0	0	0	111.6	V23	N21-V23 PolarHBondContact O-N 3.11Å; N21-V23 VanDerWaalsContact O-N 3.09Å
22	T	33	Very low	34.1	Very low	125 Å²	125	124.5 Å²	124.5	77%	0.767	67%	0.665	S	S	*	*			trans	-64.6	105.7	169.3	-8.1	0	0	0	0	110.3	L24	T22-L24 PolarHBondContact O-N 2.79Å
23	V	32.2	Very low	33.4	Very low	119 Å²	119	125.3 Å²	125.3	72%	0.721	66%	0.661	S	S	*	*			trans	-19.2	107.7	163.5	-178	0	0	0	0	114.9	N21 C25	N21-V23 PolarHBondContact O-N 3.11Å; N21-V23 VanDerWaalsContact O-N 3.09Å; V23-C25 HydrophobicContact CG1-CB 4.27Å; V23-C25 WeakPolarHBondContact CG1-SG 3.46Å; V23-C25 PolarHBondContact O-N 2.85Å
24	L	29.2	Very low	32.9	Very low	166 Å²	166	121.3 Å²	121.3	87%	0.869	66%	0.657	S	S	*	*			trans	-86.3	89.7	161.6	-109	115.8	0	0	0	109.2	T22	T22-L24 PolarHBondContact O-N 2.79Å
25	C	25.3	Very low	32.9	Very low	112 Å²	112	120.5 Å²	120.5	76%	0.757	66%	0.656	S	S	*	*			trans	-85.2	115	168.6	-88.1	0	0	0	0	109.9	V23	V23-C25 HydrophobicContact CG1-CB 4.27Å; V23-C25 WeakPolarHBondContact CG1-SG 3.46Å; V23-C25 PolarHBondContact O-N 2.85Å
26	T	30.6	Very low	33.1	Very low	85 Å²	85	117.4 Å²	117.4	52%	0.521	66%	0.662	S	S	.	*			trans	-126	133.2	160.1	57.2	0	0	0	0	109.4	T28 R29	T26-T28 PolarHBondContact O-N 3.12Å; T26-R29 PolarHBondContact O-N 3.18Å
27	K	38.7	Very low	32.7	Very low	222 Å²	222	121.5 Å²	121.5	97%	0.965	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	-0.9	-166.1	-81.9	-177.1	173.6	179.1	0	117.4
28	T	33.5	Very low	32.4	Very low	132 Å²	132	126.3 Å²	126.3	81%	0.81	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.1	7.4	-174.2	51.2	0	0	0	0	115	T26	T26-T28 PolarHBondContact O-N 3.12Å
29	R	29.2	Very low	32.3	Very low	213 Å²	213	125.9 Å²	125.9	80%	0.804	68%	0.682	S	S	*	*	S	Bend	trans	-131.4	138.7	177.9	-72	-173	175.8	178.2	-0.8	112.9	T26	T26-R29 PolarHBondContact O-N 3.18Å
30	S	30.8	Very low	31.9	Very low	41 Å²	41	123.6 Å²	123.6	29%	0.287	67%	0.665	S	S	.	*	P	Polyproline II helix	trans	-56.3	136.2	175.9	-45.8	0	0	0	0	111	I32 T44	S30-I32 PolarHBondContact O-N 3Å; S30-T44 WeakPolarHBondContact OG-CG2 3.46Å; S30-T44 PolarHBondContact OG-OG1 3.38Å
31	A	32.3	Very low	31.5	Very low	79 Å²	79	128 Å²	128	65%	0.653	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-67.9	117.7	177.6	0	0	0	0	0	110.2
32	I	32.2	Very low	31.4	Very low	120 Å²	120	127.2 Å²	127.2	62%	0.615	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-95.4	118.6	174.2	-58.7	171.5	0	0	0	107.2	S30	S30-I32 PolarHBondContact O-N 3Å
33	I	31.2	Very low	31.3	Very low	114 Å²	114	125.1 Å²	125.1	59%	0.585	65%	0.652	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.9	103.5	169.5	-59	175.6	0	0	0	107.2
34	C	28.2	Very low	31.5	Very low	89 Å²	89	124.7 Å²	124.7	60%	0.601	65%	0.65	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.7	122.9	172.9	-75.7	0	0	0	0	110.2
35	T	34.6	Very low	31.6	Very low	75 Å²	75	121.6 Å²	121.6	46%	0.46	64%	0.643	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.6	152.1	159	63.4	0	0	0	0	108.2	H37 R38	T35-H37 PolarHBondContact O-N 3.19Å; T35-R38 PolarHBondContact N-O 3.33Å; T35-R38 PolarHBondContact O-N 2.97Å; T35-R38 PolarHBondContact OG1-O 3.29Å
36	S	36	Very low	31.9	Very low	112 Å²	112	121.6 Å²	121.6	78%	0.783	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-11.7	-168.8	58.5	0	0	0	0	115.6
37	H	32.9	Very low	31.7	Very low	169 Å²	169	127.1 Å²	127.1	78%	0.782	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.1	-2	179.1	-64.2	-48.7	0	0	0	115.6	T35	T35-H37 PolarHBondContact O-N 3.19Å
38	R	31	Very low	31.2	Very low	155 Å²	155	121.9 Å²	121.9	59%	0.585	64%	0.638	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-153.2	135.5	176.8	-66.8	-170.6	178.2	167.9	-0.4	112.5	T35 Y40	T35-R38 PolarHBondContact N-O 3.33Å; T35-R38 PolarHBondContact O-N 2.97Å; T35-R38 PolarHBondContact OG1-O 3.29Å; R38-Y40 HydrophobicContact CB-CD2 4.47Å; R38-Y40 HydrophobicContact CB-CE2 3.74Å; R38-Y40 WeakPolarHBondContact CD-OH 3.33Å
39	H	31.6	Very low	30.8	Very low	159 Å²	159	125 Å²	125	74%	0.736	64%	0.64	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.7	127.4	170.7	-61.7	87.8	0	0	0	108.8
40	Y	30.9	Very low	30.8	Very low	94 Å²	94	123.1 Å²	123.1	37%	0.369	63%	0.634	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.8	121.2	175.2	-63.5	-80.4	0	0	0	109.9	R38	R38-Y40 HydrophobicContact CB-CD2 4.47Å; R38-Y40 HydrophobicContact CB-CE2 3.74Å; R38-Y40 WeakPolarHBondContact CD-OH 3.33Å
41	Y	27.4	Very low	30.6	Very low	177 Å²	177	130.1 Å²	130.1	69%	0.694	66%	0.662	S	S	*	*			trans	-99.5	119.5	173.9	-170.9	-95.2	0	0	0	108.4	P43	Y41-P43 HydrophobicContact CD1-CB 4.42Å; Y41-P43 HydrophobicContact CD1-CG 4.13Å; Y41-P43 HydrophobicContact CE1-CB 4.11Å; Y41-P43 HydrophobicContact CE1-CG 4.31Å
42	I	28.6	Very low	30.3	Very low	114 Å²	114	133.2 Å²	133.2	59%	0.585	67%	0.667	S	S	*	*			trans	-97.6	111.4	169	-57.9	177.2	0	0	0	106.9	T44	I42-T44 PolarHBondContact O-N 2.95Å
43	P	30.9	Very low	30.1	Very low	80 Å²	80	135.8 Å²	135.8	52%	0.519	68%	0.676	S	S	.	*			trans	-67.1	130.9	-178.6	-12.4	26.1	0	0	0	110.7	Y41 S45	Y41-P43 HydrophobicContact CD1-CB 4.42Å; Y41-P43 HydrophobicContact CD1-CG 4.13Å; Y41-P43 HydrophobicContact CE1-CB 4.11Å; Y41-P43 HydrophobicContact CE1-CG 4.31Å; P43-S45 PolarHBondContact O-N 2.93Å
44	T	36.8	Very low	30	Very low	110 Å²	110	138.7 Å²	138.7	68%	0.675	69%	0.687	S	S	*	*	S	Bend	trans	-81.7	5.8	175.3	27	0	0	0	0	113.8	S30 I42 V46	S30-T44 WeakPolarHBondContact OG-CG2 3.46Å; S30-T44 PolarHBondContact OG-OG1 3.38Å; I42-T44 PolarHBondContact O-N 2.95Å; T44-V46 PolarHBondContact O-N 3.34Å
45	S	31.3	Very low	29.9	Very low	102 Å²	102	142.3 Å²	142.3	71%	0.713	70%	0.699	S	S	*	*			trans	-102.2	61.5	-179.7	64.1	0	0	0	0	112.6	P43	P43-S45 PolarHBondContact O-N 2.93Å
46	V	30.4	Very low	29.7	Very low	111 Å²	111	147.7 Å²	147.7	67%	0.673	72%	0.717	S	S	*	*			trans	-115.5	83.5	148	-175.2	0	0	0	0	105.7	T44 L48	T44-V46 PolarHBondContact O-N 3.34Å; V46-L48 HydrophobicContact CG1-CD1 4.05Å; V46-L48 HydrophobicContact CG1-CG 3.94Å; V46-L48 PolarHBondContact O-N 3.41Å
47	K	27.6	Very low	29.4	Very low	201 Å²	201	149.1 Å²	149.1	87%	0.874	72%	0.715	S	S	*	*			trans	-64.6	92	158.1	-86.2	-177	175.6	178.6	0	105.5	K49	K47-K49 PolarHBondContact O-N 2.98Å
48	L	28.1	Very low	29.3	Very low	112 Å²	112	147.3 Å²	147.3	59%	0.586	72%	0.716	S	S	*	*			trans	-61.1	90.7	164.8	-91.4	132.7	0	0	0	107.1	V46 Y50	V46-L48 HydrophobicContact CG1-CD1 4.05Å; V46-L48 HydrophobicContact CG1-CG 3.94Å; V46-L48 PolarHBondContact O-N 3.41Å; L48-Y50 HydrophobicContact CB-CD2 3.77Å; L48-Y50 HydrophobicContact CB-CE2 3.9Å; L48-Y50 HydrophobicContact CD1-CE2 4.34Å; L48-Y50 HydrophobicContact CD2-CD2 3.77Å; L48-Y50 HydrophobicContact CD2-CE1 4.33Å; L48-Y50 HydrophobicContact CD2-CE2 3.17Å; L48-Y50 VanDerWaalsContact CD2-CZ 3.48Å; L48-Y50 HydrophobicContact CG-CD2 4.31Å; L48-Y50 HydrophobicContact CG-CE2 3.95Å; L48-Y50 PolarHBondContact O-N 3.35Å
49	K	25.3	Very low	29.1	Very low	198 Å²	198	148.4 Å²	148.4	86%	0.861	73%	0.733	S	S	*	*			trans	-66.3	82.1	156.9	-88.1	-174.3	171.1	-174.1	0	106.2	K47 E51	K47-K49 PolarHBondContact O-N 2.98Å; K49-E51 VanDerWaalsContact C-N 3.31Å; K49-E51 PolarHBondContact O-N 3.49Å
50	Y	28.9	Very low	28.9	Very low	173 Å²	173	148.4 Å²	148.4	68%	0.678	74%	0.737	S	S	*	*			trans	-75.3	91.1	160.5	-85.1	-73.6	0	0	0	107	L48 L52	L48-Y50 HydrophobicContact CB-CD2 3.77Å; L48-Y50 HydrophobicContact CB-CE2 3.9Å; L48-Y50 HydrophobicContact CD1-CE2 4.34Å; L48-Y50 HydrophobicContact CD2-CD2 3.77Å; L48-Y50 HydrophobicContact CD2-CE1 4.33Å; L48-Y50 HydrophobicContact CD2-CE2 3.17Å; L48-Y50 VanDerWaalsContact CD2-CZ 3.48Å; L48-Y50 HydrophobicContact CG-CD2 4.31Å; L48-Y50 HydrophobicContact CG-CE2 3.95Å; L48-Y50 PolarHBondContact O-N 3.35Å; Y50-L52 PolarHBondContact O-N 2.94Å; Y50-L52 VanDerWaalsContact O-N 3.12Å
51	E	26.5	Very low	28.8	Very low	189 Å²	189	152.4 Å²	152.4	88%	0.883	76%	0.757	S	S	*	*			trans	-72.9	95	151	-75.2	-144.5	161	0	0	107.1	K49 H53	K49-E51 VanDerWaalsContact C-N 3.31Å; K49-E51 PolarHBondContact O-N 3.49Å; E51-H53 VanDerWaalsContact C-N 3.31Å; E51-H53 PolarHBondContact O-N 3.38Å; E51-H53 VanDerWaalsContact O-N 3.13Å
52	L	26.8	Very low	29	Very low	143 Å²	143	155.7 Å²	155.7	75%	0.749	77%	0.768	S	S	*	*			trans	-83.2	73.2	-178.1	-157.8	112.1	0	0	0	108.8	Y50	Y50-L52 PolarHBondContact O-N 2.94Å; Y50-L52 VanDerWaalsContact O-N 3.12Å
53	H	27	Very low	29.1	Very low	175 Å²	175	159.5 Å²	159.5	81%	0.81	78%	0.783	S	S	*	*			trans	-140.4	129.4	164.3	-112.1	-93.9	0	0	0	109.8	E51	E51-H53 VanDerWaalsContact C-N 3.31Å; E51-H53 PolarHBondContact O-N 3.38Å; E51-H53 VanDerWaalsContact O-N 3.13Å
54	H	29	Very low	29.2	Very low	175 Å²	175	160.1 Å²	160.1	81%	0.81	79%	0.79	S	S	*	*	S	Bend	trans	93.4	25.3	164.2	-99.1	-62.2	0	0	0	123.6
55	L	26.5	Very low	28.9	Very low	164 Å²	164	164.6 Å²	164.6	86%	0.859	79%	0.794	S	S	*	*			trans	-137.6	34.2	164.5	-107.9	145.8	0	0	0	114.7
56	K	29.3	Very low	28.9	Very low	189 Å²	189	170.1 Å²	170.1	82%	0.822	80%	0.801	S	S	*	*			trans	-76.1	135.4	151.6	-87	-179.5	174.7	176	0	106.9
57	D	31	Very low	28.9	Very low	142 Å²	142	172.7 Å²	172.7	76%	0.759	81%	0.81	S	S	*	*	S	Bend	trans	83.2	96	-170.6	-44.9	-23.3	0	0	0	109.2
58	T	30.9	Very low	29.2	Very low	130 Å²	130	167 Å²	167	80%	0.798	80%	0.796	S	S	*	*	S	Bend		-168	13.3	88.6	-41.9	0	0	0	0	113.9
59	L	26.5	Very low	29.4	Very low	179 Å²	179	168.6 Å²	168.6	94%	0.937	81%	0.805	S	S	*	*	S	Bend	trans	-126.1	37.6	-171.4	-76.2	170	0	0	0	116.3
60	L	27.2	Very low	29.6	Very low	158 Å²	158	170.6 Å²	170.6	83%	0.827	81%	0.807	S	S	*	*			trans	-121.4	27.2	173.1	-102	173.9	0	0	0	115
61	F	29.3	Very low	29.6	Very low	178 Å²	178	170.7 Å²	170.7	78%	0.781	82%	0.818	S	S	*	*	S	Bend	trans	-125.4	88.6	172.4	-93.9	-87.3	0	0	0	110.9
62	R	31.6	Very low	29.7	Very low	246 Å²	246	166.5 Å²	166.5	93%	0.928	81%	0.81	S	S	*	*	S	Bend	trans	-176.9	-3.9	134.9	-103.8	168.8	179.1	-177.2	0.3	118.7
63	Q	31.2	Very low	29.6	Very low	194 Å²	194	169.2 Å²	169.2	91%	0.907	82%	0.815	S	S	*	*	S	Bend	trans	-119.2	2.2	-176.1	-87.4	-175.3	-8	0	0	118.4
64	S	31.2	Very low	29.7	Very low	94 Å²	94	170.4 Å²	170.4	66%	0.657	82%	0.821	S	S	*	*	S	Bend	trans	-94.1	-4.1	179	60.7	0	0	0	0	115.7	Y66	S64-Y66 VanDerWaalsContact C-N 3.34Å; S64-Y66 PolarHBondContact O-N 2.99Å
65	R	31.6	Very low	29.5	Very low	203 Å²	203	168.1 Å²	168.1	77%	0.766	83%	0.825	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	6.1	-173.3	-129.9	-171.9	-78.3	179.3	-3.9	115.7
66	Y	30.8	Very low	29.5	Very low	219 Å²	219	163.9 Å²	163.9	86%	0.859	82%	0.821	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	-6.2	-179	-133.9	-93	0	0	0	115.2	S64	S64-Y66 VanDerWaalsContact C-N 3.34Å; S64-Y66 PolarHBondContact O-N 2.99Å
67	L	30.2	Very low	29.3	Very low	164 Å²	164	160.7 Å²	160.7	86%	0.859	82%	0.823	S	S	*	*	S	Bend	trans	-121.9	-0.6	-174.8	-75.1	171.5	0	0	0	116.2
68	S	34.3	Very low	29.2	Very low	82 Å²	82	159.7 Å²	159.7	57%	0.573	83%	0.827	S	S	*	*	S	Bend	trans	-90.7	-7	178.4	62.2	0	0	0	0	115.4
69	N	32	Very low	29	Very low	145 Å²	145	159.3 Å²	159.3	78%	0.775	83%	0.83	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	15.8	-174.4	-82.3	3.4	0	0	0	115.7
70	R	30.6	Very low	29	Very low	240 Å²	240	154.5 Å²	154.5	91%	0.906	82%	0.823	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122	9.8	177.6	-107.7	-169.9	-176.1	-164.2	2.3	117.2
71	L	27.9	Very low	28.9	Very low	175 Å²	175	150.1 Å²	150.1	92%	0.916	82%	0.816	S	S	*	*	S	Bend	trans	-125.2	28.4	177.5	-75.7	167.1	0	0	0	113.9
72	S	28.2	Very low	29	Very low	101 Å²	101	148.8 Å²	148.8	71%	0.706	82%	0.817	S	S	*	*			trans	-110.8	64.5	173.1	66.4	0	0	0	0	111.2
73	K	25.8	Very low	28.9	Very low	200 Å²	200	143.1 Å²	143.1	87%	0.87	82%	0.815	S	S	*	*			trans	-160.3	91.1	163.6	-100.3	-176.6	-174.2	-178.2	0	107.8
74	E	28.7	Very low	29.1	Very low	200 Å²	200	137.8 Å²	137.8	94%	0.935	80%	0.799	S	S	*	*			trans	-174.5	100.1	142.2	-102.9	165.6	-158.6	0	0	108.7
75	S	24.8	Very low	29.4	Very low	127 Å²	127	140.9 Å²	140.9	89%	0.888	80%	0.801	S	S	*	*			trans	-76.5	129.2	166.7	48.3	0	0	0	0	109.4
76	G	27	Very low	29.5	Very low	75 Å²	75	139.1 Å²	139.1	77%	0.773	80%	0.799	S	S	*	*			trans	-175.9	94.9	172.7	0	0	0	0	0	112.2
77	S	23.8	Very low	30.2	Very low	122 Å²	122	132 Å²	132	85%	0.853	78%	0.781	S	S	*	*			trans	-56.5	132.8	173.2	54.3	0	0	0	0	113
78	S	30.3	Very low	30.8	Very low	122 Å²	122	129.2 Å²	129.2	85%	0.853	77%	0.768	S	S	*	*			trans	-158	135.3	138.4	56.6	0	0	0	0	111
79	S	26.4	Very low	31.8	Very low	122 Å²	122	129 Å²	129	85%	0.853	76%	0.763	S	S	*	*			trans	-74.4	151.1	-178.2	51.2	0	0	0	0	113.1
80	G	25.6	Very low	32.7	Very low	77 Å²	77	129.4 Å²	129.4	79%	0.794	76%	0.758	S	S	*	*			trans	124.7	98.7	146.2	0	0	0	0	0	115.8
81	G	26.1	Very low	33.8	Very low	66 Å²	66	122.5 Å²	122.5	68%	0.68	74%	0.738	S	S	*	*			trans	47.9	104.5	140.3	0	0	0	0	0	119.7
82	N	29.9	Very low	34.9	Very low	150 Å²	150	117.2 Å²	117.2	80%	0.802	72%	0.716	S	S	*	*				-178.9	109.4	106.6	-91.4	-17.7	0	0	0	109.5	S84	N82-S84 VanDerWaalsContact C-N 3.34Å; N82-S84 PolarHBondContact O-N 3.48Å
83	S	31	Very low	36.6	Very low	127 Å²	127	117.7 Å²	117.7	89%	0.888	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	82.6	175.2	52.8	0	0	0	0	110.6
84	S	34.5	Very low	38.3	Very low	82 Å²	82	111.3 Å²	111.3	57%	0.573	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-149.2	2.4	159.5	72.5	0	0	0	0	114.5	N82	N82-S84 VanDerWaalsContact C-N 3.34Å; N82-S84 PolarHBondContact O-N 3.48Å
85	F	37.2	Very low	40	Very low	159 Å²	159	106.7 Å²	106.7	70%	0.697	67%	0.674	S	S	*	*	S	Bend	trans	-90.8	-11.6	-175.4	-93.3	-83	0	0	0	115.6	T89	F85-T89 PolarHBondContact O-OG1 3.45Å; F85-T89 VanDerWaalsContact O-OG1 3.1Å
86	F	33.9	Very low	41.5	Very low	166 Å²	166	104.1 Å²	104.1	73%	0.728	65%	0.653	S	S	*	*	H	α-helix	trans	-82	-17.9	-176.1	-75.6	-74.7	0	0	0	114.6	F90	F86-F90 WeakPolarHBondContact O-CD2 3.44Å
87	S	46.5	Very low	43.3	Very low	69 Å²	69	102.7 Å²	102.7	48%	0.483	64%	0.639	S	S	.	*	H	α-helix	trans	-73.7	-39.2	178.4	60	0	0	0	0	112.5	I91	S87-I91 WeakPolarHBondContact O-CD1 3.46Å; S87-I91 WeakPolarHBondContact O-CG1 3.22Å; S87-I91 PolarHBondContact O-N 2.97Å
88	D	42.3	Very low	45.4	Very low	107 Å²	107	100.1 Å²	100.1	57%	0.572	63%	0.625	S	S	*	*	H	α-helix	trans	-77.9	-30.2	-169.6	-73.7	0.2	0	0	0	112.6	S92	D88-S92 VanDerWaalsContact O-CB 3.31Å; D88-S92 WeakPolarHBondContact O-CB 3.3Å; D88-S92 PolarHBondContact O-N 2.93Å
89	T	55.1	Low	47.2	Very low	78 Å²	78	100.8 Å²	100.8	48%	0.479	61%	0.613	S	S	.	*	H	α-helix	trans	-70.4	-39.3	178.1	-0.5	0	0	0	0	112.1	F85 S92 I93	F85-T89 PolarHBondContact O-OG1 3.45Å; F85-T89 VanDerWaalsContact O-OG1 3.1Å; T89-S92 WeakPolarHBondContact O-CB 3.42Å; T89-S92 PolarHBondContact O-N 2.99Å; T89-I93 WeakPolarHBondContact O-CG1 3.44Å; T89-I93 PolarHBondContact O-N 3.49Å
90	F	51.8	Low	49	Very low	152 Å²	152	100.6 Å²	100.6	67%	0.667	60%	0.602	S	S	*	*	H	α-helix	trans	-67.5	-41.1	176.6	-90.3	-80.2	0	0	0	112.2	F86 S92 I93 A94	F86-F90 WeakPolarHBondContact O-CD2 3.44Å; F90-S92 VanDerWaalsContact C-N 3.32Å; F90-S92 PolarHBondContact O-N 2.81Å; F90-I93 PolarHBondContact O-N 3.07Å; F90-A94 WeakPolarHBondContact O-CB 3.39Å; F90-A94 PolarHBondContact O-N 3.37Å
91	I	52.4	Low	50.8	Low	96 Å²	96	98.8 Å²	98.8	49%	0.492	58%	0.582	S	S	.	*	H	α-helix	trans	-63	-41.9	175.6	-65.7	168	0	0	0	110	S87 A94 I95	S87-I91 WeakPolarHBondContact O-CD1 3.46Å; S87-I91 WeakPolarHBondContact O-CG1 3.22Å; S87-I91 PolarHBondContact O-N 2.97Å; I91-A94 PolarHBondContact O-N 3.01Å; I91-I95 HydrophobicContact CG2-CD1 3.56Å; I91-I95 HydrophobicContact CG2-CG1 4.28Å; I91-I95 WeakPolarHBondContact O-CB 3.23Å; I91-I95 VanDerWaalsContact O-CG1 3.22Å; I91-I95 WeakPolarHBondContact O-CG1 3.47Å; I91-I95 PolarHBondContact O-N 2.85Å
92	S	52.1	Low	52.9	Low	64 Å²	64	98.5 Å²	98.5	45%	0.448	57%	0.57	S	S	.	*	H	α-helix	trans	-59	-46.3	175.1	171	0	0	0	0	113	D88 T89 F90 I95 T96	D88-S92 VanDerWaalsContact O-CB 3.31Å; D88-S92 WeakPolarHBondContact O-CB 3.3Å; D88-S92 PolarHBondContact O-N 2.93Å; T89-S92 WeakPolarHBondContact O-CB 3.42Å; T89-S92 PolarHBondContact O-N 2.99Å; F90-S92 VanDerWaalsContact C-N 3.32Å; F90-S92 PolarHBondContact O-N 2.81Å; S92-I95 PolarHBondContact O-N 2.88Å; S92-T96 WeakPolarHBondContact O-CB 3.33Å; S92-T96 WeakPolarHBondContact O-CG2 3.31Å; S92-T96 PolarHBondContact O-N 2.78Å; S92-T96 PolarHBondContact O-OG1 2.81Å
93	I	63.7	Low	54.2	Low	111 Å²	111	94.4 Å²	94.4	57%	0.569	55%	0.552	S	S	*	*	H	α-helix	trans	-66.4	-40.9	179.1	-66.2	165.7	0	0	0	111.1	T89 F90 T96 G97	T89-I93 WeakPolarHBondContact O-CG1 3.44Å; T89-I93 PolarHBondContact O-N 3.49Å; F90-I93 PolarHBondContact O-N 3.07Å; I93-T96 VanDerWaalsContact CA-OG1 3.32Å; I93-T96 WeakPolarHBondContact CA-OG1 3.22Å; I93-T96 PolarHBondContact O-N 3.42Å; I93-T96 PolarHBondContact O-OG1 3.15Å; I93-G97 PolarHBondContact O-N 2.76Å
94	A	61.2	Low	55.7	Low	66 Å²	66	93.7 Å²	93.7	55%	0.545	54%	0.538	S	S	.	.	H	α-helix	trans	-65.7	-43.5	177.9	0	0	0	0	0	112.2	F90 I91 G97 A98	F90-A94 WeakPolarHBondContact O-CB 3.39Å; F90-A94 PolarHBondContact O-N 3.37Å; I91-A94 PolarHBondContact O-N 3.01Å; A94-G97 PolarHBondContact O-N 2.95Å; A94-A98 WeakPolarHBondContact O-CB 3.46Å; A94-A98 PolarHBondContact O-N 3.36Å
95	I	63.6	Low	56.4	Low	102 Å²	102	92.5 Å²	92.5	52%	0.523	53%	0.533	S	S	.	.	H	α-helix	trans	-65	-44.2	177.6	-67.9	169.5	0	0	0	110.3	I91 S92 A98 F99	I91-I95 HydrophobicContact CG2-CD1 3.56Å; I91-I95 HydrophobicContact CG2-CG1 4.28Å; I91-I95 WeakPolarHBondContact O-CB 3.23Å; I91-I95 VanDerWaalsContact O-CG1 3.22Å; I91-I95 WeakPolarHBondContact O-CG1 3.47Å; I91-I95 PolarHBondContact O-N 2.85Å; S92-I95 PolarHBondContact O-N 2.88Å; I95-A98 PolarHBondContact O-N 2.85Å; I95-F99 WeakPolarHBondContact O-CB 3.32Å; I95-F99 PolarHBondContact O-N 2.92Å
96	T	58.1	Low	56.9	Low	73 Å²	73	90.8 Å²	90.8	45%	0.448	53%	0.526	S	S	.	.	H	α-helix	trans	-65.3	-39.5	178.3	44.9	0	0	0	0	112.4	S92 I93 F99 L100	S92-T96 WeakPolarHBondContact O-CB 3.33Å; S92-T96 WeakPolarHBondContact O-CG2 3.31Å; S92-T96 PolarHBondContact O-N 2.78Å; S92-T96 PolarHBondContact O-OG1 2.81Å; I93-T96 VanDerWaalsContact CA-OG1 3.32Å; I93-T96 WeakPolarHBondContact CA-OG1 3.22Å; I93-T96 PolarHBondContact O-N 3.42Å; I93-T96 PolarHBondContact O-OG1 3.15Å; T96-F99 PolarHBondContact O-N 3.45Å; T96-L100 PolarHBondContact O-N 3.42Å
97	G	65	Low	57.3	Low	45 Å²	45	91.1 Å²	91.1	46%	0.464	52%	0.522	S	S	.	.	H	α-helix	trans	-62.3	-45.6	173.3	0	0	0	0	0	113	I93 A94 F99 L100 G101	I93-G97 PolarHBondContact O-N 2.76Å; A94-G97 PolarHBondContact O-N 2.95Å; G97-F99 VanDerWaalsContact C-N 3.33Å; G97-F99 PolarHBondContact O-N 3.47Å; G97-L100 PolarHBondContact O-N 3.33Å; G97-G101 PolarHBondContact O-N 2.77Å
98	A	67.9	Low	57.6	Low	68 Å²	68	95.6 Å²	95.6	56%	0.562	53%	0.528	S	S	*	.	H	α-helix	trans	-63.8	-38	175.7	0	0	0	0	0	112.2	A94 I95 G101 S102	A94-A98 WeakPolarHBondContact O-CB 3.46Å; A94-A98 PolarHBondContact O-N 3.36Å; I95-A98 PolarHBondContact O-N 2.85Å; A98-G101 PolarHBondContact O-N 3.06Å; A98-S102 WeakPolarHBondContact O-CB 3.41Å; A98-S102 PolarHBondContact O-N 3.4Å
99	F	67.2	Low	57.7	Low	137 Å²	137	98.3 Å²	98.3	60%	0.601	53%	0.532	S	S	*	.	H	α-helix	trans	-70.1	-41.4	177.6	-143.8	-86.3	0	0	0	111.9	I95 T96 G97 G101 S102 C103	I95-F99 WeakPolarHBondContact O-CB 3.32Å; I95-F99 PolarHBondContact O-N 2.92Å; T96-F99 PolarHBondContact O-N 3.45Å; G97-F99 VanDerWaalsContact C-N 3.33Å; G97-F99 PolarHBondContact O-N 3.47Å; F99-G101 VanDerWaalsContact C-N 3.34Å; F99-S102 PolarHBondContact O-N 3.41Å; F99-S102 PolarHBondContact O-OG 3.33Å; F99-S102 VanDerWaalsContact O-OG 3.12Å; F99-C103 WeakPolarHBondContact O-CB 3.49Å; F99-C103 PolarHBondContact O-N 3.37Å; F99-C103 PolarHBondContact O-SG 2.88Å
100	L	64.3	Low	57.2	Low	118 Å²	118	97.3 Å²	97.3	62%	0.618	53%	0.525	S	S	*	.	H	α-helix	trans	-63.1	-42.2	173	-110.3	80.5	0	0	0	111.3	T96 G97 C103 L104	T96-L100 PolarHBondContact O-N 3.42Å; G97-L100 PolarHBondContact O-N 3.33Å; L100-C103 PolarHBondContact O-N 2.81Å; L100-L104 WeakPolarHBondContact O-CB 3.15Å; L100-L104 WeakPolarHBondContact O-CG 3.45Å; L100-L104 PolarHBondContact O-N 3.35Å
101	G	64.1	Low	56.7	Low	38 Å²	38	95.2 Å²	95.2	39%	0.392	52%	0.521	S	S	.	.	H	α-helix	trans	-60.7	-43.4	175.4	0	0	0	0	0	112.3	G97 A98 F99 L104 A105	G97-G101 PolarHBondContact O-N 2.77Å; A98-G101 PolarHBondContact O-N 3.06Å; F99-G101 VanDerWaalsContact C-N 3.34Å; G101-L104 PolarHBondContact O-N 2.79Å; G101-A105 VanDerWaalsContact O-CB 3.29Å; G101-A105 WeakPolarHBondContact O-CB 3.43Å; G101-A105 PolarHBondContact O-N 2.92Å
102	S	68.7	Low	55.9	Low	60 Å²	60	98.5 Å²	98.5	42%	0.42	53%	0.528	S	S	.	.	H	α-helix	trans	-69.6	-38.1	177.1	85.7	0	0	0	0	112.2	A98 F99 A105 F106	A98-S102 WeakPolarHBondContact O-CB 3.41Å; A98-S102 PolarHBondContact O-N 3.4Å; F99-S102 PolarHBondContact O-N 3.41Å; F99-S102 PolarHBondContact O-OG 3.33Å; F99-S102 VanDerWaalsContact O-OG 3.12Å; S102-A105 PolarHBondContact O-N 3.34Å; S102-F106 WeakPolarHBondContact O-CB 3.46Å; S102-F106 PolarHBondContact O-N 3.39Å
103	C	57.9	Low	55.1	Low	64 Å²	64	100.7 Å²	100.7	43%	0.432	53%	0.534	S	S	.	.	H	α-helix	trans	-65	-38.9	174.1	-72.5	0	0	0	0	112	F99 L100 R107	F99-C103 WeakPolarHBondContact O-CB 3.49Å; F99-C103 PolarHBondContact O-N 3.37Å; F99-C103 PolarHBondContact O-SG 2.88Å; L100-C103 PolarHBondContact O-N 2.81Å; C103-R107 WeakPolarHBondContact O-CB 3.4Å; C103-R107 PolarHBondContact O-N 2.92Å
104	L	62.5	Low	53.8	Low	113 Å²	113	101.2 Å²	101.2	59%	0.592	53%	0.528	S	S	*	.	H	α-helix	trans	-69	-42.6	174.7	-74.8	170.3	0	0	0	111.5	L100 G101 R107 W108	L100-L104 WeakPolarHBondContact O-CB 3.15Å; L100-L104 WeakPolarHBondContact O-CG 3.45Å; L100-L104 PolarHBondContact O-N 3.35Å; G101-L104 PolarHBondContact O-N 2.79Å; L104-R107 PolarHBondContact O-N 2.85Å; L104-W108 WeakPolarHBondContact O-CB 3.2Å; L104-W108 PolarHBondContact O-N 3.23Å
105	A	48.5	Very low	52.4	Low	56 Å²	56	103.3 Å²	103.3	46%	0.463	53%	0.53	S	S	.	.	H	α-helix	trans	-64.2	-40.4	174.9	0	0	0	0	0	111.8	G101 S102 W108 Y109	G101-A105 VanDerWaalsContact O-CB 3.29Å; G101-A105 WeakPolarHBondContact O-CB 3.43Å; G101-A105 PolarHBondContact O-N 2.92Å; S102-A105 PolarHBondContact O-N 3.34Å; A105-W108 PolarHBondContact O-N 3.32Å; A105-Y109 WeakPolarHBondContact O-CB 3.2Å; A105-Y109 PolarHBondContact O-N 3.4Å
106	F	48.8	Very low	51.3	Low	124 Å²	124	100.1 Å²	100.1	54%	0.544	51%	0.512	S	S	.	.	H	α-helix	trans	-66.3	-44	175.3	-177	-101.1	0	0	0	111.3	S102 Y109 V110	S102-F106 WeakPolarHBondContact O-CB 3.46Å; S102-F106 PolarHBondContact O-N 3.39Å; F106-Y109 PolarHBondContact O-N 3.07Å; F106-V110 HydrophobicContact CD1-CG2 4.1Å; F106-V110 HydrophobicContact CD2-CG2 4.3Å; F106-V110 HydrophobicContact CE1-CG2 3.76Å; F106-V110 HydrophobicContact CE2-CG2 3.98Å; F106-V110 HydrophobicContact CG-CG2 4.36Å; F106-V110 HydrophobicContact CZ-CG2 3.7Å; F106-V110 WeakPolarHBondContact O-CB 3.29Å; F106-V110 VanDerWaalsContact O-CG2 3.25Å; F106-V110 WeakPolarHBondContact O-CG2 3.33Å; F106-V110 PolarHBondContact O-N 2.82Å
107	R	41	Very low	50.1	Low	172 Å²	172	99.6 Å²	99.6	65%	0.649	51%	0.511	S	S	*	.	H	α-helix	trans	-64.1	-40.2	174.2	178.4	167.1	148.4	130.8	-6.5	111.7	C103 L104 N111	C103-R107 WeakPolarHBondContact O-CB 3.4Å; C103-R107 PolarHBondContact O-N 2.92Å; L104-R107 PolarHBondContact O-N 2.85Å; R107-N111 VanDerWaalsContact O-CB 3.23Å; R107-N111 WeakPolarHBondContact O-CB 3.18Å; R107-N111 VanDerWaalsContact O-CG 3.31Å; R107-N111 PolarHBondContact O-N 3.37Å
108	W	53.5	Low	48.8	Very low	163 Å²	163	102.4 Å²	102.4	62%	0.617	52%	0.515	S	S	*	.	H	α-helix	trans	-64	-41.9	173.9	-177.8	84.8	0	0	0	111.6	L104 A105 R112	L104-W108 WeakPolarHBondContact O-CB 3.2Å; L104-W108 PolarHBondContact O-N 3.23Å; A105-W108 PolarHBondContact O-N 3.32Å; W108-R112 PolarHBondContact O-N 2.88Å
109	Y	45.2	Very low	47	Very low	164 Å²	164	105.6 Å²	105.6	64%	0.643	53%	0.527	S	S	*	.	H	α-helix	trans	-69.7	-45.9	178.8	-177.5	-99.7	0	0	0	112.9	A105 F106 N111 R112	A105-Y109 WeakPolarHBondContact O-CB 3.2Å; A105-Y109 PolarHBondContact O-N 3.4Å; F106-Y109 PolarHBondContact O-N 3.07Å; Y109-N111 VanDerWaalsContact C-N 3.34Å; Y109-N111 PolarHBondContact O-N 2.91Å; Y109-R112 PolarHBondContact O-N 2.83Å; Y109-R112 VanDerWaalsContact O-N 3.14Å
110	V	43.5	Very low	45.1	Very low	57 Å²	57	107 Å²	107	35%	0.345	54%	0.536	S	S	.	.	H	α-helix	trans	-64.7	-39.1	177.1	172.2	0	0	0	0	111	F106 R112 L113	F106-V110 HydrophobicContact CD1-CG2 4.1Å; F106-V110 HydrophobicContact CD2-CG2 4.3Å; F106-V110 HydrophobicContact CE1-CG2 3.76Å; F106-V110 HydrophobicContact CE2-CG2 3.98Å; F106-V110 HydrophobicContact CG-CG2 4.36Å; F106-V110 HydrophobicContact CZ-CG2 3.7Å; F106-V110 WeakPolarHBondContact O-CB 3.29Å; F106-V110 VanDerWaalsContact O-CG2 3.25Å; F106-V110 WeakPolarHBondContact O-CG2 3.33Å; F106-V110 PolarHBondContact O-N 2.82Å; V110-R112 PolarHBondContact O-N 2.95Å; V110-L113 WeakPolarHBondContact O-CD1 3.34Å; V110-L113 WeakPolarHBondContact O-CG 3.22Å; V110-L113 PolarHBondContact O-N 2.87Å
111	N	40.9	Very low	43.5	Very low	108 Å²	108	111 Å²	111	58%	0.578	55%	0.548	S	S	*	.	H	α-helix	trans	-73.9	-10.3	176.8	-75.2	-7.3	0	0	0	113.6	R107 Y109 L113	R107-N111 VanDerWaalsContact O-CB 3.23Å; R107-N111 WeakPolarHBondContact O-CB 3.18Å; R107-N111 VanDerWaalsContact O-CG 3.31Å; R107-N111 PolarHBondContact O-N 3.37Å; Y109-N111 VanDerWaalsContact C-N 3.34Å; Y109-N111 PolarHBondContact O-N 2.91Å; N111-L113 VanDerWaalsContact C-N 3.27Å; N111-L113 PolarHBondContact O-N 3.48Å
112	R	37.5	Very low	41.7	Very low	166 Å²	166	118.5 Å²	118.5	63%	0.626	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	14.9	173.7	-149.1	178.3	-177.4	178.4	-1.2	113.3	W108 Y109 V110 R114	W108-R112 PolarHBondContact O-N 2.88Å; Y109-R112 PolarHBondContact O-N 2.83Å; Y109-R112 VanDerWaalsContact O-N 3.14Å; V110-R112 PolarHBondContact O-N 2.95Å; R112-R114 PolarHBondContact O-N 2.99Å; R112-R114 VanDerWaalsContact O-N 3.08Å
113	L	34.2	Very low	39.8	Very low	110 Å²	110	122.8 Å²	122.8	58%	0.576	59%	0.588	S	S	*	*	S	Bend	trans	-46.3	119.3	161.3	-85.7	160.9	0	0	0	108.2	V110 N111 D115	V110-L113 WeakPolarHBondContact O-CD1 3.34Å; V110-L113 WeakPolarHBondContact O-CG 3.22Å; V110-L113 PolarHBondContact O-N 2.87Å; N111-L113 VanDerWaalsContact C-N 3.27Å; N111-L113 PolarHBondContact O-N 3.48Å; L113-D115 PolarHBondContact O-N 3.17Å
114	R	37.1	Very low	38.6	Very low	122 Å²	122	125.2 Å²	125.2	46%	0.46	60%	0.603	S	S	.	*			trans	-27.9	105.9	-179.3	-78.7	179	174.3	171.2	-6.2	110	R112 Y116	R112-R114 PolarHBondContact O-N 2.99Å; R112-R114 VanDerWaalsContact O-N 3.08Å; R114-Y116 VanDerWaalsContact C-N 3.28Å; R114-Y116 HydrophobicContact CB-CD2 4.01Å; R114-Y116 HydrophobicContact CB-CE2 3.53Å; R114-Y116 WeakPolarHBondContact CD-OH 3.48Å; R114-Y116 HydrophobicContact CG-CE2 4.48Å; R114-Y116 PolarHBondContact NH1-OH 3.26Å; R114-Y116 WeakPolarHBondContact O-CD2 3.4Å; R114-Y116 PolarHBondContact O-N 3.47Å
115	D	31.7	Very low	37	Very low	109 Å²	109	128.6 Å²	128.6	58%	0.583	62%	0.616	S	S	*	*			trans	-71.8	94.5	175.7	-87.6	-26.7	0	0	0	107.3	L113 S117 K748	L113-D115 PolarHBondContact O-N 3.17Å; D115-S117 PolarHBondContact O-N 2.81Å; D115-K748 IonicContact OD1-NZ 3.53Å; D115-K748 PolarHBondContact OD1-NZ 3.37Å
116	Y	39.5	Very low	36.2	Very low	35 Å²	35	136.1 Å²	136.1	14%	0.137	64%	0.638	C	S	.	*			trans	-75.7	3.3	167.7	-66.4	-76.2	0	0	0	111.9	R114 I118 C625 L686 T746	R114-Y116 VanDerWaalsContact C-N 3.28Å; R114-Y116 HydrophobicContact CB-CD2 4.01Å; R114-Y116 HydrophobicContact CB-CE2 3.53Å; R114-Y116 WeakPolarHBondContact CD-OH 3.48Å; R114-Y116 HydrophobicContact CG-CE2 4.48Å; R114-Y116 PolarHBondContact NH1-OH 3.26Å; R114-Y116 WeakPolarHBondContact O-CD2 3.4Å; R114-Y116 PolarHBondContact O-N 3.47Å; Y116-I118 PolarHBondContact O-N 2.87Å; Y116-C625 HydrophobicContact CD1-CB 4.23Å; Y116-C625 HydrophobicContact CE1-CB 4.27Å; Y116-L686 HydrophobicContact CE1-CD1 4.31Å; Y116-T746 HydrophobicContact CD1-CG2 4.45Å; Y116-T746 HydrophobicContact CG-CG2 4.2Å
117	S	32.6	Very low	35.2	Very low	62 Å²	62	135.3 Å²	135.3	43%	0.434	65%	0.648	S	S	.	*			trans	-75.2	119.9	-177.6	55.1	0	0	0	0	110.9	D115 T119	D115-S117 PolarHBondContact O-N 2.81Å; S117-T119 PolarHBondContact O-N 3.08Å
118	I	37.9	Very low	34.5	Very low	105 Å²	105	130.8 Å²	130.8	54%	0.538	66%	0.655	S	S	.	*			trans	-60.3	123	165.8	-63.4	166.6	0	0	0	107.1	Y116 E120	Y116-I118 PolarHBondContact O-N 2.87Å; I118-E120 HydrophobicContact CG2-CG 4.25Å; I118-E120 PolarHBondContact O-N 2.93Å
119	T	29.6	Very low	33.3	Very low	135 Å²	135	130.6 Å²	130.6	83%	0.828	67%	0.665	S	S	*	*			trans	-66.4	86.4	158.6	45.2	0	0	0	0	107	S117 K121	S117-T119 PolarHBondContact O-N 3.08Å; T119-K121 PolarHBondContact O-N 3.28Å; T119-K121 VanDerWaalsContact O-N 3.11Å
120	E	28.7	Very low	32.2	Very low	165 Å²	165	132 Å²	132	77%	0.771	68%	0.678	S	S	*	*			trans	-57.5	118.6	160.5	-78.9	-172.7	161.9	0	0	106	I118 K122	I118-E120 HydrophobicContact CG2-CG 4.25Å; I118-E120 PolarHBondContact O-N 2.93Å; E120-K122 VanDerWaalsContact C-N 3.25Å; E120-K122 PolarHBondContact O-N 3.31Å
121	K	29.6	Very low	31.4	Very low	202 Å²	202	134.8 Å²	134.8	88%	0.878	70%	0.697	S	S	*	*			trans	-56.1	99.9	164.9	-81.3	-179.7	174.7	177.7	0	106	T119 N123	T119-K121 PolarHBondContact O-N 3.28Å; T119-K121 VanDerWaalsContact O-N 3.11Å; K121-N123 PolarHBondContact O-N 3.01Å
122	K	27.3	Very low	30.7	Very low	197 Å²	197	138.8 Å²	138.8	86%	0.857	71%	0.712	S	S	*	*			trans	-51.2	110	161.3	-90.3	-176.6	171.9	-176.5	0	105.9	E120 P124	E120-K122 VanDerWaalsContact C-N 3.25Å; E120-K122 PolarHBondContact O-N 3.31Å; K122-P124 WeakPolarHBondContact O-CD 3.32Å; K122-P124 VanDerWaalsContact O-N 3.1Å
123	N	28.5	Very low	30.1	Very low	150 Å²	150	137.9 Å²	137.9	80%	0.802	72%	0.724	S	S	*	*			trans	-52.1	118.7	166.6	-95.1	-26.3	0	0	0	106.5	K121 E125	K121-N123 PolarHBondContact O-N 3.01Å; N123-E125 PolarHBondContact O-N 2.92Å
124	P	33.1	Very low	29.7	Very low	115 Å²	115	137.9 Å²	137.9	75%	0.747	73%	0.734	S	S	*	*			trans	-62	130.4	179.4	25.9	-30.5	0	0	0	107.3	K122 K126	K122-P124 WeakPolarHBondContact O-CD 3.32Å; K122-P124 VanDerWaalsContact O-N 3.1Å; P124-K126 PolarHBondContact O-N 2.96Å; P124-K126 VanDerWaalsContact O-N 3.12Å
125	E	29.3	Very low	29.1	Very low	184 Å²	184	137.4 Å²	137.4	86%	0.86	75%	0.749	S	S	*	*			trans	-38.3	115.6	178.2	-66.3	167.9	166.3	0	0	110.2	N123 S127	N123-E125 PolarHBondContact O-N 2.92Å; E125-S127 PolarHBondContact O-N 3.01Å
126	K	30.7	Very low	28.9	Very low	213 Å²	213	136.9 Å²	136.9	93%	0.926	76%	0.76	S	S	*	*			trans	-63.2	91.7	163.5	-81.7	-175.8	175.1	-177.8	0	106.6	P124 G128	P124-K126 PolarHBondContact O-N 2.96Å; P124-K126 VanDerWaalsContact O-N 3.12Å; K126-G128 PolarHBondContact O-N 2.85Å
127	S	27.4	Very low	28.1	Very low	108 Å²	108	140.1 Å²	140.1	76%	0.755	79%	0.788	S	S	*	*			trans	-54.3	127.8	161.8	39	0	0	0	0	107.9	E125 L129	E125-S127 PolarHBondContact O-N 3.01Å; S127-L129 PolarHBondContact O-N 3.24Å
128	G	27.2	Very low	27.8	Very low	76 Å²	76	144.8 Å²	144.8	78%	0.784	81%	0.808	S	S	*	*			trans	-59.9	119.7	-177.1	0	0	0	0	0	111	K126	K126-G128 PolarHBondContact O-N 2.85Å
129	L	27.8	Very low	27.3	Very low	159 Å²	159	144.6 Å²	144.6	83%	0.832	82%	0.822	S	S	*	*			trans	-146.3	100.8	154.3	-94	155.1	0	0	0	103.9	S127 P131	S127-L129 PolarHBondContact O-N 3.24Å; L129-P131 WeakPolarHBondContact O-CD 3.35Å
130	E	22.6	Very low	27.1	Very low	195 Å²	195	146.1 Å²	146.1	91%	0.911	82%	0.824	S	S	*	*			trans	-56.8	119.2	171.3	-66.7	177	146.2	0	0	108.9
131	P	26.8	Very low	26.9	Very low	115 Å²	115	147.3 Å²	147.3	75%	0.747	83%	0.829	S	S	*	*			trans	-93.1	124.2	161.3	7.7	13.9	0	0	0	107.5	L129 V133	L129-P131 WeakPolarHBondContact O-CD 3.35Å; P131-V133 PolarHBondContact O-N 2.87Å
132	E	25.6	Very low	26.6	Very low	192 Å²	192	145 Å²	145	90%	0.897	83%	0.825	S	S	*	*			trans	-45.1	134.1	177.7	-68.8	179	139.7	0	0	112.9	S134	E132-S134 PolarHBondContact O-N 2.79Å; E132-S134 VanDerWaalsContact O-N 3.09Å
133	V	25	Very low	26.5	Very low	146 Å²	146	140.7 Å²	140.7	89%	0.885	82%	0.817	S	S	*	*			trans	-66.5	100.5	176.5	177.8	0	0	0	0	109	P131	P131-V133 PolarHBondContact O-N 2.87Å
134	S	26.1	Very low	26.2	Very low	111 Å²	111	139.9 Å²	139.9	78%	0.776	82%	0.817	S	S	*	*			trans	-100.5	104.4	159.8	73.2	0	0	0	0	109.3	E132 A136	E132-S134 PolarHBondContact O-N 2.79Å; E132-S134 VanDerWaalsContact O-N 3.09Å; S134-A136 PolarHBondContact O-N 3.14Å
135	S	23.9	Very low	25.7	Very low	112 Å²	112	140.5 Å²	140.5	78%	0.783	82%	0.819	S	S	*	*			trans	-50.5	117.9	171.4	50.7	0	0	0	0	113
136	A	26.9	Very low	25.5	Very low	97 Å²	97	140.4 Å²	140.4	80%	0.802	82%	0.819	S	S	*	*			trans	-140	83.8	155.9	0	0	0	0	0	108.3	S134 N138	S134-A136 PolarHBondContact O-N 3.14Å; A136-N138 PolarHBondContact O-N 3.43Å
137	S	23.9	Very low	25.2	Very low	104 Å²	104	133.7 Å²	133.7	73%	0.727	81%	0.809	S	S	*	*			trans	-57.9	122.5	162	47.2	0	0	0	0	109.8
138	N	26.2	Very low	25	Very low	160 Å²	160	133.9 Å²	133.9	86%	0.856	81%	0.811	S	S	*	*			trans	173.4	70.7	145.4	-85.5	-12.8	0	0	0	108.5	A136	A136-N138 PolarHBondContact O-N 3.43Å
139	A	28.1	Very low	24.9	Very low	101 Å²	101	139.2 Å²	139.2	84%	0.835	82%	0.815	S	S	*	*			trans	-101.8	103.4	164.2	0	0	0	0	0	107.3	E141	A139-E141 PolarHBondContact O-N 3.12Å
140	L	25	Very low	24.7	Very low	167 Å²	167	136.8 Å²	136.8	87%	0.874	81%	0.812	S	S	*	*			trans	-55.2	119	170.6	-89.8	125.6	0	0	0	109.7	I142	L140-I142 PolarHBondContact O-N 2.88Å
141	E	23.2	Very low	24.7	Very low	189 Å²	189	133.2 Å²	133.2	88%	0.883	80%	0.803	S	S	*	*			trans	-62.9	113.4	167.7	-71.5	177.4	153.4	0	0	109.3	A139	A139-E141 PolarHBondContact O-N 3.12Å
142	I	24	Very low	24.6	Very low	155 Å²	155	135.3 Å²	135.3	80%	0.795	81%	0.807	S	S	*	*			trans	-91.5	114	165.5	-59.9	174.1	0	0	0	106	L140	L140-I142 PolarHBondContact O-N 2.88Å
143	P	24.3	Very low	24.4	Very low	106 Å²	106	133.2 Å²	133.2	69%	0.688	80%	0.802	S	S	*	*			trans	-74.5	134.8	-177.3	12.1	-2.7	0	0	0	110.9	T145	P143-T145 PolarHBondContact O-N 3.28Å
144	V	23.1	Very low	24.3	Very low	132 Å²	132	132.4 Å²	132.4	80%	0.8	80%	0.798	S	S	*	*			trans	-67.9	97.2	173.7	179.1	0	0	0	0	108.8
145	T	22.1	Very low	24.1	Very low	129 Å²	129	132.1 Å²	132.1	79%	0.791	80%	0.795	S	S	*	*			trans	-89.7	118.1	166.3	29.1	0	0	0	0	109.5	P143 G147	P143-T145 PolarHBondContact O-N 3.28Å; T145-G147 PolarHBondContact O-N 2.89Å
146	H	24.9	Very low	24.2	Very low	182 Å²	182	132.4 Å²	132.4	84%	0.843	80%	0.795	S	S	*	*			trans	-58.8	95.4	170.3	-73.5	-85	0	0	0	109.9	S148	H146-S148 PolarHBondContact O-N 2.9Å
147	G	24.9	Very low	24.1	Very low	71 Å²	71	135.4 Å²	135.4	73%	0.732	80%	0.796	S	S	*	*			trans	-75.3	97.5	170.4	0	0	0	0	0	109.7	T145 E149	T145-G147 PolarHBondContact O-N 2.89Å; G147-E149 PolarHBondContact O-N 3.36Å
148	S	23.8	Very low	24	Very low	112 Å²	112	138.6 Å²	138.6	78%	0.783	80%	0.799	S	S	*	*			trans	-52.2	122.4	159.9	46	0	0	0	0	109.4	H146 S150	H146-S148 PolarHBondContact O-N 2.9Å; S148-S150 PolarHBondContact O-N 2.76Å
149	E	25	Very low	23.9	Very low	189 Å²	189	139.7 Å²	139.7	88%	0.883	80%	0.798	S	S	*	*			trans	-51.4	106.7	177.5	-71.5	175.5	150.5	0	0	110.4	G147 V151	G147-E149 PolarHBondContact O-N 3.36Å; E149-V151 PolarHBondContact O-N 2.6Å; E149-V151 VanDerWaalsContact O-N 3.08Å
150	S	22.4	Very low	23.6	Very low	108 Å²	108	141.9 Å²	141.9	76%	0.755	79%	0.791	S	S	*	*			trans	-71.3	101.7	169.4	56.4	0	0	0	0	107.7	S148 L152	S148-S150 PolarHBondContact O-N 2.76Å; S150-L152 PolarHBondContact O-N 3.5Å; S150-L152 VanDerWaalsContact O-N 3.07Å
151	V	24.3	Very low	23.5	Very low	119 Å²	119	140 Å²	140	72%	0.721	79%	0.787	S	S	*	*			trans	-45.4	113.6	164.3	176.7	0	0	0	0	108.2	E149 N153	E149-V151 PolarHBondContact O-N 2.6Å; E149-V151 VanDerWaalsContact O-N 3.08Å; V151-N153 VanDerWaalsContact C-N 3.3Å; V151-N153 PolarHBondContact O-N 3Å
152	L	23.3	Very low	23.6	Very low	159 Å²	159	141.2 Å²	141.2	83%	0.832	78%	0.784	S	S	*	*			trans	-60.5	97	168.2	-97.4	137.6	0	0	0	107.3	S150 T154	S150-L152 PolarHBondContact O-N 3.5Å; S150-L152 VanDerWaalsContact O-N 3.07Å; L152-T154 PolarHBondContact O-N 2.99Å
153	N	22.1	Very low	23.5	Very low	149 Å²	149	141.5 Å²	141.5	80%	0.797	79%	0.787	S	S	*	*			trans	-60.8	88	166.8	-88.2	-20.1	0	0	0	108.4	V151 S155	V151-N153 VanDerWaalsContact C-N 3.3Å; V151-N153 PolarHBondContact O-N 3Å; N153-S155 PolarHBondContact O-N 3.26Å
154	T	22.9	Very low	23.7	Very low	129 Å²	129	141.4 Å²	141.4	79%	0.791	79%	0.789	S	S	*	*			trans	-66.4	111.6	160.5	48.8	0	0	0	0	107.3	L152	L152-T154 PolarHBondContact O-N 2.99Å
155	S	22.6	Very low	23.7	Very low	104 Å²	104	140 Å²	140	73%	0.727	79%	0.785	S	S	*	*			trans	-52.8	134.3	176.8	-28.7	0	0	0	0	109.7	N153 I157	N153-S155 PolarHBondContact O-N 3.26Å; S155-I157 PolarHBondContact O-N 2.83Å
156	P	25.2	Very low	23.9	Very low	119 Å²	119	140.2 Å²	140.2	77%	0.773	78%	0.781	S	S	*	*			trans	-64.6	127.4	179.5	26.6	-32.4	0	0	0	109.2	Q158	P156-Q158 PolarHBondContact O-N 2.86Å
157	I	25.1	Very low	24	Very low	160 Å²	160	141 Å²	141	82%	0.821	79%	0.785	S	S	*	*			trans	-50.4	109.7	174.7	-64.3	167.2	0	0	0	107.6	S155 H159	S155-I157 PolarHBondContact O-N 2.83Å; I157-H159 PolarHBondContact O-N 3.38Å
158	Q	21.7	Very low	24	Very low	171 Å²	171	142.4 Å²	142.4	80%	0.799	78%	0.783	S	S	*	*			trans	-64.6	116.7	172.8	-74.8	-177.6	-12	0	0	107.7	P156 E160	P156-Q158 PolarHBondContact O-N 2.86Å; Q158-E160 VanDerWaalsContact C-N 3.25Å; Q158-E160 PolarHBondContact O-N 3.06Å
159	H	23.2	Very low	24.2	Very low	182 Å²	182	142.6 Å²	142.6	84%	0.843	78%	0.782	S	S	*	*			trans	-61.9	89.8	165.8	-85.4	-88.2	0	0	0	108.4	I157 T161	I157-H159 PolarHBondContact O-N 3.38Å; H159-T161 VanDerWaalsContact C-N 3.34Å; H159-T161 PolarHBondContact O-N 3.36Å
160	E	23.4	Very low	24.2	Very low	147 Å²	147	139.7 Å²	139.7	69%	0.687	78%	0.777	S	S	*	*			trans	-68.9	97.6	161.8	-80.9	-168.7	166.6	0	0	108.1	Q158 R162	Q158-E160 VanDerWaalsContact C-N 3.25Å; Q158-E160 PolarHBondContact O-N 3.06Å; E160-R162 PolarHBondContact O-N 3.06Å
161	T	22.6	Very low	24.3	Very low	129 Å²	129	141.8 Å²	141.8	79%	0.791	78%	0.778	S	S	*	*			trans	-61.2	83.2	159.3	25.3	0	0	0	0	108.9	H159 N163	H159-T161 VanDerWaalsContact C-N 3.34Å; H159-T161 PolarHBondContact O-N 3.36Å; T161-N163 VanDerWaalsContact C-N 3.34Å; T161-N163 PolarHBondContact O-N 3.12Å
162	R	24	Very low	24.4	Very low	213 Å²	213	142.1 Å²	142.1	80%	0.804	78%	0.78	S	S	*	*			trans	-71.4	95	162.9	-86.2	-174.6	179.6	-175.5	-1.2	108.9	E160 S164	E160-R162 PolarHBondContact O-N 3.06Å; R162-S164 PolarHBondContact O-N 2.81Å
163	N	23.1	Very low	24.4	Very low	162 Å²	162	142.7 Å²	142.7	87%	0.866	78%	0.779	S	S	*	*			trans	-61.9	105.6	154.1	-79.5	-18.8	0	0	0	108.1	T161	T161-N163 VanDerWaalsContact C-N 3.34Å; T161-N163 PolarHBondContact O-N 3.12Å
164	S	28.3	Very low	24.5	Very low	104 Å²	104	145 Å²	145	73%	0.727	78%	0.784	S	S	*	*			trans	-136.3	96.5	158.3	61.2	0	0	0	0	108.3	R162	R162-S164 PolarHBondContact O-N 2.81Å
165	S	23.1	Very low	24.6	Very low	103 Å²	103	147.5 Å²	147.5	72%	0.72	79%	0.787	S	S	*	*			trans	-54.3	152.5	160.6	44.8	0	0	0	0	111.6
166	D	26.3	Very low	24.6	Very low	133 Å²	133	151 Å²	151	71%	0.711	79%	0.792	S	S	*	*			trans	62.7	96.9	158.8	-60.8	-21.6	0	0	0	117.7
167	H	27.7	Very low	24.7	Very low	197 Å²	197	153.3 Å²	153.3	91%	0.912	80%	0.797	S	S	*	*				-153.5	100.3	123.7	-86.4	-55.2	0	0	0	109.2
168	S	24.4	Very low	24.6	Very low	101 Å²	101	152.4 Å²	152.4	71%	0.706	79%	0.794	S	S	*	*			trans	-55.2	138.6	169.9	-26.7	0	0	0	0	110.4	V170	S168-V170 PolarHBondContact O-N 3.42Å
169	P	26.8	Very low	24.7	Very low	117 Å²	117	151 Å²	151	76%	0.76	80%	0.797	S	S	*	*			trans	-73.4	126.8	-178.3	29.8	-31.6	0	0	0	110	I171	P169-I171 PolarHBondContact O-N 2.81Å; P169-I171 VanDerWaalsContact O-N 3.14Å
170	V	25.2	Very low	24.9	Very low	128 Å²	128	147.7 Å²	147.7	78%	0.776	79%	0.794	S	S	*	*			trans	-67	108.5	168.9	175.4	0	0	0	0	107.7	S168 V172	S168-V170 PolarHBondContact O-N 3.42Å; V170-V172 HydrophobicContact CG1-CG2 4.22Å; V170-V172 PolarHBondContact O-N 3.48Å
171	I	24.9	Very low	24.9	Very low	151 Å²	151	148.4 Å²	148.4	77%	0.774	80%	0.803	S	S	*	*			trans	-67.8	107	167.4	-63.3	168.7	0	0	0	106.3	P169 E173	P169-I171 PolarHBondContact O-N 2.81Å; P169-I171 VanDerWaalsContact O-N 3.14Å; I171-E173 PolarHBondContact O-N 3.5Å
172	V	25.8	Very low	25.2	Very low	127 Å²	127	147.5 Å²	147.5	77%	0.77	80%	0.802	S	S	*	*			trans	-85.2	108.7	168.1	178.9	0	0	0	0	106.7	V170	V170-V172 HydrophobicContact CG1-CG2 4.22Å; V170-V172 PolarHBondContact O-N 3.48Å
173	E	24.2	Very low	25.2	Very low	171 Å²	171	143.6 Å²	143.6	80%	0.799	80%	0.801	S	S	*	*			trans	-56.9	133.6	175.3	-83.8	175.4	141.8	0	0	111.5	I171 Q175	I171-E173 PolarHBondContact O-N 3.5Å; E173-Q175 PolarHBondContact O-N 3.21Å
174	Q	23.8	Very low	25.2	Very low	196 Å²	196	142.6 Å²	142.6	92%	0.916	80%	0.796	S	S	*	*			trans	-67.6	107.3	171.4	-68.9	172.8	-37	0	0	109.3
175	Q	25.5	Very low	25.2	Very low	182 Å²	182	143 Å²	143	85%	0.85	80%	0.799	S	S	*	*			trans	-85	110.9	163.4	-78.4	-177.9	-25.7	0	0	109	E173 L177	E173-Q175 PolarHBondContact O-N 3.21Å; Q175-L177 PolarHBondContact O-N 2.96Å
176	Q	22.5	Very low	25.2	Very low	179 Å²	179	146.2 Å²	146.2	84%	0.836	80%	0.803	S	S	*	*			trans	-51.6	126.8	159.5	-76.8	166.2	-85	0	0	109
177	L	26.1	Very low	25.3	Very low	167 Å²	167	146.2 Å²	146.2	87%	0.874	81%	0.807	S	S	*	*			trans	-119.2	112.8	164.9	-142.5	85.8	0	0	0	108.2	Q175	Q175-L177 PolarHBondContact O-N 2.96Å
178	D	24.8	Very low	25	Very low	141 Å²	141	142.8 Å²	142.8	75%	0.754	80%	0.801	S	S	*	*			trans	-60.9	133.4	-177.5	-71.1	-45.1	0	0	0	112.2	S180	D178-S180 PolarHBondContact O-N 2.85Å
179	T	22.9	Very low	25.2	Very low	141 Å²	141	146.7 Å²	146.7	87%	0.865	81%	0.808	S	S	*	*			trans	-65.7	121.1	168.6	46.8	0	0	0	0	109.8
180	S	26.7	Very low	25.2	Very low	112 Å²	112	146.3 Å²	146.3	78%	0.783	81%	0.807	S	S	*	*			trans	-126.9	125.8	166.5	49.8	0	0	0	0	110.6	D178	D178-S180 PolarHBondContact O-N 2.85Å
181	D	23.5	Very low	25.1	Very low	162 Å²	162	150.2 Å²	150.2	87%	0.866	82%	0.815	S	S	*	*			trans	-64.4	140.4	177.1	-65.2	-51.6	0	0	0	112.7
182	S	28.7	Very low	25.2	Very low	110 Å²	110	149.3 Å²	149.3	77%	0.769	82%	0.816	S	S	*	*			trans	-160.6	101	154.4	47.5	0	0	0	0	107.3
183	V	24.5	Very low	25.1	Very low	131 Å²	131	151 Å²	151	79%	0.794	82%	0.821	S	S	*	*				63.1	108.2	84.4	-176.7	0	0	0	0	114.2
184	D	23	Very low	25.3	Very low	141 Å²	141	148.4 Å²	148.4	75%	0.754	82%	0.821	S	S	*	*			trans	46.2	123.5	149.8	-84	-30.6	0	0	0	121.4
185	S	28.5	Very low	25.4	Very low	113 Å²	113	144.8 Å²	144.8	79%	0.79	81%	0.812	S	S	*	*			trans	-152.2	103	132	36.5	0	0	0	0	110.7
186	Q	23.4	Very low	25.5	Very low	170 Å²	170	145.6 Å²	145.6	79%	0.794	81%	0.813	S	S	*	*			trans	-67.1	124	164.9	-71.2	177.8	-20.9	0	0	109.4
187	V	27.9	Very low	25.5	Very low	134 Å²	134	145.2 Å²	145.2	81%	0.812	81%	0.811	S	S	*	*			trans	-109	109.6	164.5	179	0	0	0	0	107.7
188	T	22.2	Very low	25.5	Very low	125 Å²	125	144 Å²	144	77%	0.767	81%	0.811	S	S	*	*			trans	-96	118.4	171.3	19.6	0	0	0	0	107.4
189	E	28.5	Very low	25.5	Very low	183 Å²	183	142.6 Å²	142.6	86%	0.855	81%	0.808	S	S	*	*			trans	-141.5	143.4	158	-78.6	-161	161.8	0	0	111.7
190	S	26.2	Very low	25.8	Very low	108 Å²	108	143.3 Å²	143.3	76%	0.755	81%	0.806	S	S	*	*			trans	-91.9	140.3	-151	47.2	0	0	0	0	114
191	F	24.1	Very low	25.8	Very low	211 Å²	211	142.9 Å²	142.9	93%	0.925	80%	0.803	S	S	*	*			trans	-64	130.9	169	-76.6	-97.3	0	0	0	111.8
192	T	25.9	Very low	26	Very low	131 Å²	131	142 Å²	142	80%	0.804	80%	0.798	S	S	*	*			trans	-130.2	121.4	158.5	44.8	0	0	0	0	110.4
193	D	23.5	Very low	26	Very low	162 Å²	162	145.5 Å²	145.5	87%	0.866	80%	0.8	S	S	*	*			trans	-58.4	135.6	175.7	-96.6	-39.8	0	0	0	112.3
194	S	29.6	Very low	26.2	Very low	117 Å²	117	148.4 Å²	148.4	82%	0.818	80%	0.804	S	S	*	*			trans	-140.5	105.4	152.5	50.6	0	0	0	0	110.6
195	V	24.8	Very low	26.7	Very low	120 Å²	120	148.4 Å²	148.4	73%	0.727	80%	0.804	S	S	*	*			trans	-66.9	124.8	175.6	176.5	0	0	0	0	109.9
196	K	28.4	Very low	26.9	Very low	200 Å²	200	152.1 Å²	152.1	87%	0.87	81%	0.809	S	S	*	*			trans	-137	105.3	154.8	-80.7	-171.4	176.7	175.1	0	109.7
197	E	21.1	Very low	27.3	Very low	170 Å²	170	150 Å²	150	79%	0.794	80%	0.802	S	S	*	*			trans	-59.2	125.1	164.6	-76.8	173.1	128.4	0	0	110.5
198	V	26.9	Very low	27.5	Very low	142 Å²	142	148.2 Å²	148.2	86%	0.861	79%	0.793	S	S	*	*			trans	-138.5	104	145.8	-179.4	0	0	0	0	107.2
199	T	24.2	Very low	28.2	Very low	112 Å²	112	150 Å²	150	69%	0.687	79%	0.793	S	S	*	*			trans	-69.6	127.2	167.3	48.4	0	0	0	0	109.8
200	N	29.5	Very low	28.3	Very low	156 Å²	156	146.5 Å²	146.5	83%	0.834	79%	0.789	S	S	*	*			trans	-161.6	127.6	133.3	-94.5	-20.9	0	0	0	110.2
201	S	27.5	Very low	28.4	Very low	102 Å²	102	145.5 Å²	145.5	71%	0.713	77%	0.774	S	S	*	*			trans	-56.9	129.5	-179.7	49.5	0	0	0	0	113.1
202	D	28.2	Very low	29.2	Very low	143 Å²	143	141.9 Å²	141.9	77%	0.765	77%	0.769	S	S	*	*			trans	-162.9	128	150.4	-92.2	-31.8	0	0	0	111.4
203	F	28.3	Very low	29.6	Very low	185 Å²	185	142.8 Å²	142.8	81%	0.811	76%	0.759	S	S	*	*			trans	42.9	92.3	155.8	-66.8	-91.2	0	0	0	119.2	D205	F203-D205 PolarHBondContact O-N 3.29Å
204	H	29.3	Very low	30.7	Very low	191 Å²	191	138.9 Å²	138.9	88%	0.884	74%	0.737	S	S	*	*			trans	-82.5	87.1	160.2	-74.4	-73.3	0	0	0	110.1
205	D	33.7	Very low	31.6	Very low	141 Å²	141	138.4 Å²	138.4	75%	0.754	72%	0.72	S	S	*	*			trans	-77	119.3	152.1	-82.8	-26.8	0	0	0	107.1	F203 I207	F203-D205 PolarHBondContact O-N 3.29Å; D205-I207 PolarHBondContact O-N 3.21Å
206	E	32.3	Very low	32.9	Very low	192 Å²	192	134.8 Å²	134.8	90%	0.897	70%	0.7	S	S	*	*			trans	-59.2	104.1	-178.9	-71.4	178.6	159.8	0	0	110.7
207	I	31.5	Very low	34.2	Very low	125 Å²	125	132.1 Å²	132.1	64%	0.641	69%	0.69	S	S	*	*			trans	-76.4	122.3	174.5	-58.3	175.6	0	0	0	108.1	D205 L211	D205-I207 PolarHBondContact O-N 3.21Å; I207-L211 HydrophobicContact CG2-CD1 3.2Å; I207-L211 HydrophobicContact CG2-CG 4.33Å
208	P	32.8	Very low	35.8	Very low	97 Å²	97	129.5 Å²	129.5	63%	0.63	68%	0.682	S	S	*	*			trans	-65.7	136.4	-175.5	-19.1	31	0	0	0	112.7	S210	P208-S210 PolarHBondContact O-N 2.86Å
209	E	35.3	Very low	37.3	Very low	162 Å²	162	127.3 Å²	127.3	76%	0.757	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	17.5	-168.9	-61.6	-172.4	133.4	0	0	116.9	K532	E209-K532 IonicContact OE1-NZ 3.13Å; E209-K532 PolarHBondContact OE1-NZ 2.86Å; E209-K532 WeakPolarHBondContact OE2-CE 3.42Å; E209-K532 IonicContact OE2-NZ 2.64Å; E209-K532 PolarHBondContact OE2-NZ 3.03Å
210	S	30.5	Very low	39.6	Very low	110 Å²	110	129 Å²	129	77%	0.769	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	22.9	177.2	63.5	0	0	0	0	114.5	P208 V212	P208-S210 PolarHBondContact O-N 2.86Å; S210-V212 PolarHBondContact O-N 2.81Å
211	L	29.4	Very low	42.1	Very low	86 Å²	86	123.5 Å²	123.5	45%	0.45	63%	0.634	S	S	.	*			trans	-77.6	102.8	171.2	-71.1	173.5	0	0	0	110.8	I207 Y213	I207-L211 HydrophobicContact CG2-CD1 3.2Å; I207-L211 HydrophobicContact CG2-CG 4.33Å; L211-Y213 VanDerWaalsContact C-N 3.29Å; L211-Y213 PolarHBondContact O-N 3.3Å
212	V	39.7	Very low	44.9	Very low	135 Å²	135	119 Å²	119	82%	0.818	60%	0.602	S	S	*	*			trans	-71.7	95.2	153.6	-177.6	0	0	0	0	106.3	S210 I214	S210-V212 PolarHBondContact O-N 2.81Å; V212-I214 PolarHBondContact O-N 2.79Å; V212-I214 VanDerWaalsContact O-N 3.1Å
213	Y	34.2	Very low	47.9	Very low	150 Å²	150	116.6 Å²	116.6	59%	0.588	60%	0.597	S	S	*	*			trans	-70.4	101.5	176.6	-172.5	-97.7	0	0	0	108.8	L211 K215	L211-Y213 VanDerWaalsContact C-N 3.29Å; L211-Y213 PolarHBondContact O-N 3.3Å; Y213-K215 HydrophobicContact CD1-CG 3.84Å; Y213-K215 HydrophobicContact CE1-CB 4.38Å; Y213-K215 HydrophobicContact CE1-CG 3.9Å; Y213-K215 PolarHBondContact O-N 3.41Å
214	I	48.1	Very low	51.1	Low	80 Å²	80	111.3 Å²	111.3	41%	0.41	58%	0.575	S	S	.	*			trans	-70.2	108.9	165.8	-56	171.8	0	0	0	105.7	V212 P216	V212-I214 PolarHBondContact O-N 2.79Å; V212-I214 VanDerWaalsContact O-N 3.1Å; I214-P216 VanDerWaalsContact O-CD 3.28Å; I214-P216 WeakPolarHBondContact O-CD 3.5Å
215	K	48.3	Very low	54.3	Low	107 Å²	107	102.3 Å²	102.3	47%	0.465	53%	0.533	S	S	.	.			trans	-60.6	119.1	174.9	-70.8	-176.2	179.6	177.9	0	108.4	Y213 E217 D218	Y213-K215 HydrophobicContact CD1-CG 3.84Å; Y213-K215 HydrophobicContact CE1-CB 4.38Å; Y213-K215 HydrophobicContact CE1-CG 3.9Å; Y213-K215 PolarHBondContact O-N 3.41Å; K215-E217 HydrophobicContact CB-CG 4.19Å; K215-E217 PolarHBondContact O-N 3.02Å; K215-E217 VanDerWaalsContact O-N 3.15Å; K215-D218 HydrophobicContact CB-CB 4.39Å; K215-D218 WeakPolarHBondContact CB-OD2 3.37Å; K215-D218 WeakPolarHBondContact CD-OD2 3.23Å; K215-D218 PolarHBondContact O-N 3.14Å
216	P	52.6	Low	57.3	Low	45 Å²	45	97 Å²	97	29%	0.292	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-58.6	-29.6	-176.5	-23.9	33.4	0	0	0	113.1	I214 D218 R359	I214-P216 VanDerWaalsContact O-CD 3.28Å; I214-P216 WeakPolarHBondContact O-CD 3.5Å; P216-D218 VanDerWaalsContact C-N 3.3Å; P216-D218 PolarHBondContact O-N 3.2Å; P216-R359 HydrophobicContact CB-CG 4.36Å
217	E	54.3	Low	60.4	Low	143 Å²	143	87.9 Å²	87.9	67%	0.668	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-67.8	-19.7	177.1	52.2	-101.3	-160.6	0	0	115.4	K215	K215-E217 HydrophobicContact CB-CG 4.19Å; K215-E217 PolarHBondContact O-N 3.02Å; K215-E217 VanDerWaalsContact O-N 3.15Å
218	D	55.9	Low	63.6	Low	116 Å²	116	82 Å²	82	62%	0.62	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-86.2	-12.1	-171.2	-68.8	-20	0	0	0	113.6	K215 P216	K215-D218 HydrophobicContact CB-CB 4.39Å; K215-D218 WeakPolarHBondContact CB-OD2 3.37Å; K215-D218 WeakPolarHBondContact CD-OD2 3.23Å; K215-D218 PolarHBondContact O-N 3.14Å; P216-D218 VanDerWaalsContact C-N 3.3Å; P216-D218 PolarHBondContact O-N 3.2Å
219	E	58.6	Low	66.7	Low	96 Å²	96	77.3 Å²	77.3	45%	0.449	40%	0.403	S	S	.	.	S	Bend	trans	-129.1	128.7	177.2	-74.5	-174.3	154.9	0	0	112.2	F221 R359	E219-F221 PolarHBondContact O-N 3.32Å; E219-R359 IonicContact OE2-CZ 3.78Å; E219-R359 IonicContact OE2-NH1 2.85Å; E219-R359 IonicContact OE2-NH2 2.72Å; E219-R359 PolarHBondContact OE2-NH2 2.92Å
220	I	71.1	Confident	69.6	Low	148 Å²	148	70.2 Å²	70.2	76%	0.759	37%	0.37	S	S	*	.			trans	-64.3	102.9	175.8	-60	168.4	0	0	0	108.8	E325	I220-E325 WeakPolarHBondContact O-CA 3.27Å; I220-E325 WeakPolarHBondContact O-CB 3.42Å; I220-E325 WeakPolarHBondContact O-CG 3.47Å
221	F	82.3	Confident	72.7	Confident	40 Å²	40	65.5 Å²	65.5	18%	0.175	34%	0.34	C	S	.	.			trans	-121.3	140.4	-176.7	-161	-84	0	0	0	111.3	E219 S223 L253 P324 M338 R359 I361	E219-F221 PolarHBondContact O-N 3.32Å; F221-S223 PolarHBondContact O-N 3.49Å; F221-L253 HydrophobicContact CZ-CD2 4.47Å; F221-P324 HydrophobicContact CD2-CB 4.2Å; F221-P324 HydrophobicContact CE2-CB 3.41Å; F221-P324 VanDerWaalsContact CE2-CB 3.41Å; F221-P324 HydrophobicContact CE2-CG 4.14Å; F221-P324 HydrophobicContact CZ-CB 3.79Å; F221-M338 HydrophobicContact CE2-SD 3.72Å; F221-M338 HydrophobicContact CZ-SD 3.41Å; F221-M338 WeakPolarHBondContact CZ-SD 3.28Å; F221-R359 VanDerWaalsContact CD2-NH1 3.32Å; F221-I361 HydrophobicContact CD1-CD1 4.39Å; F221-I361 HydrophobicContact CD1-CG1 4.41Å; F221-I361 HydrophobicContact CE1-CD1 3.4Å; F221-I361 HydrophobicContact CE1-CG1 3.83Å; F221-I361 HydrophobicContact CZ-CD1 4.03Å
222	P	87	Confident	75.7	Confident	7 Å²	7	62 Å²	62	5%	0.045	32%	0.323	C	S	.	.			trans	-65	124.1	-178.3	25.5	-35.7	0	0	0	112.2	H224 V225 P324	P222-H224 VanDerWaalsContact C-N 3.31Å; P222-V225 HydrophobicContact CB-CG2 3.93Å; P222-V225 HydrophobicContact CG-CG2 3.99Å; P222-P324 WeakPolarHBondContact CD-O 3.34Å
223	S	90.7	Very high	78.2	Confident	92 Å²	92	57.1 Å²	57.1	64%	0.643	30%	0.3	S	S	*	.	S	Bend	trans	-77.2	-18	173.6	58.3	0	0	0	0	113.6	F221 T362	F221-S223 PolarHBondContact O-N 3.49Å; S223-T362 PolarHBondContact O-N 3.43Å; S223-T362 PolarHBondContact O-OG1 2.86Å
224	H	95.9	Very high	81	Confident	75 Å²	75	50.8 Å²	50.8	35%	0.347	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	134.6	178	-178.4	78	0	0	0	111.1	P222 T362 D364	P222-H224 VanDerWaalsContact C-N 3.31Å; H224-T362 WeakPolarHBondContact CA-O 3.45Å; H224-T362 WeakPolarHBondContact CA-OG1 3.43Å; H224-T362 VanDerWaalsContact CB-OG1 3.27Å; H224-T362 WeakPolarHBondContact CB-OG1 3.41Å; H224-T362 PolarHBondContact ND1-O 3.41Å; H224-T362 PolarHBondContact ND1-OG1 3.09Å; H224-D364 IonicContact CE1-OD1 3.55Å; H224-D364 IonicContact NE2-OD1 3.94Å; H224-D364 IonicContact NE2-OD2 2.75Å
225	V	96.3	Very high	83.3	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	126	172.6	-175.3	0	0	0	0	109.4	P222 Y227 I228 L253 L327 I361 T362 Y363	P222-V225 HydrophobicContact CB-CG2 3.93Å; P222-V225 HydrophobicContact CG-CG2 3.99Å; V225-Y227 VanDerWaalsContact C-N 3.34Å; V225-Y227 WeakPolarHBondContact CG1-O 3.36Å; V225-Y227 PolarHBondContact O-N 3.08Å; V225-I228 HydrophobicContact CB-CG1 4.27Å; V225-L253 HydrophobicContact CB-CB 4.31Å; V225-L253 HydrophobicContact CG1-CB 3.85Å; V225-L253 HydrophobicContact CG2-CB 4.2Å; V225-L253 HydrophobicContact CG2-CD2 4.29Å; V225-L327 HydrophobicContact CG1-CD2 3.69Å; V225-L327 HydrophobicContact CG2-CD2 4.06Å; V225-I361 HydrophobicContact CB-CG2 4.48Å; V225-I361 HydrophobicContact CG2-CG2 4.05Å; V225-T362 PolarHBondContact N-O 3Å; V225-Y363 WeakPolarHBondContact O-CA 3.41Å; V225-Y363 WeakPolarHBondContact O-CB 3.39Å
226	P	96	Very high	85.7	Confident	29 Å²	29	42.1 Å²	42.1	19%	0.188	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	-45.6	-176	-27.8	34.8	0	0	0	113.7	R251 D364 R365	P226-R251 HydrophobicContact CG-CB 4.45Å; P226-D364 WeakPolarHBondContact O-CA 3.35Å; P226-D364 WeakPolarHBondContact O-CB 3.42Å; P226-D364 PolarHBondContact O-N 3.29Å; P226-R365 PolarHBondContact O-N 2.97Å
227	Y	98.2	Very high	87.7	Confident	1 Å²	1	40 Å²	40	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	120.2	-179.8	-59.4	-80	0	0	0	110.8	V225 I243 R251 I252 L253 R365 M646 V647 L650	V225-Y227 VanDerWaalsContact C-N 3.34Å; V225-Y227 WeakPolarHBondContact CG1-O 3.36Å; V225-Y227 PolarHBondContact O-N 3.08Å; Y227-I243 HydrophobicContact CD1-CD1 4.18Å; Y227-I243 HydrophobicContact CD1-CG2 4.31Å; Y227-I243 HydrophobicContact CD2-CG2 3.97Å; Y227-I243 HydrophobicContact CE1-CG2 4.31Å; Y227-I243 HydrophobicContact CE2-CG2 3.96Å; Y227-I243 HydrophobicContact CG-CD1 4.38Å; Y227-I243 HydrophobicContact CG-CG2 4.14Å; Y227-R251 PolarHBondContact N-O 2.79Å; Y227-I252 HydrophobicContact CD2-CG1 4.32Å; Y227-I252 HydrophobicContact CG-CG1 4.42Å; Y227-I252 WeakPolarHBondContact O-CA 3.46Å; Y227-L253 PolarHBondContact O-N 3.36Å; Y227-R365 WeakPolarHBondContact CA-O 3.38Å; Y227-R365 HydrophobicContact CD1-CB 3.96Å; Y227-R365 HydrophobicContact CE1-CB 4.24Å; Y227-R365 HydrophobicContact CE1-CG 4.33Å; Y227-M646 HydrophobicContact CD1-CB 4.48Å; Y227-M646 HydrophobicContact CD1-CE 4.12Å; Y227-M646 HydrophobicContact CE1-CB 4.32Å; Y227-V647 HydrophobicContact CE1-CG2 4.34Å; Y227-L650 VanDerWaalsContact OH-CD2 3.25Å; Y227-L650 WeakPolarHBondContact OH-CD2 3.37Å
228	I	98.1	Very high	89.8	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	134.4	171.6	-68.9	-172.7	0	0	0	109.2	V225 V230 I255 I353 I361 Y363 R365 C366 L367	V225-I228 HydrophobicContact CB-CG1 4.27Å; I228-V230 HydrophobicContact CG2-CG2 4.07Å; I228-I255 HydrophobicContact CG2-CD1 4.2Å; I228-I353 HydrophobicContact CD1-CD1 3.67Å; I228-I353 HydrophobicContact CD1-CG1 3.71Å; I228-I353 HydrophobicContact CG2-CD1 3.95Å; I228-I353 HydrophobicContact CG2-CG2 4.49Å; I228-I361 HydrophobicContact CD1-CB 4.2Å; I228-I361 HydrophobicContact CD1-CG2 3.79Å; I228-Y363 HydrophobicContact CD1-CD1 3.99Å; I228-Y363 HydrophobicContact CD1-CG 4.22Å; I228-R365 PolarHBondContact N-O 3.49Å; I228-C366 CarbonylContact O-C 3.55Å; I228-C366 VanDerWaalsContact O-CA 3.31Å; I228-C366 WeakPolarHBondContact O-CA 3.41Å; I228-L367 PolarHBondContact O-N 3.44Å
229	I	98.4	Very high	91.8	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	114	173.6	-57.3	176.4	0	0	0	108.2	A239 A240 I243 I252 L253 L254 I255 L367 A369	I229-A239 HydrophobicContact CD1-CB 4.09Å; I229-A240 HydrophobicContact CD1-CB 3.85Å; I229-I243 HydrophobicContact CD1-CD1 4.18Å; I229-I252 HydrophobicContact CD1-CG2 3.67Å; I229-I252 HydrophobicContact CG1-CG2 4.07Å; I229-L253 PolarHBondContact N-O 2.85Å; I229-L254 HydrophobicContact CB-CD1 3.65Å; I229-L254 HydrophobicContact CD1-CD1 4.43Å; I229-L254 HydrophobicContact CG2-CD1 3.43Å; I229-L254 VanDerWaalsContact CG2-CD1 3.43Å; I229-I255 PolarHBondContact O-N 2.84Å; I229-L367 HydrophobicContact CB-CB 4.49Å; I229-L367 HydrophobicContact CG1-CB 4.18Å; I229-L367 HydrophobicContact CG1-CD2 4.37Å; I229-L367 HydrophobicContact CG2-CB 4.33Å; I229-L367 HydrophobicContact CG2-CD2 4Å; I229-L367 HydrophobicContact CG2-CG 4.33Å; I229-A369 HydrophobicContact CG2-CB 4.33Å
230	V	96.7	Very high	93.7	Very high	12 Å²	12	24.4 Å²	24.4	7%	0.073	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	104.5	177.5	-171.6	0	0	0	0	108.8	I228 V343 L367 L368 A369 T370 L582	I228-V230 HydrophobicContact CG2-CG2 4.07Å; V230-V343 HydrophobicContact CG1-CB 4Å; V230-V343 HydrophobicContact CG1-CG2 3.84Å; V230-V343 HydrophobicContact CG2-CG2 3.92Å; V230-L367 PolarHBondContact N-O 2.8Å; V230-L368 HydrophobicContact CB-CD2 4.08Å; V230-L368 HydrophobicContact CG2-CD2 4.08Å; V230-A369 CarbonylContact O-C 3.58Å; V230-A369 VanDerWaalsContact O-CA 3.29Å; V230-A369 WeakPolarHBondContact O-CA 3.15Å; V230-A369 PolarHBondContact O-N 2.82Å; V230-T370 HydrophobicContact CG1-CG2 3.97Å; V230-T370 PolarHBondContact O-N 3.43Å; V230-L582 HydrophobicContact CG1-CD1 4.17Å
231	G	94.3	Very high	94.9	Very high	12 Å²	12	21.9 Å²	21.9	12%	0.124	13%	0.132	C	C	.	.			trans	116.8	113	-177.9	0	0	0	0	0	112.3	G233 I255	G231-G233 VanDerWaalsContact C-N 3.29Å; G231-G233 PolarHBondContact O-N 2.77Å; G231-I255 CarbonylContact C-O 3.56Å; G231-I255 VanDerWaalsContact CA-O 3.27Å; G231-I255 WeakPolarHBondContact CA-O 3.19Å; G231-I255 PolarHBondContact N-O 3.38Å
232	A	92.6	Very high	95.6	Very high	11 Å²	11	20.3 Å²	20.3	9%	0.091	13%	0.127	C	C	.	.			trans	-91.5	35	-179.4	0	0	0	0	0	113.5	L254 I255 P279 L337	A232-L254 HydrophobicContact CB-CD1 4.38Å; A232-L254 HydrophobicContact CB-CD2 4.06Å; A232-L254 HydrophobicContact CB-CG 3.92Å; A232-I255 PolarHBondContact N-O 2.93Å; A232-P279 HydrophobicContact CB-CG 4.15Å; A232-P279 WeakPolarHBondContact O-CB 3.33Å; A232-P279 VanDerWaalsContact O-CG 3.27Å; A232-P279 WeakPolarHBondContact O-CG 3.42Å; A232-L337 HydrophobicContact CB-CD1 3.89Å
233	G	92.3	Very high	96.1	Very high	34 Å²	34	20 Å²	20	35%	0.351	13%	0.125	S	C	.	.	S	Bend	trans	-87.8	-170.4	174.6	0	0	0	0	0	113.4	G231 A235 G236 M237	G231-G233 VanDerWaalsContact C-N 3.29Å; G231-G233 PolarHBondContact O-N 2.77Å; G233-A235 VanDerWaalsContact C-N 3.3Å; G233-A235 PolarHBondContact O-N 3.38Å; G233-G236 PolarHBondContact O-N 3.24Å; G233-G236 VanDerWaalsContact O-N 3.15Å; G233-M237 PolarHBondContact O-N 2.83Å
234	A	93.6	Very high	96.3	Very high	16 Å²	16	18.8 Å²	18.8	13%	0.132	11%	0.106	C	C	.	.	H	α-helix	trans	-53.7	-43.1	177.1	0	0	0	0	0	113.1	S238 Y315 L632 A635 E636	A234-S238 WeakPolarHBondContact O-CB 3.33Å; A234-S238 PolarHBondContact O-N 2.72Å; A234-Y315 HydrophobicContact CB-CE2 4.24Å; A234-Y315 WeakPolarHBondContact CB-OH 3.19Å; A234-L632 HydrophobicContact CB-CD1 3.45Å; A234-L632 VanDerWaalsContact CB-CD1 3.45Å; A234-A635 HydrophobicContact CB-CB 4.23Å; A234-E636 HydrophobicContact CB-CG 4.14Å
235	A	96.6	Very high	96.3	Very high	6 Å²	6	19.1 Å²	19.1	5%	0.05	12%	0.122	C	C	.	.	H	α-helix	trans	-64.1	-45.6	177.4	0	0	0	0	0	112.7	G233 S238 A239 A369 A612 A635 G639	G233-A235 VanDerWaalsContact C-N 3.3Å; G233-A235 PolarHBondContact O-N 3.38Å; A235-S238 PolarHBondContact O-N 3.48Å; A235-A239 WeakPolarHBondContact O-CB 3.39Å; A235-A239 PolarHBondContact O-N 2.98Å; A235-A369 HydrophobicContact CB-CB 4.13Å; A235-A612 HydrophobicContact CB-CB 4.13Å; A235-A635 WeakPolarHBondContact CA-O 3.37Å; A235-A635 HydrophobicContact CB-CB 4.1Å; A235-A635 WeakPolarHBondContact CB-O 3.21Å; A235-G639 WeakPolarHBondContact O-CA 3.48Å
236	G	97.3	Very high	96.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65.9	-42.6	179.9	0	0	0	0	0	112.6	G233 A239 A240	G233-G236 PolarHBondContact O-N 3.24Å; G233-G236 VanDerWaalsContact O-N 3.15Å; G236-A239 PolarHBondContact O-N 3.49Å; G236-A240 WeakPolarHBondContact O-CB 3.45Å; G236-A240 PolarHBondContact O-N 3.07Å
237	M	96.3	Very high	96	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-67.7	-41.6	177.1	-168.6	64.4	-149.8	0	0	112.2	G233 A239 A240 R241 L254 P279 Y315 E316 F320 F321	G233-M237 PolarHBondContact O-N 2.83Å; M237-A239 VanDerWaalsContact C-N 3.31Å; M237-A239 PolarHBondContact O-N 3.35Å; M237-A240 PolarHBondContact O-N 3.18Å; M237-R241 HydrophobicContact CE-CG 3.9Å; M237-R241 PolarHBondContact O-N 2.92Å; M237-L254 HydrophobicContact SD-CD2 4.27Å; M237-P279 HydrophobicContact CB-CB 3.84Å; M237-P279 HydrophobicContact CB-CG 4.25Å; M237-P279 HydrophobicContact CG-CB 4.02Å; M237-P279 HydrophobicContact CG-CG 4.4Å; M237-P279 HydrophobicContact SD-CB 4.27Å; M237-P279 HydrophobicContact SD-CG 4.04Å; M237-Y315 HydrophobicContact CB-CD2 4.2Å; M237-Y315 HydrophobicContact CG-CD2 4.03Å; M237-Y315 HydrophobicContact CG-CG 4.05Å; M237-E316 HydrophobicContact CE-CG 3.59Å; M237-F320 HydrophobicContact CE-CE1 3.85Å; M237-F320 HydrophobicContact CE-CZ 4.28Å; M237-F321 HydrophobicContact CE-CE1 4.32Å; M237-F321 HydrophobicContact CE-CZ 4.45Å; M237-F321 HydrophobicContact SD-CE1 3.91Å; M237-F321 HydrophobicContact SD-CZ 3.98Å
238	S	97.2	Very high	95.7	Very high	26 Å²	26	24.1 Å²	24.1	18%	0.182	15%	0.154	C	C	.	.	H	α-helix	trans	-63.3	-39.6	176.6	-160	0	0	0	0	111.4	A234 A235 S242 E636	A234-S238 WeakPolarHBondContact O-CB 3.33Å; A234-S238 PolarHBondContact O-N 2.72Å; A235-S238 PolarHBondContact O-N 3.48Å; S238-S242 VanDerWaalsContact O-CB 3.26Å; S238-S242 WeakPolarHBondContact O-CB 3.24Å; S238-S242 PolarHBondContact O-N 2.93Å; S238-E636 WeakPolarHBondContact CB-O 3.3Å; S238-E636 PolarHBondContact OG-O 2.88Å
239	A	98.3	Very high	95.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63	-47.2	171.8	0	0	0	0	0	112.3	I229 A235 G236 M237 R241 S242 I243 L367 G639	I229-A239 HydrophobicContact CD1-CB 4.09Å; A235-A239 WeakPolarHBondContact O-CB 3.39Å; A235-A239 PolarHBondContact O-N 2.98Å; G236-A239 PolarHBondContact O-N 3.49Å; M237-A239 VanDerWaalsContact C-N 3.31Å; M237-A239 PolarHBondContact O-N 3.35Å; A239-R241 VanDerWaalsContact C-N 3.33Å; A239-R241 PolarHBondContact O-N 3.27Å; A239-S242 PolarHBondContact O-N 3.4Å; A239-S242 VanDerWaalsContact O-N 3.14Å; A239-I243 VanDerWaalsContact O-CG1 3.26Å; A239-I243 WeakPolarHBondContact O-CG1 3.33Å; A239-I243 PolarHBondContact O-N 3.15Å; A239-L367 HydrophobicContact CB-CD2 3.21Å; A239-G639 WeakPolarHBondContact CA-O 3.21Å; A239-G639 WeakPolarHBondContact CB-O 3.42Å
240	A	98.1	Very high	95.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57.5	-45.7	178.6	0	0	0	0	0	111.9	I229 G236 M237 S242 I243 R244 I252 V335	I229-A240 HydrophobicContact CD1-CB 3.85Å; G236-A240 WeakPolarHBondContact O-CB 3.45Å; G236-A240 PolarHBondContact O-N 3.07Å; M237-A240 PolarHBondContact O-N 3.18Å; A240-S242 PolarHBondContact O-N 2.84Å; A240-I243 PolarHBondContact O-N 2.88Å; A240-R244 WeakPolarHBondContact O-CG 3.26Å; A240-R244 PolarHBondContact O-N 3.33Å; A240-I252 HydrophobicContact CB-CD1 4.42Å; A240-I252 HydrophobicContact CB-CG2 4.34Å; A240-I252 WeakPolarHBondContact O-CD1 3.37Å; A240-V335 HydrophobicContact CB-CG1 4.28Å; A240-V335 HydrophobicContact CB-CG2 4.2Å
241	R	96.6	Very high	95.3	Very high	95 Å²	95	32.2 Å²	32.2	36%	0.358	19%	0.193	S	C	.	.	H	α-helix	trans	-61.3	-44.2	175.1	-75	179.5	170	168.1	-5.7	112.2	M237 A239 R244 A245 Y315 E316	M237-R241 HydrophobicContact CE-CG 3.9Å; M237-R241 PolarHBondContact O-N 2.92Å; A239-R241 VanDerWaalsContact C-N 3.33Å; A239-R241 PolarHBondContact O-N 3.27Å; R241-R244 PolarHBondContact O-N 3.27Å; R241-A245 WeakPolarHBondContact O-CB 3.49Å; R241-A245 PolarHBondContact O-N 2.95Å; R241-Y315 VanDerWaalsContact NH1-CD1 3.27Å; R241-Y315 PolarHBondContact NH2-O 3.15Å; R241-E316 IonicContact CZ-OE1 2.98Å; R241-E316 IonicContact NE-OE1 3.95Å; R241-E316 PolarHBondContact NE-OE1 2.96Å; R241-E316 IonicContact NH2-OE1 3.87Å; R241-E316 PolarHBondContact NH2-OE1 3.46Å
242	S	96.9	Very high	95.5	Very high	8 Å²	8	31.6 Å²	31.6	6%	0.056	19%	0.188	C	C	.	.	H	α-helix	trans	-66.4	-38	-179.1	-169.5	0	0	0	0	112.8	S238 A239 A240 A245 S246 S640 K644	S238-S242 VanDerWaalsContact O-CB 3.26Å; S238-S242 WeakPolarHBondContact O-CB 3.24Å; S238-S242 PolarHBondContact O-N 2.93Å; A239-S242 PolarHBondContact O-N 3.4Å; A239-S242 VanDerWaalsContact O-N 3.14Å; A240-S242 PolarHBondContact O-N 2.84Å; S242-A245 PolarHBondContact O-N 3.31Å; S242-S246 WeakPolarHBondContact O-CB 3.25Å; S242-S246 PolarHBondContact O-N 3.29Å; S242-S246 VanDerWaalsContact O-N 3.11Å; S242-S246 PolarHBondContact O-OG 3.04Å; S242-S640 VanDerWaalsContact CB-O 3.32Å; S242-S640 WeakPolarHBondContact CB-O 3.31Å; S242-S640 PolarHBondContact OG-O 2.93Å; S242-K644 VanDerWaalsContact OG-CG 3.23Å; S242-K644 WeakPolarHBondContact OG-CG 3.43Å
243	I	97.4	Very high	95.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.8	-51.1	171.6	-65.5	164.4	0	0	0	109.6	Y227 I229 A239 A240 A245 S246 D247 I252 G643 M646 V647	Y227-I243 HydrophobicContact CD1-CD1 4.18Å; Y227-I243 HydrophobicContact CD1-CG2 4.31Å; Y227-I243 HydrophobicContact CD2-CG2 3.97Å; Y227-I243 HydrophobicContact CE1-CG2 4.31Å; Y227-I243 HydrophobicContact CE2-CG2 3.96Å; Y227-I243 HydrophobicContact CG-CD1 4.38Å; Y227-I243 HydrophobicContact CG-CG2 4.14Å; I229-I243 HydrophobicContact CD1-CD1 4.18Å; A239-I243 VanDerWaalsContact O-CG1 3.26Å; A239-I243 WeakPolarHBondContact O-CG1 3.33Å; A239-I243 PolarHBondContact O-N 3.15Å; A240-I243 PolarHBondContact O-N 2.88Å; I243-A245 VanDerWaalsContact C-N 3.28Å; I243-A245 PolarHBondContact O-N 2.85Å; I243-S246 CarbonylContact O-C 3.56Å; I243-S246 PolarHBondContact O-N 2.89Å; I243-D247 PolarHBondContact O-N 3.2Å; I243-I252 HydrophobicContact CB-CD1 3.87Å; I243-I252 HydrophobicContact CG2-CD1 3.7Å; I243-I252 HydrophobicContact CG2-CG1 4.05Å; I243-G643 WeakPolarHBondContact CG1-O 3.41Å; I243-M646 HydrophobicContact CD1-CE 4.33Å; I243-M646 HydrophobicContact CD1-SD 3.96Å; I243-V647 HydrophobicContact CB-CG2 4.12Å; I243-V647 HydrophobicContact CG1-CG2 4.08Å; I243-V647 HydrophobicContact CG2-CG2 3.78Å
244	R	95.6	Very high	96	Very high	67 Å²	67	29.5 Å²	29.5	25%	0.253	17%	0.166	S	C	.	.	H	α-helix	trans	-59.5	-36.1	178	-72	-68.2	-58.8	158.8	9.4	113.2	A240 R241 S246 D247 P248 S250 I252 Y332 V335	A240-R244 WeakPolarHBondContact O-CG 3.26Å; A240-R244 PolarHBondContact O-N 3.33Å; R241-R244 PolarHBondContact O-N 3.27Å; R244-S246 VanDerWaalsContact C-N 3.32Å; R244-D247 CarbonylContact O-C 3.59Å; R244-D247 VanDerWaalsContact O-C 3.31Å; R244-P248 VanDerWaalsContact NH1-C 3.27Å; R244-P248 PolarHBondContact NH1-O 3.16Å; R244-P248 PolarHBondContact NH2-O 2.94Å; R244-P248 WeakPolarHBondContact O-CA 3.14Å; R244-S250 WeakPolarHBondContact CD-OG 3.4Å; R244-S250 PolarHBondContact NH1-O 3.41Å; R244-I252 HydrophobicContact CG-CD1 3.68Å; R244-Y332 PolarHBondContact NH1-O 3.42Å; R244-Y332 PolarHBondContact NH2-O 3.45Å; R244-V335 HydrophobicContact CG-CG2 4.03Å
245	A	95.1	Very high	96	Very high	82 Å²	82	28.8 Å²	28.8	68%	0.678	16%	0.16	S	C	*	.	H	α-helix	trans	-69.4	-31.4	177.1	0	0	0	0	0	112.4	R241 S242 I243	R241-A245 WeakPolarHBondContact O-CB 3.49Å; R241-A245 PolarHBondContact O-N 2.95Å; S242-A245 PolarHBondContact O-N 3.31Å; I243-A245 VanDerWaalsContact C-N 3.28Å; I243-A245 PolarHBondContact O-N 2.85Å
246	S	92.9	Very high	95.6	Very high	34 Å²	34	28.8 Å²	28.8	24%	0.238	16%	0.16	C	C	.	.	H	α-helix	trans	-89.9	-32.3	-179.6	-52.8	0	0	0	0	112.7	S242 I243 R244	S242-S246 WeakPolarHBondContact O-CB 3.25Å; S242-S246 PolarHBondContact O-N 3.29Å; S242-S246 VanDerWaalsContact O-N 3.11Å; S242-S246 PolarHBondContact O-OG 3.04Å; I243-S246 CarbonylContact O-C 3.56Å; I243-S246 PolarHBondContact O-N 2.89Å; R244-S246 VanDerWaalsContact C-N 3.32Å
247	D	93.2	Very high	94.1	Very high	19 Å²	19	30 Å²	30	10%	0.102	17%	0.173	C	C	.	.			trans	-134.3	92.9	176	174.9	4.3	0	0	0	109.2	I243 R244 T249 S250 V647 F651	I243-D247 PolarHBondContact O-N 3.2Å; R244-D247 CarbonylContact O-C 3.59Å; R244-D247 VanDerWaalsContact O-C 3.31Å; D247-T249 PolarHBondContact O-N 3.11Å; D247-T249 VanDerWaalsContact O-N 3.09Å; D247-T249 PolarHBondContact OD1-N 2.89Å; D247-T249 PolarHBondContact OD1-OG1 3.46Å; D247-S250 VanDerWaalsContact O-CB 3.29Å; D247-S250 WeakPolarHBondContact O-CB 3.47Å; D247-S250 PolarHBondContact O-N 3.15Å; D247-S250 VanDerWaalsContact O-N 3.11Å; D247-S250 PolarHBondContact O-OG 2.68Å; D247-S250 PolarHBondContact OD1-N 3.44Å; D247-S250 VanDerWaalsContact OD1-N 3.15Å; D247-S250 WeakPolarHBondContact OD2-CB 3.49Å; D247-V647 HydrophobicContact CB-CG1 4.44Å; D247-F651 HydrophobicContact CB-CE2 4.35Å
248	P	92.7	Very high	92.3	Very high	83 Å²	83	30.4 Å²	30.4	54%	0.539	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-4.8	179.8	-22.7	34.5	0	0	0	115.1	R244 Y332	R244-P248 VanDerWaalsContact NH1-C 3.27Å; R244-P248 PolarHBondContact NH1-O 3.16Å; R244-P248 PolarHBondContact NH2-O 2.94Å; R244-P248 WeakPolarHBondContact O-CA 3.14Å; P248-Y332 VanDerWaalsContact O-O 3.05Å
249	T	93.4	Very high	90.2	Very high	88 Å²	88	35 Å²	35	54%	0.54	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-2.2	176.4	58.6	0	0	0	0	112.7	D247	D247-T249 PolarHBondContact O-N 3.11Å; D247-T249 VanDerWaalsContact O-N 3.09Å; D247-T249 PolarHBondContact OD1-N 2.89Å; D247-T249 PolarHBondContact OD1-OG1 3.46Å
250	S	94.8	Very high	88	Confident	3 Å²	3	45 Å²	45	2%	0.021	24%	0.237	C	C	.	.			trans	-58.3	141	-178.9	55	0	0	0	0	112.6	R244 D247 G333 G334	R244-S250 WeakPolarHBondContact CD-OG 3.4Å; R244-S250 PolarHBondContact NH1-O 3.41Å; D247-S250 VanDerWaalsContact O-CB 3.29Å; D247-S250 WeakPolarHBondContact O-CB 3.47Å; D247-S250 PolarHBondContact O-N 3.15Å; D247-S250 VanDerWaalsContact O-N 3.11Å; D247-S250 PolarHBondContact O-OG 2.68Å; D247-S250 PolarHBondContact OD1-N 3.44Å; D247-S250 VanDerWaalsContact OD1-N 3.15Å; D247-S250 WeakPolarHBondContact OD2-CB 3.49Å; S250-G333 WeakPolarHBondContact O-CA 3.38Å; S250-G334 PolarHBondContact O-N 3.49Å
251	R	97	Very high	85.6	Confident	91 Å²	91	50.6 Å²	50.6	34%	0.343	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	118.1	172.1	-69	173.4	-174.4	135.2	2.1	108.3	P226 Y227 L327 V330	P226-R251 HydrophobicContact CG-CB 4.45Å; Y227-R251 PolarHBondContact N-O 2.79Å; R251-L327 HydrophobicContact CB-CD1 4.06Å; R251-L327 HydrophobicContact CB-CD2 4.48Å; R251-L327 HydrophobicContact CB-CG 4.11Å; R251-L327 VanDerWaalsContact CD-O 3.32Å; R251-L327 WeakPolarHBondContact CD-O 3.28Å; R251-L327 HydrophobicContact CG-CD1 4.34Å; R251-L327 HydrophobicContact CG-CG 4.49Å; R251-L327 PolarHBondContact NE-O 3.08Å; R251-V330 PolarHBondContact NH2-O 3.39Å
252	I	98	Very high	83.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	127.4	-172.4	-57.2	156.7	0	0	0	108.3	Y227 I229 A240 I243 R244 G334 V335 A336	Y227-I252 HydrophobicContact CD2-CG1 4.32Å; Y227-I252 HydrophobicContact CG-CG1 4.42Å; Y227-I252 WeakPolarHBondContact O-CA 3.46Å; I229-I252 HydrophobicContact CD1-CG2 3.67Å; I229-I252 HydrophobicContact CG1-CG2 4.07Å; A240-I252 HydrophobicContact CB-CD1 4.42Å; A240-I252 HydrophobicContact CB-CG2 4.34Å; A240-I252 WeakPolarHBondContact O-CD1 3.37Å; I243-I252 HydrophobicContact CB-CD1 3.87Å; I243-I252 HydrophobicContact CG2-CD1 3.7Å; I243-I252 HydrophobicContact CG2-CG1 4.05Å; R244-I252 HydrophobicContact CG-CD1 3.68Å; I252-G334 PolarHBondContact N-O 2.82Å; I252-V335 HydrophobicContact CB-CG2 4.41Å; I252-V335 HydrophobicContact CD1-CG2 4.08Å; I252-V335 HydrophobicContact CG2-CG1 4.49Å; I252-V335 WeakPolarHBondContact O-CA 3.39Å; I252-A336 PolarHBondContact O-N 3.49Å
253	L	97.6	Very high	81.9	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	110.4	168.7	-179.7	64.8	0	0	0	108.8	F221 V225 Y227 I229 I255 P324 L327 A336 M338 I361	F221-L253 HydrophobicContact CZ-CD2 4.47Å; V225-L253 HydrophobicContact CB-CB 4.31Å; V225-L253 HydrophobicContact CG1-CB 3.85Å; V225-L253 HydrophobicContact CG2-CB 4.2Å; V225-L253 HydrophobicContact CG2-CD2 4.29Å; Y227-L253 PolarHBondContact O-N 3.36Å; I229-L253 PolarHBondContact N-O 2.85Å; L253-I255 HydrophobicContact CD2-CD1 4.09Å; L253-I255 HydrophobicContact CD2-CG1 4.22Å; L253-I255 HydrophobicContact CG-CD1 4.32Å; L253-I255 HydrophobicContact CG-CG1 3.92Å; L253-P324 HydrophobicContact CD1-CB 4.19Å; L253-P324 HydrophobicContact CD1-CG 4.24Å; L253-L327 HydrophobicContact CB-CD2 4.2Å; L253-A336 HydrophobicContact CD1-CB 4.09Å; L253-M338 HydrophobicContact CD1-CB 4.07Å; L253-I361 HydrophobicContact CD2-CD1 3.74Å
254	L	96.7	Very high	80.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	118.7	174.2	-174.5	63.5	0	0	0	108.7	I229 A232 M237 P279 F321 V335 A336 L337 M338	I229-L254 HydrophobicContact CB-CD1 3.65Å; I229-L254 HydrophobicContact CD1-CD1 4.43Å; I229-L254 HydrophobicContact CG2-CD1 3.43Å; I229-L254 VanDerWaalsContact CG2-CD1 3.43Å; A232-L254 HydrophobicContact CB-CD1 4.38Å; A232-L254 HydrophobicContact CB-CD2 4.06Å; A232-L254 HydrophobicContact CB-CG 3.92Å; M237-L254 HydrophobicContact SD-CD2 4.27Å; L254-P279 HydrophobicContact CD2-CG 3.91Å; L254-F321 HydrophobicContact CD2-CE1 4.34Å; L254-V335 HydrophobicContact CB-CG1 4.11Å; L254-A336 WeakPolarHBondContact CB-O 3.32Å; L254-A336 PolarHBondContact N-O 3.1Å; L254-L337 HydrophobicContact CB-CD1 4.42Å; L254-L337 HydrophobicContact CD2-CD1 4.2Å; L254-L337 HydrophobicContact CG-CD1 4.18Å; L254-L337 WeakPolarHBondContact O-CA 3.31Å; L254-M338 PolarHBondContact O-N 3.1Å
255	I	94.5	Very high	78.9	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	118.5	-175.3	-53.5	178.9	0	0	0	108.9	I228 I229 G231 A232 L253 M338 V343 I353 L355	I228-I255 HydrophobicContact CG2-CD1 4.2Å; I229-I255 PolarHBondContact O-N 2.84Å; G231-I255 CarbonylContact C-O 3.56Å; G231-I255 VanDerWaalsContact CA-O 3.27Å; G231-I255 WeakPolarHBondContact CA-O 3.19Å; G231-I255 PolarHBondContact N-O 3.38Å; A232-I255 PolarHBondContact N-O 2.93Å; L253-I255 HydrophobicContact CD2-CD1 4.09Å; L253-I255 HydrophobicContact CD2-CG1 4.22Å; L253-I255 HydrophobicContact CG-CD1 4.32Å; L253-I255 HydrophobicContact CG-CG1 3.92Å; I255-M338 HydrophobicContact CB-CE 4.3Å; I255-M338 HydrophobicContact CD1-CE 3.78Å; I255-M338 HydrophobicContact CG1-CE 3.79Å; I255-M338 HydrophobicContact CG2-CE 3.66Å; I255-V343 HydrophobicContact CD1-CG2 3.76Å; I255-V343 HydrophobicContact CG2-CG2 4.16Å; I255-I353 HydrophobicContact CD1-CD1 3.4Å; I255-L355 HydrophobicContact CD1-CD2 4.28Å
256	S	87.8	Confident	78.1	Confident	6 Å²	6	50.6 Å²	50.6	4%	0.042	28%	0.284	C	S	.	.			trans	-93	125.7	167.5	-154.8	0	0	0	0	109.5	E276 M338	S256-E276 VanDerWaalsContact CB-OE2 3.23Å; S256-E276 WeakPolarHBondContact CB-OE2 3.23Å; S256-E276 PolarHBondContact OG-OE1 3.35Å; S256-E276 PolarHBondContact OG-OE2 3.42Å; S256-M338 PolarHBondContact N-O 3Å
257	G	66.1	Low	77.3	Confident	26 Å²	26	52.5 Å²	52.5	27%	0.268	30%	0.296	S	S	.	.			trans	-110.4	112	-167.6	0	0	0	0	0	112.6
258	G	59	Low	76.4	Confident	9 Å²	9	52.6 Å²	52.6	9%	0.093	30%	0.302	C	S	.	.			trans	174.1	156.4	144.3	0	0	0	0	0	112.6	S262 A265	G258-S262 WeakPolarHBondContact CA-OG 3.25Å; G258-A265 VanDerWaalsContact CA-CB 3.41Å
259	R	53	Low	75.4	Confident	124 Å²	124	49.2 Å²	49.2	47%	0.468	28%	0.279	S	S	.	.			trans	-79.2	157.3	168.8	-72	-178.3	168.7	165.7	-2.6	108.1	S261 S262	R259-S261 PolarHBondContact O-N 2.97Å; R259-S262 PolarHBondContact N-OG 3.22Å; R259-S262 VanDerWaalsContact N-OG 3.1Å; R259-S262 PolarHBondContact O-N 2.9Å; R259-S262 PolarHBondContact O-OG 2.82Å
260	E	52.3	Low	74.4	Confident	210 Å²	210	52.1 Å²	52.1	98%	0.981	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-21.1	176.1	-66.5	-178.1	171.2	0	0	113.7
261	S	48.3	Very low	73.2	Confident	116 Å²	116	55.7 Å²	55.7	81%	0.811	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	0.5	178.1	-172	0	0	0	0	114.9	R259	R259-S261 PolarHBondContact O-N 2.97Å
262	S	54.9	Low	71.9	Confident	43 Å²	43	52.1 Å²	52.1	30%	0.301	29%	0.291	S	S	.	.			trans	-77.5	138	-179.7	71.2	0	0	0	0	111.3	G258 R259 I264	G258-S262 WeakPolarHBondContact CA-OG 3.25Å; R259-S262 PolarHBondContact N-OG 3.22Å; R259-S262 VanDerWaalsContact N-OG 3.1Å; R259-S262 PolarHBondContact O-N 2.9Å; R259-S262 PolarHBondContact O-OG 2.82Å; S262-I264 PolarHBondContact O-N 2.86Å
263	T	59.5	Low	70.9	Confident	98 Å²	98	56.7 Å²	56.7	60%	0.601	32%	0.323	S	S	*	.	S	Bend	trans	-71.1	-1.1	-179.4	57.4	0	0	0	0	114.2
264	I	62.6	Low	69.8	Low	69 Å²	69	63.5 Å²	63.5	35%	0.354	35%	0.353	S	S	.	.	S	Bend	trans	-104.4	-38	-173.3	-61.3	172.5	0	0	0	111.3	S262 N579	S262-I264 PolarHBondContact O-N 2.86Å; I264-N579 WeakPolarHBondContact CG2-ND2 3.37Å
265	A	68	Low	68.9	Low	18 Å²	18	66.8 Å²	66.8	15%	0.149	37%	0.372	C	S	.	.	S	Bend	trans	-67.8	144.6	177.5	0	0	0	0	0	111.6	G258	G258-A265 VanDerWaalsContact CA-CB 3.41Å
266	E	78.2	Confident	68.2	Low	24 Å²	24	68.2 Å²	68.2	11%	0.112	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-72.6	124.7	164	-179.6	161.8	-172.8	0	0	108.5	G268 E276 P277 Y280 N401 I402	E266-G268 PolarHBondContact O-N 2.82Å; E266-E276 HydrophobicContact CB-CG 4.35Å; E266-E276 PolarHBondContact N-OE1 3.35Å; E266-E276 WeakPolarHBondContact O-CG 3.28Å; E266-P277 HydrophobicContact CG-CG 4.1Å; E266-Y280 VanDerWaalsContact CD-OH 3.29Å; E266-Y280 PolarHBondContact OE1-OH 2.85Å; E266-Y280 VanDerWaalsContact OE2-CE1 3.29Å; E266-Y280 WeakPolarHBondContact OE2-CE1 3.46Å; E266-Y280 PolarHBondContact OE2-OH 3.15Å; E266-N401 HydrophobicContact CG-CB 4.07Å; E266-N401 WeakPolarHBondContact OE1-CB 3.43Å; E266-I402 PolarHBondContact OE1-N 2.65Å
267	P	76.9	Confident	68	Low	75 Å²	75	68.3 Å²	68.3	49%	0.487	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-62.5	139.5	175.5	26.5	-33.2	0	0	0	109.2	A403	P267-A403 HydrophobicContact CG-CB 3.63Å
268	G	72.7	Confident	69	Low	21 Å²	21	67.1 Å²	67.1	22%	0.216	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-64	148.5	176.2	0	0	0	0	0	111.9	E266 F274 V275	E266-G268 PolarHBondContact O-N 2.82Å; G268-F274 WeakPolarHBondContact CA-O 3.15Å; G268-V275 VanDerWaalsContact CA-C 3.46Å; G268-V275 WeakPolarHBondContact CA-O 3.38Å
269	I	73.1	Confident	70.4	Confident	12 Å²	12	66.9 Å²	66.9	6%	0.062	36%	0.364	C	S	.	.			trans	-106.2	164.5	177.9	55.6	178	0	0	0	109.8	E271 T272 S273 F274 A403	I269-E271 HydrophobicContact CD1-CB 4.5Å; I269-E271 WeakPolarHBondContact CD1-OE2 3.44Å; I269-E271 HydrophobicContact CG1-CB 4.5Å; I269-E271 WeakPolarHBondContact CG1-OE2 3.49Å; I269-E271 PolarHBondContact O-N 2.77Å; I269-T272 HydrophobicContact CG1-CG2 4.04Å; I269-T272 WeakPolarHBondContact CG1-OG1 3.48Å; I269-T272 PolarHBondContact N-OG1 3.11Å; I269-T272 VanDerWaalsContact N-OG1 3.14Å; I269-T272 CarbonylContact O-C 3.58Å; I269-T272 PolarHBondContact O-N 2.81Å; I269-T272 PolarHBondContact O-OG1 3.19Å; I269-S273 PolarHBondContact O-N 2.83Å; I269-F274 WeakPolarHBondContact O-CA 3.45Å; I269-F274 PolarHBondContact O-N 2.8Å; I269-A403 HydrophobicContact CG2-CB 4.4Å
270	E	71.2	Confident	72	Confident	148 Å²	148	61.8 Å²	61.8	69%	0.692	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-52.8	-40.2	-178.9	-173.3	-179.8	177.5	0	0	112	T272 S273 F274	E270-T272 PolarHBondContact O-N 2.77Å; E270-S273 PolarHBondContact O-N 2.79Å; E270-F274 HydrophobicContact CB-CE1 4.27Å; E270-F274 HydrophobicContact CB-CZ 4.13Å; E270-F274 HydrophobicContact CG-CZ 4.21Å
271	E	69.5	Low	73.4	Confident	78 Å²	78	56 Å²	56	36%	0.364	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-67.6	-18.3	-180	-60.6	88.6	157.8	0	0	114.1	I269 R406	I269-E271 HydrophobicContact CD1-CB 4.5Å; I269-E271 WeakPolarHBondContact CD1-OE2 3.44Å; I269-E271 HydrophobicContact CG1-CB 4.5Å; I269-E271 WeakPolarHBondContact CG1-OE2 3.49Å; I269-E271 PolarHBondContact O-N 2.77Å; E271-R406 VanDerWaalsContact CD-NH1 3.26Å; E271-R406 VanDerWaalsContact CD-NH2 3.27Å; E271-R406 IonicContact OE1-CZ 3.8Å; E271-R406 VanDerWaalsContact OE1-CZ 3.26Å; E271-R406 IonicContact OE1-NH1 2.94Å; E271-R406 PolarHBondContact OE1-NH1 3.43Å; E271-R406 IonicContact OE1-NH2 3.74Å; E271-R406 PolarHBondContact OE1-NH2 3.36Å; E271-R406 IonicContact OE2-CZ 3.25Å; E271-R406 IonicContact OE2-NH1 3.94Å; E271-R406 PolarHBondContact OE2-NH1 2.98Å; E271-R406 IonicContact OE2-NH2 3.4Å; E271-R406 PolarHBondContact OE2-NH2 3.09Å
272	T	70.7	Confident	74.9	Confident	16 Å²	16	54.1 Å²	54.1	10%	0.098	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-108.5	21.3	176.2	58.5	0	0	0	0	111.1	I269 E270 F274 V275 P277 Y314	I269-T272 HydrophobicContact CG1-CG2 4.04Å; I269-T272 WeakPolarHBondContact CG1-OG1 3.48Å; I269-T272 PolarHBondContact N-OG1 3.11Å; I269-T272 VanDerWaalsContact N-OG1 3.14Å; I269-T272 CarbonylContact O-C 3.58Å; I269-T272 PolarHBondContact O-N 2.81Å; I269-T272 PolarHBondContact O-OG1 3.19Å; E270-T272 PolarHBondContact O-N 2.77Å; T272-F274 PolarHBondContact O-N 2.97Å; T272-V275 VanDerWaalsContact CB-O 3.25Å; T272-V275 WeakPolarHBondContact CB-O 3.36Å; T272-V275 WeakPolarHBondContact O-CB 3.45Å; T272-V275 PolarHBondContact O-N 3.45Å; T272-V275 PolarHBondContact OG1-O 3.15Å; T272-P277 HydrophobicContact CG2-CB 4.01Å; T272-Y314 WeakPolarHBondContact CG2-OH 3.45Å
273	S	76.5	Confident	76.3	Confident	97 Å²	97	53.3 Å²	53.3	68%	0.678	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	37.6	-177.4	-54.1	0	0	0	0	112.3	I269 E270 V275	I269-S273 PolarHBondContact O-N 2.83Å; E270-S273 PolarHBondContact O-N 2.79Å; S273-V275 PolarHBondContact O-N 3.12Å; S273-V275 VanDerWaalsContact O-N 3.16Å
274	F	75.1	Confident	77.6	Confident	143 Å²	143	50.8 Å²	50.8	63%	0.627	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	15.2	-177.6	-51.4	-78.6	0	0	0	115.1	G268 I269 E270 T272	G268-F274 WeakPolarHBondContact CA-O 3.15Å; I269-F274 WeakPolarHBondContact O-CA 3.45Å; I269-F274 PolarHBondContact O-N 2.8Å; E270-F274 HydrophobicContact CB-CE1 4.27Å; E270-F274 HydrophobicContact CB-CZ 4.13Å; E270-F274 HydrophobicContact CG-CZ 4.21Å; T272-F274 PolarHBondContact O-N 2.97Å
275	V	77.3	Confident	78.9	Confident	68 Å²	68	47.9 Å²	47.9	41%	0.412	26%	0.26	S	S	.	.	S	Bend	trans	-91.5	148.8	167.8	-174.6	0	0	0	0	109.4	G268 T272 S273 R339	G268-V275 VanDerWaalsContact CA-C 3.46Å; G268-V275 WeakPolarHBondContact CA-O 3.38Å; T272-V275 VanDerWaalsContact CB-O 3.25Å; T272-V275 WeakPolarHBondContact CB-O 3.36Å; T272-V275 WeakPolarHBondContact O-CB 3.45Å; T272-V275 PolarHBondContact O-N 3.45Å; T272-V275 PolarHBondContact OG1-O 3.15Å; S273-V275 PolarHBondContact O-N 3.12Å; S273-V275 VanDerWaalsContact O-N 3.16Å; V275-R339 HydrophobicContact CG1-CB 4.5Å
276	E	80.6	Confident	80	Confident	31 Å²	31	47.6 Å²	47.6	15%	0.145	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-49.5	130.9	175.8	-173.6	172.3	-150.2	0	0	111.2	S256 E266 R339	S256-E276 VanDerWaalsContact CB-OE2 3.23Å; S256-E276 WeakPolarHBondContact CB-OE2 3.23Å; S256-E276 PolarHBondContact OG-OE1 3.35Å; S256-E276 PolarHBondContact OG-OE2 3.42Å; E266-E276 HydrophobicContact CB-CG 4.35Å; E266-E276 PolarHBondContact N-OE1 3.35Å; E266-E276 WeakPolarHBondContact O-CG 3.28Å; E276-R339 WeakPolarHBondContact O-CD 3.42Å
277	P	82.5	Confident	80.5	Confident	8 Å²	8	47.5 Å²	47.5	5%	0.052	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-63.9	148.9	-175.2	23.7	-33.9	0	0	0	112.6	E266 T272 Y280 Y314	E266-P277 HydrophobicContact CG-CG 4.1Å; T272-P277 HydrophobicContact CG2-CB 4.01Å; P277-Y280 HydrophobicContact CB-CD1 4.29Å; P277-Y280 HydrophobicContact CB-CE1 4.43Å; P277-Y280 HydrophobicContact CG-CD1 4.3Å; P277-Y280 HydrophobicContact CG-CE1 3.96Å; P277-Y314 HydrophobicContact CB-CE1 4Å
278	P	86.4	Confident	80.7	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.013	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-63.1	163.3	167.2	27.9	-32.3	0	0	0	110.9	Y280 Y314 D318 F321 L337	P278-Y280 PolarHBondContact O-N 2.93Å; P278-Y314 HydrophobicContact CB-CD1 4.42Å; P278-Y314 HydrophobicContact CG-CD1 3.57Å; P278-Y314 HydrophobicContact CG-CD2 4.47Å; P278-Y314 HydrophobicContact CG-CE1 3.69Å; P278-Y314 HydrophobicContact CG-CG 4.03Å; P278-Y314 WeakPolarHBondContact O-CD1 3.38Å; P278-D318 WeakPolarHBondContact CG-OD1 3.32Å; P278-F321 HydrophobicContact CB-CE2 4.02Å; P278-L337 HydrophobicContact CB-CD2 4.02Å
279	P	89.3	Confident	81.3	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.019	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-51.4	126.9	-180	-20.8	25	0	0	0	112.5	A232 M237 L254 Y315 F321	A232-P279 HydrophobicContact CB-CG 4.15Å; A232-P279 WeakPolarHBondContact O-CB 3.33Å; A232-P279 VanDerWaalsContact O-CG 3.27Å; A232-P279 WeakPolarHBondContact O-CG 3.42Å; M237-P279 HydrophobicContact CB-CB 3.84Å; M237-P279 HydrophobicContact CB-CG 4.25Å; M237-P279 HydrophobicContact CG-CB 4.02Å; M237-P279 HydrophobicContact CG-CG 4.4Å; M237-P279 HydrophobicContact SD-CB 4.27Å; M237-P279 HydrophobicContact SD-CG 4.04Å; L254-P279 HydrophobicContact CD2-CG 3.91Å; P279-Y315 HydrophobicContact CB-CD2 3.94Å; P279-Y315 PolarHBondContact O-N 3.33Å; P279-F321 HydrophobicContact CG-CZ 4.1Å
280	Y	85.9	Confident	81.9	Confident	18 Å²	18	45 Å²	45	7%	0.071	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-126	151.5	-178.1	61.7	-91.9	0	0	0	114.2	E266 P277 P278 R282 L313 Y314 Y315 I402	E266-Y280 VanDerWaalsContact CD-OH 3.29Å; E266-Y280 PolarHBondContact OE1-OH 2.85Å; E266-Y280 VanDerWaalsContact OE2-CE1 3.29Å; E266-Y280 WeakPolarHBondContact OE2-CE1 3.46Å; E266-Y280 PolarHBondContact OE2-OH 3.15Å; P277-Y280 HydrophobicContact CB-CD1 4.29Å; P277-Y280 HydrophobicContact CB-CE1 4.43Å; P277-Y280 HydrophobicContact CG-CD1 4.3Å; P277-Y280 HydrophobicContact CG-CE1 3.96Å; P278-Y280 PolarHBondContact O-N 2.93Å; Y280-R282 HydrophobicContact CD2-CB 4.28Å; Y280-R282 HydrophobicContact CE2-CB 3.97Å; Y280-R282 HydrophobicContact CE2-CG 4.08Å; Y280-R282 PolarHBondContact O-N 2.86Å; Y280-L313 CarbonylContact C-O 3.59Å; Y280-L313 WeakPolarHBondContact CA-O 3.24Å; Y280-L313 VanDerWaalsContact CB-O 3.26Å; Y280-L313 WeakPolarHBondContact CB-O 3.26Å; Y280-Y314 HydrophobicContact CD1-CE1 4.44Å; Y280-Y315 VanDerWaalsContact O-CE2 3.26Å; Y280-Y315 WeakPolarHBondContact O-CE2 3.23Å; Y280-I402 HydrophobicContact CD1-CD1 4.46Å; Y280-I402 HydrophobicContact CD2-CD1 3.59Å; Y280-I402 HydrophobicContact CD2-CG1 4.46Å; Y280-I402 HydrophobicContact CE1-CD1 4.21Å; Y280-I402 HydrophobicContact CE2-CD1 3.28Å; Y280-I402 HydrophobicContact CE2-CG1 3.69Å; Y280-I402 HydrophobicContact CG-CD1 4.19Å
281	L	82.5	Confident	82.4	Confident	89 Å²	89	40.6 Å²	40.6	47%	0.466	21%	0.213	S	C	.	.			trans	-73.7	96.1	171.9	-177.1	69.3	0	0	0	108.2	P283 L313 Y315	L281-P283 VanDerWaalsContact O-CD 3.23Å; L281-P283 WeakPolarHBondContact O-CD 3.24Å; L281-P283 VanDerWaalsContact O-N 3.12Å; L281-L313 PolarHBondContact N-O 3.07Å; L281-Y315 HydrophobicContact CB-CE1 4.4Å; L281-Y315 HydrophobicContact CD1-CE1 3.99Å
282	R	80.4	Confident	82.8	Confident	76 Å²	76	41.3 Å²	41.3	29%	0.287	21%	0.212	S	C	.	.			trans	-60.2	115.4	-172.2	-173.2	177.9	-66.4	152.2	-0.4	111	Y280 L285 R400 L632	Y280-R282 HydrophobicContact CD2-CB 4.28Å; Y280-R282 HydrophobicContact CE2-CB 3.97Å; Y280-R282 HydrophobicContact CE2-CG 4.08Å; Y280-R282 PolarHBondContact O-N 2.86Å; R282-L285 HydrophobicContact CG-CD1 4.16Å; R282-L285 HydrophobicContact CG-CG 4.29Å; R282-R400 VanDerWaalsContact NH1-CZ 3.28Å; R282-L632 HydrophobicContact CB-CD2 4.45Å
283	P	82.7	Confident	83.3	Confident	26 Å²	26	41.5 Å²	41.5	17%	0.169	21%	0.214	C	C	.	.			trans	-68.5	163.8	174.8	27	-30.4	0	0	0	110.6	L281 L285 L289 L301 L313	L281-P283 VanDerWaalsContact O-CD 3.23Å; L281-P283 WeakPolarHBondContact O-CD 3.24Å; L281-P283 VanDerWaalsContact O-N 3.12Å; P283-L285 VanDerWaalsContact C-N 3.27Å; P283-L285 HydrophobicContact CG-CD2 3.83Å; P283-L285 WeakPolarHBondContact O-CG 3.16Å; P283-L285 PolarHBondContact O-N 3.46Å; P283-L289 HydrophobicContact CG-CD2 4.47Å; P283-L301 HydrophobicContact CG-CD2 4.13Å; P283-L313 HydrophobicContact CG-CD1 4.3Å
284	P	86.9	Confident	83.4	Confident	44 Å²	44	40.5 Å²	40.5	29%	0.286	20%	0.201	S	C	.	.			trans	-71.4	81.7	178.7	30.4	-36.2	0	0	0	111.3	S286 K287 E288 L289	P284-S286 PolarHBondContact O-N 2.74Å; P284-S286 VanDerWaalsContact O-N 3.14Å; P284-K287 HydrophobicContact CB-CB 4.21Å; P284-K287 HydrophobicContact CB-CD 4.19Å; P284-K287 PolarHBondContact O-N 2.85Å; P284-K287 VanDerWaalsContact O-N 3.16Å; P284-E288 WeakPolarHBondContact CG-OE2 3.49Å; P284-L289 WeakPolarHBondContact O-CB 3.3Å
285	L	90.2	Very high	83.5	Confident	9 Å²	9	37.5 Å²	37.5	5%	0.047	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24	-169	-63.6	179.4	0	0	0	114.5	R282 P283 L289 W290 F399 N401 I402 Y405	R282-L285 HydrophobicContact CG-CD1 4.16Å; R282-L285 HydrophobicContact CG-CG 4.29Å; P283-L285 VanDerWaalsContact C-N 3.27Å; P283-L285 HydrophobicContact CG-CD2 3.83Å; P283-L285 WeakPolarHBondContact O-CG 3.16Å; P283-L285 PolarHBondContact O-N 3.46Å; L285-L289 HydrophobicContact CD2-CD2 3.95Å; L285-W290 PolarHBondContact O-NE1 3.11Å; L285-F399 HydrophobicContact CB-CE1 3.8Å; L285-F399 HydrophobicContact CB-CZ 4.02Å; L285-F399 WeakPolarHBondContact O-CZ 3.46Å; L285-N401 VanDerWaalsContact CD1-C 3.48Å; L285-N401 WeakPolarHBondContact CD1-O 3.39Å; L285-I402 HydrophobicContact CD2-CG1 4.1Å; L285-Y405 HydrophobicContact CD2-CG 4.19Å; L285-Y405 VanDerWaalsContact O-CD2 3.25Å; L285-Y405 WeakPolarHBondContact O-CD2 3.48Å
286	S	91.6	Very high	83.5	Confident	12 Å²	12	40.7 Å²	40.7	8%	0.084	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	0.4	-177.7	47.2	0	0	0	0	113.8	P284 E434 S438	P284-S286 PolarHBondContact O-N 2.74Å; P284-S286 VanDerWaalsContact O-N 3.14Å; S286-E434 VanDerWaalsContact CB-OE2 3.31Å; S286-E434 WeakPolarHBondContact CB-OE2 3.49Å; S286-E434 PolarHBondContact OG-OE2 3.31Å; S286-S438 WeakPolarHBondContact O-CB 3.43Å; S286-S438 PolarHBondContact O-OG 3.07Å
287	K	87.7	Confident	83.5	Confident	22 Å²	22	40 Å²	40	10%	0.096	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-116.2	-166.5	-53.5	168.7	-174.5	165.5	0	113.2	P284 L289 W290 E434 W672	P284-K287 HydrophobicContact CB-CB 4.21Å; P284-K287 HydrophobicContact CB-CD 4.19Å; P284-K287 PolarHBondContact O-N 2.85Å; P284-K287 VanDerWaalsContact O-N 3.16Å; K287-L289 PolarHBondContact O-N 2.98Å; K287-L289 VanDerWaalsContact O-N 3.14Å; K287-W290 PolarHBondContact O-N 2.86Å; K287-W290 VanDerWaalsContact O-N 3.15Å; K287-E434 WeakPolarHBondContact CE-OE1 3.33Å; K287-E434 WeakPolarHBondContact CE-OE2 3.42Å; K287-E434 HydrophobicContact CG-CG 4.24Å; K287-E434 IonicContact NZ-OE1 2.84Å; K287-W672 WeakPolarHBondContact CE-O 3.41Å; K287-W672 PolarHBondContact NZ-O 2.95Å
288	E	81.6	Confident	83.4	Confident	53 Å²	53	46.3 Å²	46.3	25%	0.248	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-65.7	-19.9	-170.1	-60.1	77.3	-166.4	0	0	113.2	P284 W290 N291 T674	P284-E288 WeakPolarHBondContact CG-OE2 3.49Å; E288-W290 PolarHBondContact O-N 2.78Å; E288-N291 WeakPolarHBondContact O-CB 3.44Å; E288-N291 PolarHBondContact O-N 3.36Å; E288-T674 WeakPolarHBondContact OE1-CB 3.42Å; E288-T674 WeakPolarHBondContact OE1-CG2 3.48Å; E288-T674 PolarHBondContact OE1-OG1 2.54Å
289	L	84.7	Confident	83	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.016	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-56.2	-39	175	-171.1	61.1	0	0	0	111	P283 P284 L285 K287 N291 R292 E297 L300 L301 Y405	P283-L289 HydrophobicContact CG-CD2 4.47Å; P284-L289 WeakPolarHBondContact O-CB 3.3Å; L285-L289 HydrophobicContact CD2-CD2 3.95Å; K287-L289 PolarHBondContact O-N 2.98Å; K287-L289 VanDerWaalsContact O-N 3.14Å; L289-N291 PolarHBondContact O-N 2.96Å; L289-R292 PolarHBondContact O-N 3.2Å; L289-E297 HydrophobicContact CD1-CG 4.27Å; L289-L300 HydrophobicContact CD1-CD1 4.18Å; L289-L301 HydrophobicContact CD2-CD2 4.36Å; L289-Y405 HydrophobicContact CB-CE2 4.48Å; L289-Y405 HydrophobicContact CD2-CD1 4.08Å; L289-Y405 HydrophobicContact CD2-CD2 3.99Å; L289-Y405 HydrophobicContact CD2-CE1 3.75Å; L289-Y405 HydrophobicContact CD2-CE2 3.61Å; L289-Y405 HydrophobicContact CD2-CG 4.21Å; L289-Y405 VanDerWaalsContact CD2-CZ 3.49Å; L289-Y405 HydrophobicContact CG-CE1 4.31Å; L289-Y405 HydrophobicContact CG-CE2 3.97Å
290	W	87.4	Confident	82.3	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-68.5	-20.1	178.9	-66.4	77.1	0	0	0	113.9	L285 K287 E288 F399 Y405 L408 R409 L439	L285-W290 PolarHBondContact O-NE1 3.11Å; K287-W290 PolarHBondContact O-N 2.86Å; K287-W290 VanDerWaalsContact O-N 3.15Å; E288-W290 PolarHBondContact O-N 2.78Å; W290-F399 HydrophobicContact CZ2-CE2 4.41Å; W290-Y405 AromaticContact CD1-CE2 3.93Å; W290-Y405 HydrophobicContact CD2-CE2 4.17Å; W290-Y405 AromaticContact CE2-CD2 3.93Å; W290-Y405 AromaticContact CE2-CE2 3.56Å; W290-Y405 HydrophobicContact CG-CE2 4.34Å; W290-Y405 AromaticContact CZ2-CD2 3.92Å; W290-Y405 HydrophobicContact CZ2-CD2 3.92Å; W290-Y405 AromaticContact CZ2-CE2 3.88Å; W290-Y405 HydrophobicContact CZ2-CE2 3.88Å; W290-Y405 AromaticContact NE1-CD2 3.75Å; W290-Y405 AromaticContact NE1-CE2 3.43Å; W290-L408 HydrophobicContact CH2-CB 4.49Å; W290-L408 HydrophobicContact CH2-CD2 4.36Å; W290-L408 HydrophobicContact CH2-CG 4.19Å; W290-L408 HydrophobicContact CZ2-CD2 4.43Å; W290-R409 VanDerWaalsContact CE3-NH1 3.26Å; W290-R409 HydrophobicContact CH2-CB 4.37Å; W290-R409 PolarHBondContact O-NH1 3.48Å; W290-R409 PolarHBondContact O-NH2 2.99Å; W290-L439 HydrophobicContact CH2-CD2 3.78Å; W290-L439 HydrophobicContact CZ3-CD2 3.86Å
291	N	80.7	Confident	81.9	Confident	54 Å²	54	53.4 Å²	53.4	29%	0.289	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-86.9	-8.9	-176.6	-60.3	-17.5	0	0	0	113.6	E288 L289 K441	E288-N291 WeakPolarHBondContact O-CB 3.44Å; E288-N291 PolarHBondContact O-N 3.36Å; L289-N291 PolarHBondContact O-N 2.96Å; N291-K441 WeakPolarHBondContact OD1-CD 3.49Å; N291-K441 WeakPolarHBondContact OD1-CE 3.32Å; N291-K441 PolarHBondContact OD1-NZ 3.27Å
292	R	77.5	Confident	81.4	Confident	94 Å²	94	54.6 Å²	54.6	36%	0.355	25%	0.254	S	S	.	.	S	Bend	trans	-80.9	157	-173.9	-60.8	-170.4	-173.2	-154.3	4.2	110.4	L289 K296 E297 L300	L289-R292 PolarHBondContact O-N 3.2Å; R292-K296 HydrophobicContact CB-CB 4.11Å; R292-E297 HydrophobicContact CB-CB 4.36Å; R292-L300 VanDerWaalsContact CZ-CD1 3.42Å
293	S	80.9	Confident	80.8	Confident	19 Å²	19	53 Å²	53	13%	0.133	26%	0.255	C	S	.	.			trans	-67	152.9	165.9	61.9	0	0	0	0	109.1	D295 K296 E297 K444	S293-D295 PolarHBondContact O-N 3.45Å; S293-D295 VanDerWaalsContact O-N 3.15Å; S293-K296 PolarHBondContact O-N 3.34Å; S293-K296 WeakPolarHBondContact OG-CG 3.43Å; S293-K296 PolarHBondContact OG-N 2.66Å; S293-E297 WeakPolarHBondContact O-CB 3.18Å; S293-E297 PolarHBondContact O-N 3.48Å; S293-K444 WeakPolarHBondContact CB-O 3.34Å
294	L	78.6	Confident	79.8	Confident	77 Å²	77	56.3 Å²	56.3	40%	0.403	27%	0.271	S	S	.	.	H	α-helix	trans	-53	-39.8	-179	-69.4	172	0	0	0	112	E297 K298 P443	L294-E297 PolarHBondContact O-N 2.96Å; L294-K298 WeakPolarHBondContact O-CB 3.48Å; L294-K298 VanDerWaalsContact O-CG 3.26Å; L294-K298 WeakPolarHBondContact O-CG 3.31Å; L294-K298 PolarHBondContact O-N 3.45Å; L294-P443 HydrophobicContact CD2-CB 4.03Å; L294-P443 HydrophobicContact CD2-CG 4.2Å; L294-P443 HydrophobicContact CG-CB 3.94Å; L294-P443 HydrophobicContact CG-CG 4.27Å
295	D	77.2	Confident	78.3	Confident	80 Å²	80	54.7 Å²	54.7	43%	0.428	26%	0.263	S	S	.	.	H	α-helix	trans	-64.5	-41.2	176.4	-71.4	-7.7	0	0	0	113.7	S293 K299 T446	S293-D295 PolarHBondContact O-N 3.45Å; S293-D295 VanDerWaalsContact O-N 3.15Å; D295-K299 WeakPolarHBondContact O-CB 3.38Å; D295-K299 WeakPolarHBondContact O-CG 3.32Å; D295-K299 PolarHBondContact O-N 3.34Å; D295-T446 HydrophobicContact CB-CG2 4.25Å; D295-T446 WeakPolarHBondContact OD2-CG2 3.29Å
296	K	78.7	Confident	76.5	Confident	135 Å²	135	57.2 Å²	57.2	59%	0.587	28%	0.276	S	S	*	.	H	α-helix	trans	-71.2	-38.6	179.1	-76.8	-175.6	179.6	-175.4	0	110.8	R292 S293 K299 L300	R292-K296 HydrophobicContact CB-CB 4.11Å; S293-K296 PolarHBondContact O-N 3.34Å; S293-K296 WeakPolarHBondContact OG-CG 3.43Å; S293-K296 PolarHBondContact OG-N 2.66Å; K296-K299 PolarHBondContact O-N 3.31Å; K296-L300 WeakPolarHBondContact O-CD1 3.47Å; K296-L300 WeakPolarHBondContact O-CG 3.49Å; K296-L300 PolarHBondContact O-N 3.21Å
297	E	80.5	Confident	74.5	Confident	16 Å²	16	62.5 Å²	62.5	8%	0.075	30%	0.302	C	S	.	.	H	α-helix	trans	-59.8	-55.7	173.2	-179.5	-177.6	167.4	0	0	110.9	L289 R292 S293 L294 K299 L300 L301 Y405 R409	L289-E297 HydrophobicContact CD1-CG 4.27Å; R292-E297 HydrophobicContact CB-CB 4.36Å; S293-E297 WeakPolarHBondContact O-CB 3.18Å; S293-E297 PolarHBondContact O-N 3.48Å; L294-E297 PolarHBondContact O-N 2.96Å; E297-K299 VanDerWaalsContact C-N 3.27Å; E297-K299 PolarHBondContact O-N 3.02Å; E297-L300 PolarHBondContact O-N 3.02Å; E297-L301 HydrophobicContact CG-CD1 4.13Å; E297-L301 PolarHBondContact O-N 3.03Å; E297-Y405 WeakPolarHBondContact OE1-CE1 2.97Å; E297-Y405 PolarHBondContact OE1-OH 3.46Å; E297-R409 IonicContact OE1-CZ 2.98Å; E297-R409 IonicContact OE1-NE 2.71Å; E297-R409 PolarHBondContact OE1-NE 2.98Å; E297-R409 IonicContact OE1-NH2 3.31Å; E297-R409 IonicContact OE2-CZ 3.63Å; E297-R409 IonicContact OE2-NE 3.86Å; E297-R409 PolarHBondContact OE2-NE 3.32Å; E297-R409 IonicContact OE2-NH2 3.81Å; E297-R409 PolarHBondContact OE2-NH2 3.5Å
298	K	79.9	Confident	72.7	Confident	141 Å²	141	72 Å²	72	61%	0.613	34%	0.337	S	S	*	.	H	α-helix	trans	-52.8	-45.3	175.9	-75.5	177.9	-179.9	-174.8	0	111.5	L294 L300 L301 R302	L294-K298 WeakPolarHBondContact O-CB 3.48Å; L294-K298 VanDerWaalsContact O-CG 3.26Å; L294-K298 WeakPolarHBondContact O-CG 3.31Å; L294-K298 PolarHBondContact O-N 3.45Å; K298-L300 VanDerWaalsContact C-N 3.27Å; K298-L300 PolarHBondContact O-N 3.12Å; K298-L301 PolarHBondContact O-N 3.41Å; K298-R302 WeakPolarHBondContact O-CG 3.39Å; K298-R302 PolarHBondContact O-N 2.96Å; K298-R302 VanDerWaalsContact O-N 3.15Å
299	K	77.4	Confident	71.2	Confident	114 Å²	114	78 Å²	78	50%	0.496	36%	0.357	S	S	.	.	H	α-helix	trans	-59.3	-30.8	178.7	-79.2	171.3	-175.7	173.7	0	114.5	D295 K296 E297	D295-K299 WeakPolarHBondContact O-CB 3.38Å; D295-K299 WeakPolarHBondContact O-CG 3.32Å; D295-K299 PolarHBondContact O-N 3.34Å; K296-K299 PolarHBondContact O-N 3.31Å; E297-K299 VanDerWaalsContact C-N 3.27Å; E297-K299 PolarHBondContact O-N 3.02Å
300	L	76.1	Confident	69.3	Low	44 Å²	44	85.9 Å²	85.9	23%	0.23	39%	0.394	C	S	.	.	H	α-helix	trans	-82.6	-32.2	178.6	-64.9	144.4	0	0	0	112.7	L289 R292 K296 E297 K298 R302	L289-L300 HydrophobicContact CD1-CD1 4.18Å; R292-L300 VanDerWaalsContact CZ-CD1 3.42Å; K296-L300 WeakPolarHBondContact O-CD1 3.47Å; K296-L300 WeakPolarHBondContact O-CG 3.49Å; K296-L300 PolarHBondContact O-N 3.21Å; E297-L300 PolarHBondContact O-N 3.02Å; K298-L300 VanDerWaalsContact C-N 3.27Å; K298-L300 PolarHBondContact O-N 3.12Å; L300-R302 PolarHBondContact O-N 2.85Å
301	L	77.5	Confident	67.6	Low	14 Å²	14	87.8 Å²	87.8	7%	0.073	41%	0.407	C	S	.	.	S	Bend	trans	-86.7	5.7	-179.6	-60.4	178.6	0	0	0	112	P283 L289 E297 K298 Y405	P283-L301 HydrophobicContact CG-CD2 4.13Å; L289-L301 HydrophobicContact CD2-CD2 4.36Å; E297-L301 HydrophobicContact CG-CD1 4.13Å; E297-L301 PolarHBondContact O-N 3.03Å; K298-L301 PolarHBondContact O-N 3.41Å; L301-Y405 HydrophobicContact CD1-CD1 4.28Å; L301-Y405 HydrophobicContact CD1-CE1 3.82Å
302	R	72.1	Confident	66.7	Low	113 Å²	113	91 Å²	91	43%	0.426	42%	0.416	S	S	.	.			trans	-70.2	129.7	174.3	-88.6	176.8	72.7	173.8	0	110.8	K298 L300 D304	K298-R302 WeakPolarHBondContact O-CG 3.39Å; K298-R302 PolarHBondContact O-N 2.96Å; K298-R302 VanDerWaalsContact O-N 3.15Å; L300-R302 PolarHBondContact O-N 2.85Å; R302-D304 WeakPolarHBondContact CB-OD1 3.33Å; R302-D304 IonicContact CZ-OD1 3.97Å; R302-D304 IonicContact CZ-OD2 3.83Å; R302-D304 IonicContact NE-OD1 3.92Å; R302-D304 PolarHBondContact NE-OD1 2.79Å; R302-D304 IonicContact NE-OD2 2.69Å; R302-D304 IonicContact NH2-OD1 2.69Å; R302-D304 PolarHBondContact NH2-OD1 3.27Å; R302-D304 IonicContact NH2-OD2 3.44Å; R302-D304 PolarHBondContact NH2-OD2 3.03Å
303	S	66.7	Low	66.7	Low	42 Å²	42	87 Å²	87	29%	0.294	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-38.1	173	47.6	0	0	0	0	112.5	G305	S303-G305 PolarHBondContact O-N 3.24Å; S303-G305 VanDerWaalsContact O-N 3.1Å
304	D	62.2	Low	66.8	Low	97 Å²	97	87 Å²	87	52%	0.519	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	31.2	-173.4	68.7	-25.4	0	0	0	113.7	R302	R302-D304 WeakPolarHBondContact CB-OD1 3.33Å; R302-D304 IonicContact CZ-OD1 3.97Å; R302-D304 IonicContact CZ-OD2 3.83Å; R302-D304 IonicContact NE-OD1 3.92Å; R302-D304 PolarHBondContact NE-OD1 2.79Å; R302-D304 IonicContact NE-OD2 2.69Å; R302-D304 IonicContact NH2-OD1 2.69Å; R302-D304 PolarHBondContact NH2-OD1 3.27Å; R302-D304 IonicContact NH2-OD2 3.44Å; R302-D304 PolarHBondContact NH2-OD2 3.03Å
305	G	56	Low	67	Low	10 Å²	10	84.5 Å²	84.5	10%	0.103	38%	0.383	C	S	.	.			trans	-38.6	141.4	-167.5	0	0	0	0	0	115.9	S303 I307 S311 W312	S303-G305 PolarHBondContact O-N 3.24Å; S303-G305 VanDerWaalsContact O-N 3.1Å; G305-I307 PolarHBondContact O-N 2.89Å; G305-I307 VanDerWaalsContact O-N 3.12Å; G305-S311 WeakPolarHBondContact CA-O 3.16Å; G305-W312 PolarHBondContact O-NE1 3.43Å
306	D	51.9	Low	67.4	Low	61 Å²	61	82.5 Å²	82.5	33%	0.326	37%	0.372	S	S	.	.			trans	-68.9	109.3	-177.8	-178.6	-2.8	0	0	0	110.8	R308 R309 H310	D306-R308 PolarHBondContact O-N 3.03Å; D306-R308 VanDerWaalsContact O-N 3.13Å; D306-R308 WeakPolarHBondContact OD1-CB 3.38Å; D306-R308 PolarHBondContact OD1-N 3.18Å; D306-R309 HydrophobicContact CB-CB 4.17Å; D306-R309 HydrophobicContact CB-CG 4.45Å; D306-R309 CarbonylContact O-C 3.6Å; D306-R309 WeakPolarHBondContact O-CA 3.49Å; D306-R309 PolarHBondContact O-N 2.74Å; D306-R309 WeakPolarHBondContact OD2-CD 3.47Å; D306-R309 WeakPolarHBondContact OD2-CG 3.31Å; D306-R309 IonicContact OD2-CZ 3.75Å; D306-R309 IonicContact OD2-NE 3.49Å; D306-R309 IonicContact OD2-NH1 2.94Å; D306-H310 PolarHBondContact O-N 3.34Å; D306-H310 VanDerWaalsContact O-N 3.15Å
307	I	50.3	Low	67.6	Low	123 Å²	123	78.9 Å²	78.9	63%	0.631	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-47.4	-39.5	174.6	-93.9	163.8	0	0	0	111.6	G305 R309 H310 W312	G305-I307 PolarHBondContact O-N 2.89Å; G305-I307 VanDerWaalsContact O-N 3.12Å; I307-R309 PolarHBondContact O-N 2.98Å; I307-H310 PolarHBondContact O-N 3.25Å; I307-W312 HydrophobicContact CD1-CZ2 4.38Å; I307-W312 HydrophobicContact CG1-CZ2 3.6Å
308	R	48.7	Very low	67.6	Low	223 Å²	223	82 Å²	82	84%	0.842	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-70.7	-20.3	-177	-59.9	-177.1	179.1	-170.8	0.3	112.4	D306	D306-R308 PolarHBondContact O-N 3.03Å; D306-R308 VanDerWaalsContact O-N 3.13Å; D306-R308 WeakPolarHBondContact OD1-CB 3.38Å; D306-R308 PolarHBondContact OD1-N 3.18Å
309	R	49.6	Very low	67.9	Low	177 Å²	177	80.6 Å²	80.6	67%	0.668	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-108.7	3.9	-178.5	-67.5	-176.5	175.7	147.8	3.1	113.6	D306 I307 S311	D306-R309 HydrophobicContact CB-CB 4.17Å; D306-R309 HydrophobicContact CB-CG 4.45Å; D306-R309 CarbonylContact O-C 3.6Å; D306-R309 WeakPolarHBondContact O-CA 3.49Å; D306-R309 PolarHBondContact O-N 2.74Å; D306-R309 WeakPolarHBondContact OD2-CD 3.47Å; D306-R309 WeakPolarHBondContact OD2-CG 3.31Å; D306-R309 IonicContact OD2-CZ 3.75Å; D306-R309 IonicContact OD2-NE 3.49Å; D306-R309 IonicContact OD2-NH1 2.94Å; I307-R309 PolarHBondContact O-N 2.98Å; R309-S311 PolarHBondContact O-N 2.99Å
310	H	46.6	Very low	68.6	Low	170 Å²	170	79 Å²	79	79%	0.787	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	28.7	179.4	-56.1	80.6	0	0	0	113.5	D306 I307 W312	D306-H310 PolarHBondContact O-N 3.34Å; D306-H310 VanDerWaalsContact O-N 3.15Å; I307-H310 PolarHBondContact O-N 3.25Å; H310-W312 PolarHBondContact O-N 3.19Å
311	S	51.7	Low	69.3	Low	39 Å²	39	77.9 Å²	77.9	27%	0.273	37%	0.373	S	S	.	.			trans	-103.6	71.2	-177.5	178.6	0	0	0	0	109.3	G305 R309	G305-S311 WeakPolarHBondContact CA-O 3.16Å; R309-S311 PolarHBondContact O-N 2.99Å
312	W	60.1	Low	70.1	Confident	123 Å²	123	79.3 Å²	79.3	47%	0.466	38%	0.381	S	S	.	.			trans	-89.7	125.8	166.9	-61.1	-33.1	0	0	0	109.1	G305 I307 H310 Y314	G305-W312 PolarHBondContact O-NE1 3.43Å; I307-W312 HydrophobicContact CD1-CZ2 4.38Å; I307-W312 HydrophobicContact CG1-CZ2 3.6Å; H310-W312 PolarHBondContact O-N 3.19Å; W312-Y314 VanDerWaalsContact C-N 3.28Å; W312-Y314 WeakPolarHBondContact CB-O 3.46Å
313	L	77.3	Confident	71.1	Confident	8 Å²	8	80.8 Å²	80.8	4%	0.042	39%	0.39	C	S	.	.	S	Bend	trans	-63	-42.9	166.7	179.6	63	0	0	0	109.4	Y280 L281 P283 I402	Y280-L313 CarbonylContact C-O 3.59Å; Y280-L313 WeakPolarHBondContact CA-O 3.24Å; Y280-L313 VanDerWaalsContact CB-O 3.26Å; Y280-L313 WeakPolarHBondContact CB-O 3.26Å; L281-L313 PolarHBondContact N-O 3.07Å; P283-L313 HydrophobicContact CG-CD1 4.3Å; L313-I402 HydrophobicContact CD1-CD1 4.03Å; L313-I402 HydrophobicContact CD2-CD1 4.03Å; L313-I402 HydrophobicContact CG-CD1 4.41Å
314	Y	83	Confident	72.2	Confident	20 Å²	20	79.3 Å²	79.3	8%	0.078	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-80.4	147.4	-178.7	-59	-64.5	0	0	0	112.9	T272 P277 P278 Y280 W312 E316	T272-Y314 WeakPolarHBondContact CG2-OH 3.45Å; P277-Y314 HydrophobicContact CB-CE1 4Å; P278-Y314 HydrophobicContact CB-CD1 4.42Å; P278-Y314 HydrophobicContact CG-CD1 3.57Å; P278-Y314 HydrophobicContact CG-CD2 4.47Å; P278-Y314 HydrophobicContact CG-CE1 3.69Å; P278-Y314 HydrophobicContact CG-CG 4.03Å; P278-Y314 WeakPolarHBondContact O-CD1 3.38Å; Y280-Y314 HydrophobicContact CD1-CE1 4.44Å; W312-Y314 VanDerWaalsContact C-N 3.28Å; W312-Y314 WeakPolarHBondContact CB-O 3.46Å; Y314-E316 VanDerWaalsContact C-N 3.27Å; Y314-E316 WeakPolarHBondContact CB-O 3.29Å
315	Y	83.7	Confident	73.5	Confident	24 Å²	24	77.9 Å²	77.9	9%	0.094	37%	0.37	C	S	.	.	S	Bend	trans	-61.7	-42.8	171	-80.1	-67.2	0	0	0	110.6	A234 M237 R241 P279 Y280 L281 E636	A234-Y315 HydrophobicContact CB-CE2 4.24Å; A234-Y315 WeakPolarHBondContact CB-OH 3.19Å; M237-Y315 HydrophobicContact CB-CD2 4.2Å; M237-Y315 HydrophobicContact CG-CD2 4.03Å; M237-Y315 HydrophobicContact CG-CG 4.05Å; R241-Y315 VanDerWaalsContact NH1-CD1 3.27Å; R241-Y315 PolarHBondContact NH2-O 3.15Å; P279-Y315 HydrophobicContact CB-CD2 3.94Å; P279-Y315 PolarHBondContact O-N 3.33Å; Y280-Y315 VanDerWaalsContact O-CE2 3.26Å; Y280-Y315 WeakPolarHBondContact O-CE2 3.23Å; L281-Y315 HydrophobicContact CB-CE1 4.4Å; L281-Y315 HydrophobicContact CD1-CE1 3.99Å; Y315-E636 PolarHBondContact OH-OE1 2.92Å
316	E	86.3	Confident	75.2	Confident	39 Å²	39	80 Å²	80	18%	0.182	38%	0.381	C	S	.	.	S	Bend	trans	-140.1	146.9	176.6	-60.7	-64.8	167.4	0	0	108.8	M237 R241 Y314 F320 F321	M237-E316 HydrophobicContact CE-CG 3.59Å; R241-E316 IonicContact CZ-OE1 2.98Å; R241-E316 IonicContact NE-OE1 3.95Å; R241-E316 PolarHBondContact NE-OE1 2.96Å; R241-E316 IonicContact NH2-OE1 3.87Å; R241-E316 PolarHBondContact NH2-OE1 3.46Å; Y314-E316 VanDerWaalsContact C-N 3.27Å; Y314-E316 WeakPolarHBondContact CB-O 3.29Å; E316-F320 HydrophobicContact CB-CB 3.68Å; E316-F320 HydrophobicContact CB-CD1 3.61Å; E316-F320 HydrophobicContact CB-CD2 4.22Å; E316-F320 HydrophobicContact CB-CE1 4.3Å; E316-F320 HydrophobicContact CB-CG 3.58Å; E316-F320 HydrophobicContact CG-CB 4.37Å; E316-F320 HydrophobicContact CG-CD1 3.65Å; E316-F320 HydrophobicContact CG-CD2 3.98Å; E316-F320 HydrophobicContact CG-CE1 3.84Å; E316-F320 HydrophobicContact CG-CE2 4.14Å; E316-F320 HydrophobicContact CG-CG 3.74Å; E316-F320 HydrophobicContact CG-CZ 4.08Å; E316-F321 HydrophobicContact CB-CE2 4.11Å; E316-F321 HydrophobicContact CB-CZ 4.09Å
317	P	81.6	Confident	77.1	Confident	58 Å²	58	77.1 Å²	77.1	38%	0.377	37%	0.366	S	S	.	.			trans	-66.8	159.6	173.5	30.6	-35.8	0	0	0	111.1	S319 F320	P317-S319 PolarHBondContact O-N 2.92Å; P317-S319 VanDerWaalsContact O-N 3.08Å; P317-F320 HydrophobicContact CG-CB 4.36Å; P317-F320 WeakPolarHBondContact O-CB 3.47Å; P317-F320 PolarHBondContact O-N 3.27Å
318	D	81.6	Confident	78.9	Confident	82 Å²	82	74.3 Å²	74.3	44%	0.439	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-56.1	-31.2	178.5	-90.1	-30.2	0	0	0	113.1	P278 F320 F321 R339	P278-D318 WeakPolarHBondContact CG-OD1 3.32Å; D318-F320 PolarHBondContact O-N 2.56Å; D318-F321 PolarHBondContact O-N 3.47Å; D318-R339 IonicContact OD1-CZ 2.78Å; D318-R339 IonicContact OD1-NH1 2.68Å; D318-R339 PolarHBondContact OD1-NH1 3.27Å; D318-R339 VanDerWaalsContact OD1-NH1 3.08Å; D318-R339 IonicContact OD1-NH2 3.79Å
319	S	86.1	Confident	80.8	Confident	111 Å²	111	68.3 Å²	68.3	78%	0.776	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-67.7	-15	177.4	57.9	0	0	0	0	114.8	P317 F321	P317-S319 PolarHBondContact O-N 2.92Å; P317-S319 VanDerWaalsContact O-N 3.08Å; S319-F321 VanDerWaalsContact C-N 3.35Å
320	F	90.5	Very high	82.7	Confident	81 Å²	81	61.9 Å²	61.9	36%	0.355	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-69.5	-35.3	172.5	169.8	-92.5	0	0	0	111.6	M237 E316 P317 D318 V335	M237-F320 HydrophobicContact CE-CE1 3.85Å; M237-F320 HydrophobicContact CE-CZ 4.28Å; E316-F320 HydrophobicContact CB-CB 3.68Å; E316-F320 HydrophobicContact CB-CD1 3.61Å; E316-F320 HydrophobicContact CB-CD2 4.22Å; E316-F320 HydrophobicContact CB-CE1 4.3Å; E316-F320 HydrophobicContact CB-CG 3.58Å; E316-F320 HydrophobicContact CG-CB 4.37Å; E316-F320 HydrophobicContact CG-CD1 3.65Å; E316-F320 HydrophobicContact CG-CD2 3.98Å; E316-F320 HydrophobicContact CG-CE1 3.84Å; E316-F320 HydrophobicContact CG-CE2 4.14Å; E316-F320 HydrophobicContact CG-CG 3.74Å; E316-F320 HydrophobicContact CG-CZ 4.08Å; P317-F320 HydrophobicContact CG-CB 4.36Å; P317-F320 WeakPolarHBondContact O-CB 3.47Å; P317-F320 PolarHBondContact O-N 3.27Å; D318-F320 PolarHBondContact O-N 2.56Å; F320-V335 HydrophobicContact CE1-CB 4.05Å; F320-V335 HydrophobicContact CE1-CG2 4.19Å; F320-V335 HydrophobicContact CZ-CG2 4.34Å
321	F	92.8	Very high	84.7	Confident	20 Å²	20	60.9 Å²	60.9	9%	0.088	33%	0.325	C	S	.	.	S	Bend	trans	-81.9	131.5	-173.7	-59.2	-78.3	0	0	0	110.7	M237 L254 P278 P279 E316 D318 S319 V335 L337	M237-F321 HydrophobicContact CE-CE1 4.32Å; M237-F321 HydrophobicContact CE-CZ 4.45Å; M237-F321 HydrophobicContact SD-CE1 3.91Å; M237-F321 HydrophobicContact SD-CZ 3.98Å; L254-F321 HydrophobicContact CD2-CE1 4.34Å; P278-F321 HydrophobicContact CB-CE2 4.02Å; P279-F321 HydrophobicContact CG-CZ 4.1Å; E316-F321 HydrophobicContact CB-CE2 4.11Å; E316-F321 HydrophobicContact CB-CZ 4.09Å; D318-F321 PolarHBondContact O-N 3.47Å; S319-F321 VanDerWaalsContact C-N 3.35Å; F321-V335 WeakPolarHBondContact CA-O 3.49Å; F321-V335 HydrophobicContact CD1-CB 4.47Å; F321-V335 HydrophobicContact CD1-CG1 4.09Å; F321-V335 HydrophobicContact CE1-CG1 4.25Å; F321-L337 HydrophobicContact CB-CB 3.7Å; F321-L337 HydrophobicContact CD1-CB 3.69Å; F321-L337 HydrophobicContact CD1-CD2 4.4Å; F321-L337 HydrophobicContact CD2-CB 4.39Å; F321-L337 HydrophobicContact CD2-CD2 3.99Å; F321-L337 HydrophobicContact CE1-CB 4.43Å; F321-L337 HydrophobicContact CE2-CD2 4.19Å; F321-L337 HydrophobicContact CG-CB 3.66Å; F321-L337 HydrophobicContact CG-CD2 4.1Å; F321-L337 HydrophobicContact CZ-CD2 4.48Å
322	L	93.8	Very high	86.5	Confident	45 Å²	45	66.6 Å²	66.6	24%	0.236	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-70.7	155.1	169.6	-61.9	175.6	0	0	0	109.9	L327 V330 V335 A336 L337	L322-L327 HydrophobicContact CD1-CD1 4.07Å; L322-V330 HydrophobicContact CD1-CB 4.49Å; L322-V330 HydrophobicContact CD1-CG1 4.26Å; L322-V330 HydrophobicContact CD1-CG2 3.66Å; L322-V330 HydrophobicContact CD2-CG1 4.41Å; L322-V335 PolarHBondContact N-O 2.88Å; L322-A336 HydrophobicContact CB-CB 4.17Å; L322-A336 WeakPolarHBondContact O-CA 3.46Å; L322-A336 WeakPolarHBondContact O-CB 3.35Å; L322-L337 PolarHBondContact O-N 2.75Å
323	K	91.6	Very high	88.1	Confident	143 Å²	143	61.3 Å²	61.3	62%	0.622	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-74	144.2	164.7	-60.2	-172.5	175.6	-175.2	0	109.5	E325 T326 L327	K323-E325 VanDerWaalsContact CB-OE2 3.25Å; K323-E325 WeakPolarHBondContact CB-OE2 3.37Å; K323-E325 PolarHBondContact O-N 3.1Å; K323-T326 PolarHBondContact O-N 2.94Å; K323-T326 VanDerWaalsContact O-N 3.08Å; K323-T326 PolarHBondContact O-OG1 3.24Å; K323-L327 PolarHBondContact O-N 3.47Å
324	P	91.8	Very high	88.9	Confident	12 Å²	12	61.4 Å²	61.4	8%	0.078	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-53	-39.3	179.4	-28	35.9	0	0	0	113.7	F221 P222 L253 T326 L327 M338	F221-P324 HydrophobicContact CD2-CB 4.2Å; F221-P324 HydrophobicContact CE2-CB 3.41Å; F221-P324 VanDerWaalsContact CE2-CB 3.41Å; F221-P324 HydrophobicContact CE2-CG 4.14Å; F221-P324 HydrophobicContact CZ-CB 3.79Å; P222-P324 WeakPolarHBondContact CD-O 3.34Å; L253-P324 HydrophobicContact CD1-CB 4.19Å; L253-P324 HydrophobicContact CD1-CG 4.24Å; P324-T326 VanDerWaalsContact C-N 3.27Å; P324-T326 PolarHBondContact O-N 2.81Å; P324-L327 WeakPolarHBondContact O-CB 3.41Å; P324-L327 PolarHBondContact O-N 3.29Å; P324-M338 HydrophobicContact CG-CB 3.87Å; P324-M338 HydrophobicContact CG-CG 4.16Å
325	E	89.5	Confident	89.6	Confident	67 Å²	67	60.7 Å²	60.7	31%	0.313	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-61.9	-30.4	-179.9	-48	77.9	-116.4	0	0	113.1	I220 K323	I220-E325 WeakPolarHBondContact O-CA 3.27Å; I220-E325 WeakPolarHBondContact O-CB 3.42Å; I220-E325 WeakPolarHBondContact O-CG 3.47Å; K323-E325 VanDerWaalsContact CB-OE2 3.25Å; K323-E325 WeakPolarHBondContact CB-OE2 3.37Å; K323-E325 PolarHBondContact O-N 3.1Å
326	T	90.9	Very high	90.2	Very high	53 Å²	53	59.5 Å²	59.5	33%	0.325	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-90	-10.9	-178	63.6	0	0	0	0	113.2	K323 P324 S328 S329 V330	K323-T326 PolarHBondContact O-N 2.94Å; K323-T326 VanDerWaalsContact O-N 3.08Å; K323-T326 PolarHBondContact O-OG1 3.24Å; P324-T326 VanDerWaalsContact C-N 3.27Å; P324-T326 PolarHBondContact O-N 2.81Å; T326-S328 VanDerWaalsContact C-N 3.26Å; T326-S328 PolarHBondContact O-N 3.2Å; T326-S329 PolarHBondContact O-N 3.02Å; T326-S329 VanDerWaalsContact O-N 3.11Å; T326-S329 PolarHBondContact O-OG 2.87Å; T326-V330 WeakPolarHBondContact O-CG2 3.45Å; T326-V330 PolarHBondContact O-N 3.34Å
327	L	92.3	Very high	90.6	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.01	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-34.1	-172.8	-172.7	63.3	0	0	0	113.1	V225 R251 L253 L322 K323 P324 V330 A336	V225-L327 HydrophobicContact CG1-CD2 3.69Å; V225-L327 HydrophobicContact CG2-CD2 4.06Å; R251-L327 HydrophobicContact CB-CD1 4.06Å; R251-L327 HydrophobicContact CB-CD2 4.48Å; R251-L327 HydrophobicContact CB-CG 4.11Å; R251-L327 VanDerWaalsContact CD-O 3.32Å; R251-L327 WeakPolarHBondContact CD-O 3.28Å; R251-L327 HydrophobicContact CG-CD1 4.34Å; R251-L327 HydrophobicContact CG-CG 4.49Å; R251-L327 PolarHBondContact NE-O 3.08Å; L253-L327 HydrophobicContact CB-CD2 4.2Å; L322-L327 HydrophobicContact CD1-CD1 4.07Å; K323-L327 PolarHBondContact O-N 3.47Å; P324-L327 WeakPolarHBondContact O-CB 3.41Å; P324-L327 PolarHBondContact O-N 3.29Å; L327-V330 VanDerWaalsContact O-CG2 3.29Å; L327-V330 WeakPolarHBondContact O-CG2 3.16Å; L327-A336 HydrophobicContact CB-CB 4.23Å; L327-A336 HydrophobicContact CD1-CB 4.08Å; L327-A336 HydrophobicContact CD2-CB 4Å; L327-A336 HydrophobicContact CG-CB 4.32Å
328	S	88.4	Confident	91	Very high	64 Å²	64	56.2 Å²	56.2	45%	0.448	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-27.2	179.7	-60.5	0	0	0	0	113.6	T326	T326-S328 VanDerWaalsContact C-N 3.26Å; T326-S328 PolarHBondContact O-N 3.2Å
329	S	87.2	Confident	91.3	Very high	97 Å²	97	56.2 Å²	56.2	68%	0.678	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-21	-172.9	61.6	0	0	0	0	113.9	T326 Q331	T326-S329 PolarHBondContact O-N 3.02Å; T326-S329 VanDerWaalsContact O-N 3.11Å; T326-S329 PolarHBondContact O-OG 2.87Å; S329-Q331 PolarHBondContact O-N 3.3Å
330	V	89.8	Confident	91.1	Very high	42 Å²	42	53.3 Å²	53.3	26%	0.255	28%	0.283	S	S	.	.			trans	-66.2	132.4	176.5	-86.5	0	0	0	0	112.6	R251 L322 T326 L327	R251-V330 PolarHBondContact NH2-O 3.39Å; L322-V330 HydrophobicContact CD1-CB 4.49Å; L322-V330 HydrophobicContact CD1-CG1 4.26Å; L322-V330 HydrophobicContact CD1-CG2 3.66Å; L322-V330 HydrophobicContact CD2-CG1 4.41Å; T326-V330 WeakPolarHBondContact O-CG2 3.45Å; T326-V330 PolarHBondContact O-N 3.34Å; L327-V330 VanDerWaalsContact O-CG2 3.29Å; L327-V330 WeakPolarHBondContact O-CG2 3.16Å
331	Q	88.1	Confident	91	Very high	148 Å²	148	50.3 Å²	50.3	69%	0.692	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-39.9	-177.3	-175.6	177.7	10	0	0	113.2	S329	S329-Q331 PolarHBondContact O-N 3.3Å
332	Y	89.7	Confident	90.9	Very high	160 Å²	160	50.3 Å²	50.3	63%	0.627	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	12	-172.8	-57.6	-69.5	0	0	0	113.7	R244 P248	R244-Y332 PolarHBondContact NH1-O 3.42Å; R244-Y332 PolarHBondContact NH2-O 3.45Å; P248-Y332 VanDerWaalsContact O-O 3.05Å
333	G	93.1	Very high	90.9	Very high	11 Å²	11	49 Å²	49	11%	0.113	27%	0.266	C	S	.	.			trans	63	-157.8	-172.7	0	0	0	0	0	112.3	S250	S250-G333 WeakPolarHBondContact O-CA 3.38Å
334	G	95.8	Very high	91	Very high	10 Å²	10	45.9 Å²	45.9	10%	0.103	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.4	-176.3	-176.6	0	0	0	0	0	112.1	S250 I252	S250-G334 PolarHBondContact O-N 3.49Å; I252-G334 PolarHBondContact N-O 2.82Å
335	V	97.4	Very high	91.1	Very high	5 Å²	5	49.1 Å²	49.1	3%	0.03	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	116.8	176.8	-173.3	0	0	0	0	107.8	A240 R244 I252 L254 F320 F321 L322	A240-V335 HydrophobicContact CB-CG1 4.28Å; A240-V335 HydrophobicContact CB-CG2 4.2Å; R244-V335 HydrophobicContact CG-CG2 4.03Å; I252-V335 HydrophobicContact CB-CG2 4.41Å; I252-V335 HydrophobicContact CD1-CG2 4.08Å; I252-V335 HydrophobicContact CG2-CG1 4.49Å; I252-V335 WeakPolarHBondContact O-CA 3.39Å; L254-V335 HydrophobicContact CB-CG1 4.11Å; F320-V335 HydrophobicContact CE1-CB 4.05Å; F320-V335 HydrophobicContact CE1-CG2 4.19Å; F320-V335 HydrophobicContact CZ-CG2 4.34Å; F321-V335 WeakPolarHBondContact CA-O 3.49Å; F321-V335 HydrophobicContact CD1-CB 4.47Å; F321-V335 HydrophobicContact CD1-CG1 4.09Å; F321-V335 HydrophobicContact CE1-CG1 4.25Å; L322-V335 PolarHBondContact N-O 2.88Å
336	A	96.3	Very high	91.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	139	168.3	0	0	0	0	0	110.2	I252 L253 L254 L322 L327	I252-A336 PolarHBondContact O-N 3.49Å; L253-A336 HydrophobicContact CD1-CB 4.09Å; L254-A336 WeakPolarHBondContact CB-O 3.32Å; L254-A336 PolarHBondContact N-O 3.1Å; L322-A336 HydrophobicContact CB-CB 4.17Å; L322-A336 WeakPolarHBondContact O-CA 3.46Å; L322-A336 WeakPolarHBondContact O-CB 3.35Å; L327-A336 HydrophobicContact CB-CB 4.23Å; L327-A336 HydrophobicContact CD1-CB 4.08Å; L327-A336 HydrophobicContact CD2-CB 4Å; L327-A336 HydrophobicContact CG-CB 4.32Å
337	L	93.5	Very high	91.8	Very high	15 Å²	15	44.5 Å²	44.5	8%	0.079	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.5	174.8	177.6	60.7	0	0	0	109.4	A232 L254 P278 F321 L322 R339	A232-L337 HydrophobicContact CB-CD1 3.89Å; L254-L337 HydrophobicContact CB-CD1 4.42Å; L254-L337 HydrophobicContact CD2-CD1 4.2Å; L254-L337 HydrophobicContact CG-CD1 4.18Å; L254-L337 WeakPolarHBondContact O-CA 3.31Å; P278-L337 HydrophobicContact CB-CD2 4.02Å; F321-L337 HydrophobicContact CB-CB 3.7Å; F321-L337 HydrophobicContact CD1-CB 3.69Å; F321-L337 HydrophobicContact CD1-CD2 4.4Å; F321-L337 HydrophobicContact CD2-CB 4.39Å; F321-L337 HydrophobicContact CD2-CD2 3.99Å; F321-L337 HydrophobicContact CE1-CB 4.43Å; F321-L337 HydrophobicContact CE2-CD2 4.19Å; F321-L337 HydrophobicContact CG-CB 3.66Å; F321-L337 HydrophobicContact CG-CD2 4.1Å; F321-L337 HydrophobicContact CZ-CD2 4.48Å; L322-L337 PolarHBondContact O-N 2.75Å; L337-R339 HydrophobicContact CD1-CG 4.43Å; L337-R339 VanDerWaalsContact CD2-NH1 3.27Å; L337-R339 HydrophobicContact CG-CG 4.21Å
338	M	91.3	Very high	92	Very high	12 Å²	12	45 Å²	45	6%	0.059	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.4	174.6	-171.7	178.4	75.3	0	0	109.6	F221 L253 L254 I255 S256 P324 L355	F221-M338 HydrophobicContact CE2-SD 3.72Å; F221-M338 HydrophobicContact CZ-SD 3.41Å; F221-M338 WeakPolarHBondContact CZ-SD 3.28Å; L253-M338 HydrophobicContact CD1-CB 4.07Å; L254-M338 PolarHBondContact O-N 3.1Å; I255-M338 HydrophobicContact CB-CE 4.3Å; I255-M338 HydrophobicContact CD1-CE 3.78Å; I255-M338 HydrophobicContact CG1-CE 3.79Å; I255-M338 HydrophobicContact CG2-CE 3.66Å; S256-M338 PolarHBondContact N-O 3Å; P324-M338 HydrophobicContact CG-CB 3.87Å; P324-M338 HydrophobicContact CG-CG 4.16Å; M338-L355 HydrophobicContact CE-CD1 3.4Å; M338-L355 VanDerWaalsContact CE-CD1 3.4Å; M338-L355 HydrophobicContact CE-CD2 3.89Å; M338-L355 HydrophobicContact CE-CG 4.32Å; M338-L355 HydrophobicContact SD-CD1 3.98Å
339	R	87.7	Confident	92.3	Very high	83 Å²	83	47.9 Å²	47.9	31%	0.313	26%	0.259	S	S	.	.			trans	-127.7	158.6	-177.9	-64.9	-178.2	-76.9	-123.8	-1.2	110.1	V275 E276 D318 L337 D341	V275-R339 HydrophobicContact CG1-CB 4.5Å; E276-R339 WeakPolarHBondContact O-CD 3.42Å; D318-R339 IonicContact OD1-CZ 2.78Å; D318-R339 IonicContact OD1-NH1 2.68Å; D318-R339 PolarHBondContact OD1-NH1 3.27Å; D318-R339 VanDerWaalsContact OD1-NH1 3.08Å; D318-R339 IonicContact OD1-NH2 3.79Å; L337-R339 HydrophobicContact CD1-CG 4.43Å; L337-R339 VanDerWaalsContact CD2-NH1 3.27Å; L337-R339 HydrophobicContact CG-CG 4.21Å; R339-D341 PolarHBondContact O-N 2.79Å; R339-D341 VanDerWaalsContact O-N 3.14Å
340	G	82.6	Confident	92.8	Very high	50 Å²	50	50.2 Å²	50.2	52%	0.515	26%	0.257	S	S	.	.	S	Bend	trans	78.5	-15.1	171.4	0	0	0	0	0	116.5	P342	G340-P342 WeakPolarHBondContact O-CD 3.42Å
341	D	87.4	Confident	93.1	Very high	17 Å²	17	52.5 Å²	52.5	9%	0.091	26%	0.261	C	S	.	.			trans	-117.1	85.3	176.5	-166.1	13.2	0	0	0	110.8	R339 L355 A356 S357	R339-D341 PolarHBondContact O-N 2.79Å; R339-D341 VanDerWaalsContact O-N 3.14Å; D341-L355 WeakPolarHBondContact OD1-CB 3.16Å; D341-L355 WeakPolarHBondContact OD2-CB 3.18Å; D341-L355 VanDerWaalsContact OD2-CD1 3.31Å; D341-L355 WeakPolarHBondContact OD2-CD1 3.41Å; D341-A356 PolarHBondContact OD1-N 2.99Å; D341-A356 VanDerWaalsContact OD1-N 3.1Å; D341-S357 PolarHBondContact OD1-N 3.31Å; D341-S357 PolarHBondContact OD1-OG 3.35Å; D341-S357 WeakPolarHBondContact OD2-CB 3.29Å; D341-S357 PolarHBondContact OD2-OG 2.9Å
342	P	90.8	Very high	93.6	Very high	21 Å²	21	46 Å²	46	14%	0.136	23%	0.231	C	C	.	.			trans	-69.5	151.1	-173.1	26.8	-33.4	0	0	0	112.3	G340 V344 L355 A356	G340-P342 WeakPolarHBondContact O-CD 3.42Å; P342-V344 PolarHBondContact O-N 2.91Å; P342-L355 CarbonylContact O-C 3.4Å; P342-L355 WeakPolarHBondContact O-CA 3.28Å; P342-A356 HydrophobicContact CG-CB 3.93Å; P342-A356 PolarHBondContact O-N 2.85Å
343	V	93.4	Very high	93.9	Very high	17 Å²	17	38.4 Å²	38.4	10%	0.103	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	120.7	167.3	-175.7	0	0	0	0	108.6	V230 I255 R345 I353 L355 L582	V230-V343 HydrophobicContact CG1-CB 4Å; V230-V343 HydrophobicContact CG1-CG2 3.84Å; V230-V343 HydrophobicContact CG2-CG2 3.92Å; I255-V343 HydrophobicContact CD1-CG2 3.76Å; I255-V343 HydrophobicContact CG2-CG2 4.16Å; V343-R345 WeakPolarHBondContact CG1-O 3.38Å; V343-I353 HydrophobicContact CG1-CB 4.05Å; V343-I353 HydrophobicContact CG1-CG2 4.21Å; V343-I353 HydrophobicContact CG2-CD1 3.91Å; V343-L355 HydrophobicContact CB-CD2 4.44Å; V343-L355 HydrophobicContact CG2-CD2 3.77Å; V343-L582 HydrophobicContact CG1-CD1 4.18Å; V343-L582 HydrophobicContact CG1-CD2 4.05Å
344	V	93.2	Very high	94	Very high	78 Å²	78	39 Å²	39	47%	0.473	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	-21.1	179.1	-64.2	0	0	0	0	112.4	P342 F354 A356	P342-V344 PolarHBondContact O-N 2.91Å; V344-F354 WeakPolarHBondContact CG2-O 3.35Å; V344-F354 PolarHBondContact N-O 3.5Å; V344-A356 HydrophobicContact CG1-CB 3.73Å
345	R	95.4	Very high	93.9	Very high	79 Å²	79	38.6 Å²	38.6	30%	0.298	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	145.9	177.5	-173.8	171.6	68.9	75.3	-4.3	112	V343 F354 D585	V343-R345 WeakPolarHBondContact CG1-O 3.38Å; R345-F354 HydrophobicContact CB-CB 4.06Å; R345-F354 HydrophobicContact CB-CD2 4.22Å; R345-F354 HydrophobicContact CB-CG 4.42Å; R345-F354 HydrophobicContact CG-CD2 4.31Å; R345-F354 PolarHBondContact N-O 2.96Å; R345-F354 VanDerWaalsContact NH2-CG 3.31Å; R345-F354 PolarHBondContact O-N 3.49Å; R345-D585 WeakPolarHBondContact CD-OD2 3.4Å; R345-D585 HydrophobicContact CG-CB 3.65Å; R345-D585 WeakPolarHBondContact CG-OD2 3.12Å
346	L	96.5	Very high	93.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.7	175.4	171.3	70.8	0	0	0	109	P348 I353 Y363 L368 A586 L588 V609	L346-P348 HydrophobicContact CD2-CG 4.31Å; L346-P348 HydrophobicContact CG-CG 4.14Å; L346-I353 HydrophobicContact CD1-CG2 3.58Å; L346-Y363 HydrophobicContact CD1-CE1 3.74Å; L346-Y363 WeakPolarHBondContact CD1-OH 3.45Å; L346-L368 HydrophobicContact CD2-CD1 4.22Å; L346-L368 HydrophobicContact CD2-CD2 4.17Å; L346-A586 HydrophobicContact CB-CB 3.99Å; L346-A586 HydrophobicContact CD2-CB 3.83Å; L346-A586 HydrophobicContact CG-CB 3.95Å; L346-A586 WeakPolarHBondContact O-CA 3.21Å; L346-A586 WeakPolarHBondContact O-CB 3.24Å; L346-L588 HydrophobicContact CD2-CD1 4.19Å; L346-V609 HydrophobicContact CD2-CG1 4.2Å
347	D	97	Very high	93.1	Very high	23 Å²	23	40.5 Å²	40.5	12%	0.123	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	95.5	172.9	-174.3	-27.8	0	0	0	108.7	D349 K350 R351 T352 F354	D347-D349 VanDerWaalsContact C-N 3.28Å; D347-D349 PolarHBondContact O-N 3Å; D347-D349 PolarHBondContact OD1-N 2.89Å; D347-K350 HydrophobicContact CB-CB 4.44Å; D347-K350 PolarHBondContact OD1-N 2.94Å; D347-K350 WeakPolarHBondContact OD2-CD 3.34Å; D347-K350 WeakPolarHBondContact OD2-CE 3.47Å; D347-K350 WeakPolarHBondContact OD2-CG 3.18Å; D347-K350 IonicContact OD2-NZ 3.76Å; D347-R351 CarbonylContact O-C 3.53Å; D347-R351 VanDerWaalsContact O-CA 3.3Å; D347-R351 WeakPolarHBondContact O-CA 3.46Å; D347-R351 PolarHBondContact O-N 3.48Å; D347-T352 PolarHBondContact N-O 3.39Å; D347-T352 PolarHBondContact O-N 2.95Å; D347-F354 HydrophobicContact CB-CE2 3.87Å
348	P	96.8	Very high	92.9	Very high	12 Å²	12	42.1 Å²	42.1	8%	0.078	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-28	-178.2	-25.4	36.9	0	0	0	114.2	L346 R351 A586 V609	L346-P348 HydrophobicContact CD2-CG 4.31Å; L346-P348 HydrophobicContact CG-CG 4.14Å; P348-R351 WeakPolarHBondContact O-CG 3.35Å; P348-R351 PolarHBondContact O-N 2.94Å; P348-A586 HydrophobicContact CG-CB 3.88Å; P348-A586 WeakPolarHBondContact CG-O 3.12Å; P348-V609 HydrophobicContact CB-CG2 4.03Å; P348-V609 HydrophobicContact CG-CG2 4.31Å
349	D	95.8	Very high	92.9	Very high	126 Å²	126	42.7 Å²	42.7	67%	0.674	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-41.8	-175.4	-61.1	-26	0	0	0	110.4	D347 R351 R606	D347-D349 VanDerWaalsContact C-N 3.28Å; D347-D349 PolarHBondContact O-N 3Å; D347-D349 PolarHBondContact OD1-N 2.89Å; D349-R351 VanDerWaalsContact C-N 3.27Å; D349-R606 IonicContact OD1-CZ 3.26Å; D349-R606 IonicContact OD1-NH1 3.01Å; D349-R606 IonicContact OD1-NH2 2.69Å; D349-R606 PolarHBondContact OD1-NH2 2.91Å
350	K	96.4	Very high	93.2	Very high	145 Å²	145	44.6 Å²	44.6	63%	0.63	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-3.6	170.9	-59.9	-177.7	-165.9	156.6	0	113.2	D347 T352	D347-K350 HydrophobicContact CB-CB 4.44Å; D347-K350 PolarHBondContact OD1-N 2.94Å; D347-K350 WeakPolarHBondContact OD2-CD 3.34Å; D347-K350 WeakPolarHBondContact OD2-CE 3.47Å; D347-K350 WeakPolarHBondContact OD2-CG 3.18Å; D347-K350 IonicContact OD2-NZ 3.76Å; K350-T352 VanDerWaalsContact C-N 3.29Å; K350-T352 PolarHBondContact O-N 3.25Å; K350-T352 PolarHBondContact O-OG1 3.41Å
351	R	97.6	Very high	93.9	Very high	91 Å²	91	42.2 Å²	42.2	34%	0.343	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.8	52.5	-171.2	-56.8	-176.4	-179.3	170	2.8	112.3	D347 P348 D349 T362 Y363	D347-R351 CarbonylContact O-C 3.53Å; D347-R351 VanDerWaalsContact O-CA 3.3Å; D347-R351 WeakPolarHBondContact O-CA 3.46Å; D347-R351 PolarHBondContact O-N 3.48Å; P348-R351 WeakPolarHBondContact O-CG 3.35Å; P348-R351 PolarHBondContact O-N 2.94Å; D349-R351 VanDerWaalsContact C-N 3.27Å; R351-T362 CarbonylContact O-C 3.5Å; R351-T362 VanDerWaalsContact O-CA 3.23Å; R351-T362 WeakPolarHBondContact O-CA 3.06Å; R351-Y363 VanDerWaalsContact C-CD1 3.49Å; R351-Y363 HydrophobicContact CB-CD2 4.05Å; R351-Y363 HydrophobicContact CB-CE1 4.3Å; R351-Y363 HydrophobicContact CB-CE2 3.8Å; R351-Y363 HydrophobicContact CB-CG 4.39Å; R351-Y363 VanDerWaalsContact CB-O 3.23Å; R351-Y363 WeakPolarHBondContact CB-O 3.3Å; R351-Y363 WeakPolarHBondContact CD-O 3.08Å; R351-Y363 HydrophobicContact CG-CE2 4.22Å; R351-Y363 WeakPolarHBondContact O-CD1 3.32Å; R351-Y363 WeakPolarHBondContact O-CE1 3.48Å; R351-Y363 PolarHBondContact O-N 3.36Å
352	T	97.9	Very high	94.4	Very high	11 Å²	11	43.9 Å²	43.9	7%	0.067	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134.7	-175	-54.1	0	0	0	0	110.4	D347 K350 F354 Q360 I361 T362	D347-T352 PolarHBondContact N-O 3.39Å; D347-T352 PolarHBondContact O-N 2.95Å; K350-T352 VanDerWaalsContact C-N 3.29Å; K350-T352 PolarHBondContact O-N 3.25Å; K350-T352 PolarHBondContact O-OG1 3.41Å; T352-F354 HydrophobicContact CG2-CD2 4.38Å; T352-F354 HydrophobicContact CG2-CE1 4.24Å; T352-F354 HydrophobicContact CG2-CE2 3.65Å; T352-F354 HydrophobicContact CG2-CZ 3.54Å; T352-Q360 HydrophobicContact CG2-CB 4.12Å; T352-I361 CarbonylContact C-O 3.56Å; T352-I361 WeakPolarHBondContact CA-O 3.47Å; T352-T362 HydrophobicContact CG2-CG2 4.45Å
353	I	96.4	Very high	94.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	150.5	165.8	58.9	158.6	0	0	0	110.6	I228 I255 V343 L346 L355 Q360 I361 Y363	I228-I353 HydrophobicContact CD1-CD1 3.67Å; I228-I353 HydrophobicContact CD1-CG1 3.71Å; I228-I353 HydrophobicContact CG2-CD1 3.95Å; I228-I353 HydrophobicContact CG2-CG2 4.49Å; I255-I353 HydrophobicContact CD1-CD1 3.4Å; V343-I353 HydrophobicContact CG1-CB 4.05Å; V343-I353 HydrophobicContact CG1-CG2 4.21Å; V343-I353 HydrophobicContact CG2-CD1 3.91Å; L346-I353 HydrophobicContact CD1-CG2 3.58Å; I353-L355 HydrophobicContact CD1-CD2 4Å; I353-Q360 WeakPolarHBondContact O-CA 3.49Å; I353-I361 HydrophobicContact CD1-CB 4.3Å; I353-I361 HydrophobicContact CD1-CD1 4Å; I353-I361 HydrophobicContact CG1-CB 3.85Å; I353-I361 HydrophobicContact CG1-CD1 4.4Å; I353-I361 WeakPolarHBondContact CG1-O 3.12Å; I353-I361 PolarHBondContact N-O 2.97Å; I353-I361 PolarHBondContact O-N 3.44Å; I353-Y363 HydrophobicContact CG2-CD1 4.21Å; I353-Y363 HydrophobicContact CG2-CE1 3.98Å
354	F	95.2	Very high	94.9	Very high	23 Å²	23	44.5 Å²	44.5	10%	0.101	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.3	178	-57.4	-100.9	0	0	0	108.2	V344 R345 D347 T352 R359 Q360	V344-F354 WeakPolarHBondContact CG2-O 3.35Å; V344-F354 PolarHBondContact N-O 3.5Å; R345-F354 HydrophobicContact CB-CB 4.06Å; R345-F354 HydrophobicContact CB-CD2 4.22Å; R345-F354 HydrophobicContact CB-CG 4.42Å; R345-F354 HydrophobicContact CG-CD2 4.31Å; R345-F354 PolarHBondContact N-O 2.96Å; R345-F354 VanDerWaalsContact NH2-CG 3.31Å; R345-F354 PolarHBondContact O-N 3.49Å; D347-F354 HydrophobicContact CB-CE2 3.87Å; T352-F354 HydrophobicContact CG2-CD2 4.38Å; T352-F354 HydrophobicContact CG2-CE1 4.24Å; T352-F354 HydrophobicContact CG2-CE2 3.65Å; T352-F354 HydrophobicContact CG2-CZ 3.54Å; F354-R359 WeakPolarHBondContact CA-O 3.31Å; F354-Q360 HydrophobicContact CD1-CB 4.44Å; F354-Q360 HydrophobicContact CD1-CG 3.6Å; F354-Q360 HydrophobicContact CE1-CB 4.35Å; F354-Q360 HydrophobicContact CE1-CG 3.62Å; F354-Q360 VanDerWaalsContact CE1-OE1 3.3Å
355	L	92.9	Very high	95.1	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	163.1	-179.6	-54.2	-175.8	0	0	0	111.2	I255 M338 D341 P342 V343 I353 S357 G358 R359 I361	I255-L355 HydrophobicContact CD1-CD2 4.28Å; M338-L355 HydrophobicContact CE-CD1 3.4Å; M338-L355 VanDerWaalsContact CE-CD1 3.4Å; M338-L355 HydrophobicContact CE-CD2 3.89Å; M338-L355 HydrophobicContact CE-CG 4.32Å; M338-L355 HydrophobicContact SD-CD1 3.98Å; D341-L355 WeakPolarHBondContact OD1-CB 3.16Å; D341-L355 WeakPolarHBondContact OD2-CB 3.18Å; D341-L355 VanDerWaalsContact OD2-CD1 3.31Å; D341-L355 WeakPolarHBondContact OD2-CD1 3.41Å; P342-L355 CarbonylContact O-C 3.4Å; P342-L355 WeakPolarHBondContact O-CA 3.28Å; V343-L355 HydrophobicContact CB-CD2 4.44Å; V343-L355 HydrophobicContact CG2-CD2 3.77Å; I353-L355 HydrophobicContact CD1-CD2 4Å; L355-S357 PolarHBondContact O-N 2.74Å; L355-G358 PolarHBondContact O-N 3.48Å; L355-R359 HydrophobicContact CB-CB 4.27Å; L355-R359 HydrophobicContact CD1-CB 3.96Å; L355-R359 HydrophobicContact CG-CB 4.29Å; L355-R359 PolarHBondContact N-O 2.71Å; L355-I361 HydrophobicContact CD1-CD1 3.93Å; L355-I361 HydrophobicContact CG-CD1 4.39Å
356	A	90.3	Very high	95.3	Very high	24 Å²	24	38.4 Å²	38.4	20%	0.198	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-25	179	0	0	0	0	0	113.2	D341 P342 V344 G358	D341-A356 PolarHBondContact OD1-N 2.99Å; D341-A356 VanDerWaalsContact OD1-N 3.1Å; P342-A356 HydrophobicContact CG-CB 3.93Å; P342-A356 PolarHBondContact O-N 2.85Å; V344-A356 HydrophobicContact CG1-CB 3.73Å; A356-G358 PolarHBondContact O-N 3.14Å
357	S	87.8	Confident	95.4	Very high	21 Å²	21	38.4 Å²	38.4	15%	0.147	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-14	170.2	62.1	0	0	0	0	114.3	D341 L355 R359	D341-S357 PolarHBondContact OD1-N 3.31Å; D341-S357 PolarHBondContact OD1-OG 3.35Å; D341-S357 WeakPolarHBondContact OD2-CB 3.29Å; D341-S357 PolarHBondContact OD2-OG 2.9Å; L355-S357 PolarHBondContact O-N 2.74Å; S357-R359 WeakPolarHBondContact OG-CB 3.37Å; S357-R359 VanDerWaalsContact OG-CG 3.29Å; S357-R359 WeakPolarHBondContact OG-CG 3.19Å; S357-R359 PolarHBondContact OG-N 3.42Å
358	G	89.2	Confident	95.4	Very high	48 Å²	48	37.3 Å²	37.3	50%	0.495	20%	0.196	S	C	.	.	S	Bend	trans	90.8	-5	-171.3	0	0	0	0	0	114.2	L355 A356	L355-G358 PolarHBondContact O-N 3.48Å; A356-G358 PolarHBondContact O-N 3.14Å
359	R	90.7	Very high	95.5	Very high	25 Å²	25	37 Å²	37	9%	0.094	20%	0.195	C	C	.	.			trans	-58.8	145.2	172.7	-72	173.7	179.2	-178.2	-0.9	111	P216 E219 F221 F354 L355 S357	P216-R359 HydrophobicContact CB-CG 4.36Å; E219-R359 IonicContact OE2-CZ 3.78Å; E219-R359 IonicContact OE2-NH1 2.85Å; E219-R359 IonicContact OE2-NH2 2.72Å; E219-R359 PolarHBondContact OE2-NH2 2.92Å; F221-R359 VanDerWaalsContact CD2-NH1 3.32Å; F354-R359 WeakPolarHBondContact CA-O 3.31Å; L355-R359 HydrophobicContact CB-CB 4.27Å; L355-R359 HydrophobicContact CD1-CB 3.96Å; L355-R359 HydrophobicContact CG-CB 4.29Å; L355-R359 PolarHBondContact N-O 2.71Å; S357-R359 WeakPolarHBondContact OG-CB 3.37Å; S357-R359 VanDerWaalsContact OG-CG 3.29Å; S357-R359 WeakPolarHBondContact OG-CG 3.19Å; S357-R359 PolarHBondContact OG-N 3.42Å
360	Q	94.9	Very high	95.4	Very high	122 Å²	122	32.4 Å²	32.4	57%	0.57	17%	0.171	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.9	-179.9	-52.2	-175.3	23.2	0	0	109.6	T352 I353 F354	T352-Q360 HydrophobicContact CG2-CB 4.12Å; I353-Q360 WeakPolarHBondContact O-CA 3.49Å; F354-Q360 HydrophobicContact CD1-CB 4.44Å; F354-Q360 HydrophobicContact CD1-CG 3.6Å; F354-Q360 HydrophobicContact CE1-CB 4.35Å; F354-Q360 HydrophobicContact CE1-CG 3.62Å; F354-Q360 VanDerWaalsContact CE1-OE1 3.3Å
361	I	96.3	Very high	95.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	124.1	-178.3	-49.5	161.9	0	0	0	108.4	F221 V225 I228 L253 T352 I353 L355	F221-I361 HydrophobicContact CD1-CD1 4.39Å; F221-I361 HydrophobicContact CD1-CG1 4.41Å; F221-I361 HydrophobicContact CE1-CD1 3.4Å; F221-I361 HydrophobicContact CE1-CG1 3.83Å; F221-I361 HydrophobicContact CZ-CD1 4.03Å; V225-I361 HydrophobicContact CB-CG2 4.48Å; V225-I361 HydrophobicContact CG2-CG2 4.05Å; I228-I361 HydrophobicContact CD1-CB 4.2Å; I228-I361 HydrophobicContact CD1-CG2 3.79Å; L253-I361 HydrophobicContact CD2-CD1 3.74Å; T352-I361 CarbonylContact C-O 3.56Å; T352-I361 WeakPolarHBondContact CA-O 3.47Å; I353-I361 HydrophobicContact CD1-CB 4.3Å; I353-I361 HydrophobicContact CD1-CD1 4Å; I353-I361 HydrophobicContact CG1-CB 3.85Å; I353-I361 HydrophobicContact CG1-CD1 4.4Å; I353-I361 WeakPolarHBondContact CG1-O 3.12Å; I353-I361 PolarHBondContact N-O 2.97Å; I353-I361 PolarHBondContact O-N 3.44Å; L355-I361 HydrophobicContact CD1-CD1 3.93Å; L355-I361 HydrophobicContact CG-CD1 4.39Å
362	T	98.1	Very high	95	Very high	52 Å²	52	22.5 Å²	22.5	32%	0.319	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	153.9	174.9	61.8	0	0	0	0	111.1	S223 H224 V225 R351 T352	S223-T362 PolarHBondContact O-N 3.43Å; S223-T362 PolarHBondContact O-OG1 2.86Å; H224-T362 WeakPolarHBondContact CA-O 3.45Å; H224-T362 WeakPolarHBondContact CA-OG1 3.43Å; H224-T362 VanDerWaalsContact CB-OG1 3.27Å; H224-T362 WeakPolarHBondContact CB-OG1 3.41Å; H224-T362 PolarHBondContact ND1-O 3.41Å; H224-T362 PolarHBondContact ND1-OG1 3.09Å; V225-T362 PolarHBondContact N-O 3Å; R351-T362 CarbonylContact O-C 3.5Å; R351-T362 VanDerWaalsContact O-CA 3.23Å; R351-T362 WeakPolarHBondContact O-CA 3.06Å; T352-T362 HydrophobicContact CG2-CG2 4.45Å
363	Y	97.7	Very high	94.7	Very high	5 Å²	5	22.9 Å²	22.9	2%	0.02	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	163.4	-177.1	63.3	-98.4	0	0	0	114.1	V225 I228 L346 R351 I353 C366	V225-Y363 WeakPolarHBondContact O-CA 3.41Å; V225-Y363 WeakPolarHBondContact O-CB 3.39Å; I228-Y363 HydrophobicContact CD1-CD1 3.99Å; I228-Y363 HydrophobicContact CD1-CG 4.22Å; L346-Y363 HydrophobicContact CD1-CE1 3.74Å; L346-Y363 WeakPolarHBondContact CD1-OH 3.45Å; R351-Y363 VanDerWaalsContact C-CD1 3.49Å; R351-Y363 HydrophobicContact CB-CD2 4.05Å; R351-Y363 HydrophobicContact CB-CE1 4.3Å; R351-Y363 HydrophobicContact CB-CE2 3.8Å; R351-Y363 HydrophobicContact CB-CG 4.39Å; R351-Y363 VanDerWaalsContact CB-O 3.23Å; R351-Y363 WeakPolarHBondContact CB-O 3.3Å; R351-Y363 WeakPolarHBondContact CD-O 3.08Å; R351-Y363 HydrophobicContact CG-CE2 4.22Å; R351-Y363 WeakPolarHBondContact O-CD1 3.32Å; R351-Y363 WeakPolarHBondContact O-CE1 3.48Å; R351-Y363 PolarHBondContact O-N 3.36Å; I353-Y363 HydrophobicContact CG2-CD1 4.21Å; I353-Y363 HydrophobicContact CG2-CE1 3.98Å; Y363-C366 HydrophobicContact CD1-CB 4.33Å; Y363-C366 HydrophobicContact CD2-CB 3.74Å; Y363-C366 HydrophobicContact CE1-CB 4.02Å; Y363-C366 HydrophobicContact CE2-CB 3.41Å; Y363-C366 VanDerWaalsContact CE2-CB 3.41Å; Y363-C366 HydrophobicContact CG-CB 4.2Å
364	D	97.5	Very high	94.6	Very high	47 Å²	47	24 Å²	24	25%	0.251	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-46.4	168.5	-65.5	-41.5	0	0	0	111.6	H224 P226 L650	H224-D364 IonicContact CE1-OD1 3.55Å; H224-D364 IonicContact NE2-OD1 3.94Å; H224-D364 IonicContact NE2-OD2 2.75Å; P226-D364 WeakPolarHBondContact O-CA 3.35Å; P226-D364 WeakPolarHBondContact O-CB 3.42Å; P226-D364 PolarHBondContact O-N 3.29Å; D364-L650 HydrophobicContact CB-CD1 3.65Å
365	R	97.8	Very high	94.6	Very high	29 Å²	29	27.5 Å²	27.5	11%	0.109	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	139.3	175.9	-62.7	-64.1	180	-83.6	-2.4	111.2	P226 Y227 I228 M646 S649 L650	P226-R365 PolarHBondContact O-N 2.97Å; Y227-R365 WeakPolarHBondContact CA-O 3.38Å; Y227-R365 HydrophobicContact CD1-CB 3.96Å; Y227-R365 HydrophobicContact CE1-CB 4.24Å; Y227-R365 HydrophobicContact CE1-CG 4.33Å; I228-R365 PolarHBondContact N-O 3.49Å; R365-M646 HydrophobicContact CB-CB 4.32Å; R365-M646 HydrophobicContact CB-CE 3.69Å; R365-M646 HydrophobicContact CB-CG 4.38Å; R365-S649 WeakPolarHBondContact CD-OG 3.49Å; R365-S649 PolarHBondContact NE-OG 2.84Å; R365-S649 VanDerWaalsContact NH2-C 3.35Å; R365-S649 PolarHBondContact NH2-O 3.31Å; R365-L650 HydrophobicContact CG-CD1 4.31Å
366	C	98.3	Very high	94.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	138.1	178.2	-179	0	0	0	0	110.4	I228 Y363 G608 V609 F610	I228-C366 CarbonylContact O-C 3.55Å; I228-C366 VanDerWaalsContact O-CA 3.31Å; I228-C366 WeakPolarHBondContact O-CA 3.41Å; Y363-C366 HydrophobicContact CD1-CB 4.33Å; Y363-C366 HydrophobicContact CD2-CB 3.74Å; Y363-C366 HydrophobicContact CE1-CB 4.02Å; Y363-C366 HydrophobicContact CE2-CB 3.41Å; Y363-C366 VanDerWaalsContact CE2-CB 3.41Å; Y363-C366 HydrophobicContact CG-CB 4.2Å; C366-G608 PolarHBondContact N-O 2.77Å; C366-V609 WeakPolarHBondContact O-CA 3.29Å; C366-F610 PolarHBondContact O-N 2.95Å
367	L	98.7	Very high	94.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.4	170.8	176.2	61.8	0	0	0	110	I228 I229 V230 A239 A369 F610 A612 A642 M646	I228-L367 PolarHBondContact O-N 3.44Å; I229-L367 HydrophobicContact CB-CB 4.49Å; I229-L367 HydrophobicContact CG1-CB 4.18Å; I229-L367 HydrophobicContact CG1-CD2 4.37Å; I229-L367 HydrophobicContact CG2-CB 4.33Å; I229-L367 HydrophobicContact CG2-CD2 4Å; I229-L367 HydrophobicContact CG2-CG 4.33Å; V230-L367 PolarHBondContact N-O 2.8Å; A239-L367 HydrophobicContact CB-CD2 3.21Å; L367-A369 HydrophobicContact CD2-CB 4.4Å; L367-A369 HydrophobicContact CG-CB 4.29Å; L367-F610 CarbonylContact C-O 3.59Å; L367-F610 WeakPolarHBondContact CA-O 3.47Å; L367-F610 HydrophobicContact CD1-CB 3.75Å; L367-A612 HydrophobicContact CD1-CB 3.92Å; L367-A642 HydrophobicContact CD1-CB 3.89Å; L367-M646 HydrophobicContact CB-CE 3.88Å; L367-M646 HydrophobicContact CB-SD 3.71Å; L367-M646 HydrophobicContact CD2-SD 4.39Å; L367-M646 HydrophobicContact CG-SD 4.5Å
368	L	98.1	Very high	94.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	101.6	168.2	-58.4	-177.7	0	0	0	109.4	V230 L346 L582 L588 F597 V609 F610 V611 A612	V230-L368 HydrophobicContact CB-CD2 4.08Å; V230-L368 HydrophobicContact CG2-CD2 4.08Å; L346-L368 HydrophobicContact CD2-CD1 4.22Å; L346-L368 HydrophobicContact CD2-CD2 4.17Å; L368-L582 HydrophobicContact CD2-CD1 3.91Å; L368-L588 HydrophobicContact CD1-CD1 3.41Å; L368-L588 VanDerWaalsContact CD1-CD1 3.41Å; L368-F597 HydrophobicContact CB-CE2 4.35Å; L368-F597 HydrophobicContact CD1-CD1 4.35Å; L368-F597 HydrophobicContact CD1-CD2 4.3Å; L368-F597 HydrophobicContact CD1-CE1 4.02Å; L368-F597 HydrophobicContact CD1-CE2 3.99Å; L368-F597 HydrophobicContact CD1-CG 4.47Å; L368-F597 HydrophobicContact CD1-CZ 3.83Å; L368-V609 HydrophobicContact CD1-CG1 4.22Å; L368-V609 HydrophobicContact CG-CG1 4.3Å; L368-F610 PolarHBondContact N-O 3.47Å; L368-V611 HydrophobicContact CB-CG1 4.28Å; L368-V611 HydrophobicContact CB-CG2 4.23Å; L368-V611 HydrophobicContact CD1-CG2 4.47Å; L368-V611 VanDerWaalsContact O-CA 3.31Å; L368-V611 WeakPolarHBondContact O-CA 3.38Å; L368-V611 WeakPolarHBondContact O-CG1 3.37Å; L368-A612 PolarHBondContact O-N 3.48Å
369	A	97.3	Very high	95	Very high	6 Å²	6	43.5 Å²	43.5	5%	0.05	21%	0.208	C	C	.	.			trans	-116.2	37.1	174.9	0	0	0	0	0	110.6	I229 V230 A235 L367 G371	I229-A369 HydrophobicContact CG2-CB 4.33Å; V230-A369 CarbonylContact O-C 3.58Å; V230-A369 VanDerWaalsContact O-CA 3.29Å; V230-A369 WeakPolarHBondContact O-CA 3.15Å; V230-A369 PolarHBondContact O-N 2.82Å; A235-A369 HydrophobicContact CB-CB 4.13Å; L367-A369 HydrophobicContact CD2-CB 4.4Å; L367-A369 HydrophobicContact CG-CB 4.29Å; A369-G371 PolarHBondContact O-N 3.36Å
370	T	94.7	Very high	95.2	Very high	29 Å²	29	42.8 Å²	42.8	18%	0.178	21%	0.206	C	C	.	.			trans	-64.4	-9.8	-172.8	52	0	0	0	0	114.4	V230 N579 L582 A615	V230-T370 HydrophobicContact CG1-CG2 3.97Å; V230-T370 PolarHBondContact O-N 3.43Å; T370-N579 PolarHBondContact O-ND2 3.36Å; T370-N579 PolarHBondContact OG1-O 3.04Å; T370-L582 HydrophobicContact CG2-CD1 4.41Å; T370-A615 WeakPolarHBondContact OG1-CB 3.47Å
371	G	93.5	Very high	95.1	Very high	19 Å²	19	38 Å²	38	20%	0.196	18%	0.183	C	C	.	.			trans	68.8	-150.3	176.4	0	0	0	0	0	113.1	A369 N579	A369-G371 PolarHBondContact O-N 3.36Å; G371-N579 PolarHBondContact O-N 2.9Å; G371-N579 VanDerWaalsContact O-N 3.1Å
372	G	91.9	Very high	95	Very high	9 Å²	9	40.2 Å²	40.2	9%	0.093	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	152.2	178.6	0	0	0	0	0	111.3	E577	G372-E577 CarbonylContact C-O 3.55Å; G372-E577 WeakPolarHBondContact CA-O 3.35Å
373	S	92.3	Very high	94.8	Very high	18 Å²	18	37.8 Å²	37.8	13%	0.126	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	152.1	-177.5	-56.6	0	0	0	0	110.5	R375 I576 E577 N579	S373-R375 PolarHBondContact O-N 3.27Å; S373-I576 CarbonylContact O-C 3.59Å; S373-I576 WeakPolarHBondContact O-CA 3.43Å; S373-I576 WeakPolarHBondContact O-CG2 3.15Å; S373-E577 PolarHBondContact N-O 3.39Å; S373-E577 PolarHBondContact O-N 2.86Å; S373-N579 WeakPolarHBondContact CB-OD1 3.47Å; S373-N579 PolarHBondContact N-OD1 2.96Å; S373-N579 PolarHBondContact OG-ND2 3.48Å; S373-N579 PolarHBondContact OG-OD1 3.38Å
374	P	94.3	Very high	94.6	Very high	24 Å²	24	41.2 Å²	41.2	16%	0.156	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.3	135.1	171.3	-26.8	35.8	0	0	0	111.2	R376 Y398 R400 I576	P374-R376 WeakPolarHBondContact O-CG 3.48Å; P374-R376 PolarHBondContact O-N 3.3Å; P374-Y398 HydrophobicContact CB-CD1 3.64Å; P374-Y398 HydrophobicContact CB-CG 3.95Å; P374-R400 HydrophobicContact CG-CB 3.93Å; P374-I576 HydrophobicContact CG-CD1 4.48Å
375	R	94.1	Very high	94.4	Very high	97 Å²	97	46 Å²	46	37%	0.366	22%	0.221	S	C	.	.			trans	-63.8	124.6	174.9	-178.1	-177.8	-62.3	-166.8	2	109	S373 Y398 I574 G575	S373-R375 PolarHBondContact O-N 3.27Å; R375-Y398 WeakPolarHBondContact O-CE1 3.45Å; R375-I574 HydrophobicContact CB-CD1 4.46Å; R375-I574 HydrophobicContact CB-CG1 4.35Å; R375-I574 HydrophobicContact CG-CD1 4.42Å; R375-I574 VanDerWaalsContact O-CD1 3.31Å; R375-I574 WeakPolarHBondContact O-CD1 3.21Å; R375-I574 WeakPolarHBondContact O-CG1 3.34Å; R375-G575 WeakPolarHBondContact CB-O 3.31Å; R375-G575 PolarHBondContact N-O 2.96Å
376	R	92.9	Very high	94	Very high	79 Å²	79	47.8 Å²	47.8	30%	0.298	24%	0.235	S	C	.	.			trans	-114.7	151	-177.1	-46.5	-174.6	87.4	177.4	0.4	111	P374 E381 Y398	P374-R376 WeakPolarHBondContact O-CG 3.48Å; P374-R376 PolarHBondContact O-N 3.3Å; R376-E381 IonicContact CZ-OE1 3.73Å; R376-E381 IonicContact NE-OE1 3.69Å; R376-E381 PolarHBondContact NE-OE1 2.86Å; R376-E381 IonicContact NH2-OE1 3.47Å; R376-E381 PolarHBondContact NH2-OE1 2.89Å; R376-Y398 HydrophobicContact CB-CE1 4.45Å; R376-Y398 HydrophobicContact CG-CE1 4.1Å; R376-Y398 HydrophobicContact CG-CE2 4.35Å
377	Y	91.6	Very high	93.7	Very high	68 Å²	68	50.2 Å²	50.2	27%	0.267	26%	0.261	S	S	.	.			trans	-126.8	106.3	171.9	-66.2	-61.2	0	0	0	108.2	H379 L380 E381 I574	Y377-H379 PolarHBondContact O-N 3.35Å; Y377-L380 HydrophobicContact CD2-CD1 3.99Å; Y377-L380 HydrophobicContact CG-CD1 4.46Å; Y377-L380 WeakPolarHBondContact O-CA 3.34Å; Y377-L380 WeakPolarHBondContact O-CB 3.49Å; Y377-L380 PolarHBondContact O-N 2.8Å; Y377-E381 PolarHBondContact O-N 3.35Å; Y377-I574 HydrophobicContact CD2-CD1 3.52Å; Y377-I574 HydrophobicContact CE2-CD1 3.29Å
378	K	90.9	Very high	93.4	Very high	171 Å²	171	54.2 Å²	54.2	74%	0.743	28%	0.281	S	S	*	.	H	α-helix	trans	-50.4	-38.5	-174.8	-171.7	174.3	-177.4	174.2	0	113.9	L380 E381 T382	K378-L380 VanDerWaalsContact C-N 3.27Å; K378-L380 PolarHBondContact O-N 3.48Å; K378-E381 PolarHBondContact O-N 3.09Å; K378-T382 PolarHBondContact O-N 3.43Å; K378-T382 VanDerWaalsContact O-N 3.13Å; K378-T382 PolarHBondContact O-OG1 2.88Å
379	H	92.9	Very high	93.1	Very high	114 Å²	114	56.6 Å²	56.6	53%	0.528	29%	0.294	S	S	.	.	H	α-helix	trans	-70	-19.6	178.5	72.8	-82.9	0	0	0	114.3	Y377	Y377-H379 PolarHBondContact O-N 3.35Å
380	L	94.6	Very high	92.9	Very high	9 Å²	9	56.3 Å²	56.3	5%	0.047	29%	0.292	C	S	.	.	H	α-helix	trans	-91.9	-17.9	173.2	-61.4	-174.6	0	0	0	112.3	Y377 K378 V502 L505 F572	Y377-L380 HydrophobicContact CD2-CD1 3.99Å; Y377-L380 HydrophobicContact CG-CD1 4.46Å; Y377-L380 WeakPolarHBondContact O-CA 3.34Å; Y377-L380 WeakPolarHBondContact O-CB 3.49Å; Y377-L380 PolarHBondContact O-N 2.8Å; K378-L380 VanDerWaalsContact C-N 3.27Å; K378-L380 PolarHBondContact O-N 3.48Å; L380-V502 HydrophobicContact CD1-CB 4.34Å; L380-V502 HydrophobicContact CD1-CG1 4.44Å; L380-V502 HydrophobicContact CD2-CB 4.48Å; L380-V502 HydrophobicContact CD2-CG1 3.93Å; L380-L505 WeakPolarHBondContact O-CD1 3.33Å; L380-F572 HydrophobicContact CB-CZ 4.03Å; L380-F572 HydrophobicContact CD1-CE1 3.86Å; L380-F572 HydrophobicContact CD1-CZ 3.99Å
381	E	93.5	Very high	92.8	Very high	22 Å²	22	56.3 Å²	56.3	10%	0.103	29%	0.292	C	S	.	.	H	α-helix	trans	-83.8	-18.3	171.1	-63	178.6	143.6	0	0	111.6	R376 Y377 K378 N389 L390 T391 Y398	R376-E381 IonicContact CZ-OE1 3.73Å; R376-E381 IonicContact NE-OE1 3.69Å; R376-E381 PolarHBondContact NE-OE1 2.86Å; R376-E381 IonicContact NH2-OE1 3.47Å; R376-E381 PolarHBondContact NH2-OE1 2.89Å; Y377-E381 PolarHBondContact O-N 3.35Å; K378-E381 PolarHBondContact O-N 3.09Å; E381-N389 CarbonylContact O-C 3.56Å; E381-N389 PolarHBondContact O-OD1 3.27Å; E381-L390 WeakPolarHBondContact O-CB 3.4Å; E381-L390 WeakPolarHBondContact O-CG 3.5Å; E381-L390 PolarHBondContact O-N 3.09Å; E381-T391 HydrophobicContact CB-CG2 4.32Å; E381-T391 HydrophobicContact CG-CG2 4.05Å; E381-Y398 HydrophobicContact CG-CE2 4.33Å; E381-Y398 WeakPolarHBondContact CG-OH 3.38Å; E381-Y398 WeakPolarHBondContact OE1-CE2 3.09Å; E381-Y398 PolarHBondContact OE1-OH 2.81Å; E381-Y398 VanDerWaalsContact OE1-OH 3.13Å
382	T	94.5	Very high	92.6	Very high	46 Å²	46	61.4 Å²	61.4	28%	0.282	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-95.3	129.1	-179.2	-51.9	0	0	0	0	110.6	K378 S384 G387	K378-T382 PolarHBondContact O-N 3.43Å; K378-T382 VanDerWaalsContact O-N 3.13Å; K378-T382 PolarHBondContact O-OG1 2.88Å; T382-S384 PolarHBondContact O-N 2.93Å; T382-S384 VanDerWaalsContact O-N 3.09Å; T382-G387 WeakPolarHBondContact CG2-O 3.17Å
383	C	94.3	Very high	92.4	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.007	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-61.3	112.7	171	179.1	0	0	0	0	109.5	R385 T386 G387 I388 L390 L507	C383-R385 PolarHBondContact O-N 3.2Å; C383-T386 WeakPolarHBondContact CB-OG1 3.5Å; C383-T386 PolarHBondContact O-N 2.98Å; C383-T386 PolarHBondContact SG-OG1 3.37Å; C383-G387 WeakPolarHBondContact O-CA 3.32Å; C383-G387 PolarHBondContact O-N 2.99Å; C383-I388 HydrophobicContact CB-CB 4.37Å; C383-I388 VanDerWaalsContact CB-O 3.29Å; C383-I388 WeakPolarHBondContact CB-O 3.26Å; C383-I388 PolarHBondContact N-O 2.96Å; C383-L390 HydrophobicContact CB-CD2 3.85Å; C383-L390 HydrophobicContact CB-CG 4.16Å; C383-L507 PolarHBondContact SG-N 3.08Å; C383-L507 VanDerWaalsContact SG-N 3.37Å
384	S	93.7	Very high	92.3	Very high	77 Å²	77	63 Å²	63	54%	0.538	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.1	-176.8	54.3	0	0	0	0	114.9	T382 L505	T382-S384 PolarHBondContact O-N 2.93Å; T382-S384 VanDerWaalsContact O-N 3.09Å; S384-L505 WeakPolarHBondContact CB-O 3.39Å; S384-L505 PolarHBondContact N-O 3.41Å; S384-L505 PolarHBondContact OG-O 3.28Å
385	R	91.5	Very high	92.3	Very high	147 Å²	147	62.2 Å²	62.2	56%	0.555	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-33.8	-179.3	-172.3	168.9	62	97.2	4.8	113.8	C383 L507	C383-R385 PolarHBondContact O-N 3.2Å; R385-L507 PolarHBondContact NH2-O 3.33Å
386	T	90.2	Very high	92.3	Very high	67 Å²	67	57.8 Å²	57.8	41%	0.411	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-13.8	-171.4	61.9	0	0	0	0	114	C383 I388	C383-T386 WeakPolarHBondContact CB-OG1 3.5Å; C383-T386 PolarHBondContact O-N 2.98Å; C383-T386 PolarHBondContact SG-OG1 3.37Å; T386-I388 PolarHBondContact O-N 3.49Å; T386-I388 WeakPolarHBondContact OG1-CD1 3.07Å; T386-I388 WeakPolarHBondContact OG1-CG1 3.23Å; T386-I388 PolarHBondContact OG1-N 3.21Å
387	G	91.6	Very high	92.4	Very high	52 Å²	52	54.6 Å²	54.6	54%	0.536	30%	0.295	S	S	.	.			trans	77.1	-2.4	-174.4	0	0	0	0	0	114.9	T382 C383	T382-G387 WeakPolarHBondContact CG2-O 3.17Å; C383-G387 WeakPolarHBondContact O-CA 3.32Å; C383-G387 PolarHBondContact O-N 2.99Å
388	I	92.2	Very high	92.6	Very high	83 Å²	83	52.1 Å²	52.1	43%	0.426	29%	0.285	S	S	.	.			trans	-66.8	139.6	180	-62.3	170.9	0	0	0	110.2	C383 T386 L390 T393	C383-I388 HydrophobicContact CB-CB 4.37Å; C383-I388 VanDerWaalsContact CB-O 3.29Å; C383-I388 WeakPolarHBondContact CB-O 3.26Å; C383-I388 PolarHBondContact N-O 2.96Å; T386-I388 PolarHBondContact O-N 3.49Å; T386-I388 WeakPolarHBondContact OG1-CD1 3.07Å; T386-I388 WeakPolarHBondContact OG1-CG1 3.23Å; T386-I388 PolarHBondContact OG1-N 3.21Å; I388-L390 PolarHBondContact O-N 3.07Å; I388-T393 HydrophobicContact CG2-CG2 3.57Å
389	N	92.5	Very high	92.8	Very high	51 Å²	51	44.4 Å²	44.4	27%	0.273	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-73.1	115.8	173	-174.5	-1.3	0	0	0	111.2	E381 T391 D392 T393	E381-N389 CarbonylContact O-C 3.56Å; E381-N389 PolarHBondContact O-OD1 3.27Å; N389-T391 VanDerWaalsContact C-N 3.29Å; N389-T391 VanDerWaalsContact CG-OG1 3.3Å; N389-T391 PolarHBondContact ND2-OG1 3.04Å; N389-T391 VanDerWaalsContact ND2-OG1 3.14Å; N389-T391 PolarHBondContact O-N 3.1Å; N389-T391 PolarHBondContact OD1-N 3.29Å; N389-T391 VanDerWaalsContact OD1-N 3.09Å; N389-T391 PolarHBondContact OD1-OG1 3.08Å; N389-D392 HydrophobicContact CB-CB 4.34Å; N389-D392 VanDerWaalsContact CB-OD2 3.27Å; N389-D392 WeakPolarHBondContact CB-OD2 3.4Å; N389-D392 VanDerWaalsContact ND2-CG 3.28Å; N389-D392 PolarHBondContact ND2-OD1 2.69Å; N389-D392 VanDerWaalsContact ND2-OD1 3.14Å; N389-D392 PolarHBondContact ND2-OD2 3.05Å; N389-D392 PolarHBondContact O-N 2.87Å; N389-T393 WeakPolarHBondContact O-CG2 3.35Å; N389-T393 PolarHBondContact O-N 3.1Å
390	L	93.5	Very high	92.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-23.6	-176.7	-63.5	172.6	0	0	0	113	E381 C383 I388 T393 G394 H395 V396 L505 L507	E381-L390 WeakPolarHBondContact O-CB 3.4Å; E381-L390 WeakPolarHBondContact O-CG 3.5Å; E381-L390 PolarHBondContact O-N 3.09Å; C383-L390 HydrophobicContact CB-CD2 3.85Å; C383-L390 HydrophobicContact CB-CG 4.16Å; I388-L390 PolarHBondContact O-N 3.07Å; L390-T393 WeakPolarHBondContact CA-OG1 3.33Å; L390-T393 PolarHBondContact O-N 3.14Å; L390-T393 PolarHBondContact O-OG1 3.45Å; L390-G394 PolarHBondContact O-N 2.78Å; L390-H395 PolarHBondContact O-N 3.2Å; L390-V396 HydrophobicContact CB-CB 4.01Å; L390-V396 HydrophobicContact CB-CG2 3.56Å; L390-V396 HydrophobicContact CD1-CG2 4.06Å; L390-V396 HydrophobicContact CG-CG2 4.43Å; L390-V396 PolarHBondContact O-N 2.71Å; L390-L505 HydrophobicContact CD1-CB 3.35Å; L390-L505 HydrophobicContact CD1-CD1 3.9Å; L390-L505 HydrophobicContact CD1-CG 4.24Å; L390-L507 HydrophobicContact CD2-CD1 4.12Å; L390-L507 HydrophobicContact CD2-CD2 3.67Å; L390-L507 HydrophobicContact CD2-CG 3.56Å
391	T	91.9	Very high	92.5	Very high	28 Å²	28	42 Å²	42	17%	0.172	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-41.2	174.2	62.1	0	0	0	0	110.8	E381 N389 T393 G394 V396 Y398	E381-T391 HydrophobicContact CB-CG2 4.32Å; E381-T391 HydrophobicContact CG-CG2 4.05Å; N389-T391 VanDerWaalsContact C-N 3.29Å; N389-T391 VanDerWaalsContact CG-OG1 3.3Å; N389-T391 PolarHBondContact ND2-OG1 3.04Å; N389-T391 VanDerWaalsContact ND2-OG1 3.14Å; N389-T391 PolarHBondContact O-N 3.1Å; N389-T391 PolarHBondContact OD1-N 3.29Å; N389-T391 VanDerWaalsContact OD1-N 3.09Å; N389-T391 PolarHBondContact OD1-OG1 3.08Å; T391-T393 PolarHBondContact O-N 3Å; T391-G394 PolarHBondContact O-N 3.29Å; T391-V396 WeakPolarHBondContact CA-O 3.11Å; T391-V396 HydrophobicContact CG2-CB 4.32Å; T391-V396 HydrophobicContact CG2-CG1 4.12Å; T391-Y398 HydrophobicContact CG2-CE2 4.23Å
392	D	88.9	Confident	92.2	Very high	127 Å²	127	41.1 Å²	41.1	68%	0.679	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-26.8	-178.7	-53.4	-12.3	0	0	0	110.8	N389 G394	N389-D392 HydrophobicContact CB-CB 4.34Å; N389-D392 VanDerWaalsContact CB-OD2 3.27Å; N389-D392 WeakPolarHBondContact CB-OD2 3.4Å; N389-D392 VanDerWaalsContact ND2-CG 3.28Å; N389-D392 PolarHBondContact ND2-OD1 2.69Å; N389-D392 VanDerWaalsContact ND2-OD1 3.14Å; N389-D392 PolarHBondContact ND2-OD2 3.05Å; N389-D392 PolarHBondContact O-N 2.87Å; D392-G394 VanDerWaalsContact C-N 3.27Å; D392-G394 PolarHBondContact O-N 2.87Å
393	T	88.9	Confident	91.8	Very high	32 Å²	32	39.8 Å²	39.8	20%	0.196	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-8.4	171.6	68.3	0	0	0	0	114.1	I388 N389 L390 T391 H395 L507	I388-T393 HydrophobicContact CG2-CG2 3.57Å; N389-T393 WeakPolarHBondContact O-CG2 3.35Å; N389-T393 PolarHBondContact O-N 3.1Å; L390-T393 WeakPolarHBondContact CA-OG1 3.33Å; L390-T393 PolarHBondContact O-N 3.14Å; L390-T393 PolarHBondContact O-OG1 3.45Å; T391-T393 PolarHBondContact O-N 3Å; T393-H395 VanDerWaalsContact C-N 3.33Å; T393-H395 VanDerWaalsContact CB-ND1 3.35Å; T393-H395 WeakPolarHBondContact CB-ND1 3.45Å; T393-H395 PolarHBondContact O-N 2.82Å; T393-H395 PolarHBondContact O-ND1 3.33Å; T393-H395 PolarHBondContact OG1-ND1 2.8Å; T393-L507 HydrophobicContact CG2-CD1 4.34Å
394	G	89.8	Confident	91.7	Very high	29 Å²	29	41.4 Å²	41.4	30%	0.299	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	6.1	-179.7	0	0	0	0	0	116	L390 T391 D392 H569	L390-G394 PolarHBondContact O-N 2.78Å; T391-G394 PolarHBondContact O-N 3.29Å; D392-G394 VanDerWaalsContact C-N 3.27Å; D392-G394 PolarHBondContact O-N 2.87Å; G394-H569 PolarHBondContact O-CE1 3.3Å; G394-H569 PolarHBondContact O-ND1 2.91Å
395	H	93.3	Very high	91.6	Very high	7 Å²	7	37.8 Å²	37.8	3%	0.032	21%	0.212	C	C	.	.	S	Bend	trans	-91.9	-11.8	-179.5	-54.6	83.6	0	0	0	114.3	L390 T393 G546 V548 H569 V570	L390-H395 PolarHBondContact O-N 3.2Å; T393-H395 VanDerWaalsContact C-N 3.33Å; T393-H395 VanDerWaalsContact CB-ND1 3.35Å; T393-H395 WeakPolarHBondContact CB-ND1 3.45Å; T393-H395 PolarHBondContact O-N 2.82Å; T393-H395 PolarHBondContact O-ND1 3.33Å; T393-H395 PolarHBondContact OG1-ND1 2.8Å; H395-G546 PolarHBondContact CD2-O 2.88Å; H395-G546 WeakPolarHBondContact NE2-CA 3.21Å; H395-G546 PolarHBondContact NE2-O 3.4Å; H395-V548 HydrophobicContact CB-CG2 3.22Å; H395-H569 VanDerWaalsContact C-ND1 3.29Å; H395-H569 PolarHBondContact O-ND1 2.82Å; H395-V570 PolarHBondContact O-N 2.85Å
396	V	95.4	Very high	91.4	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.024	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.5	174.5	172.7	0	0	0	0	107.5	L390 T391 Y398 L505 V570 F572	L390-V396 HydrophobicContact CB-CB 4.01Å; L390-V396 HydrophobicContact CB-CG2 3.56Å; L390-V396 HydrophobicContact CD1-CG2 4.06Å; L390-V396 HydrophobicContact CG-CG2 4.43Å; L390-V396 PolarHBondContact O-N 2.71Å; T391-V396 WeakPolarHBondContact CA-O 3.11Å; T391-V396 HydrophobicContact CG2-CB 4.32Å; T391-V396 HydrophobicContact CG2-CG1 4.12Å; V396-Y398 HydrophobicContact CG1-CE2 4.46Å; V396-L505 HydrophobicContact CG2-CD1 3.6Å; V396-V570 WeakPolarHBondContact CA-O 3.36Å; V396-V570 HydrophobicContact CG2-CB 4.29Å; V396-F572 HydrophobicContact CG1-CD2 3.7Å; V396-F572 HydrophobicContact CG1-CE2 3.62Å
397	S	95.7	Very high	91.4	Very high	12 Å²	12	33.9 Å²	33.9	8%	0.084	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	166.4	173.7	77.7	0	0	0	0	112.1	H569 V570 V571 F572	S397-H569 WeakPolarHBondContact CB-NE2 2.85Å; S397-H569 PolarHBondContact OG-NE2 2.91Å; S397-V570 PolarHBondContact N-O 3.35Å; S397-V571 WeakPolarHBondContact O-CA 3.45Å; S397-F572 PolarHBondContact O-N 3.3Å
398	Y	95.6	Very high	91.5	Very high	15 Å²	15	31.4 Å²	31.4	6%	0.059	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	179.9	168.6	-66.6	-91	0	0	0	108.5	P374 R375 R376 E381 T391 V396 F572	P374-Y398 HydrophobicContact CB-CD1 3.64Å; P374-Y398 HydrophobicContact CB-CG 3.95Å; R375-Y398 WeakPolarHBondContact O-CE1 3.45Å; R376-Y398 HydrophobicContact CB-CE1 4.45Å; R376-Y398 HydrophobicContact CG-CE1 4.1Å; R376-Y398 HydrophobicContact CG-CE2 4.35Å; E381-Y398 HydrophobicContact CG-CE2 4.33Å; E381-Y398 WeakPolarHBondContact CG-OH 3.38Å; E381-Y398 WeakPolarHBondContact OE1-CE2 3.09Å; E381-Y398 PolarHBondContact OE1-OH 2.81Å; E381-Y398 VanDerWaalsContact OE1-OH 3.13Å; T391-Y398 HydrophobicContact CG2-CE2 4.23Å; V396-Y398 HydrophobicContact CG1-CE2 4.46Å; Y398-F572 HydrophobicContact CD1-CB 3.66Å; Y398-F572 HydrophobicContact CE1-CB 3.43Å; Y398-F572 VanDerWaalsContact CE1-CB 3.43Å; Y398-F572 HydrophobicContact CE1-CD2 4.24Å; Y398-F572 HydrophobicContact CE1-CG 4.06Å
399	F	94.2	Very high	91.5	Very high	9 Å²	9	27.7 Å²	27.7	4%	0.039	15%	0.148	C	C	.	.			trans	-146	116.8	-178	-161.6	-85.6	0	0	0	112	L285 W290 D404 Y405 L408 L431 L435 V571	L285-F399 HydrophobicContact CB-CE1 3.8Å; L285-F399 HydrophobicContact CB-CZ 4.02Å; L285-F399 WeakPolarHBondContact O-CZ 3.46Å; W290-F399 HydrophobicContact CZ2-CE2 4.41Å; F399-D404 HydrophobicContact CD2-CB 4.16Å; F399-D404 HydrophobicContact CG-CB 4.47Å; F399-Y405 HydrophobicContact CZ-CD2 4.19Å; F399-L408 HydrophobicContact CD2-CB 4.36Å; F399-L408 HydrophobicContact CD2-CD2 3.63Å; F399-L408 HydrophobicContact CE2-CB 4.22Å; F399-L408 HydrophobicContact CE2-CD2 3.74Å; F399-L431 HydrophobicContact CB-CD2 4.41Å; F399-L431 HydrophobicContact CD1-CD1 3.84Å; F399-L431 HydrophobicContact CD1-CD2 4.49Å; F399-L431 HydrophobicContact CE1-CD1 4.32Å; F399-L435 HydrophobicContact CB-CD1 3.98Å; F399-L435 HydrophobicContact CD1-CD1 4.27Å; F399-L435 HydrophobicContact CD1-CD2 4.12Å; F399-L435 HydrophobicContact CD2-CD1 4.36Å; F399-L435 HydrophobicContact CD2-CD2 4.02Å; F399-L435 HydrophobicContact CE1-CD2 3.98Å; F399-L435 HydrophobicContact CE2-CD2 3.86Å; F399-L435 HydrophobicContact CG-CD1 3.95Å; F399-L435 HydrophobicContact CG-CD2 4.13Å; F399-L435 HydrophobicContact CZ-CD2 3.84Å; F399-V571 HydrophobicContact CB-CG2 4.25Å
400	R	91.8	Very high	91.4	Very high	55 Å²	55	30.4 Å²	30.4	21%	0.208	16%	0.163	C	C	.	.	S	Bend	trans	-151.8	-43.6	-178.8	178.8	57.5	176.6	172	3.1	113.7	R282 P374 D404 D614	R282-R400 VanDerWaalsContact NH1-CZ 3.28Å; P374-R400 HydrophobicContact CG-CB 3.93Å; R400-D404 WeakPolarHBondContact CA-OD2 3.41Å; R400-D404 PolarHBondContact N-OD2 3.47Å; R400-D614 IonicContact CZ-OD2 2.65Å; R400-D614 IonicContact NH1-OD2 3.62Å; R400-D614 IonicContact NH2-OD2 3.35Å; R400-D614 PolarHBondContact NH2-OD2 3.04Å
401	N	89	Confident	91.3	Very high	19 Å²	19	31.9 Å²	31.9	10%	0.102	17%	0.17	C	C	.	.	S	Bend	trans	-122.9	-178.6	-165.2	67.4	32.5	0	0	0	112.7	E266 L285 A403 D404 Y405	E266-N401 HydrophobicContact CG-CB 4.07Å; E266-N401 WeakPolarHBondContact OE1-CB 3.43Å; L285-N401 VanDerWaalsContact CD1-C 3.48Å; L285-N401 WeakPolarHBondContact CD1-O 3.39Å; N401-A403 VanDerWaalsContact C-N 3.31Å; N401-A403 PolarHBondContact O-N 3.26Å; N401-A403 WeakPolarHBondContact OD1-CB 3.34Å; N401-A403 PolarHBondContact OD1-N 2.84Å; N401-A403 VanDerWaalsContact OD1-N 3.13Å; N401-D404 PolarHBondContact N-OD2 3.36Å; N401-D404 PolarHBondContact O-N 3.28Å; N401-D404 VanDerWaalsContact OD1-CG 3.22Å; N401-D404 PolarHBondContact OD1-N 3.03Å; N401-D404 PolarHBondContact OD1-OD2 3.33Å; N401-Y405 PolarHBondContact O-N 2.78Å; N401-Y405 VanDerWaalsContact O-N 3.09Å
402	I	86.9	Confident	91.3	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-67.2	-36.1	-175	-69.8	174	0	0	0	110.9	E266 Y280 L285 L313 Y405 R406	E266-I402 PolarHBondContact OE1-N 2.65Å; Y280-I402 HydrophobicContact CD1-CD1 4.46Å; Y280-I402 HydrophobicContact CD2-CD1 3.59Å; Y280-I402 HydrophobicContact CD2-CG1 4.46Å; Y280-I402 HydrophobicContact CE1-CD1 4.21Å; Y280-I402 HydrophobicContact CE2-CD1 3.28Å; Y280-I402 HydrophobicContact CE2-CG1 3.69Å; Y280-I402 HydrophobicContact CG-CD1 4.19Å; L285-I402 HydrophobicContact CD2-CG1 4.1Å; L313-I402 HydrophobicContact CD1-CD1 4.03Å; L313-I402 HydrophobicContact CD2-CD1 4.03Å; L313-I402 HydrophobicContact CG-CD1 4.41Å; I402-Y405 WeakPolarHBondContact O-CB 3.5Å; I402-Y405 PolarHBondContact O-N 2.68Å; I402-R406 HydrophobicContact CG2-CG 4.44Å; I402-R406 WeakPolarHBondContact O-CG 3.25Å; I402-R406 PolarHBondContact O-N 3.31Å
403	A	87	Confident	91.3	Very high	18 Å²	18	25.6 Å²	25.6	15%	0.149	14%	0.136	C	C	.	.	H	α-helix	trans	-61.7	-44.2	175.7	0	0	0	0	0	111.6	P267 I269 N401 Y405 R406 H407	P267-A403 HydrophobicContact CG-CB 3.63Å; I269-A403 HydrophobicContact CG2-CB 4.4Å; N401-A403 VanDerWaalsContact C-N 3.31Å; N401-A403 PolarHBondContact O-N 3.26Å; N401-A403 WeakPolarHBondContact OD1-CB 3.34Å; N401-A403 PolarHBondContact OD1-N 2.84Å; N401-A403 VanDerWaalsContact OD1-N 3.13Å; A403-Y405 VanDerWaalsContact C-N 3.31Å; A403-Y405 PolarHBondContact O-N 2.96Å; A403-R406 PolarHBondContact O-N 2.64Å; A403-H407 WeakPolarHBondContact O-CB 3.5Å; A403-H407 PolarHBondContact O-N 3.15Å
404	D	91.5	Very high	91.4	Very high	36 Å²	36	29.8 Å²	29.8	19%	0.193	15%	0.151	C	C	.	.	H	α-helix	trans	-60.8	-41.5	175.4	-59.3	-39.2	0	0	0	111.8	F399 R400 N401 L408	F399-D404 HydrophobicContact CD2-CB 4.16Å; F399-D404 HydrophobicContact CG-CB 4.47Å; R400-D404 WeakPolarHBondContact CA-OD2 3.41Å; R400-D404 PolarHBondContact N-OD2 3.47Å; N401-D404 PolarHBondContact N-OD2 3.36Å; N401-D404 PolarHBondContact O-N 3.28Å; N401-D404 VanDerWaalsContact OD1-CG 3.22Å; N401-D404 PolarHBondContact OD1-N 3.03Å; N401-D404 PolarHBondContact OD1-OD2 3.33Å; D404-L408 WeakPolarHBondContact O-CB 3.38Å; D404-L408 PolarHBondContact O-N 2.94Å
405	Y	92	Very high	91.4	Very high	1 Å²	1	29.6 Å²	29.6	0%	0.004	14%	0.143	C	C	.	.	H	α-helix	trans	-58.1	-51.5	175.4	168.6	-96	0	0	0	111.5	L285 L289 W290 E297 L301 F399 N401 I402 A403 L408 R409	L285-Y405 HydrophobicContact CD2-CG 4.19Å; L285-Y405 VanDerWaalsContact O-CD2 3.25Å; L285-Y405 WeakPolarHBondContact O-CD2 3.48Å; L289-Y405 HydrophobicContact CB-CE2 4.48Å; L289-Y405 HydrophobicContact CD2-CD1 4.08Å; L289-Y405 HydrophobicContact CD2-CD2 3.99Å; L289-Y405 HydrophobicContact CD2-CE1 3.75Å; L289-Y405 HydrophobicContact CD2-CE2 3.61Å; L289-Y405 HydrophobicContact CD2-CG 4.21Å; L289-Y405 VanDerWaalsContact CD2-CZ 3.49Å; L289-Y405 HydrophobicContact CG-CE1 4.31Å; L289-Y405 HydrophobicContact CG-CE2 3.97Å; W290-Y405 AromaticContact CD1-CE2 3.93Å; W290-Y405 HydrophobicContact CD2-CE2 4.17Å; W290-Y405 AromaticContact CE2-CD2 3.93Å; W290-Y405 AromaticContact CE2-CE2 3.56Å; W290-Y405 HydrophobicContact CG-CE2 4.34Å; W290-Y405 AromaticContact CZ2-CD2 3.92Å; W290-Y405 HydrophobicContact CZ2-CD2 3.92Å; W290-Y405 AromaticContact CZ2-CE2 3.88Å; W290-Y405 HydrophobicContact CZ2-CE2 3.88Å; W290-Y405 AromaticContact NE1-CD2 3.75Å; W290-Y405 AromaticContact NE1-CE2 3.43Å; E297-Y405 WeakPolarHBondContact OE1-CE1 2.97Å; E297-Y405 PolarHBondContact OE1-OH 3.46Å; L301-Y405 HydrophobicContact CD1-CD1 4.28Å; L301-Y405 HydrophobicContact CD1-CE1 3.82Å; F399-Y405 HydrophobicContact CZ-CD2 4.19Å; N401-Y405 PolarHBondContact O-N 2.78Å; N401-Y405 VanDerWaalsContact O-N 3.09Å; I402-Y405 WeakPolarHBondContact O-CB 3.5Å; I402-Y405 PolarHBondContact O-N 2.68Å; A403-Y405 VanDerWaalsContact C-N 3.31Å; A403-Y405 PolarHBondContact O-N 2.96Å; Y405-L408 PolarHBondContact O-N 2.92Å; Y405-R409 WeakPolarHBondContact O-CB 3.46Å; Y405-R409 PolarHBondContact O-N 3.44Å; Y405-R409 PolarHBondContact OH-NE 3.02Å
406	R	88.4	Confident	91.2	Very high	52 Å²	52	30.5 Å²	30.5	20%	0.196	15%	0.146	C	C	.	.	H	α-helix	trans	-61.4	-47.6	-179.6	-71.3	176.5	178.8	-158.8	-3	111.3	E271 I402 A403 L408 R409 D410	E271-R406 VanDerWaalsContact CD-NH1 3.26Å; E271-R406 VanDerWaalsContact CD-NH2 3.27Å; E271-R406 IonicContact OE1-CZ 3.8Å; E271-R406 VanDerWaalsContact OE1-CZ 3.26Å; E271-R406 IonicContact OE1-NH1 2.94Å; E271-R406 PolarHBondContact OE1-NH1 3.43Å; E271-R406 IonicContact OE1-NH2 3.74Å; E271-R406 PolarHBondContact OE1-NH2 3.36Å; E271-R406 IonicContact OE2-CZ 3.25Å; E271-R406 IonicContact OE2-NH1 3.94Å; E271-R406 PolarHBondContact OE2-NH1 2.98Å; E271-R406 IonicContact OE2-NH2 3.4Å; E271-R406 PolarHBondContact OE2-NH2 3.09Å; I402-R406 HydrophobicContact CG2-CG 4.44Å; I402-R406 WeakPolarHBondContact O-CG 3.25Å; I402-R406 PolarHBondContact O-N 3.31Å; A403-R406 PolarHBondContact O-N 2.64Å; R406-L408 PolarHBondContact O-N 3.27Å; R406-R409 PolarHBondContact O-N 3.16Å; R406-D410 WeakPolarHBondContact O-CB 3.37Å; R406-D410 VanDerWaalsContact O-CG 3.31Å; R406-D410 PolarHBondContact O-N 3.43Å
407	H	90.3	Very high	90.8	Very high	80 Å²	80	39.2 Å²	39.2	37%	0.37	18%	0.178	S	C	.	.	H	α-helix	trans	-56.3	-50	177.5	176.5	72.7	0	0	0	111.9	A403 D410 L411	A403-H407 WeakPolarHBondContact O-CB 3.5Å; A403-H407 PolarHBondContact O-N 3.15Å; H407-D410 PolarHBondContact O-N 2.96Å; H407-L411 VanDerWaalsContact O-CB 3.3Å; H407-L411 WeakPolarHBondContact O-CB 3.25Å; H407-L411 PolarHBondContact O-N 2.73Å
408	L	93.6	Very high	90	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-70	-34.5	-177.9	-170.7	63.2	0	0	0	112.3	W290 F399 D404 Y405 R406 A412 L435 L439 V571	W290-L408 HydrophobicContact CH2-CB 4.49Å; W290-L408 HydrophobicContact CH2-CD2 4.36Å; W290-L408 HydrophobicContact CH2-CG 4.19Å; W290-L408 HydrophobicContact CZ2-CD2 4.43Å; F399-L408 HydrophobicContact CD2-CB 4.36Å; F399-L408 HydrophobicContact CD2-CD2 3.63Å; F399-L408 HydrophobicContact CE2-CB 4.22Å; F399-L408 HydrophobicContact CE2-CD2 3.74Å; D404-L408 WeakPolarHBondContact O-CB 3.38Å; D404-L408 PolarHBondContact O-N 2.94Å; Y405-L408 PolarHBondContact O-N 2.92Å; R406-L408 PolarHBondContact O-N 3.27Å; L408-A412 WeakPolarHBondContact O-CB 3.42Å; L408-A412 PolarHBondContact O-N 3.18Å; L408-L435 HydrophobicContact CD2-CD2 4.04Å; L408-L439 HydrophobicContact CD1-CD2 4.23Å; L408-L439 HydrophobicContact CD2-CD2 4.09Å; L408-L439 HydrophobicContact CG-CD2 3.9Å; L408-V571 HydrophobicContact CD2-CG2 4.36Å
409	R	91.6	Very high	89.2	Confident	5 Å²	5	46.3 Å²	46.3	2%	0.019	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-51.6	173.9	-178	64.2	140.4	-177.9	0.7	111	W290 E297 Y405 R406 L411 A412 D413	W290-R409 VanDerWaalsContact CE3-NH1 3.26Å; W290-R409 HydrophobicContact CH2-CB 4.37Å; W290-R409 PolarHBondContact O-NH1 3.48Å; W290-R409 PolarHBondContact O-NH2 2.99Å; E297-R409 IonicContact OE1-CZ 2.98Å; E297-R409 IonicContact OE1-NE 2.71Å; E297-R409 PolarHBondContact OE1-NE 2.98Å; E297-R409 IonicContact OE1-NH2 3.31Å; E297-R409 IonicContact OE2-CZ 3.63Å; E297-R409 IonicContact OE2-NE 3.86Å; E297-R409 PolarHBondContact OE2-NE 3.32Å; E297-R409 IonicContact OE2-NH2 3.81Å; E297-R409 PolarHBondContact OE2-NH2 3.5Å; Y405-R409 WeakPolarHBondContact O-CB 3.46Å; Y405-R409 PolarHBondContact O-N 3.44Å; Y405-R409 PolarHBondContact OH-NE 3.02Å; R406-R409 PolarHBondContact O-N 3.16Å; R409-L411 VanDerWaalsContact C-N 3.33Å; R409-L411 PolarHBondContact O-N 3.47Å; R409-A412 PolarHBondContact O-N 2.99Å; R409-D413 WeakPolarHBondContact O-CB 3.43Å; R409-D413 PolarHBondContact O-N 2.78Å
410	D	90.4	Very high	88.7	Confident	108 Å²	108	46.4 Å²	46.4	58%	0.578	24%	0.238	S	C	*	.	H	α-helix	trans	-62.6	-41.3	-179.9	-72.6	-17	0	0	0	111.8	R406 H407 D413 K414	R406-D410 WeakPolarHBondContact O-CB 3.37Å; R406-D410 VanDerWaalsContact O-CG 3.31Å; R406-D410 PolarHBondContact O-N 3.43Å; H407-D410 PolarHBondContact O-N 2.96Å; D410-D413 PolarHBondContact O-N 3.18Å; D410-K414 VanDerWaalsContact O-CB 3.3Å; D410-K414 WeakPolarHBondContact O-CB 3.23Å; D410-K414 PolarHBondContact O-N 2.86Å
411	L	91.7	Very high	88.6	Confident	31 Å²	31	44.1 Å²	44.1	16%	0.162	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-48.5	175.5	-178.2	144.3	0	0	0	111.5	H407 R409 D413 K414 L415 I423 H569	H407-L411 VanDerWaalsContact O-CB 3.3Å; H407-L411 WeakPolarHBondContact O-CB 3.25Å; H407-L411 PolarHBondContact O-N 2.73Å; R409-L411 VanDerWaalsContact C-N 3.33Å; R409-L411 PolarHBondContact O-N 3.47Å; L411-D413 VanDerWaalsContact C-N 3.32Å; L411-D413 PolarHBondContact O-N 3.27Å; L411-K414 PolarHBondContact O-N 2.97Å; L411-L415 HydrophobicContact CD2-CD1 3.67Å; L411-L415 HydrophobicContact CD2-CG 4.42Å; L411-L415 HydrophobicContact CG-CD1 4.42Å; L411-L415 WeakPolarHBondContact O-CG 3.27Å; L411-L415 PolarHBondContact O-N 3.17Å; L411-I423 HydrophobicContact CD2-CD1 3.66Å; L411-I423 HydrophobicContact CD2-CG1 4.12Å; L411-H569 HydrophobicContact CD1-CB 3.98Å; L411-H569 WeakPolarHBondContact CD1-ND1 3.26Å; L411-H569 HydrophobicContact CD2-CB 3.8Å
412	A	92	Very high	88.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.4	-42.6	178.3	0	0	0	0	0	111.5	L408 R409 L415 R416 I423 L439 L461	L408-A412 WeakPolarHBondContact O-CB 3.42Å; L408-A412 PolarHBondContact O-N 3.18Å; R409-A412 PolarHBondContact O-N 2.99Å; A412-L415 PolarHBondContact O-N 2.95Å; A412-R416 VanDerWaalsContact O-CG 3.25Å; A412-R416 WeakPolarHBondContact O-CG 3.43Å; A412-R416 PolarHBondContact O-N 2.86Å; A412-I423 HydrophobicContact CB-CD1 4.35Å; A412-L439 HydrophobicContact CB-CD2 3.98Å; A412-L461 HydrophobicContact CB-CD2 4.35Å
413	D	89.2	Confident	89.4	Confident	23 Å²	23	45.4 Å²	45.4	12%	0.123	24%	0.235	C	C	.	.	H	α-helix	trans	-67.6	-39.1	178	-77.7	-14.2	0	0	0	112.8	R409 D410 L411 R416 R417	R409-D413 WeakPolarHBondContact O-CB 3.43Å; R409-D413 PolarHBondContact O-N 2.78Å; D410-D413 PolarHBondContact O-N 3.18Å; L411-D413 VanDerWaalsContact C-N 3.32Å; L411-D413 PolarHBondContact O-N 3.27Å; D413-R416 PolarHBondContact O-N 2.95Å; D413-R416 IonicContact OD1-CZ 3.8Å; D413-R416 IonicContact OD1-NH1 2.7Å; D413-R416 PolarHBondContact OD1-NH1 3.36Å; D413-R417 WeakPolarHBondContact O-CG 3.5Å; D413-R417 PolarHBondContact O-N 3.36Å; D413-R417 PolarHBondContact O-NH1 3.25Å
414	K	89.6	Confident	90	Very high	120 Å²	120	44.5 Å²	44.5	52%	0.522	23%	0.227	S	C	.	.	H	α-helix	trans	-61.3	-47.3	173.9	-176.2	180	177.8	-177.3	0	111.4	D410 L411 R416 R417 A418	D410-K414 VanDerWaalsContact O-CB 3.3Å; D410-K414 WeakPolarHBondContact O-CB 3.23Å; D410-K414 PolarHBondContact O-N 2.86Å; L411-K414 PolarHBondContact O-N 2.97Å; K414-R416 VanDerWaalsContact C-N 3.32Å; K414-R416 PolarHBondContact O-N 2.91Å; K414-R417 PolarHBondContact O-N 2.91Å; K414-A418 WeakPolarHBondContact O-CB 3.18Å; K414-A418 PolarHBondContact O-N 2.81Å
415	L	90.6	Very high	90.3	Very high	25 Å²	25	42.8 Å²	42.8	13%	0.131	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-37.3	178.4	-70	177.1	0	0	0	112.2	L411 A412 R417 A418 G420 I423 L461 D568	L411-L415 HydrophobicContact CD2-CD1 3.67Å; L411-L415 HydrophobicContact CD2-CG 4.42Å; L411-L415 HydrophobicContact CG-CD1 4.42Å; L411-L415 WeakPolarHBondContact O-CG 3.27Å; L411-L415 PolarHBondContact O-N 3.17Å; A412-L415 PolarHBondContact O-N 2.95Å; L415-R417 VanDerWaalsContact C-N 3.3Å; L415-R417 PolarHBondContact O-N 2.83Å; L415-A418 PolarHBondContact O-N 2.79Å; L415-G420 CarbonylContact O-C 3.56Å; L415-G420 VanDerWaalsContact O-C 3.23Å; L415-G420 WeakPolarHBondContact O-CA 3.47Å; L415-G420 PolarHBondContact O-N 3.41Å; L415-I423 HydrophobicContact CD1-CD1 4.02Å; L415-I423 HydrophobicContact CD1-CG1 3.77Å; L415-L461 HydrophobicContact CB-CD1 3.99Å; L415-L461 HydrophobicContact CD1-CD1 4.11Å; L415-D568 HydrophobicContact CD1-CB 4.06Å; L415-D568 HydrophobicContact CD2-CB 3.86Å
416	R	88.5	Confident	90.6	Very high	25 Å²	25	43.4 Å²	43.4	9%	0.094	22%	0.222	C	C	.	.	H	α-helix	trans	-61.3	-37.8	174.7	-72.6	166.2	-171.5	156.3	-6.5	112.6	A412 D413 K414 L439 K441 L461	A412-R416 VanDerWaalsContact O-CG 3.25Å; A412-R416 WeakPolarHBondContact O-CG 3.43Å; A412-R416 PolarHBondContact O-N 2.86Å; D413-R416 PolarHBondContact O-N 2.95Å; D413-R416 IonicContact OD1-CZ 3.8Å; D413-R416 IonicContact OD1-NH1 2.7Å; D413-R416 PolarHBondContact OD1-NH1 3.36Å; K414-R416 VanDerWaalsContact C-N 3.32Å; K414-R416 PolarHBondContact O-N 2.91Å; R416-L439 PolarHBondContact NH2-O 3.21Å; R416-K441 PolarHBondContact NH2-O 3.25Å; R416-L461 HydrophobicContact CG-CB 3.93Å; R416-L461 HydrophobicContact CG-CD2 4.01Å
417	R	86.7	Confident	91	Very high	187 Å²	187	41.3 Å²	41.3	71%	0.706	22%	0.216	S	C	*	.	H	α-helix	trans	-76.6	-33.2	178.9	-68.8	-171	-63.5	-89.8	2.2	113.4	D413 K414 L415 S419	D413-R417 WeakPolarHBondContact O-CG 3.5Å; D413-R417 PolarHBondContact O-N 3.36Å; D413-R417 PolarHBondContact O-NH1 3.25Å; K414-R417 PolarHBondContact O-N 2.91Å; L415-R417 VanDerWaalsContact C-N 3.3Å; L415-R417 PolarHBondContact O-N 2.83Å; R417-S419 VanDerWaalsContact C-N 3.34Å; R417-S419 PolarHBondContact O-N 2.91Å
418	A	80.5	Confident	91.2	Very high	65 Å²	65	37.7 Å²	37.7	54%	0.537	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	23.4	-166.3	0	0	0	0	0	116.2	K414 L415	K414-A418 WeakPolarHBondContact O-CB 3.18Å; K414-A418 PolarHBondContact O-N 2.81Å; L415-A418 PolarHBondContact O-N 2.79Å
419	S	78	Confident	91.3	Very high	111 Å²	111	39 Å²	39	78%	0.776	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	95	-0.4	-171.2	78.9	0	0	0	0	116.7	R417	R417-S419 VanDerWaalsContact C-N 3.34Å; R417-S419 PolarHBondContact O-N 2.91Å
420	G	83.5	Confident	91.4	Very high	12 Å²	12	40.6 Å²	40.6	12%	0.124	22%	0.22	C	C	.	.			trans	110.2	-178	-175	0	0	0	0	0	112.1	L415 K460	L415-G420 CarbonylContact O-C 3.56Å; L415-G420 VanDerWaalsContact O-C 3.23Å; L415-G420 WeakPolarHBondContact O-CA 3.47Å; L415-G420 PolarHBondContact O-N 3.41Å; G420-K460 VanDerWaalsContact CA-O 3.31Å; G420-K460 WeakPolarHBondContact CA-O 3.5Å
421	G	90.7	Very high	91.6	Very high	6 Å²	6	37.7 Å²	37.7	6%	0.062	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	174.6	-179	0	0	0	0	0	111.5	K460 L461 T462 D568	G421-K460 PolarHBondContact N-O 3.41Å; G421-K460 VanDerWaalsContact N-O 3.11Å; G421-L461 CarbonylContact O-C 3.59Å; G421-L461 WeakPolarHBondContact O-CA 3.41Å; G421-T462 PolarHBondContact O-N 2.73Å; G421-T462 PolarHBondContact O-OG1 2.79Å; G421-D568 WeakPolarHBondContact CA-OD2 3.4Å
422	R	95.1	Very high	91.8	Very high	48 Å²	48	36.2 Å²	36.2	18%	0.181	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	124	177.6	-166.1	167.2	-169.9	-169.8	4.5	109.9	T462 E495 V567 D568 H569	R422-T462 VanDerWaalsContact CA-O 3.28Å; R422-T462 WeakPolarHBondContact CA-O 3.31Å; R422-T462 WeakPolarHBondContact CB-OG1 3.14Å; R422-T462 WeakPolarHBondContact CG-OG1 3.34Å; R422-E495 IonicContact CZ-OE2 2.97Å; R422-E495 IonicContact NH2-OE1 3.69Å; R422-E495 PolarHBondContact NH2-OE1 3.13Å; R422-E495 IonicContact NH2-OE2 2.63Å; R422-E495 PolarHBondContact NH2-OE2 3.39Å; R422-V567 HydrophobicContact CB-CB 4.27Å; R422-V567 HydrophobicContact CB-CG1 4.4Å; R422-V567 HydrophobicContact CG-CB 4.3Å; R422-V567 HydrophobicContact CG-CG1 3.92Å; R422-V567 WeakPolarHBondContact O-CB 3.34Å; R422-D568 PolarHBondContact N-OD2 3.35Å; R422-D568 PolarHBondContact O-N 2.78Å; R422-H569 PolarHBondContact O-N 3.33Å
423	I	97.2	Very high	92	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.5	174.2	-57.6	173.9	0	0	0	108.1	L411 A412 L415 L439 L461 T462 I463 M464 H569 V571	L411-I423 HydrophobicContact CD2-CD1 3.66Å; L411-I423 HydrophobicContact CD2-CG1 4.12Å; A412-I423 HydrophobicContact CB-CD1 4.35Å; L415-I423 HydrophobicContact CD1-CD1 4.02Å; L415-I423 HydrophobicContact CD1-CG1 3.77Å; I423-L439 HydrophobicContact CD1-CD2 4.15Å; I423-L439 HydrophobicContact CG2-CD1 4.13Å; I423-L461 HydrophobicContact CD1-CD1 4.04Å; I423-L461 HydrophobicContact CG1-CD1 4.11Å; I423-T462 PolarHBondContact N-O 3.22Å; I423-I463 HydrophobicContact CB-CD1 3.86Å; I423-I463 HydrophobicContact CD1-CD1 4.32Å; I423-I463 HydrophobicContact CG1-CD1 4.4Å; I423-M464 PolarHBondContact O-N 2.99Å; I423-H569 WeakPolarHBondContact CA-O 3.26Å; I423-H569 HydrophobicContact CG1-CB 4.33Å; I423-H569 HydrophobicContact CG2-CB 4.45Å; I423-V571 HydrophobicContact CG2-CG1 4.31Å
424	A	98.2	Very high	92.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	120.9	169.9	0	0	0	0	0	110.1	I426 M464 L550 V567 H569 V570 V571	A424-I426 HydrophobicContact CB-CD1 4.16Å; A424-M464 CarbonylContact C-O 3.59Å; A424-M464 WeakPolarHBondContact CA-O 3.21Å; A424-M464 HydrophobicContact CB-SD 4.46Å; A424-L550 HydrophobicContact CB-CD2 4.05Å; A424-V567 HydrophobicContact CB-CG1 4.21Å; A424-V567 HydrophobicContact CB-CG2 4.21Å; A424-H569 PolarHBondContact N-O 3.5Å; A424-V570 HydrophobicContact CB-CG1 4.45Å; A424-V570 HydrophobicContact CB-CG2 4.32Å; A424-V570 CarbonylContact O-C 3.56Å; A424-V570 WeakPolarHBondContact O-CA 3.44Å; A424-V571 PolarHBondContact O-N 3.42Å
425	V	98.5	Very high	92.6	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	122.5	168.3	-176.3	0	0	0	0	107.9	L435 S436 L439 I463 M464 H465 A466 V571	V425-L435 HydrophobicContact CG1-CB 4.36Å; V425-S436 WeakPolarHBondContact CB-OG 3.33Å; V425-L439 HydrophobicContact CG2-CD1 3.72Å; V425-I463 HydrophobicContact CG2-CG2 4.04Å; V425-M464 PolarHBondContact N-O 3.23Å; V425-H465 WeakPolarHBondContact O-CA 3.45Å; V425-A466 PolarHBondContact O-N 3.44Å; V425-V571 HydrophobicContact CB-CG1 4.14Å; V425-V571 HydrophobicContact CG1-CG1 4.22Å; V425-V571 HydrophobicContact CG2-CG1 3.73Å
426	I	98.2	Very high	92.8	Very high	14 Å²	14	28.8 Å²	28.8	7%	0.072	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.4	-176.8	-49.7	-59	0	0	0	110.3	A424 A466 V502 L550 V570 V571 F572 A573 I574	A424-I426 HydrophobicContact CB-CD1 4.16Å; I426-A466 CarbonylContact C-O 3.58Å; I426-A466 WeakPolarHBondContact CA-O 3.43Å; I426-A466 HydrophobicContact CD1-CB 3.81Å; I426-V502 HydrophobicContact CD1-CG2 3.8Å; I426-V502 HydrophobicContact CG1-CG2 4.14Å; I426-V502 HydrophobicContact CG2-CG2 3.92Å; I426-L550 HydrophobicContact CD1-CD2 4.08Å; I426-V570 HydrophobicContact CD1-CG1 4.46Å; I426-V570 HydrophobicContact CG1-CG1 3.71Å; I426-V571 PolarHBondContact N-O 3.32Å; I426-F572 HydrophobicContact CB-CD1 3.71Å; I426-F572 HydrophobicContact CB-CE1 3.98Å; I426-F572 HydrophobicContact CG1-CD1 4.1Å; I426-F572 HydrophobicContact CG1-CE1 3.99Å; I426-F572 HydrophobicContact CG2-CD1 3.85Å; I426-F572 HydrophobicContact CG2-CE1 3.88Å; I426-A573 CarbonylContact O-C 3.56Å; I426-A573 WeakPolarHBondContact O-CA 3.33Å; I426-A573 PolarHBondContact O-N 3.48Å; I426-I574 HydrophobicContact CG2-CG2 4.1Å; I426-I574 WeakPolarHBondContact O-CG2 3.38Å
427	G	97.2	Very high	93.1	Very high	8 Å²	8	27.9 Å²	27.9	8%	0.082	16%	0.16	C	C	.	.			trans	127.8	127.3	173.8	0	0	0	0	0	113.3	G429 G432 H465 A466	G427-G429 VanDerWaalsContact C-N 3.32Å; G427-G429 PolarHBondContact O-N 3.19Å; G427-G432 WeakPolarHBondContact O-CA 3.39Å; G427-H465 PolarHBondContact O-NE2 2.86Å; G427-A466 PolarHBondContact N-O 2.84Å
428	G	95.1	Very high	93.4	Very high	4 Å²	4	19.1 Å²	19.1	4%	0.041	13%	0.127	C	C	.	.	S	Bend	trans	-91.2	20.4	-173.1	0	0	0	0	0	115.3	F467 M473	G428-F467 VanDerWaalsContact N-CB 3.28Å; G428-M473 WeakPolarHBondContact O-CE 3.45Å; G428-M473 PolarHBondContact O-N 3.13Å
429	G	94.5	Very high	94	Very high	26 Å²	26	16 Å²	16	27%	0.268	10%	0.102	S	C	.	.	S	Bend	trans	-94.8	173.9	178.3	0	0	0	0	0	112.5	G427 L431 G432 S433 M473	G427-G429 VanDerWaalsContact C-N 3.32Å; G427-G429 PolarHBondContact O-N 3.19Å; G429-L431 VanDerWaalsContact C-N 3.27Å; G429-L431 PolarHBondContact O-N 2.96Å; G429-L431 VanDerWaalsContact O-N 3.12Å; G429-G432 PolarHBondContact O-N 3.21Å; G429-S433 PolarHBondContact O-N 2.79Å; G429-M473 WeakPolarHBondContact O-CE 3.17Å
430	F	93.7	Very high	94.4	Very high	39 Å²	39	13.1 Å²	13.1	17%	0.171	8%	0.077	C	C	.	.	H	α-helix	trans	-42.7	-52.8	-173.1	-65.2	-71.2	0	0	0	113.3	G432 S433 E434 M473 V476 I671 W681 I687	F430-G432 VanDerWaalsContact C-N 3.32Å; F430-G432 PolarHBondContact O-N 3.37Å; F430-S433 PolarHBondContact O-N 2.84Å; F430-E434 WeakPolarHBondContact O-CB 3.34Å; F430-E434 VanDerWaalsContact O-CG 3.25Å; F430-E434 WeakPolarHBondContact O-CG 3.49Å; F430-E434 PolarHBondContact O-N 3.16Å; F430-M473 HydrophobicContact CD1-SD 3.76Å; F430-M473 HydrophobicContact CE1-SD 4.08Å; F430-M473 HydrophobicContact CG-SD 4.31Å; F430-M473 VanDerWaalsContact N-CE 3.27Å; F430-V476 HydrophobicContact CE1-CG1 3.85Å; F430-V476 HydrophobicContact CE1-CG2 4.48Å; F430-V476 HydrophobicContact CE2-CG1 4.15Å; F430-V476 HydrophobicContact CE2-CG2 3.84Å; F430-V476 HydrophobicContact CZ-CB 4.13Å; F430-V476 HydrophobicContact CZ-CG1 3.32Å; F430-V476 HydrophobicContact CZ-CG2 3.81Å; F430-I671 HydrophobicContact CD1-CD1 4.46Å; F430-I671 HydrophobicContact CD2-CD1 3.66Å; F430-I671 HydrophobicContact CE1-CD1 4.44Å; F430-I671 HydrophobicContact CE2-CD1 3.55Å; F430-I671 HydrophobicContact CG-CD1 4.11Å; F430-I671 HydrophobicContact CZ-CD1 3.95Å; F430-W681 AromaticContact CD1-CZ2 3.67Å; F430-W681 HydrophobicContact CD1-CZ2 3.67Å; F430-W681 AromaticContact CD1-NE1 3.75Å; F430-W681 AromaticContact CE1-CE2 3.76Å; F430-W681 AromaticContact CE1-CZ2 3.77Å; F430-W681 HydrophobicContact CE1-CZ2 3.77Å; F430-W681 AromaticContact CE1-NE1 3.21Å; F430-I687 HydrophobicContact CE2-CD1 4.3Å; F430-I687 HydrophobicContact CZ-CD1 3.75Å
431	L	94.8	Very high	94.4	Very high	48 Å²	48	14.7 Å²	14.7	25%	0.251	8%	0.081	S	C	.	.	H	α-helix	trans	-60.4	-38.8	-178	-177.6	61.8	0	0	0	112.9	F399 G429 E434 L435 A573	F399-L431 HydrophobicContact CB-CD2 4.41Å; F399-L431 HydrophobicContact CD1-CD1 3.84Å; F399-L431 HydrophobicContact CD1-CD2 4.49Å; F399-L431 HydrophobicContact CE1-CD1 4.32Å; G429-L431 VanDerWaalsContact C-N 3.27Å; G429-L431 PolarHBondContact O-N 2.96Å; G429-L431 VanDerWaalsContact O-N 3.12Å; L431-E434 PolarHBondContact O-N 3.38Å; L431-L435 HydrophobicContact CD1-CD1 3.9Å; L431-L435 HydrophobicContact CD1-CD2 4.48Å; L431-L435 HydrophobicContact CD1-CG 3.9Å; L431-L435 HydrophobicContact CG-CD1 3.85Å; L431-L435 HydrophobicContact CG-CG 4.25Å; L431-L435 VanDerWaalsContact O-CB 3.28Å; L431-L435 WeakPolarHBondContact O-CB 3.46Å; L431-L435 WeakPolarHBondContact O-CG 3.2Å; L431-L435 PolarHBondContact O-N 2.73Å; L431-A573 HydrophobicContact CB-CB 4.26Å; L431-A573 HydrophobicContact CD2-CB 4.04Å; L431-A573 HydrophobicContact CG-CB 3.96Å
432	G	96.5	Very high	93.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-65.6	-45.4	179.5	0	0	0	0	0	112.3	G427 G429 F430 S436	G427-G432 WeakPolarHBondContact O-CA 3.39Å; G429-G432 PolarHBondContact O-N 3.21Å; F430-G432 VanDerWaalsContact C-N 3.32Å; F430-G432 PolarHBondContact O-N 3.37Å; G432-S436 VanDerWaalsContact O-CB 3.31Å; G432-S436 WeakPolarHBondContact O-CB 3.15Å; G432-S436 PolarHBondContact O-N 3.29Å; G432-S436 PolarHBondContact O-OG 3.48Å
433	S	95.8	Very high	92.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64	-45.6	174.2	-74.8	0	0	0	0	112.4	G429 F430 S436 V437 M473 E489	G429-S433 PolarHBondContact O-N 2.79Å; F430-S433 PolarHBondContact O-N 2.84Å; S433-S436 PolarHBondContact O-N 2.83Å; S433-V437 WeakPolarHBondContact O-CG2 3.41Å; S433-V437 PolarHBondContact O-N 2.86Å; S433-V437 VanDerWaalsContact O-N 3.15Å; S433-M473 VanDerWaalsContact OG-CE 3.3Å; S433-M473 WeakPolarHBondContact OG-CE 3.38Å; S433-E489 WeakPolarHBondContact CA-OE1 3.46Å; S433-E489 WeakPolarHBondContact CB-OE1 3.42Å; S433-E489 PolarHBondContact OG-OE1 2.97Å
434	E	95.3	Very high	90.8	Very high	11 Å²	11	25.6 Å²	25.6	5%	0.051	13%	0.133	C	C	.	.	H	α-helix	trans	-59.5	-49.7	177.8	-73.4	172	-174.6	0	0	111.6	S286 K287 F430 L431 S436 V437 S438 S673 L675	S286-E434 VanDerWaalsContact CB-OE2 3.31Å; S286-E434 WeakPolarHBondContact CB-OE2 3.49Å; S286-E434 PolarHBondContact OG-OE2 3.31Å; K287-E434 WeakPolarHBondContact CE-OE1 3.33Å; K287-E434 WeakPolarHBondContact CE-OE2 3.42Å; K287-E434 HydrophobicContact CG-CG 4.24Å; K287-E434 IonicContact NZ-OE1 2.84Å; F430-E434 WeakPolarHBondContact O-CB 3.34Å; F430-E434 VanDerWaalsContact O-CG 3.25Å; F430-E434 WeakPolarHBondContact O-CG 3.49Å; F430-E434 PolarHBondContact O-N 3.16Å; L431-E434 PolarHBondContact O-N 3.38Å; E434-S436 PolarHBondContact O-N 3.02Å; E434-V437 PolarHBondContact O-N 3.05Å; E434-S438 WeakPolarHBondContact O-CB 3.47Å; E434-S438 PolarHBondContact O-N 3.21Å; E434-S438 PolarHBondContact O-OG 2.71Å; E434-S438 VanDerWaalsContact O-OG 3.06Å; E434-S673 VanDerWaalsContact CD-OG 3.31Å; E434-S673 VanDerWaalsContact CG-OG 3.29Å; E434-S673 WeakPolarHBondContact CG-OG 3.23Å; E434-S673 VanDerWaalsContact OE1-CB 3.22Å; E434-S673 WeakPolarHBondContact OE1-CB 3.23Å; E434-S673 PolarHBondContact OE1-OG 3.4Å; E434-L675 HydrophobicContact CB-CD2 4.39Å; E434-L675 HydrophobicContact CG-CD2 3.92Å
435	L	95.9	Very high	89	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63	-43.4	178.2	-73.1	176.2	0	0	0	111.8	F399 L408 V425 L431 V437 S438 L439 V571 A573	F399-L435 HydrophobicContact CB-CD1 3.98Å; F399-L435 HydrophobicContact CD1-CD1 4.27Å; F399-L435 HydrophobicContact CD1-CD2 4.12Å; F399-L435 HydrophobicContact CD2-CD1 4.36Å; F399-L435 HydrophobicContact CD2-CD2 4.02Å; F399-L435 HydrophobicContact CE1-CD2 3.98Å; F399-L435 HydrophobicContact CE2-CD2 3.86Å; F399-L435 HydrophobicContact CG-CD1 3.95Å; F399-L435 HydrophobicContact CG-CD2 4.13Å; F399-L435 HydrophobicContact CZ-CD2 3.84Å; L408-L435 HydrophobicContact CD2-CD2 4.04Å; V425-L435 HydrophobicContact CG1-CB 4.36Å; L431-L435 HydrophobicContact CD1-CD1 3.9Å; L431-L435 HydrophobicContact CD1-CD2 4.48Å; L431-L435 HydrophobicContact CD1-CG 3.9Å; L431-L435 HydrophobicContact CG-CD1 3.85Å; L431-L435 HydrophobicContact CG-CG 4.25Å; L431-L435 VanDerWaalsContact O-CB 3.28Å; L431-L435 WeakPolarHBondContact O-CB 3.46Å; L431-L435 WeakPolarHBondContact O-CG 3.2Å; L431-L435 PolarHBondContact O-N 2.73Å; L435-V437 VanDerWaalsContact C-N 3.28Å; L435-V437 PolarHBondContact O-N 2.67Å; L435-S438 PolarHBondContact O-N 3.25Å; L435-L439 VanDerWaalsContact O-CB 3.25Å; L435-L439 WeakPolarHBondContact O-CB 3.46Å; L435-L439 WeakPolarHBondContact O-CD1 3.43Å; L435-L439 WeakPolarHBondContact O-CG 3.27Å; L435-L439 PolarHBondContact O-N 3.07Å; L435-V571 HydrophobicContact CD1-CG2 4.28Å; L435-A573 HydrophobicContact CD1-CB 4.37Å
436	S	95.8	Very high	87	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59.3	-41.2	-178.7	-60.8	0	0	0	0	112	V425 G432 S433 E434 H465	V425-S436 WeakPolarHBondContact CB-OG 3.33Å; G432-S436 VanDerWaalsContact O-CB 3.31Å; G432-S436 WeakPolarHBondContact O-CB 3.15Å; G432-S436 PolarHBondContact O-N 3.29Å; G432-S436 PolarHBondContact O-OG 3.48Å; S433-S436 PolarHBondContact O-N 2.83Å; E434-S436 PolarHBondContact O-N 3.02Å; S436-H465 WeakPolarHBondContact OG-CB 3.42Å; S436-H465 PolarHBondContact OG-ND1 3.1Å
437	V	93.7	Very high	84.9	Confident	7 Å²	7	37.4 Å²	37.4	4%	0.042	20%	0.204	C	C	.	.	H	α-helix	trans	-74.6	-43.3	176.5	176	0	0	0	0	111.6	S433 E434 L435 L439 L440 F488 E489 I494 L675	S433-V437 WeakPolarHBondContact O-CG2 3.41Å; S433-V437 PolarHBondContact O-N 2.86Å; S433-V437 VanDerWaalsContact O-N 3.15Å; E434-V437 PolarHBondContact O-N 3.05Å; L435-V437 VanDerWaalsContact C-N 3.28Å; L435-V437 PolarHBondContact O-N 2.67Å; V437-L439 PolarHBondContact O-N 2.8Å; V437-L440 PolarHBondContact O-N 2.62Å; V437-F488 HydrophobicContact CG1-CE1 4.33Å; V437-F488 HydrophobicContact CG2-CE1 4.08Å; V437-E489 HydrophobicContact CG2-CG 4.02Å; V437-I494 HydrophobicContact CG2-CD1 3.82Å; V437-L675 HydrophobicContact CG2-CD2 4.38Å
438	S	92.6	Very high	82.7	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.014	23%	0.227	C	C	.	.	H	α-helix	trans	-67.1	-34.6	-177.4	-73.4	0	0	0	0	113.1	S286 E434 L435 L440 K441	S286-S438 WeakPolarHBondContact O-CB 3.43Å; S286-S438 PolarHBondContact O-OG 3.07Å; E434-S438 WeakPolarHBondContact O-CB 3.47Å; E434-S438 PolarHBondContact O-N 3.21Å; E434-S438 PolarHBondContact O-OG 2.71Å; E434-S438 VanDerWaalsContact O-OG 3.06Å; L435-S438 PolarHBondContact O-N 3.25Å; S438-L440 VanDerWaalsContact C-N 3.26Å; S438-L440 PolarHBondContact O-N 3.32Å; S438-K441 WeakPolarHBondContact O-CB 3.48Å; S438-K441 PolarHBondContact O-N 3.18Å; S438-K441 VanDerWaalsContact O-N 3.09Å
439	L	92.7	Very high	80.6	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-20.6	176.7	-77.4	169.5	0	0	0	114.1	W290 L408 A412 R416 I423 V425 L435 V437 L461 I463	W290-L439 HydrophobicContact CH2-CD2 3.78Å; W290-L439 HydrophobicContact CZ3-CD2 3.86Å; L408-L439 HydrophobicContact CD1-CD2 4.23Å; L408-L439 HydrophobicContact CD2-CD2 4.09Å; L408-L439 HydrophobicContact CG-CD2 3.9Å; A412-L439 HydrophobicContact CB-CD2 3.98Å; R416-L439 PolarHBondContact NH2-O 3.21Å; I423-L439 HydrophobicContact CD1-CD2 4.15Å; I423-L439 HydrophobicContact CG2-CD1 4.13Å; V425-L439 HydrophobicContact CG2-CD1 3.72Å; L435-L439 VanDerWaalsContact O-CB 3.25Å; L435-L439 WeakPolarHBondContact O-CB 3.46Å; L435-L439 WeakPolarHBondContact O-CD1 3.43Å; L435-L439 WeakPolarHBondContact O-CG 3.27Å; L435-L439 PolarHBondContact O-N 3.07Å; V437-L439 PolarHBondContact O-N 2.8Å; L439-L461 WeakPolarHBondContact O-CD2 3.37Å; L439-I463 HydrophobicContact CB-CD1 3.68Å; L439-I463 HydrophobicContact CB-CG1 4.13Å; L439-I463 HydrophobicContact CD1-CD1 4.17Å
440	L	88.3	Confident	78.1	Confident	51 Å²	51	56.3 Å²	56.3	27%	0.267	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-16.4	173.4	-74.6	177.2	0	0	0	113	V437 S438 Q442 I463 K492 I494	V437-L440 PolarHBondContact O-N 2.62Å; S438-L440 VanDerWaalsContact C-N 3.26Å; S438-L440 PolarHBondContact O-N 3.32Å; L440-Q442 PolarHBondContact O-N 3.08Å; L440-I463 HydrophobicContact CD2-CB 4.41Å; L440-I463 HydrophobicContact CD2-CG1 3.6Å; L440-I463 HydrophobicContact CG-CB 4.44Å; L440-I463 HydrophobicContact CG-CG1 3.72Å; L440-K492 HydrophobicContact CD1-CB 4.25Å; L440-K492 WeakPolarHBondContact CD1-O 3.28Å; L440-I494 HydrophobicContact CD1-CD1 4.11Å; L440-I494 HydrophobicContact CD1-CG1 3.4Å; L440-I494 HydrophobicContact CG-CG1 4.42Å
441	K	82.6	Confident	75.7	Confident	45 Å²	45	58.5 Å²	58.5	20%	0.196	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-81.1	125	-174.3	-63.3	-177.5	-174.9	161.8	0	111.3	N291 R416 S438	N291-K441 WeakPolarHBondContact OD1-CD 3.49Å; N291-K441 WeakPolarHBondContact OD1-CE 3.32Å; N291-K441 PolarHBondContact OD1-NZ 3.27Å; R416-K441 PolarHBondContact NH2-O 3.25Å; S438-K441 WeakPolarHBondContact O-CB 3.48Å; S438-K441 PolarHBondContact O-N 3.18Å; S438-K441 VanDerWaalsContact O-N 3.09Å
442	Q	74.2	Confident	73.2	Confident	108 Å²	108	61.3 Å²	61.3	51%	0.505	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-82	141	170.8	-66.4	-177.7	-16.4	0	0	110.1	L440 K444 S459	L440-Q442 PolarHBondContact O-N 3.08Å; Q442-K444 PolarHBondContact O-N 3.34Å; Q442-S459 PolarHBondContact NE2-OG 2.79Å
443	P	68	Low	70.8	Confident	32 Å²	32	65.7 Å²	65.7	21%	0.208	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-60.4	138.5	170.2	24.5	-30.7	0	0	0	109.7	L294 S445	L294-P443 HydrophobicContact CD2-CB 4.03Å; L294-P443 HydrophobicContact CD2-CG 4.2Å; L294-P443 HydrophobicContact CG-CB 3.94Å; L294-P443 HydrophobicContact CG-CG 4.27Å; P443-S445 PolarHBondContact O-N 2.8Å
444	K	65.2	Low	68.2	Low	143 Å²	143	72.7 Å²	72.7	62%	0.622	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-69.2	127.3	176.1	-63.8	-177.6	179.6	-176.9	0	109.2	S293 Q442 T446	S293-K444 WeakPolarHBondContact CB-O 3.34Å; Q442-K444 PolarHBondContact O-N 3.34Å; K444-T446 PolarHBondContact O-N 2.95Å
445	S	59.8	Low	65.5	Low	57 Å²	57	75.9 Å²	75.9	40%	0.399	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-60.4	135.4	170.4	60.2	0	0	0	0	109	P443 D447 S448 D451	P443-S445 PolarHBondContact O-N 2.8Å; S445-D447 PolarHBondContact O-N 2.85Å; S445-S448 PolarHBondContact OG-OG 3.08Å; S445-D451 PolarHBondContact OG-OD2 2.94Å
446	T	57.7	Low	63.1	Low	79 Å²	79	84.3 Å²	84.3	49%	0.485	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-22.1	176.6	43.5	0	0	0	0	112	D295 K444	D295-T446 HydrophobicContact CB-CG2 4.25Å; D295-T446 WeakPolarHBondContact OD2-CG2 3.29Å; K444-T446 PolarHBondContact O-N 2.95Å
447	D	53.4	Low	60.6	Low	126 Å²	126	90.7 Å²	90.7	67%	0.674	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	15.5	-174	-60.8	-25.3	0	0	0	114.1	S445 K449 N450	S445-D447 PolarHBondContact O-N 2.85Å; D447-K449 PolarHBondContact O-N 2.72Å; D447-N450 PolarHBondContact O-N 2.94Å
448	S	50.4	Low	58.7	Low	81 Å²	81	99.1 Å²	99.1	57%	0.566	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	17.2	-178	-104.6	0	0	0	0	116.4	S445 D451	S445-S448 PolarHBondContact OG-OG 3.08Å; S448-D451 PolarHBondContact OG-OD2 2.76Å
449	K	50.9	Low	57	Low	202 Å²	202	100.7 Å²	100.7	88%	0.878	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-21.7	163.2	-79.9	-170.9	176.6	-178.6	0	113	D447	D447-K449 PolarHBondContact O-N 2.72Å
450	N	43.2	Very low	56.4	Low	152 Å²	152	108.3 Å²	108.3	81%	0.813	57%	0.569	S	S	*	*	S	Bend	trans	-125.6	9.8	-176.2	-76.8	-6.4	0	0	0	114.9	D447 N452	D447-N450 PolarHBondContact O-N 2.94Å; N450-N452 PolarHBondContact O-N 3.35Å; N450-N452 VanDerWaalsContact O-N 3.08Å
451	D	43.9	Very low	56.6	Low	85 Å²	85	106.5 Å²	106.5	46%	0.455	56%	0.56	S	S	.	*			trans	-73.4	106.5	179.2	-74.4	-25.1	0	0	0	110.4	S445 S448 P453	S445-D451 PolarHBondContact OG-OD2 2.94Å; S448-D451 PolarHBondContact OG-OD2 2.76Å; D451-P453 WeakPolarHBondContact O-CD 3.48Å
452	N	41.5	Very low	57.2	Low	106 Å²	106	107.1 Å²	107.1	57%	0.567	57%	0.568	S	S	*	*			trans	-59	119.2	171.1	-169.1	9.7	0	0	0	108.8	N450 D454 S455	N450-N452 PolarHBondContact O-N 3.35Å; N450-N452 VanDerWaalsContact O-N 3.08Å; N452-D454 PolarHBondContact O-N 2.57Å; N452-S455 PolarHBondContact O-N 3.38Å; N452-S455 VanDerWaalsContact O-N 3.16Å; N452-S455 PolarHBondContact O-OG 3.33Å
453	P	45.3	Very low	58.3	Low	92 Å²	92	102.1 Å²	102.1	60%	0.597	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-59	-18	-172	19.5	-31.9	0	0	0	114.6	D451	D451-P453 WeakPolarHBondContact O-CD 3.48Å
454	D	42	Very low	59.7	Low	147 Å²	147	100.6 Å²	100.6	79%	0.786	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-85.3	-6.3	-177.2	-67.3	-21.5	0	0	0	114.6	N452 K456	N452-D454 PolarHBondContact O-N 2.57Å; D454-K456 VanDerWaalsContact C-N 3.33Å; D454-K456 PolarHBondContact O-N 2.77Å
455	S	38.5	Very low	61.3	Low	79 Å²	79	93.8 Å²	93.8	55%	0.552	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-90.8	13.1	177.2	71.2	0	0	0	0	114.3	N452 T457	N452-S455 PolarHBondContact O-N 3.38Å; N452-S455 VanDerWaalsContact O-N 3.16Å; N452-S455 PolarHBondContact O-OG 3.33Å; S455-T457 VanDerWaalsContact C-N 3.25Å; S455-T457 PolarHBondContact O-N 3.01Å; S455-T457 PolarHBondContact O-OG1 2.88Å
456	K	44.5	Very low	63.1	Low	177 Å²	177	91.1 Å²	91.1	77%	0.77	49%	0.487	S	S	*	.			trans	-64.5	86.8	174.6	-76.6	-178	-179	174	0	109.9	D454 Q458	D454-K456 VanDerWaalsContact C-N 3.33Å; D454-K456 PolarHBondContact O-N 2.77Å; K456-Q458 PolarHBondContact O-N 2.92Å
457	T	45.1	Very low	65	Low	134 Å²	134	87.6 Å²	87.6	82%	0.822	46%	0.464	S	S	*	.			trans	-60.8	95.5	162	-27.7	0	0	0	0	105.6	S455 S459	S455-T457 VanDerWaalsContact C-N 3.25Å; S455-T457 PolarHBondContact O-N 3.01Å; S455-T457 PolarHBondContact O-OG1 2.88Å; T457-S459 VanDerWaalsContact C-N 3.34Å; T457-S459 PolarHBondContact O-N 2.93Å
458	Q	52.8	Low	66.9	Low	184 Å²	184	89.3 Å²	89.3	86%	0.86	46%	0.461	S	S	*	.			trans	-66.7	95.5	-172.8	-154	171.8	11.4	0	0	107.1	K456 K460	K456-Q458 PolarHBondContact O-N 2.92Å; Q458-K460 PolarHBondContact O-N 3.39Å
459	S	57.6	Low	68.9	Low	35 Å²	35	87.9 Å²	87.9	25%	0.245	45%	0.446	C	S	.	.			trans	-57.2	123.3	-175.9	64.3	0	0	0	0	109.4	Q442 T457 L461	Q442-S459 PolarHBondContact NE2-OG 2.79Å; T457-S459 VanDerWaalsContact C-N 3.34Å; T457-S459 PolarHBondContact O-N 2.93Å; S459-L461 PolarHBondContact O-N 2.92Å
460	K	80.6	Confident	70.9	Confident	159 Å²	159	83.2 Å²	83.2	69%	0.691	43%	0.434	S	S	*	.			trans	-81	40.7	-176.1	-163.5	-178.1	180	-180	0	112.3	G420 G421 Q458	G420-K460 VanDerWaalsContact CA-O 3.31Å; G420-K460 WeakPolarHBondContact CA-O 3.5Å; G421-K460 PolarHBondContact N-O 3.41Å; G421-K460 VanDerWaalsContact N-O 3.11Å; Q458-K460 PolarHBondContact O-N 3.39Å
461	L	91.4	Very high	73.2	Confident	14 Å²	14	77.7 Å²	77.7	7%	0.073	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	123.7	169.2	-178.7	66.5	0	0	0	107.8	A412 L415 R416 G421 I423 L439 S459 I463	A412-L461 HydrophobicContact CB-CD2 4.35Å; L415-L461 HydrophobicContact CB-CD1 3.99Å; L415-L461 HydrophobicContact CD1-CD1 4.11Å; R416-L461 HydrophobicContact CG-CB 3.93Å; R416-L461 HydrophobicContact CG-CD2 4.01Å; G421-L461 CarbonylContact O-C 3.59Å; G421-L461 WeakPolarHBondContact O-CA 3.41Å; I423-L461 HydrophobicContact CD1-CD1 4.04Å; I423-L461 HydrophobicContact CG1-CD1 4.11Å; L439-L461 WeakPolarHBondContact O-CD2 3.37Å; S459-L461 PolarHBondContact O-N 2.92Å; L461-I463 HydrophobicContact CD2-CD1 4.32Å; L461-I463 HydrophobicContact CG-CD1 4.2Å
462	T	94.9	Very high	75.6	Confident	58 Å²	58	73.7 Å²	73.7	36%	0.356	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	139.1	179.7	55.2	0	0	0	0	109.2	G421 R422 I423	G421-T462 PolarHBondContact O-N 2.73Å; G421-T462 PolarHBondContact O-OG1 2.79Å; R422-T462 VanDerWaalsContact CA-O 3.28Å; R422-T462 WeakPolarHBondContact CA-O 3.31Å; R422-T462 WeakPolarHBondContact CB-OG1 3.14Å; R422-T462 WeakPolarHBondContact CG-OG1 3.34Å; I423-T462 PolarHBondContact N-O 3.22Å
463	I	97.2	Very high	78.2	Confident	2 Å²	2	68.6 Å²	68.6	1%	0.01	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126.9	179.9	-55.6	-58.9	0	0	0	108.5	I423 V425 L439 L440 L461 I494 E495	I423-I463 HydrophobicContact CB-CD1 3.86Å; I423-I463 HydrophobicContact CD1-CD1 4.32Å; I423-I463 HydrophobicContact CG1-CD1 4.4Å; V425-I463 HydrophobicContact CG2-CG2 4.04Å; L439-I463 HydrophobicContact CB-CD1 3.68Å; L439-I463 HydrophobicContact CB-CG1 4.13Å; L439-I463 HydrophobicContact CD1-CD1 4.17Å; L440-I463 HydrophobicContact CD2-CB 4.41Å; L440-I463 HydrophobicContact CD2-CG1 3.6Å; L440-I463 HydrophobicContact CG-CB 4.44Å; L440-I463 HydrophobicContact CG-CG1 3.72Å; L461-I463 HydrophobicContact CD2-CD1 4.32Å; L461-I463 HydrophobicContact CG-CD1 4.2Å; I463-I494 HydrophobicContact CB-CG2 4.46Å; I463-I494 HydrophobicContact CG2-CG2 4.2Å; I463-E495 PolarHBondContact O-N 2.85Å
464	M	97.6	Very high	80.4	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	122.9	170.1	170	-174	167.6	0	0	107.9	I423 A424 V425 A466 E495 W497 I552 I565	I423-M464 PolarHBondContact O-N 2.99Å; A424-M464 CarbonylContact C-O 3.59Å; A424-M464 WeakPolarHBondContact CA-O 3.21Å; A424-M464 HydrophobicContact CB-SD 4.46Å; V425-M464 PolarHBondContact N-O 3.23Å; M464-A466 HydrophobicContact CE-CB 3.85Å; M464-E495 WeakPolarHBondContact CA-O 3.26Å; M464-W497 HydrophobicContact CE-CB 3.95Å; M464-W497 HydrophobicContact CE-CD2 3.27Å; M464-W497 HydrophobicContact CE-CE3 3.47Å; M464-W497 VanDerWaalsContact CE-CE3 3.47Å; M464-W497 HydrophobicContact CE-CG 3.48Å; M464-W497 VanDerWaalsContact CE-CG 3.48Å; M464-W497 HydrophobicContact CE-CZ2 4.42Å; M464-W497 HydrophobicContact CE-CZ3 4.12Å; M464-W497 HydrophobicContact CG-CG 4.11Å; M464-W497 HydrophobicContact SD-CD2 4.25Å; M464-W497 HydrophobicContact SD-CG 4.39Å; M464-I552 HydrophobicContact CE-CD1 3.24Å; M464-I565 HydrophobicContact CE-CD1 4.3Å; M464-I565 HydrophobicContact CE-CG2 4.18Å; M464-I565 HydrophobicContact SD-CD1 3.48Å; M464-I565 WeakPolarHBondContact SD-CD1 3.43Å; M464-I565 HydrophobicContact SD-CG1 4.37Å; M464-I565 HydrophobicContact SD-CG2 4.14Å
465	H	98.3	Very high	82.6	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	107.7	177.1	-175.1	-166.1	0	0	0	109.6	V425 G427 S436 F467 E489 I494 E495 L496 W497	V425-H465 WeakPolarHBondContact O-CA 3.45Å; G427-H465 PolarHBondContact O-NE2 2.86Å; S436-H465 WeakPolarHBondContact OG-CB 3.42Å; S436-H465 PolarHBondContact OG-ND1 3.1Å; H465-F467 AromaticContact CD2-CD1 3.85Å; H465-F467 AromaticContact NE2-CD1 3.87Å; H465-F467 WeakPolarHBondContact O-CE1 2.98Å; H465-E489 IonicContact CE1-OE1 2.71Å; H465-E489 IonicContact CE1-OE2 3.93Å; H465-E489 IonicContact CG-OE2 2.67Å; H465-E489 IonicContact ND1-OE1 3.69Å; H465-E489 IonicContact ND1-OE2 3.08Å; H465-E489 PolarHBondContact ND1-OE2 3.26Å; H465-I494 HydrophobicContact CB-CG2 3.71Å; H465-E495 PolarHBondContact N-O 3.21Å; H465-L496 HydrophobicContact CB-CD2 3.95Å; H465-W497 PolarHBondContact O-N 2.84Å
466	A	98	Very high	85.1	Confident	2 Å²	2	56.1 Å²	56.1	2%	0.017	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.2	-176.5	0	0	0	0	0	112.2	V425 I426 G427 M464 W497	V425-A466 PolarHBondContact O-N 3.44Å; I426-A466 CarbonylContact C-O 3.58Å; I426-A466 WeakPolarHBondContact CA-O 3.43Å; I426-A466 HydrophobicContact CD1-CB 3.81Å; G427-A466 PolarHBondContact N-O 2.84Å; M464-A466 HydrophobicContact CE-CB 3.85Å; A466-W497 WeakPolarHBondContact CA-O 3.45Å; A466-W497 HydrophobicContact CB-CB 3.73Å
467	F	97.2	Very high	87.5	Confident	4 Å²	4	47.7 Å²	47.7	2%	0.018	25%	0.25	C	S	.	.			trans	-156.6	161.3	-175.3	48.5	-93.2	0	0	0	112.2	G428 H465 E469 V471 P472 L496 W497 S498 S499 S500	G428-F467 VanDerWaalsContact N-CB 3.28Å; H465-F467 AromaticContact CD2-CD1 3.85Å; H465-F467 AromaticContact NE2-CD1 3.87Å; H465-F467 WeakPolarHBondContact O-CE1 2.98Å; F467-E469 HydrophobicContact CD2-CB 4.16Å; F467-E469 WeakPolarHBondContact CD2-O 3.45Å; F467-E469 VanDerWaalsContact CE2-O 3.3Å; F467-E469 WeakPolarHBondContact CE2-O 3.49Å; F467-V471 VanDerWaalsContact CE2-C 3.4Å; F467-P472 HydrophobicContact CE1-CB 4.26Å; F467-P472 HydrophobicContact CZ-CB 4.34Å; F467-P472 VanDerWaalsContact CZ-CD 3.48Å; F467-P472 HydrophobicContact CZ-CG 4.36Å; F467-L496 HydrophobicContact CE1-CB 4.42Å; F467-L496 HydrophobicContact CE1-CD2 4.22Å; F467-L496 HydrophobicContact CZ-CB 4.38Å; F467-W497 PolarHBondContact N-O 2.71Å; F467-S498 CarbonylContact O-C 3.13Å; F467-S499 PolarHBondContact O-N 2.89Å; F467-S499 VanDerWaalsContact O-N 3.07Å; F467-S500 CarbonylContact C-O 3.58Å; F467-S500 PolarHBondContact O-N 2.77Å
468	R	94.5	Very high	89.7	Confident	163 Å²	163	41.5 Å²	41.5	62%	0.615	21%	0.212	S	C	*	.	S	Bend	trans	-77.6	-29.6	-174	-71.7	-177.8	169.8	166.6	1.7	113.1	S499 D501	R468-S499 WeakPolarHBondContact O-CA 3.33Å; R468-D501 WeakPolarHBondContact CD-OD1 3.44Å; R468-D501 VanDerWaalsContact CG-OD1 3.3Å; R468-D501 WeakPolarHBondContact CG-OD1 3.46Å; R468-D501 IonicContact CZ-OD1 2.78Å; R468-D501 IonicContact NE-OD1 3.4Å; R468-D501 PolarHBondContact NE-OD1 3.14Å; R468-D501 IonicContact NH2-OD1 2.98Å
469	E	92.5	Very high	91.4	Very high	50 Å²	50	37.6 Å²	37.6	23%	0.234	20%	0.203	C	C	.	.	S	Bend	trans	-70.1	165.5	178.5	-62.5	88.9	164.1	0	0	111.9	F467 V471 S475 S499	F467-E469 HydrophobicContact CD2-CB 4.16Å; F467-E469 WeakPolarHBondContact CD2-O 3.45Å; F467-E469 VanDerWaalsContact CE2-O 3.3Å; F467-E469 WeakPolarHBondContact CE2-O 3.49Å; E469-V471 VanDerWaalsContact C-N 3.3Å; E469-V471 VanDerWaalsContact CB-O 3.24Å; E469-V471 WeakPolarHBondContact CB-O 3.18Å; E469-S475 PolarHBondContact OE1-OG 2.8Å; E469-S499 PolarHBondContact O-N 3.18Å
470	T	91.6	Very high	92.8	Very high	105 Å²	105	38.9 Å²	38.9	64%	0.644	21%	0.211	S	C	*	.	S	Bend	trans	-73.7	-25.1	174	51.3	0	0	0	0	112.6	S498	T470-S498 WeakPolarHBondContact O-CB 3.37Å
471	V	92.9	Very high	93.3	Very high	36 Å²	36	31.3 Å²	31.3	22%	0.218	18%	0.178	C	C	.	.	S	Bend	trans	-143.7	149.7	177.5	-73.2	0	0	0	0	109.3	F467 E469 G474 A482	F467-V471 VanDerWaalsContact CE2-C 3.4Å; E469-V471 VanDerWaalsContact C-N 3.3Å; E469-V471 VanDerWaalsContact CB-O 3.24Å; E469-V471 WeakPolarHBondContact CB-O 3.18Å; V471-G474 PolarHBondContact O-N 2.62Å; V471-A482 HydrophobicContact CB-CB 4.45Å; V471-A482 HydrophobicContact CG2-CB 3.56Å
472	P	94.8	Very high	93.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	152	175	28.5	-34.3	0	0	0	110.1	F467 G474 V485	F467-P472 HydrophobicContact CE1-CB 4.26Å; F467-P472 HydrophobicContact CZ-CB 4.34Å; F467-P472 VanDerWaalsContact CZ-CD 3.48Å; F467-P472 HydrophobicContact CZ-CG 4.36Å; P472-G474 PolarHBondContact O-N 3.47Å; P472-G474 VanDerWaalsContact O-N 3.13Å; P472-V485 HydrophobicContact CB-CG1 4.4Å; P472-V485 HydrophobicContact CG-CG1 3.97Å
473	M	94.5	Very high	93.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	10.1	-172.9	-55.7	-60.5	93.3	0	0	114.9	G428 G429 F430 S433 S475 V476 L477 V485 W681	G428-M473 WeakPolarHBondContact O-CE 3.45Å; G428-M473 PolarHBondContact O-N 3.13Å; G429-M473 WeakPolarHBondContact O-CE 3.17Å; F430-M473 HydrophobicContact CD1-SD 3.76Å; F430-M473 HydrophobicContact CE1-SD 4.08Å; F430-M473 HydrophobicContact CG-SD 4.31Å; F430-M473 VanDerWaalsContact N-CE 3.27Å; S433-M473 VanDerWaalsContact OG-CE 3.3Å; S433-M473 WeakPolarHBondContact OG-CE 3.38Å; M473-S475 PolarHBondContact O-N 3.28Å; M473-V476 PolarHBondContact O-N 2.99Å; M473-L477 HydrophobicContact CB-CB 4.22Å; M473-L477 HydrophobicContact CB-CD1 3.58Å; M473-L477 HydrophobicContact CB-CG 3.81Å; M473-L477 HydrophobicContact CG-CD1 3.84Å; M473-L477 HydrophobicContact CG-CG 4.4Å; M473-L477 PolarHBondContact O-N 2.87Å; M473-V485 HydrophobicContact CG-CG1 4.16Å; M473-V485 HydrophobicContact CG-CG2 4.29Å; M473-W681 HydrophobicContact CG-CH2 4.3Å; M473-W681 HydrophobicContact CG-CZ2 4.42Å; M473-W681 HydrophobicContact SD-CH2 4.36Å; M473-W681 HydrophobicContact SD-CZ2 4.02Å
474	G	91.7	Very high	92.8	Very high	23 Å²	23	29.3 Å²	29.3	24%	0.237	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-15	-173.6	0	0	0	0	0	115.3	V471 P472 S689	V471-G474 PolarHBondContact O-N 2.62Å; P472-G474 PolarHBondContact O-N 3.47Å; P472-G474 VanDerWaalsContact O-N 3.13Å; G474-S689 PolarHBondContact O-OG 2.81Å
475	S	89.4	Confident	92.6	Very high	20 Å²	20	29.3 Å²	29.3	14%	0.14	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-16.5	173.8	51.2	0	0	0	0	114.3	E469 M473 D688 S689	E469-S475 PolarHBondContact OE1-OG 2.8Å; M473-S475 PolarHBondContact O-N 3.28Å; S475-D688 WeakPolarHBondContact O-CA 3.33Å; S475-S689 PolarHBondContact O-N 2.75Å
476	V	90.9	Very high	92.4	Very high	12 Å²	12	29.6 Å²	29.6	7%	0.073	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-55.4	-176.2	175.7	0	0	0	0	109.7	F430 M473 I687 Y744	F430-V476 HydrophobicContact CE1-CG1 3.85Å; F430-V476 HydrophobicContact CE1-CG2 4.48Å; F430-V476 HydrophobicContact CE2-CG1 4.15Å; F430-V476 HydrophobicContact CE2-CG2 3.84Å; F430-V476 HydrophobicContact CZ-CB 4.13Å; F430-V476 HydrophobicContact CZ-CG1 3.32Å; F430-V476 HydrophobicContact CZ-CG2 3.81Å; M473-V476 PolarHBondContact O-N 2.99Å; V476-I687 HydrophobicContact CG1-CB 4.35Å; V476-I687 HydrophobicContact CG1-CD1 3.99Å; V476-I687 HydrophobicContact CG1-CG1 4.29Å; V476-Y744 WeakPolarHBondContact O-CE1 3.47Å; V476-Y744 PolarHBondContact O-OH 2.94Å
477	L	93.6	Very high	92.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-90.7	151.3	-170	-65.1	179.2	0	0	0	111.3	M473 L481 A482 V485 S689 L756 W758	M473-L477 HydrophobicContact CB-CB 4.22Å; M473-L477 HydrophobicContact CB-CD1 3.58Å; M473-L477 HydrophobicContact CB-CG 3.81Å; M473-L477 HydrophobicContact CG-CD1 3.84Å; M473-L477 HydrophobicContact CG-CG 4.4Å; M473-L477 PolarHBondContact O-N 2.87Å; L477-L481 HydrophobicContact CB-CB 4.05Å; L477-L481 HydrophobicContact CD1-CB 4.17Å; L477-L481 HydrophobicContact CD2-CD1 4.5Å; L477-L481 HydrophobicContact CG-CB 4.5Å; L477-A482 HydrophobicContact CB-CB 4.11Å; L477-V485 HydrophobicContact CD1-CG2 3.77Å; L477-S689 VanDerWaalsContact O-CB 3.26Å; L477-S689 WeakPolarHBondContact O-CB 3.32Å; L477-S689 PolarHBondContact O-OG 2.9Å; L477-L756 HydrophobicContact CD2-CD1 3.47Å; L477-L756 VanDerWaalsContact CD2-CD1 3.47Å; L477-L756 HydrophobicContact CD2-CD2 4.42Å; L477-W758 HydrophobicContact CD1-CH2 4.42Å; L477-W758 HydrophobicContact CD1-CZ3 3.8Å; L477-W758 HydrophobicContact CD2-CZ3 4.37Å
478	P	91.4	Very high	91.9	Very high	4 Å²	4	35 Å²	35	3%	0.026	19%	0.191	C	C	.	.			trans	-55.3	151	165.2	-19.6	29.4	0	0	0	111	C480 L481 A482 T694 V742	P478-C480 PolarHBondContact O-N 3.21Å; P478-L481 PolarHBondContact O-N 3.11Å; P478-A482 PolarHBondContact O-N 2.97Å; P478-T694 HydrophobicContact CG-CG2 4.05Å; P478-V742 HydrophobicContact CG-CG1 3.63Å; P478-V742 HydrophobicContact CG-CG2 4.41Å
479	P	88.9	Confident	91.8	Very high	103 Å²	103	27.2 Å²	27.2	67%	0.669	16%	0.162	S	C	*	.	H	α-helix	trans	-52.5	-36	-174.7	-30.2	35.5	0	0	0	115.4	S483	P479-S483 VanDerWaalsContact O-CB 3.29Å; P479-S483 WeakPolarHBondContact O-CB 3.48Å; P479-S483 PolarHBondContact O-N 3.07Å
480	C	87.1	Confident	91.9	Very high	61 Å²	61	27.8 Å²	27.8	41%	0.412	17%	0.171	S	C	.	.	H	α-helix	trans	-65.5	-44	178.1	57.4	0	0	0	0	112.6	P478 S483 A484	P478-C480 PolarHBondContact O-N 3.21Å; C480-S483 PolarHBondContact O-N 3.09Å; C480-A484 PolarHBondContact O-N 3.09Å
481	L	91.5	Very high	91.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-72.8	-41.2	178.5	-69.9	-173.3	0	0	0	111.6	L477 P478 S483 A484 V485 F698 L737 V742 W758	L477-L481 HydrophobicContact CB-CB 4.05Å; L477-L481 HydrophobicContact CD1-CB 4.17Å; L477-L481 HydrophobicContact CD2-CD1 4.5Å; L477-L481 HydrophobicContact CG-CB 4.5Å; P478-L481 PolarHBondContact O-N 3.11Å; L481-S483 VanDerWaalsContact C-N 3.28Å; L481-S483 PolarHBondContact O-N 2.95Å; L481-A484 WeakPolarHBondContact O-CA 3.16Å; L481-A484 WeakPolarHBondContact O-CB 3.38Å; L481-A484 PolarHBondContact O-N 3.13Å; L481-V485 PolarHBondContact O-N 2.71Å; L481-F698 HydrophobicContact CD1-CE1 4.42Å; L481-F698 HydrophobicContact CD1-CZ 3.99Å; L481-F698 HydrophobicContact CD2-CE1 3.76Å; L481-F698 HydrophobicContact CD2-CZ 3.59Å; L481-F698 HydrophobicContact CG-CE1 4.48Å; L481-F698 HydrophobicContact CG-CZ 3.92Å; L481-L737 HydrophobicContact CD2-CB 4.49Å; L481-L737 HydrophobicContact CD2-CD1 4.24Å; L481-V742 HydrophobicContact CD1-CG2 3.66Å; L481-W758 HydrophobicContact CB-CH2 4.39Å; L481-W758 HydrophobicContact CB-CZ3 4.25Å; L481-W758 HydrophobicContact CD1-CB 4.48Å; L481-W758 HydrophobicContact CD1-CD2 3.96Å; L481-W758 HydrophobicContact CD1-CE3 3.76Å; L481-W758 HydrophobicContact CD1-CG 4.29Å; L481-W758 HydrophobicContact CD1-CZ3 4.29Å; L481-W758 HydrophobicContact CD2-CD2 3.7Å; L481-W758 HydrophobicContact CD2-CE3 4.09Å; L481-W758 HydrophobicContact CD2-CG 4.13Å; L481-W758 HydrophobicContact CD2-CH2 4.22Å; L481-W758 HydrophobicContact CD2-CZ2 3.87Å; L481-W758 HydrophobicContact CD2-CZ3 4.33Å; L481-W758 HydrophobicContact CG-CD2 4.4Å; L481-W758 HydrophobicContact CG-CE3 4.36Å
482	A	92.5	Very high	91.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.6	-40.5	173.5	0	0	0	0	0	111.6	V471 L477 P478 A484 V485 G486	V471-A482 HydrophobicContact CB-CB 4.45Å; V471-A482 HydrophobicContact CG2-CB 3.56Å; L477-A482 HydrophobicContact CB-CB 4.11Å; P478-A482 PolarHBondContact O-N 2.97Å; A482-A484 VanDerWaalsContact C-N 3.33Å; A482-A484 PolarHBondContact O-N 3.42Å; A482-V485 PolarHBondContact O-N 3.13Å; A482-G486 PolarHBondContact O-N 3.09Å
483	S	91.4	Very high	91.6	Very high	31 Å²	31	32.1 Å²	32.1	22%	0.217	21%	0.205	C	C	.	.	H	α-helix	trans	-64.8	-35.5	172.7	-177	0	0	0	0	112.7	P479 C480 L481 G486 R487	P479-S483 VanDerWaalsContact O-CB 3.29Å; P479-S483 WeakPolarHBondContact O-CB 3.48Å; P479-S483 PolarHBondContact O-N 3.07Å; C480-S483 PolarHBondContact O-N 3.09Å; L481-S483 VanDerWaalsContact C-N 3.28Å; L481-S483 PolarHBondContact O-N 2.95Å; S483-G486 PolarHBondContact O-N 2.87Å; S483-R487 WeakPolarHBondContact O-CG 3.31Å; S483-R487 PolarHBondContact O-N 3.14Å; S483-R487 PolarHBondContact OG-NH2 2.87Å
484	A	89.6	Confident	91.7	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-64.5	-42.3	175.6	0	0	0	0	0	111.1	C480 L481 A482 R487 F488 I734	C480-A484 PolarHBondContact O-N 3.09Å; L481-A484 WeakPolarHBondContact O-CA 3.16Å; L481-A484 WeakPolarHBondContact O-CB 3.38Å; L481-A484 PolarHBondContact O-N 3.13Å; A482-A484 VanDerWaalsContact C-N 3.33Å; A482-A484 PolarHBondContact O-N 3.42Å; A484-R487 PolarHBondContact O-N 3.14Å; A484-F488 WeakPolarHBondContact O-CB 3.2Å; A484-F488 PolarHBondContact O-N 2.96Å; A484-I734 HydrophobicContact CB-CD1 4.41Å; A484-I734 HydrophobicContact CB-CG1 4.19Å
485	V	92.7	Very high	91.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.6	-47.8	172.9	177.3	0	0	0	0	111.1	P472 M473 L477 L481 A482 R487 F488 E489 L675 W681 W758	P472-V485 HydrophobicContact CB-CG1 4.4Å; P472-V485 HydrophobicContact CG-CG1 3.97Å; M473-V485 HydrophobicContact CG-CG1 4.16Å; M473-V485 HydrophobicContact CG-CG2 4.29Å; L477-V485 HydrophobicContact CD1-CG2 3.77Å; L481-V485 PolarHBondContact O-N 2.71Å; A482-V485 PolarHBondContact O-N 3.13Å; V485-R487 PolarHBondContact O-N 3.16Å; V485-F488 WeakPolarHBondContact O-CB 3.44Å; V485-F488 PolarHBondContact O-N 3.23Å; V485-F488 VanDerWaalsContact O-N 3.16Å; V485-E489 HydrophobicContact CG1-CG 4.43Å; V485-E489 PolarHBondContact O-N 3.23Å; V485-L675 HydrophobicContact CG1-CD1 3.62Å; V485-L675 HydrophobicContact CG2-CD1 4.46Å; V485-W681 HydrophobicContact CG2-CH2 4.39Å; V485-W681 HydrophobicContact CG2-CZ3 4.18Å; V485-W758 HydrophobicContact CG2-CH2 3.86Å; V485-W758 HydrophobicContact CG2-CZ3 4.4Å
486	G	93.8	Very high	92.3	Very high	6 Å²	6	36.1 Å²	36.1	6%	0.062	22%	0.217	C	C	.	.	H	α-helix	trans	-61.2	-41.1	178.6	0	0	0	0	0	113.7	A482 S483 F488 S490 L496	A482-G486 PolarHBondContact O-N 3.09Å; S483-G486 PolarHBondContact O-N 2.87Å; G486-F488 VanDerWaalsContact C-N 3.35Å; G486-S490 WeakPolarHBondContact O-CB 3.37Å; G486-S490 PolarHBondContact O-N 2.63Å; G486-S490 PolarHBondContact O-OG 2.81Å; G486-L496 VanDerWaalsContact O-CD1 3.25Å; G486-L496 WeakPolarHBondContact O-CD1 3.41Å
487	R	92.3	Very high	92.6	Very high	107 Å²	107	36.4 Å²	36.4	40%	0.404	22%	0.216	S	C	.	.	H	α-helix	trans	-64.4	-40.9	174.2	-72.9	179.2	-168.7	141.1	9.1	111.7	S483 A484 V485 S490 S491 S733 I734	S483-R487 WeakPolarHBondContact O-CG 3.31Å; S483-R487 PolarHBondContact O-N 3.14Å; S483-R487 PolarHBondContact OG-NH2 2.87Å; A484-R487 PolarHBondContact O-N 3.14Å; V485-R487 PolarHBondContact O-N 3.16Å; R487-S490 PolarHBondContact O-N 3.46Å; R487-S491 WeakPolarHBondContact O-CB 3.27Å; R487-S491 PolarHBondContact O-N 3.34Å; R487-S733 VanDerWaalsContact NH1-CB 3.29Å; R487-S733 PolarHBondContact NH1-OG 2.8Å; R487-I734 HydrophobicContact CB-CD1 4.2Å
488	F	91.8	Very high	92.7	Very high	12 Å²	12	38.4 Å²	38.4	5%	0.053	23%	0.23	C	C	.	.	H	α-helix	trans	-62.8	-48.7	177.1	174.1	-96.4	0	0	0	112.2	V437 A484 V485 G486 S490 S491 K492 L675 E678 I679	V437-F488 HydrophobicContact CG1-CE1 4.33Å; V437-F488 HydrophobicContact CG2-CE1 4.08Å; A484-F488 WeakPolarHBondContact O-CB 3.2Å; A484-F488 PolarHBondContact O-N 2.96Å; V485-F488 WeakPolarHBondContact O-CB 3.44Å; V485-F488 PolarHBondContact O-N 3.23Å; V485-F488 VanDerWaalsContact O-N 3.16Å; G486-F488 VanDerWaalsContact C-N 3.35Å; F488-S490 VanDerWaalsContact C-N 3.31Å; F488-S490 PolarHBondContact O-N 2.62Å; F488-S491 PolarHBondContact O-N 2.72Å; F488-S491 PolarHBondContact O-OG 2.95Å; F488-K492 HydrophobicContact CE1-CG 4.28Å; F488-K492 HydrophobicContact CZ-CD 4.44Å; F488-K492 HydrophobicContact CZ-CG 4.19Å; F488-K492 WeakPolarHBondContact O-CG 3.22Å; F488-K492 PolarHBondContact O-N 3.21Å; F488-K492 VanDerWaalsContact O-N 3.16Å; F488-L675 HydrophobicContact CD1-CB 4.22Å; F488-L675 HydrophobicContact CE1-CB 3.77Å; F488-L675 WeakPolarHBondContact CE1-O 3.46Å; F488-L675 VanDerWaalsContact CZ-O 3.23Å; F488-L675 WeakPolarHBondContact CZ-O 3.33Å; F488-E678 HydrophobicContact CD2-CB 4.44Å; F488-E678 HydrophobicContact CE2-CB 3.84Å; F488-E678 HydrophobicContact CE2-CG 4.1Å; F488-E678 WeakPolarHBondContact CE2-OE2 3.39Å; F488-E678 WeakPolarHBondContact CZ-OE2 3.4Å; F488-I679 HydrophobicContact CB-CD1 3.51Å; F488-I679 HydrophobicContact CD1-CD1 4.06Å; F488-I679 HydrophobicContact CD2-CD1 4Å; F488-I679 HydrophobicContact CD2-CG1 4.32Å; F488-I679 HydrophobicContact CG-CD1 3.58Å; F488-I679 HydrophobicContact CG-CG1 4.31Å
489	E	93.7	Very high	92.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.2	-44	177	-72.2	-174.4	-151.9	0	0	111.4	S433 V437 H465 V485 S491 K492 I494 L496	S433-E489 WeakPolarHBondContact CA-OE1 3.46Å; S433-E489 WeakPolarHBondContact CB-OE1 3.42Å; S433-E489 PolarHBondContact OG-OE1 2.97Å; V437-E489 HydrophobicContact CG2-CG 4.02Å; H465-E489 IonicContact CE1-OE1 2.71Å; H465-E489 IonicContact CE1-OE2 3.93Å; H465-E489 IonicContact CG-OE2 2.67Å; H465-E489 IonicContact ND1-OE1 3.69Å; H465-E489 IonicContact ND1-OE2 3.08Å; H465-E489 PolarHBondContact ND1-OE2 3.26Å; V485-E489 HydrophobicContact CG1-CG 4.43Å; V485-E489 PolarHBondContact O-N 3.23Å; E489-S491 VanDerWaalsContact C-N 3.32Å; E489-S491 PolarHBondContact O-N 3.37Å; E489-K492 PolarHBondContact O-N 3.13Å; E489-I494 HydrophobicContact CB-CB 4.33Å; E489-I494 HydrophobicContact CB-CD1 3.84Å; E489-I494 HydrophobicContact CG-CD1 4.08Å; E489-I494 VanDerWaalsContact O-CB 3.3Å; E489-I494 WeakPolarHBondContact O-CB 3.26Å; E489-I494 WeakPolarHBondContact O-CG1 3.4Å; E489-I494 PolarHBondContact O-N 3.04Å; E489-L496 HydrophobicContact CB-CD2 4.01Å; E489-L496 WeakPolarHBondContact OE2-CD2 3.37Å
490	S	94.2	Very high	93.2	Very high	62 Å²	62	34.9 Å²	34.9	43%	0.434	21%	0.209	S	C	.	.	H	α-helix	trans	-61.5	-39.2	176.5	-56.3	0	0	0	0	112.3	G486 R487 F488 K492 G493 L496	G486-S490 WeakPolarHBondContact O-CB 3.37Å; G486-S490 PolarHBondContact O-N 2.63Å; G486-S490 PolarHBondContact O-OG 2.81Å; R487-S490 PolarHBondContact O-N 3.46Å; F488-S490 VanDerWaalsContact C-N 3.31Å; F488-S490 PolarHBondContact O-N 2.62Å; S490-K492 PolarHBondContact O-N 3.47Å; S490-G493 WeakPolarHBondContact O-CA 3.39Å; S490-G493 PolarHBondContact O-N 3.13Å; S490-L496 VanDerWaalsContact OG-CD1 3.29Å; S490-L496 WeakPolarHBondContact OG-CD1 3.35Å
491	S	91.3	Very high	93.6	Very high	83 Å²	83	33.8 Å²	33.8	58%	0.58	20%	0.199	S	C	*	.	H	α-helix	trans	-69.5	-21.8	179.1	78.4	0	0	0	0	113.1	R487 F488 E489 G493	R487-S491 WeakPolarHBondContact O-CB 3.27Å; R487-S491 PolarHBondContact O-N 3.34Å; F488-S491 PolarHBondContact O-N 2.72Å; F488-S491 PolarHBondContact O-OG 2.95Å; E489-S491 VanDerWaalsContact C-N 3.32Å; E489-S491 PolarHBondContact O-N 3.37Å; S491-G493 PolarHBondContact O-N 2.7Å
492	K	90.5	Very high	93.9	Very high	91 Å²	91	34.9 Å²	34.9	40%	0.396	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-3.3	168.7	-60.7	-56.6	-178.3	-174.6	0	113.4	L440 F488 E489 S490 E678	L440-K492 HydrophobicContact CD1-CB 4.25Å; L440-K492 WeakPolarHBondContact CD1-O 3.28Å; F488-K492 HydrophobicContact CE1-CG 4.28Å; F488-K492 HydrophobicContact CZ-CD 4.44Å; F488-K492 HydrophobicContact CZ-CG 4.19Å; F488-K492 WeakPolarHBondContact O-CG 3.22Å; F488-K492 PolarHBondContact O-N 3.21Å; F488-K492 VanDerWaalsContact O-N 3.16Å; E489-K492 PolarHBondContact O-N 3.13Å; S490-K492 PolarHBondContact O-N 3.47Å; K492-E678 IonicContact NZ-OE1 3.87Å; K492-E678 PolarHBondContact NZ-OE1 2.9Å; K492-E678 IonicContact NZ-OE2 3.92Å
493	G	91.7	Very high	94	Very high	58 Å²	58	36.9 Å²	36.9	60%	0.598	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.4	16	-178.8	0	0	0	0	0	114.2	S490 S491	S490-G493 WeakPolarHBondContact O-CA 3.39Å; S490-G493 PolarHBondContact O-N 3.13Å; S491-G493 PolarHBondContact O-N 2.7Å
494	I	95.7	Very high	94.3	Very high	6 Å²	6	36.5 Å²	36.5	3%	0.031	22%	0.215	C	C	.	.			trans	-78.1	129.9	173.9	-57.1	166.1	0	0	0	108.5	V437 L440 I463 H465 E489 L496	V437-I494 HydrophobicContact CG2-CD1 3.82Å; L440-I494 HydrophobicContact CD1-CD1 4.11Å; L440-I494 HydrophobicContact CD1-CG1 3.4Å; L440-I494 HydrophobicContact CG-CG1 4.42Å; I463-I494 HydrophobicContact CB-CG2 4.46Å; I463-I494 HydrophobicContact CG2-CG2 4.2Å; H465-I494 HydrophobicContact CB-CG2 3.71Å; E489-I494 HydrophobicContact CB-CB 4.33Å; E489-I494 HydrophobicContact CB-CD1 3.84Å; E489-I494 HydrophobicContact CG-CD1 4.08Å; E489-I494 VanDerWaalsContact O-CB 3.3Å; E489-I494 WeakPolarHBondContact O-CB 3.26Å; E489-I494 WeakPolarHBondContact O-CG1 3.4Å; E489-I494 PolarHBondContact O-N 3.04Å; I494-L496 HydrophobicContact CG2-CD2 3.91Å; I494-L496 PolarHBondContact O-N 3.23Å
495	E	96.8	Very high	94.6	Very high	83 Å²	83	36.5 Å²	36.5	39%	0.388	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	107.1	176.9	-169.7	-176.3	153.3	0	0	110.4	R422 I463 M464 H465 W497	R422-E495 IonicContact CZ-OE2 2.97Å; R422-E495 IonicContact NH2-OE1 3.69Å; R422-E495 PolarHBondContact NH2-OE1 3.13Å; R422-E495 IonicContact NH2-OE2 2.63Å; R422-E495 PolarHBondContact NH2-OE2 3.39Å; I463-E495 PolarHBondContact O-N 2.85Å; M464-E495 WeakPolarHBondContact CA-O 3.26Å; H465-E495 PolarHBondContact N-O 3.21Å; E495-W497 PolarHBondContact OE1-NE1 2.82Å
496	L	97.3	Very high	94.7	Very high	39 Å²	39	37.6 Å²	37.6	20%	0.204	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	124.8	-178.2	-58	-171	0	0	0	112.1	H465 F467 G486 E489 S490 I494	H465-L496 HydrophobicContact CB-CD2 3.95Å; F467-L496 HydrophobicContact CE1-CB 4.42Å; F467-L496 HydrophobicContact CE1-CD2 4.22Å; F467-L496 HydrophobicContact CZ-CB 4.38Å; G486-L496 VanDerWaalsContact O-CD1 3.25Å; G486-L496 WeakPolarHBondContact O-CD1 3.41Å; E489-L496 HydrophobicContact CB-CD2 4.01Å; E489-L496 WeakPolarHBondContact OE2-CD2 3.37Å; S490-L496 VanDerWaalsContact OG-CD1 3.29Å; S490-L496 WeakPolarHBondContact OG-CD1 3.35Å; I494-L496 HydrophobicContact CG2-CD2 3.91Å; I494-L496 PolarHBondContact O-N 3.23Å
497	W	97	Very high	94.7	Very high	17 Å²	17	38.4 Å²	38.4	6%	0.064	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	78.7	174.9	-79.4	57	0	0	0	109.1	M464 H465 A466 F467 E495 S500 I552 R554 E563 I565	M464-W497 HydrophobicContact CE-CB 3.95Å; M464-W497 HydrophobicContact CE-CD2 3.27Å; M464-W497 HydrophobicContact CE-CE3 3.47Å; M464-W497 VanDerWaalsContact CE-CE3 3.47Å; M464-W497 HydrophobicContact CE-CG 3.48Å; M464-W497 VanDerWaalsContact CE-CG 3.48Å; M464-W497 HydrophobicContact CE-CZ2 4.42Å; M464-W497 HydrophobicContact CE-CZ3 4.12Å; M464-W497 HydrophobicContact CG-CG 4.11Å; M464-W497 HydrophobicContact SD-CD2 4.25Å; M464-W497 HydrophobicContact SD-CG 4.39Å; H465-W497 PolarHBondContact O-N 2.84Å; A466-W497 WeakPolarHBondContact CA-O 3.45Å; A466-W497 HydrophobicContact CB-CB 3.73Å; F467-W497 PolarHBondContact N-O 2.71Å; E495-W497 PolarHBondContact OE1-NE1 2.82Å; W497-S500 VanDerWaalsContact O-CB 3.24Å; W497-S500 WeakPolarHBondContact O-CB 3.43Å; W497-S500 PolarHBondContact O-OG 2.82Å; W497-I552 HydrophobicContact CE3-CD1 3.98Å; W497-I552 HydrophobicContact CE3-CG2 4.27Å; W497-I552 HydrophobicContact CZ3-CB 4.38Å; W497-I552 HydrophobicContact CZ3-CD1 4.06Å; W497-I552 HydrophobicContact CZ3-CG2 4.5Å; W497-R554 HydrophobicContact CE3-CG 4.37Å; W497-E563 HydrophobicContact CH2-CB 4.37Å; W497-E563 WeakPolarHBondContact CH2-OE2 3.45Å; W497-E563 HydrophobicContact CZ3-CB 4.24Å; W497-E563 WeakPolarHBondContact CZ3-OE2 3.41Å; W497-I565 HydrophobicContact CH2-CB 4.25Å; W497-I565 HydrophobicContact CH2-CD1 3.71Å; W497-I565 HydrophobicContact CH2-CG2 4.46Å; W497-I565 HydrophobicContact CZ2-CD1 3.34Å
498	S	95.4	Very high	94.7	Very high	42 Å²	42	35.3 Å²	35.3	29%	0.294	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	160.2	176.7	60.3	0	0	0	0	112.5	F467 T470 S500	F467-S498 CarbonylContact O-C 3.13Å; T470-S498 WeakPolarHBondContact O-CB 3.37Å; S498-S500 PolarHBondContact O-N 3.07Å; S498-S500 VanDerWaalsContact O-N 3.14Å; S498-S500 PolarHBondContact O-OG 3.1Å
499	S	95.7	Very high	94.1	Very high	29 Å²	29	38.3 Å²	38.3	20%	0.203	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	41	178.4	-54.9	0	0	0	0	113.2	F467 R468 E469 R554 T555	F467-S499 PolarHBondContact O-N 2.89Å; F467-S499 VanDerWaalsContact O-N 3.07Å; R468-S499 WeakPolarHBondContact O-CA 3.33Å; E469-S499 PolarHBondContact O-N 3.18Å; S499-R554 WeakPolarHBondContact O-CA 3.4Å; S499-T555 PolarHBondContact O-N 3.14Å; S499-T555 VanDerWaalsContact O-N 3.1Å
500	S	96.1	Very high	92.8	Very high	5 Å²	5	42 Å²	42	4%	0.035	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.5	-169.7	-65.2	0	0	0	0	111.6	F467 W497 S498 R553 R554	F467-S500 CarbonylContact C-O 3.58Å; F467-S500 PolarHBondContact O-N 2.77Å; W497-S500 VanDerWaalsContact O-CB 3.24Å; W497-S500 WeakPolarHBondContact O-CB 3.43Å; W497-S500 PolarHBondContact O-OG 2.82Å; S498-S500 PolarHBondContact O-N 3.07Å; S498-S500 VanDerWaalsContact O-N 3.14Å; S498-S500 PolarHBondContact O-OG 3.1Å; S500-R553 WeakPolarHBondContact CA-O 3.43Å; S500-R554 PolarHBondContact OG-NE 3.42Å
501	D	95.4	Very high	90.8	Very high	38 Å²	38	45.4 Å²	45.4	20%	0.203	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.4	174	-82.7	-42.3	0	0	0	109.9	R468 V503 I552 R553	R468-D501 WeakPolarHBondContact CD-OD1 3.44Å; R468-D501 VanDerWaalsContact CG-OD1 3.3Å; R468-D501 WeakPolarHBondContact CG-OD1 3.46Å; R468-D501 IonicContact CZ-OD1 2.78Å; R468-D501 IonicContact NE-OD1 3.4Å; R468-D501 PolarHBondContact NE-OD1 3.14Å; R468-D501 IonicContact NH2-OD1 2.98Å; D501-V503 PolarHBondContact O-N 3.07Å; D501-I552 CarbonylContact O-C 3.6Å; D501-I552 WeakPolarHBondContact O-CA 3.33Å; D501-R553 HydrophobicContact CB-CB 4.45Å; D501-R553 PolarHBondContact N-O 3.13Å; D501-R553 PolarHBondContact O-N 2.83Å; D501-R553 IonicContact OD2-CZ 3.59Å; D501-R553 IonicContact OD2-NE 3.54Å; D501-R553 IonicContact OD2-NH2 3.7Å; D501-R553 PolarHBondContact OD2-NH2 3.27Å
502	V	96.6	Very high	88.5	Confident	22 Å²	22	48.4 Å²	48.4	13%	0.133	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	121.6	169.2	-173.2	0	0	0	0	108.7	L380 I426 L505 L550	L380-V502 HydrophobicContact CD1-CB 4.34Å; L380-V502 HydrophobicContact CD1-CG1 4.44Å; L380-V502 HydrophobicContact CD2-CB 4.48Å; L380-V502 HydrophobicContact CD2-CG1 3.93Å; I426-V502 HydrophobicContact CD1-CG2 3.8Å; I426-V502 HydrophobicContact CG1-CG2 4.14Å; I426-V502 HydrophobicContact CG2-CG2 3.92Å; V502-L505 HydrophobicContact CG1-CD2 3.7Å; V502-L505 HydrophobicContact CG1-CG 4.33Å; V502-L550 HydrophobicContact CG2-CD2 4.41Å
503	V	95.8	Very high	86	Confident	43 Å²	43	49.5 Å²	49.5	26%	0.261	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-42.4	-178.1	-175	0	0	0	0	111.3	D501 R551 R553	D501-V503 PolarHBondContact O-N 3.07Å; V503-R551 WeakPolarHBondContact CB-O 3.4Å; V503-R551 PolarHBondContact N-O 2.97Å; V503-R553 HydrophobicContact CG2-CB 3.63Å
504	S	96.4	Very high	83.3	Confident	23 Å²	23	53.6 Å²	53.6	16%	0.161	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	153.5	-178.8	55.5	0	0	0	0	111	R551	S504-R551 PolarHBondContact N-O 3.35Å; S504-R551 PolarHBondContact O-N 2.86Å; S504-R551 WeakPolarHBondContact OG-CB 3.27Å; S504-R551 PolarHBondContact OG-NE 2.85Å
505	L	97	Very high	80.1	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	149.1	173.9	-60.2	-168.3	0	0	0	110.5	L380 S384 L390 V396 V502 V548 R549 L550 V570 F572	L380-L505 WeakPolarHBondContact O-CD1 3.33Å; S384-L505 WeakPolarHBondContact CB-O 3.39Å; S384-L505 PolarHBondContact N-O 3.41Å; S384-L505 PolarHBondContact OG-O 3.28Å; L390-L505 HydrophobicContact CD1-CB 3.35Å; L390-L505 HydrophobicContact CD1-CD1 3.9Å; L390-L505 HydrophobicContact CD1-CG 4.24Å; V396-L505 HydrophobicContact CG2-CD1 3.6Å; V502-L505 HydrophobicContact CG1-CD2 3.7Å; V502-L505 HydrophobicContact CG1-CG 4.33Å; L505-V548 HydrophobicContact CB-CG1 4.13Å; L505-V548 HydrophobicContact CD1-CG1 4.38Å; L505-V548 HydrophobicContact CD2-CG1 4.24Å; L505-R549 WeakPolarHBondContact CA-O 3.48Å; L505-L550 HydrophobicContact CD2-CB 3.92Å; L505-L550 HydrophobicContact CD2-CD2 4.06Å; L505-L550 HydrophobicContact CD2-CG 3.51Å; L505-V570 HydrophobicContact CD1-CG2 4.5Å; L505-F572 HydrophobicContact CD1-CE2 4.12Å; L505-F572 HydrophobicContact CD1-CZ 4.13Å
506	S	95.4	Very high	76.8	Confident	22 Å²	22	60.3 Å²	60.3	15%	0.154	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	146.3	172.8	62.1	0	0	0	0	111.9	R549	S506-R549 PolarHBondContact N-O 2.99Å; S506-R549 PolarHBondContact O-N 3.15Å
507	L	93.9	Very high	73.6	Confident	24 Å²	24	63.8 Å²	63.8	13%	0.126	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	137	172.7	-68.1	171.8	0	0	0	110.6	C383 R385 L390 T393 V548	C383-L507 PolarHBondContact SG-N 3.08Å; C383-L507 VanDerWaalsContact SG-N 3.37Å; R385-L507 PolarHBondContact NH2-O 3.33Å; L390-L507 HydrophobicContact CD2-CD1 4.12Å; L390-L507 HydrophobicContact CD2-CD2 3.67Å; L390-L507 HydrophobicContact CD2-CG 3.56Å; T393-L507 HydrophobicContact CG2-CD1 4.34Å; L507-V548 HydrophobicContact CD2-CG2 4.26Å
508	I	90.8	Very high	70.4	Confident	41 Å²	41	71.3 Å²	71.3	21%	0.21	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	126.4	172.3	-54.9	178.6	0	0	0	107.8	N510 R547 R549 D566	I508-N510 PolarHBondContact O-N 2.84Å; I508-R547 HydrophobicContact CB-CB 4.36Å; I508-R547 HydrophobicContact CD1-CB 3.74Å; I508-R547 HydrophobicContact CG1-CB 4.33Å; I508-R547 WeakPolarHBondContact CG1-O 3.32Å; I508-R547 PolarHBondContact N-O 3.19Å; I508-R549 HydrophobicContact CD1-CB 4.07Å; I508-R549 HydrophobicContact CG1-CB 3.92Å; I508-D566 HydrophobicContact CD1-CB 3.65Å; I508-D566 VanDerWaalsContact CD1-OD1 3.29Å; I508-D566 WeakPolarHBondContact CD1-OD1 3.5Å; I508-D566 WeakPolarHBondContact CD1-OD2 3.47Å
509	P	79	Confident	67.3	Low	76 Å²	76	73.9 Å²	73.9	49%	0.494	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-61.1	131.6	174.1	-11.1	22.7	0	0	0	110.2	T511	P509-T511 PolarHBondContact O-N 2.54Å
510	N	67.3	Low	64	Low	77 Å²	77	78.6 Å²	78.6	41%	0.412	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-63.7	117	168.5	-74.3	-13.8	0	0	0	108.5	I508 N512 T545	I508-N510 PolarHBondContact O-N 2.84Å; N510-N512 PolarHBondContact O-N 3.29Å; N510-T545 PolarHBondContact ND2-OG1 3.12Å; N510-T545 PolarHBondContact OD1-O 2.92Å
511	T	51.7	Low	60.5	Low	133 Å²	133	83.9 Å²	83.9	82%	0.816	50%	0.499	S	S	*	.			trans	-78.3	5.4	178.8	48.2	0	0	0	0	113.7	P509 V513	P509-T511 PolarHBondContact O-N 2.54Å; T511-V513 PolarHBondContact O-N 2.66Å
512	N	43.5	Very low	56.9	Low	146 Å²	146	88.2 Å²	88.2	78%	0.781	53%	0.528	S	S	*	.			trans	-84.8	70.4	173.3	-67.1	-4.1	0	0	0	109.6	N510	N510-N512 PolarHBondContact O-N 3.29Å
513	V	38.7	Very low	53.4	Low	115 Å²	115	92.6 Å²	92.6	70%	0.697	56%	0.555	S	S	*	*			trans	-94.5	102.9	155	-179.5	0	0	0	0	104.9	T511 T515	T511-V513 PolarHBondContact O-N 2.66Å; V513-T515 VanDerWaalsContact C-N 3.31Å; V513-T515 PolarHBondContact O-N 3.22Å
514	D	33.8	Very low	49.8	Very low	144 Å²	144	96.4 Å²	96.4	77%	0.77	58%	0.578	S	S	*	*			trans	-52.2	103.7	162.1	-73.3	-38.4	0	0	0	106.9	S516	D514-S516 PolarHBondContact O-N 3.13Å
515	T	29.5	Very low	46.3	Very low	142 Å²	142	100.6 Å²	100.6	87%	0.871	60%	0.603	S	S	*	*			trans	-71.3	79.7	172.2	45	0	0	0	0	108	V513	V513-T515 VanDerWaalsContact C-N 3.31Å; V513-T515 PolarHBondContact O-N 3.22Å
516	S	27.3	Very low	42.7	Very low	87 Å²	87	107.5 Å²	107.5	61%	0.608	64%	0.638	S	S	*	*			trans	-126	97.4	162	52	0	0	0	0	109.5	D514	D514-S516 PolarHBondContact O-N 3.13Å
517	T	28.7	Very low	39.4	Very low	112 Å²	112	112.5 Å²	112.5	69%	0.687	67%	0.668	S	S	*	*			trans	56.6	99.2	137.7	57.3	0	0	0	0	118
518	H	30.4	Very low	36.1	Very low	175 Å²	175	117.8 Å²	117.8	81%	0.81	70%	0.696	S	S	*	*				171.2	131.6	91	-92.9	-65	0	0	0	110.6	T520	H518-T520 PolarHBondContact O-N 2.94Å
519	A	30.1	Very low	32.9	Very low	96 Å²	96	125.1 Å²	125.1	79%	0.793	73%	0.73	S	S	*	*			trans	-57.3	129.5	169.1	0	0	0	0	0	110.8
520	T	26.1	Very low	30.3	Very low	129 Å²	129	126.2 Å²	126.2	79%	0.791	74%	0.739	S	S	*	*			trans	-151	106.7	147.2	-38.4	0	0	0	0	111	H518	H518-T520 PolarHBondContact O-N 2.94Å
521	T	23.2	Very low	28.2	Very low	115 Å²	115	131.7 Å²	131.7	71%	0.706	76%	0.762	S	S	*	*			trans	17.3	114.1	145.8	-42.5	0	0	0	0	118.5	T523	T521-T523 PolarHBondContact O-N 2.87Å
522	T	20.9	Very low	26.9	Very low	130 Å²	130	132.8 Å²	132.8	80%	0.798	76%	0.755	S	S	*	*			trans	-41.3	101.9	156.5	-47.6	0	0	0	0	111
523	T	21.1	Very low	25.9	Very low	114 Å²	114	133.8 Å²	133.8	70%	0.699	76%	0.76	S	S	*	*			trans	-108.9	108.4	161.4	-52.5	0	0	0	0	107.2	T521 T525	T521-T523 PolarHBondContact O-N 2.87Å; T523-T525 VanDerWaalsContact C-N 3.32Å; T523-T525 PolarHBondContact O-N 3.01Å; T523-T525 PolarHBondContact O-OG1 2.94Å
524	T	21	Very low	25.1	Very low	123 Å²	123	136 Å²	136	76%	0.755	77%	0.767	S	S	*	*			trans	-67.7	87.3	175.5	-40	0	0	0	0	108.5
525	T	22.4	Very low	24.7	Very low	110 Å²	110	135.4 Å²	135.4	68%	0.675	77%	0.771	S	S	*	*			trans	-93.6	109.3	171.4	-24.2	0	0	0	0	108.3	T523 V527	T523-T525 VanDerWaalsContact C-N 3.32Å; T523-T525 PolarHBondContact O-N 3.01Å; T523-T525 PolarHBondContact O-OG1 2.94Å; T525-V527 PolarHBondContact O-N 3.06Å; T525-V527 VanDerWaalsContact O-N 3.14Å
526	I	23.1	Very low	24.5	Very low	146 Å²	146	134.2 Å²	134.2	75%	0.749	77%	0.768	S	S	*	*			trans	-60.2	108.3	170.1	-62	165.2	0	0	0	106.7
527	V	26	Very low	24.3	Very low	128 Å²	128	138.9 Å²	138.9	78%	0.776	78%	0.781	S	S	*	*			trans	-94.2	110.7	175	-178.8	0	0	0	0	107.6	T525	T525-V527 PolarHBondContact O-N 3.06Å; T525-V527 VanDerWaalsContact O-N 3.14Å
528	N	23.2	Very low	24.2	Very low	135 Å²	135	142 Å²	142	72%	0.722	79%	0.793	S	S	*	*			trans	-64.2	131.5	171.5	-72	-26.4	0	0	0	110	S530	N528-S530 PolarHBondContact O-N 2.96Å; N528-S530 VanDerWaalsContact O-N 3.09Å
529	E	23.9	Very low	24.1	Very low	195 Å²	195	136.9 Å²	136.9	91%	0.911	79%	0.788	S	S	*	*	S	Bend	trans	-62.7	99.3	172.1	-69.5	173.1	151.9	0	0	110.7
530	S	24	Very low	23.9	Very low	98 Å²	98	139.5 Å²	139.5	69%	0.685	79%	0.787	S	S	*	*			trans	176.1	92.1	152.2	46.6	0	0	0	0	109.5	N528	N528-S530 PolarHBondContact O-N 2.96Å; N528-S530 VanDerWaalsContact O-N 3.09Å
531	Q	24	Very low	24.1	Very low	193 Å²	193	138.3 Å²	138.3	90%	0.902	79%	0.79	S	S	*	*			trans	-172.4	106.3	141.9	-103.1	166.5	14.4	0	0	110	L533	Q531-L533 PolarHBondContact O-N 2.98Å
532	K	23.2	Very low	24.6	Very low	155 Å²	155	136.4 Å²	136.4	67%	0.674	78%	0.782	S	S	*	*			trans	-73.1	105.1	179.4	-161.1	176.6	-170.3	175.8	0	108.2	E209	E209-K532 IonicContact OE1-NZ 3.13Å; E209-K532 PolarHBondContact OE1-NZ 2.86Å; E209-K532 WeakPolarHBondContact OE2-CE 3.42Å; E209-K532 IonicContact OE2-NZ 2.64Å; E209-K532 PolarHBondContact OE2-NZ 3.03Å
533	L	24.2	Very low	25.3	Very low	167 Å²	167	135.5 Å²	135.5	87%	0.874	78%	0.776	S	S	*	*			trans	-86.1	122	172	-76.8	162.7	0	0	0	108.7	Q531	Q531-L533 PolarHBondContact O-N 2.98Å
534	L	20.8	Very low	26.7	Very low	163 Å²	163	134 Å²	134	85%	0.853	76%	0.764	S	S	*	*			trans	-63.7	144.4	176.8	-72.3	105.1	0	0	0	111.3	S536	L534-S536 PolarHBondContact O-N 3.18Å
535	P	26.1	Very low	28.5	Very low	131 Å²	131	133 Å²	133	85%	0.851	76%	0.758	S	S	*	*			trans	-78.2	115.2	-173.6	30.5	-31.7	0	0	0	111.2
536	S	24.5	Very low	31.1	Very low	116 Å²	116	128.2 Å²	128.2	81%	0.811	73%	0.73	S	S	*	*			trans	-80.7	120.9	171.8	56.9	0	0	0	0	111.3	L534	L534-S536 PolarHBondContact O-N 3.18Å
537	E	23.1	Very low	34.3	Very low	186 Å²	186	126.4 Å²	126.4	87%	0.869	71%	0.714	S	S	*	*			trans	11.5	115.7	154.7	-64.5	-179.8	160.1	0	0	119.4	G539	E537-G539 PolarHBondContact O-N 2.75Å
538	N	27.7	Very low	37.6	Very low	176 Å²	176	120.3 Å²	120.3	94%	0.941	68%	0.677	S	S	*	*	S	Bend	trans	6.4	100.9	143.7	-68.8	-19	0	0	0	117
539	G	27.1	Very low	41.1	Very low	69 Å²	69	117.9 Å²	117.9	71%	0.711	66%	0.657	S	S	*	*			trans	177.3	29.1	170.2	0	0	0	0	0	116.2	E537	E537-G539 PolarHBondContact O-N 2.75Å
540	I	26	Very low	44.6	Very low	151 Å²	151	108.6 Å²	108.6	77%	0.774	61%	0.614	S	S	*	*			trans	-139.1	71.7	175.9	-46.5	175.8	0	0	0	110.3	S542	I540-S542 PolarHBondContact O-N 3.12Å
541	A	31.1	Very low	48.1	Very low	103 Å²	103	108.3 Å²	108.3	85%	0.851	60%	0.598	S	S	*	*			trans	-71.8	73.3	144.3	0	0	0	0	0	106.7	T543	A541-T543 PolarHBondContact O-N 2.96Å
542	S	32.4	Very low	51.6	Low	76 Å²	76	99.1 Å²	99.1	53%	0.531	56%	0.555	S	S	.	*			trans	-53.1	128	173.9	62.6	0	0	0	0	106.9	I540 N544	I540-S542 PolarHBondContact O-N 3.12Å; S542-N544 PolarHBondContact O-N 2.85Å
543	T	36.3	Very low	55.1	Low	110 Å²	110	96.5 Å²	96.5	68%	0.675	54%	0.541	S	S	*	.			trans	-62.5	77.3	176.7	49.1	0	0	0	0	109.8	A541 T545	A541-T543 PolarHBondContact O-N 2.96Å; T543-T545 PolarHBondContact O-N 3.48Å
544	N	50.3	Low	58.5	Low	84 Å²	84	90 Å²	90	45%	0.449	51%	0.505	S	S	.	.			trans	-78.3	96.1	178.4	-141.2	-1.1	0	0	0	106.4	S542 G546	S542-N544 PolarHBondContact O-N 2.85Å; N544-G546 PolarHBondContact O-N 2.77Å
545	T	58.3	Low	61.8	Low	102 Å²	102	85.2 Å²	85.2	63%	0.626	48%	0.482	S	S	*	.			trans	-78.1	18	177.9	50	0	0	0	0	112.4	N510 T543	N510-T545 PolarHBondContact ND2-OG1 3.12Å; N510-T545 PolarHBondContact OD1-O 2.92Å; T543-T545 PolarHBondContact O-N 3.48Å
546	G	77.1	Confident	64.6	Low	9 Å²	9	82.3 Å²	82.3	9%	0.093	46%	0.459	C	S	.	.			trans	-66.2	152.3	-179.5	0	0	0	0	0	111.6	H395 N544	H395-G546 PolarHBondContact CD2-O 2.88Å; H395-G546 WeakPolarHBondContact NE2-CA 3.21Å; H395-G546 PolarHBondContact NE2-O 3.4Å; N544-G546 PolarHBondContact O-N 2.77Å
547	R	92.1	Very high	67.4	Low	108 Å²	108	82.5 Å²	82.5	41%	0.408	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	154.2	168.2	-80.1	-177.4	155.7	-170.8	-11.6	109.9	I508 V567 D568	I508-R547 HydrophobicContact CB-CB 4.36Å; I508-R547 HydrophobicContact CD1-CB 3.74Å; I508-R547 HydrophobicContact CG1-CB 4.33Å; I508-R547 WeakPolarHBondContact CG1-O 3.32Å; I508-R547 PolarHBondContact N-O 3.19Å; R547-V567 CarbonylContact C-O 3.23Å; R547-V567 WeakPolarHBondContact CA-O 3.08Å; R547-V567 WeakPolarHBondContact CB-O 3.49Å; R547-D568 WeakPolarHBondContact CG-OD1 3.12Å; R547-D568 IonicContact CZ-OD1 3.96Å; R547-D568 IonicContact CZ-OD2 2.71Å; R547-D568 IonicContact NE-OD1 3.31Å; R547-D568 PolarHBondContact NE-OD1 2.86Å; R547-D568 IonicContact NE-OD2 3.44Å; R547-D568 IonicContact NH2-OD1 3.91Å; R547-D568 PolarHBondContact NH2-OD1 2.79Å; R547-D568 IonicContact NH2-OD2 3.31Å; R547-D568 PolarHBondContact NH2-OD2 3.43Å
548	V	94.9	Very high	70.2	Confident	0 Å²	0	77 Å²	77	0%	0	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127.7	173	-176.9	0	0	0	0	108.9	H395 L505 L507 V567 V570	H395-V548 HydrophobicContact CB-CG2 3.22Å; L505-V548 HydrophobicContact CB-CG1 4.13Å; L505-V548 HydrophobicContact CD1-CG1 4.38Å; L505-V548 HydrophobicContact CD2-CG1 4.24Å; L507-V548 HydrophobicContact CD2-CG2 4.26Å; V548-V567 PolarHBondContact N-O 3.09Å; V548-V567 PolarHBondContact O-N 3.25Å; V548-V570 HydrophobicContact CB-CG2 4.46Å; V548-V570 HydrophobicContact CG1-CG2 4.25Å
549	R	97	Very high	73.1	Confident	83 Å²	83	73.1 Å²	73.1	31%	0.313	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	119.4	167.1	179	164.7	-66.5	-177.2	5.3	109.7	L505 S506 I508 E564 I565 D566	L505-R549 WeakPolarHBondContact CA-O 3.48Å; S506-R549 PolarHBondContact N-O 2.99Å; S506-R549 PolarHBondContact O-N 3.15Å; I508-R549 HydrophobicContact CD1-CB 4.07Å; I508-R549 HydrophobicContact CG1-CB 3.92Å; R549-E564 WeakPolarHBondContact CD-OE2 3.3Å; R549-E564 HydrophobicContact CG-CB 4.3Å; R549-E564 IonicContact CZ-OE2 3.58Å; R549-E564 IonicContact NE-OE2 3.05Å; R549-E564 IonicContact NH1-OE2 2.59Å; R549-E564 PolarHBondContact NH1-OE2 2.76Å; R549-I565 CarbonylContact C-O 3.54Å; R549-I565 WeakPolarHBondContact CA-O 3.25Å; R549-D566 VanDerWaalsContact CB-OD1 3.32Å; R549-D566 WeakPolarHBondContact CB-OD1 3.36Å; R549-D566 WeakPolarHBondContact CG-OD1 3.43Å; R549-D566 IonicContact CZ-OD1 3.53Å; R549-D566 IonicContact CZ-OD2 3.56Å; R549-D566 IonicContact NE-OD1 3.35Å; R549-D566 PolarHBondContact NE-OD1 3.37Å; R549-D566 IonicContact NE-OD2 3.03Å; R549-D566 IonicContact NH2-OD1 3.47Å; R549-D566 PolarHBondContact NH2-OD1 3.34Å; R549-D566 IonicContact NH2-OD2 2.72Å; R549-D566 PolarHBondContact NH2-OD2 3.47Å
550	L	97.6	Very high	76.1	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	131.6	170	-59	83.3	0	0	0	108.9	A424 I426 V502 L505 I552 E564 I565 V567 V570	A424-L550 HydrophobicContact CB-CD2 4.05Å; I426-L550 HydrophobicContact CD1-CD2 4.08Å; V502-L550 HydrophobicContact CG2-CD2 4.41Å; L505-L550 HydrophobicContact CD2-CB 3.92Å; L505-L550 HydrophobicContact CD2-CD2 4.06Å; L505-L550 HydrophobicContact CD2-CG 3.51Å; L550-I552 HydrophobicContact CB-CD1 4Å; L550-I552 HydrophobicContact CB-CG1 3.88Å; L550-I552 HydrophobicContact CD2-CD1 4.18Å; L550-E564 WeakPolarHBondContact O-CA 3.43Å; L550-I565 HydrophobicContact CB-CG2 3.85Å; L550-I565 HydrophobicContact CD1-CG2 4.27Å; L550-I565 PolarHBondContact N-O 3.37Å; L550-I565 PolarHBondContact O-N 2.85Å; L550-V567 HydrophobicContact CD1-CB 4.16Å; L550-V567 HydrophobicContact CD1-CG1 3.82Å; L550-V567 HydrophobicContact CD1-CG2 3.32Å; L550-V570 HydrophobicContact CD1-CG2 3.86Å; L550-V570 HydrophobicContact CD2-CG1 4.36Å; L550-V570 HydrophobicContact CD2-CG2 3.97Å; L550-V570 HydrophobicContact CG-CG2 4.06Å
551	R	97.5	Very high	79.3	Confident	92 Å²	92	76.1 Å²	76.1	35%	0.347	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	114.8	165.3	-162.3	175	80.9	107.1	0.2	108.6	V503 S504 V562 E564	V503-R551 WeakPolarHBondContact CB-O 3.4Å; V503-R551 PolarHBondContact N-O 2.97Å; S504-R551 PolarHBondContact N-O 3.35Å; S504-R551 PolarHBondContact O-N 2.86Å; S504-R551 WeakPolarHBondContact OG-CB 3.27Å; S504-R551 PolarHBondContact OG-NE 2.85Å; R551-V562 HydrophobicContact CG-CG1 3.37Å; R551-E564 HydrophobicContact CB-CG 4.44Å; R551-E564 HydrophobicContact CG-CG 4.04Å
552	I	97.1	Very high	82.4	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.8	-170.2	-57.9	177.2	0	0	0	109.2	M464 W497 D501 L550 R554 V562 E563 I565	M464-I552 HydrophobicContact CE-CD1 3.24Å; W497-I552 HydrophobicContact CE3-CD1 3.98Å; W497-I552 HydrophobicContact CE3-CG2 4.27Å; W497-I552 HydrophobicContact CZ3-CB 4.38Å; W497-I552 HydrophobicContact CZ3-CD1 4.06Å; W497-I552 HydrophobicContact CZ3-CG2 4.5Å; D501-I552 CarbonylContact O-C 3.6Å; D501-I552 WeakPolarHBondContact O-CA 3.33Å; L550-I552 HydrophobicContact CB-CD1 4Å; L550-I552 HydrophobicContact CB-CG1 3.88Å; L550-I552 HydrophobicContact CD2-CD1 4.18Å; I552-R554 HydrophobicContact CG2-CG 3.88Å; I552-V562 WeakPolarHBondContact O-CA 3.41Å; I552-E563 PolarHBondContact N-O 3.21Å; I552-E563 PolarHBondContact O-N 3.15Å; I552-I565 HydrophobicContact CD1-CG2 3.73Å; I552-I565 HydrophobicContact CG1-CG2 4.46Å
553	R	96.8	Very high	85.4	Confident	100 Å²	100	73.7 Å²	73.7	38%	0.377	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	126.9	170.1	176.2	-179	56.1	-157.7	-5.8	108.7	S500 D501 V503 R561 V562	S500-R553 WeakPolarHBondContact CA-O 3.43Å; D501-R553 HydrophobicContact CB-CB 4.45Å; D501-R553 PolarHBondContact N-O 3.13Å; D501-R553 PolarHBondContact O-N 2.83Å; D501-R553 IonicContact OD2-CZ 3.59Å; D501-R553 IonicContact OD2-NE 3.54Å; D501-R553 IonicContact OD2-NH2 3.7Å; D501-R553 PolarHBondContact OD2-NH2 3.27Å; V503-R553 HydrophobicContact CG2-CB 3.63Å; R553-R561 CarbonylContact C-O 3.51Å; R553-R561 WeakPolarHBondContact CA-O 3.29Å; R553-V562 HydrophobicContact CB-CG2 4.29Å
554	R	93.9	Very high	88.2	Confident	32 Å²	32	74 Å²	74	12%	0.121	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	144.8	-178.9	-53.7	-176.4	74.3	-175.8	-0.2	110.8	W497 S499 S500 I552 I556 E560 R561 E563	W497-R554 HydrophobicContact CE3-CG 4.37Å; S499-R554 WeakPolarHBondContact O-CA 3.4Å; S500-R554 PolarHBondContact OG-NE 3.42Å; I552-R554 HydrophobicContact CG2-CG 3.88Å; R554-I556 HydrophobicContact CB-CD1 4.3Å; R554-I556 HydrophobicContact CB-CG1 4.17Å; R554-E560 CarbonylContact O-C 3.53Å; R554-E560 WeakPolarHBondContact O-CA 3.43Å; R554-R561 PolarHBondContact N-O 3.48Å; R554-R561 PolarHBondContact O-N 3.26Å; R554-E563 VanDerWaalsContact CD-OE2 3.23Å; R554-E563 WeakPolarHBondContact CD-OE2 3.43Å; R554-E563 IonicContact CZ-OE2 3.3Å; R554-E563 IonicContact NH1-OE2 2.86Å; R554-E563 PolarHBondContact NH1-OE2 3.02Å
555	T	91.1	Very high	90.4	Very high	61 Å²	61	70.6 Å²	70.6	37%	0.374	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	102.2	170.4	-52.5	0	0	0	0	109.1	S499	S499-T555 PolarHBondContact O-N 3.14Å; S499-T555 VanDerWaalsContact O-N 3.1Å
556	I	84.8	Confident	92.2	Very high	70 Å²	70	68.2 Å²	68.2	36%	0.359	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.2	-178.1	-56	173.5	0	0	0	108.2	R554 G558 I559	R554-I556 HydrophobicContact CB-CD1 4.3Å; R554-I556 HydrophobicContact CB-CG1 4.17Å; I556-G558 PolarHBondContact O-N 3.36Å; I556-I559 PolarHBondContact N-O 3.34Å; I556-I559 PolarHBondContact O-N 3.35Å
557	S	83.2	Confident	93.1	Very high	120 Å²	120	67.8 Å²	67.8	84%	0.839	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	36.3	-177.1	-54.6	0	0	0	0	113.6	I559	S557-I559 PolarHBondContact O-N 2.8Å
558	G	82.4	Confident	93.3	Very high	71 Å²	71	64.1 Å²	64.1	73%	0.732	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	-1.1	-178.5	0	0	0	0	0	115.4	I556	I556-G558 PolarHBondContact O-N 3.36Å
559	I	87.8	Confident	93.3	Very high	95 Å²	95	64.2 Å²	64.2	49%	0.487	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	123.7	176.6	-57.9	173.6	0	0	0	108.6	I556 S557 R561	I556-I559 PolarHBondContact N-O 3.34Å; I556-I559 PolarHBondContact O-N 3.35Å; S557-I559 PolarHBondContact O-N 2.8Å; I559-R561 HydrophobicContact CG2-CG 4.18Å
560	E	91	Very high	93.4	Very high	135 Å²	135	60.2 Å²	60.2	63%	0.631	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	130.3	171.1	-69.1	-170	171.6	0	0	110.6	R554	R554-E560 CarbonylContact O-C 3.53Å; R554-E560 WeakPolarHBondContact O-CA 3.43Å
561	R	93.7	Very high	93.4	Very high	148 Å²	148	60.2 Å²	60.2	56%	0.558	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.5	154.7	172.9	-65.7	-174.9	178.3	172.2	-0.5	109.8	R553 R554 I559	R553-R561 CarbonylContact C-O 3.51Å; R553-R561 WeakPolarHBondContact CA-O 3.29Å; R554-R561 PolarHBondContact N-O 3.48Å; R554-R561 PolarHBondContact O-N 3.26Å; I559-R561 HydrophobicContact CG2-CG 4.18Å
562	V	94.8	Very high	93.4	Very high	73 Å²	73	56.1 Å²	56.1	44%	0.442	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	125.5	171.2	-178.7	0	0	0	0	108.1	R551 I552 R553	R551-V562 HydrophobicContact CG-CG1 3.37Å; I552-V562 WeakPolarHBondContact O-CA 3.41Å; R553-V562 HydrophobicContact CB-CG2 4.29Å
563	E	95.8	Very high	93.4	Very high	55 Å²	55	56.4 Å²	56.4	26%	0.257	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	147.4	-179.9	-69.1	171.3	-163.6	0	0	109	W497 I552 R554	W497-E563 HydrophobicContact CH2-CB 4.37Å; W497-E563 WeakPolarHBondContact CH2-OE2 3.45Å; W497-E563 HydrophobicContact CZ3-CB 4.24Å; W497-E563 WeakPolarHBondContact CZ3-OE2 3.41Å; I552-E563 PolarHBondContact N-O 3.21Å; I552-E563 PolarHBondContact O-N 3.15Å; R554-E563 VanDerWaalsContact CD-OE2 3.23Å; R554-E563 WeakPolarHBondContact CD-OE2 3.43Å; R554-E563 IonicContact CZ-OE2 3.3Å; R554-E563 IonicContact NH1-OE2 2.86Å; R554-E563 PolarHBondContact NH1-OE2 3.02Å
564	E	96.1	Very high	93.3	Very high	116 Å²	116	53.6 Å²	53.6	54%	0.542	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	137.3	172.3	-71.2	-176	179.1	0	0	109.2	R549 L550 R551	R549-E564 WeakPolarHBondContact CD-OE2 3.3Å; R549-E564 HydrophobicContact CG-CB 4.3Å; R549-E564 IonicContact CZ-OE2 3.58Å; R549-E564 IonicContact NE-OE2 3.05Å; R549-E564 IonicContact NH1-OE2 2.59Å; R549-E564 PolarHBondContact NH1-OE2 2.76Å; L550-E564 WeakPolarHBondContact O-CA 3.43Å; R551-E564 HydrophobicContact CB-CG 4.44Å; R551-E564 HydrophobicContact CG-CG 4.04Å
565	I	96.4	Very high	93.3	Very high	13 Å²	13	53.8 Å²	53.8	7%	0.067	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	137.6	-179.2	-171.3	163.6	0	0	0	110.7	M464 W497 R549 L550 I552	M464-I565 HydrophobicContact CE-CD1 4.3Å; M464-I565 HydrophobicContact CE-CG2 4.18Å; M464-I565 HydrophobicContact SD-CD1 3.48Å; M464-I565 WeakPolarHBondContact SD-CD1 3.43Å; M464-I565 HydrophobicContact SD-CG1 4.37Å; M464-I565 HydrophobicContact SD-CG2 4.14Å; W497-I565 HydrophobicContact CH2-CB 4.25Å; W497-I565 HydrophobicContact CH2-CD1 3.71Å; W497-I565 HydrophobicContact CH2-CG2 4.46Å; W497-I565 HydrophobicContact CZ2-CD1 3.34Å; R549-I565 CarbonylContact C-O 3.54Å; R549-I565 WeakPolarHBondContact CA-O 3.25Å; L550-I565 HydrophobicContact CB-CG2 3.85Å; L550-I565 HydrophobicContact CD1-CG2 4.27Å; L550-I565 PolarHBondContact N-O 3.37Å; L550-I565 PolarHBondContact O-N 2.85Å; I552-I565 HydrophobicContact CD1-CG2 3.73Å; I552-I565 HydrophobicContact CG1-CG2 4.46Å
566	D	95.9	Very high	93.4	Very high	52 Å²	52	51.7 Å²	51.7	28%	0.278	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	129.7	-177.1	-61.4	-17	0	0	0	109.7	I508 R549	I508-D566 HydrophobicContact CD1-CB 3.65Å; I508-D566 VanDerWaalsContact CD1-OD1 3.29Å; I508-D566 WeakPolarHBondContact CD1-OD1 3.5Å; I508-D566 WeakPolarHBondContact CD1-OD2 3.47Å; R549-D566 VanDerWaalsContact CB-OD1 3.32Å; R549-D566 WeakPolarHBondContact CB-OD1 3.36Å; R549-D566 WeakPolarHBondContact CG-OD1 3.43Å; R549-D566 IonicContact CZ-OD1 3.53Å; R549-D566 IonicContact CZ-OD2 3.56Å; R549-D566 IonicContact NE-OD1 3.35Å; R549-D566 PolarHBondContact NE-OD1 3.37Å; R549-D566 IonicContact NE-OD2 3.03Å; R549-D566 IonicContact NH2-OD1 3.47Å; R549-D566 PolarHBondContact NH2-OD1 3.34Å; R549-D566 IonicContact NH2-OD2 2.72Å; R549-D566 PolarHBondContact NH2-OD2 3.47Å
567	V	95.9	Very high	93.9	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	164.1	178.2	-50.8	0	0	0	0	110.3	R422 A424 R547 V548 L550 H569 V570	R422-V567 HydrophobicContact CB-CB 4.27Å; R422-V567 HydrophobicContact CB-CG1 4.4Å; R422-V567 HydrophobicContact CG-CB 4.3Å; R422-V567 HydrophobicContact CG-CG1 3.92Å; R422-V567 WeakPolarHBondContact O-CB 3.34Å; A424-V567 HydrophobicContact CB-CG1 4.21Å; A424-V567 HydrophobicContact CB-CG2 4.21Å; R547-V567 CarbonylContact C-O 3.23Å; R547-V567 WeakPolarHBondContact CA-O 3.08Å; R547-V567 WeakPolarHBondContact CB-O 3.49Å; V548-V567 PolarHBondContact N-O 3.09Å; V548-V567 PolarHBondContact O-N 3.25Å; L550-V567 HydrophobicContact CD1-CB 4.16Å; L550-V567 HydrophobicContact CD1-CG1 3.82Å; L550-V567 HydrophobicContact CD1-CG2 3.32Å; V567-H569 WeakPolarHBondContact CG2-O 3.4Å; V567-V570 HydrophobicContact CG2-CG2 3.81Å
568	D	95	Very high	94.4	Very high	31 Å²	31	48.4 Å²	48.4	17%	0.166	26%	0.261	C	S	.	.	S	Bend	trans	-84.8	-31.3	178	-58.6	-73.2	0	0	0	111.6	L415 G421 R422 R547	L415-D568 HydrophobicContact CD1-CB 4.06Å; L415-D568 HydrophobicContact CD2-CB 3.86Å; G421-D568 WeakPolarHBondContact CA-OD2 3.4Å; R422-D568 PolarHBondContact N-OD2 3.35Å; R422-D568 PolarHBondContact O-N 2.78Å; R547-D568 WeakPolarHBondContact CG-OD1 3.12Å; R547-D568 IonicContact CZ-OD1 3.96Å; R547-D568 IonicContact CZ-OD2 2.71Å; R547-D568 IonicContact NE-OD1 3.31Å; R547-D568 PolarHBondContact NE-OD1 2.86Å; R547-D568 IonicContact NE-OD2 3.44Å; R547-D568 IonicContact NH2-OD1 3.91Å; R547-D568 PolarHBondContact NH2-OD1 2.79Å; R547-D568 IonicContact NH2-OD2 3.31Å; R547-D568 PolarHBondContact NH2-OD2 3.43Å
569	H	96.5	Very high	95	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	151.2	178.4	-166.6	70.9	0	0	0	113	G394 H395 S397 L411 R422 I423 A424 V567	G394-H569 PolarHBondContact O-CE1 3.3Å; G394-H569 PolarHBondContact O-ND1 2.91Å; H395-H569 VanDerWaalsContact C-ND1 3.29Å; H395-H569 PolarHBondContact O-ND1 2.82Å; S397-H569 WeakPolarHBondContact CB-NE2 2.85Å; S397-H569 PolarHBondContact OG-NE2 2.91Å; L411-H569 HydrophobicContact CD1-CB 3.98Å; L411-H569 WeakPolarHBondContact CD1-ND1 3.26Å; L411-H569 HydrophobicContact CD2-CB 3.8Å; R422-H569 PolarHBondContact O-N 3.33Å; I423-H569 WeakPolarHBondContact CA-O 3.26Å; I423-H569 HydrophobicContact CG1-CB 4.33Å; I423-H569 HydrophobicContact CG2-CB 4.45Å; A424-H569 PolarHBondContact N-O 3.5Å; V567-H569 WeakPolarHBondContact CG2-O 3.4Å
570	V	97.9	Very high	95.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.4	172.5	-174	0	0	0	0	109.9	H395 V396 S397 A424 I426 L505 V548 L550 V567 F572	H395-V570 PolarHBondContact O-N 2.85Å; V396-V570 WeakPolarHBondContact CA-O 3.36Å; V396-V570 HydrophobicContact CG2-CB 4.29Å; S397-V570 PolarHBondContact N-O 3.35Å; A424-V570 HydrophobicContact CB-CG1 4.45Å; A424-V570 HydrophobicContact CB-CG2 4.32Å; A424-V570 CarbonylContact O-C 3.56Å; A424-V570 WeakPolarHBondContact O-CA 3.44Å; I426-V570 HydrophobicContact CD1-CG1 4.46Å; I426-V570 HydrophobicContact CG1-CG1 3.71Å; L505-V570 HydrophobicContact CD1-CG2 4.5Å; V548-V570 HydrophobicContact CB-CG2 4.46Å; V548-V570 HydrophobicContact CG1-CG2 4.25Å; L550-V570 HydrophobicContact CD1-CG2 3.86Å; L550-V570 HydrophobicContact CD2-CG1 4.36Å; L550-V570 HydrophobicContact CD2-CG2 3.97Å; L550-V570 HydrophobicContact CG-CG2 4.06Å; V567-V570 HydrophobicContact CG2-CG2 3.81Å; V570-F572 HydrophobicContact CG1-CD2 4.16Å; V570-F572 HydrophobicContact CG1-CE2 3.76Å; V570-F572 HydrophobicContact CG1-CZ 3.99Å
571	V	98	Very high	95.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	125	169.9	61.6	0	0	0	0	110.5	S397 F399 L408 I423 A424 V425 I426 L435	S397-V571 WeakPolarHBondContact O-CA 3.45Å; F399-V571 HydrophobicContact CB-CG2 4.25Å; L408-V571 HydrophobicContact CD2-CG2 4.36Å; I423-V571 HydrophobicContact CG2-CG1 4.31Å; A424-V571 PolarHBondContact O-N 3.42Å; V425-V571 HydrophobicContact CB-CG1 4.14Å; V425-V571 HydrophobicContact CG1-CG1 4.22Å; V425-V571 HydrophobicContact CG2-CG1 3.73Å; I426-V571 PolarHBondContact N-O 3.32Å; L435-V571 HydrophobicContact CD1-CG2 4.28Å
572	F	97.9	Very high	95.3	Very high	5 Å²	5	35 Å²	35	2%	0.022	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	118.2	178.1	-75.8	-79.6	0	0	0	111.5	L380 V396 S397 Y398 I426 L505 V570 I574	L380-F572 HydrophobicContact CB-CZ 4.03Å; L380-F572 HydrophobicContact CD1-CE1 3.86Å; L380-F572 HydrophobicContact CD1-CZ 3.99Å; V396-F572 HydrophobicContact CG1-CD2 3.7Å; V396-F572 HydrophobicContact CG1-CE2 3.62Å; S397-F572 PolarHBondContact O-N 3.3Å; Y398-F572 HydrophobicContact CD1-CB 3.66Å; Y398-F572 HydrophobicContact CE1-CB 3.43Å; Y398-F572 VanDerWaalsContact CE1-CB 3.43Å; Y398-F572 HydrophobicContact CE1-CD2 4.24Å; Y398-F572 HydrophobicContact CE1-CG 4.06Å; I426-F572 HydrophobicContact CB-CD1 3.71Å; I426-F572 HydrophobicContact CB-CE1 3.98Å; I426-F572 HydrophobicContact CG1-CD1 4.1Å; I426-F572 HydrophobicContact CG1-CE1 3.99Å; I426-F572 HydrophobicContact CG2-CD1 3.85Å; I426-F572 HydrophobicContact CG2-CE1 3.88Å; L505-F572 HydrophobicContact CD1-CE2 4.12Å; L505-F572 HydrophobicContact CD1-CZ 4.13Å; V570-F572 HydrophobicContact CG1-CD2 4.16Å; V570-F572 HydrophobicContact CG1-CE2 3.76Å; V570-F572 HydrophobicContact CG1-CZ 3.99Å; F572-I574 HydrophobicContact CB-CG1 4.36Å; F572-I574 HydrophobicContact CD1-CD1 4.36Å; F572-I574 HydrophobicContact CD1-CG2 4.33Å
573	A	97.2	Very high	95.2	Very high	7 Å²	7	32.6 Å²	32.6	6%	0.058	17%	0.173	C	C	.	.			trans	-119.5	51.8	177	0	0	0	0	0	110.8	I426 L431 L435	I426-A573 CarbonylContact O-C 3.56Å; I426-A573 WeakPolarHBondContact O-CA 3.33Å; I426-A573 PolarHBondContact O-N 3.48Å; L431-A573 HydrophobicContact CB-CB 4.26Å; L431-A573 HydrophobicContact CD2-CB 4.04Å; L431-A573 HydrophobicContact CG-CB 3.96Å; L435-A573 HydrophobicContact CD1-CB 4.37Å
574	I	95.1	Very high	94.8	Very high	41 Å²	41	34.1 Å²	34.1	21%	0.21	19%	0.19	C	C	.	.			trans	-100.8	20.4	-168.6	54.9	164.9	0	0	0	114.6	R375 Y377 I426 F572	R375-I574 HydrophobicContact CB-CD1 4.46Å; R375-I574 HydrophobicContact CB-CG1 4.35Å; R375-I574 HydrophobicContact CG-CD1 4.42Å; R375-I574 VanDerWaalsContact O-CD1 3.31Å; R375-I574 WeakPolarHBondContact O-CD1 3.21Å; R375-I574 WeakPolarHBondContact O-CG1 3.34Å; Y377-I574 HydrophobicContact CD2-CD1 3.52Å; Y377-I574 HydrophobicContact CE2-CD1 3.29Å; I426-I574 HydrophobicContact CG2-CG2 4.1Å; I426-I574 WeakPolarHBondContact O-CG2 3.38Å; F572-I574 HydrophobicContact CB-CG1 4.36Å; F572-I574 HydrophobicContact CD1-CD1 4.36Å; F572-I574 HydrophobicContact CD1-CG2 4.33Å
575	G	93.4	Very high	94.4	Very high	36 Å²	36	32.8 Å²	32.8	37%	0.371	19%	0.187	S	C	.	.			trans	101.6	175.2	178.5	0	0	0	0	0	114.1	R375	R375-G575 WeakPolarHBondContact CB-O 3.31Å; R375-G575 PolarHBondContact N-O 2.96Å
576	I	93.3	Very high	94.2	Very high	16 Å²	16	32.1 Å²	32.1	8%	0.082	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	150.7	179.2	-59.1	-60.3	0	0	0	109.8	S373 P374 E630	S373-I576 CarbonylContact O-C 3.59Å; S373-I576 WeakPolarHBondContact O-CA 3.43Å; S373-I576 WeakPolarHBondContact O-CG2 3.15Å; P374-I576 HydrophobicContact CG-CD1 4.48Å; I576-E630 HydrophobicContact CB-CG 4.4Å; I576-E630 WeakPolarHBondContact CB-OE2 3.34Å
577	E	93.6	Very high	94.1	Very high	112 Å²	112	33.9 Å²	33.9	52%	0.523	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	131.5	170.6	-171.9	164.3	-166.2	0	0	109.1	G372 S373	G372-E577 CarbonylContact C-O 3.55Å; G372-E577 WeakPolarHBondContact CA-O 3.35Å; S373-E577 PolarHBondContact N-O 3.39Å; S373-E577 PolarHBondContact O-N 2.86Å
578	P	95.5	Very high	94.1	Very high	9 Å²	9	34.5 Å²	34.5	6%	0.058	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	137.2	-179.8	28.2	-32	0	0	0	111.5	T580	P578-T580 HydrophobicContact CB-CG2 4.18Å; P578-T580 HydrophobicContact CG-CG2 4.32Å; P578-T580 PolarHBondContact O-N 3.19Å; P578-T580 VanDerWaalsContact O-N 3.1Å; P578-T580 PolarHBondContact O-OG1 3.28Å
579	N	94.1	Very high	94.2	Very high	10 Å²	10	39.7 Å²	39.7	5%	0.053	23%	0.226	C	C	.	.			trans	-77.9	98.3	-179.3	-61.6	-21.2	0	0	0	109.3	I264 T370 G371 S373 E581	I264-N579 WeakPolarHBondContact CG2-ND2 3.37Å; T370-N579 PolarHBondContact O-ND2 3.36Å; T370-N579 PolarHBondContact OG1-O 3.04Å; G371-N579 PolarHBondContact O-N 2.9Å; G371-N579 VanDerWaalsContact O-N 3.1Å; S373-N579 WeakPolarHBondContact CB-OD1 3.47Å; S373-N579 PolarHBondContact N-OD1 2.96Å; S373-N579 PolarHBondContact OG-ND2 3.48Å; S373-N579 PolarHBondContact OG-OD1 3.38Å; N579-E581 WeakPolarHBondContact CA-OE2 3.23Å; N579-E581 WeakPolarHBondContact CB-OE2 3.45Å
580	T	95.1	Very high	94.2	Very high	30 Å²	30	42.2 Å²	42.2	18%	0.184	24%	0.241	C	C	.	.			trans	-118.5	18.7	-170.5	51.6	0	0	0	0	113.1	P578 L582 S583 V590 F597	P578-T580 HydrophobicContact CB-CG2 4.18Å; P578-T580 HydrophobicContact CG-CG2 4.32Å; P578-T580 PolarHBondContact O-N 3.19Å; P578-T580 VanDerWaalsContact O-N 3.1Å; P578-T580 PolarHBondContact O-OG1 3.28Å; T580-L582 PolarHBondContact O-N 3.14Å; T580-L582 VanDerWaalsContact O-N 3.15Å; T580-S583 WeakPolarHBondContact O-CB 3.3Å; T580-S583 PolarHBondContact O-N 3.03Å; T580-S583 PolarHBondContact O-OG 3.18Å; T580-V590 HydrophobicContact CG2-CG1 4.47Å; T580-F597 HydrophobicContact CG2-CD2 4.11Å; T580-F597 HydrophobicContact CG2-CE1 4.48Å; T580-F597 HydrophobicContact CG2-CE2 4Å; T580-F597 HydrophobicContact CG2-CG 4.4Å; T580-F597 HydrophobicContact CG2-CZ 4.2Å
581	E	91.5	Very high	94.2	Very high	115 Å²	115	42.6 Å²	42.6	54%	0.537	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-33	-175.1	-62.9	75.5	-164.5	0	0	112.2	N579 S583	N579-E581 WeakPolarHBondContact CA-OE2 3.23Å; N579-E581 WeakPolarHBondContact CB-OE2 3.45Å; E581-S583 PolarHBondContact O-N 2.96Å; E581-S583 VanDerWaalsContact O-N 3.16Å
582	L	93.2	Very high	94	Very high	12 Å²	12	48.1 Å²	48.1	6%	0.063	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-4.4	177.7	-62.8	176.1	0	0	0	114.2	V230 V343 L368 T370 T580 A586 F597	V230-L582 HydrophobicContact CG1-CD1 4.17Å; V343-L582 HydrophobicContact CG1-CD1 4.18Å; V343-L582 HydrophobicContact CG1-CD2 4.05Å; L368-L582 HydrophobicContact CD2-CD1 3.91Å; T370-L582 HydrophobicContact CG2-CD1 4.41Å; T580-L582 PolarHBondContact O-N 3.14Å; T580-L582 VanDerWaalsContact O-N 3.15Å; L582-A586 WeakPolarHBondContact O-CB 3.05Å; L582-A586 PolarHBondContact O-N 2.91Å; L582-F597 HydrophobicContact CB-CZ 4.42Å
583	S	92.7	Very high	93.8	Very high	23 Å²	23	53.7 Å²	53.7	16%	0.161	31%	0.309	C	S	.	.	H	α-helix	trans	-69	-42.3	-174.3	58	0	0	0	0	114.2	T580 E581 D585 S587 L588 V590	T580-S583 WeakPolarHBondContact O-CB 3.3Å; T580-S583 PolarHBondContact O-N 3.03Å; T580-S583 PolarHBondContact O-OG 3.18Å; E581-S583 PolarHBondContact O-N 2.96Å; E581-S583 VanDerWaalsContact O-N 3.16Å; S583-D585 PolarHBondContact O-N 2.83Å; S583-S587 PolarHBondContact O-N 2.87Å; S583-L588 PolarHBondContact O-N 3.22Å; S583-L588 VanDerWaalsContact O-N 3.08Å; S583-V590 VanDerWaalsContact CB-CG2 3.42Å
584	S	87.5	Confident	93.6	Very high	87 Å²	87	55.1 Å²	55.1	61%	0.608	32%	0.316	S	S	*	.	H	α-helix	trans	-61.3	-47.8	-173.5	55.2	0	0	0	0	111.7
585	D	85.8	Confident	93.6	Very high	88 Å²	88	54.1 Å²	54.1	47%	0.471	32%	0.316	S	S	.	.	H	α-helix	trans	-81.5	-30.3	-172.6	-62.7	2.8	0	0	0	111.4	R345 S583 S587	R345-D585 WeakPolarHBondContact CD-OD2 3.4Å; R345-D585 HydrophobicContact CG-CB 3.65Å; R345-D585 WeakPolarHBondContact CG-OD2 3.12Å; S583-D585 PolarHBondContact O-N 2.83Å; D585-S587 VanDerWaalsContact C-N 3.29Å; D585-S587 PolarHBondContact O-N 3Å
586	A	93.1	Very high	93.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-84.7	-0.5	179.6	0	0	0	0	0	113.6	L346 P348 L582 L588 R606	L346-A586 HydrophobicContact CB-CB 3.99Å; L346-A586 HydrophobicContact CD2-CB 3.83Å; L346-A586 HydrophobicContact CG-CB 3.95Å; L346-A586 WeakPolarHBondContact O-CA 3.21Å; L346-A586 WeakPolarHBondContact O-CB 3.24Å; P348-A586 HydrophobicContact CG-CB 3.88Å; P348-A586 WeakPolarHBondContact CG-O 3.12Å; L582-A586 WeakPolarHBondContact O-CB 3.05Å; L582-A586 PolarHBondContact O-N 2.91Å; A586-L588 HydrophobicContact CB-CD1 3.73Å; A586-L588 HydrophobicContact CB-CG 3.73Å; A586-L588 PolarHBondContact O-N 2.84Å; A586-R606 PolarHBondContact O-NH1 2.9Å
587	S	93.3	Very high	94	Very high	89 Å²	89	51.6 Å²	51.6	62%	0.622	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	43	-172.3	-58.1	0	0	0	0	112.2	S583 D585	S583-S587 PolarHBondContact O-N 2.87Å; D585-S587 VanDerWaalsContact C-N 3.29Å; D585-S587 PolarHBondContact O-N 3Å
588	L	96.4	Very high	94.2	Very high	12 Å²	12	47.9 Å²	47.9	6%	0.063	28%	0.278	C	S	.	.			trans	-92.5	137.7	176.5	-65.8	168.8	0	0	0	109.7	L346 L368 S583 A586 F597 A605 R606 V609	L346-L588 HydrophobicContact CD2-CD1 4.19Å; L368-L588 HydrophobicContact CD1-CD1 3.41Å; L368-L588 VanDerWaalsContact CD1-CD1 3.41Å; S583-L588 PolarHBondContact O-N 3.22Å; S583-L588 VanDerWaalsContact O-N 3.08Å; A586-L588 HydrophobicContact CB-CD1 3.73Å; A586-L588 HydrophobicContact CB-CG 3.73Å; A586-L588 PolarHBondContact O-N 2.84Å; L588-F597 HydrophobicContact CB-CD1 3.89Å; L588-F597 HydrophobicContact CB-CE1 4.25Å; L588-F597 HydrophobicContact CD1-CD1 3.83Å; L588-F597 HydrophobicContact CD1-CE1 3.75Å; L588-F597 HydrophobicContact CG-CD1 4.49Å; L588-A605 HydrophobicContact CD2-CB 4.12Å; L588-R606 HydrophobicContact CD2-CB 4.05Å; L588-R606 HydrophobicContact CD2-CG 3.66Å; L588-V609 HydrophobicContact CD2-CG1 4.32Å
589	E	96.8	Very high	94.3	Very high	140 Å²	140	47.5 Å²	47.5	65%	0.654	28%	0.275	S	S	*	.			trans	-73.1	137.2	175.5	-62	-176.9	-174.7	0	0	110.7	F597 L598	E589-F597 WeakPolarHBondContact O-CA 3.3Å; E589-L598 HydrophobicContact CB-CB 3.98Å; E589-L598 HydrophobicContact CB-CD1 3.79Å; E589-L598 HydrophobicContact CB-CG 4.4Å; E589-L598 PolarHBondContact O-N 2.96Å
590	V	97.5	Very high	94.4	Very high	54 Å²	54	49.5 Å²	49.5	33%	0.327	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-113.7	133.1	173.8	178	0	0	0	0	108.6	T580 S583 P592 G596	T580-V590 HydrophobicContact CG2-CG1 4.47Å; S583-V590 VanDerWaalsContact CB-CG2 3.42Å; V590-P592 VanDerWaalsContact O-CD 3.3Å; V590-P592 WeakPolarHBondContact O-CD 3.2Å; V590-G596 CarbonylContact C-O 3.48Å; V590-G596 WeakPolarHBondContact CA-O 3.26Å; V590-G596 WeakPolarHBondContact CG1-O 3.08Å
591	D	96.7	Very high	94.4	Very high	8 Å²	8	48.7 Å²	48.7	4%	0.043	28%	0.282	C	S	.	.			trans	-68.9	116.6	-179	-173.9	-23.9	0	0	0	110.3	N593 N594 G595 G596 L598 S617	D591-N593 PolarHBondContact O-N 3.41Å; D591-N593 WeakPolarHBondContact OD1-CB 2.92Å; D591-N593 PolarHBondContact OD1-N 3.34Å; D591-N594 HydrophobicContact CB-CB 4.41Å; D591-N594 PolarHBondContact OD1-N 3.27Å; D591-N594 WeakPolarHBondContact OD2-CB 3.22Å; D591-N594 PolarHBondContact OD2-ND2 3.09Å; D591-G595 WeakPolarHBondContact O-CA 2.94Å; D591-G595 PolarHBondContact O-N 3.28Å; D591-G596 PolarHBondContact N-O 3.47Å; D591-L598 HydrophobicContact CB-CD1 4.46Å; D591-L598 HydrophobicContact CB-CD2 3.77Å; D591-L598 HydrophobicContact CB-CG 3.91Å; D591-S617 PolarHBondContact OD2-OG 2.59Å
592	P	94.9	Very high	94.6	Very high	116 Å²	116	45.9 Å²	45.9	75%	0.753	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-16.9	-177.8	29.4	-36.3	0	0	0	113.6	V590	V590-P592 VanDerWaalsContact O-CD 3.3Å; V590-P592 WeakPolarHBondContact O-CD 3.2Å
593	N	92.7	Very high	94.9	Very high	122 Å²	122	45.3 Å²	45.3	65%	0.652	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-45.5	-177	-54.5	-67.6	0	0	0	112	D591	D591-N593 PolarHBondContact O-N 3.41Å; D591-N593 WeakPolarHBondContact OD1-CB 2.92Å; D591-N593 PolarHBondContact OD1-N 3.34Å
594	N	92.4	Very high	95.1	Very high	37 Å²	37	46.6 Å²	46.6	20%	0.198	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-20.4	-176.5	-60.9	-51.3	0	0	0	112.3	D591 R628	D591-N594 HydrophobicContact CB-CB 4.41Å; D591-N594 PolarHBondContact OD1-N 3.27Å; D591-N594 WeakPolarHBondContact OD2-CB 3.22Å; D591-N594 PolarHBondContact OD2-ND2 3.09Å; N594-R628 HydrophobicContact CB-CB 4.15Å; N594-R628 PolarHBondContact O-NE 3.49Å; N594-R628 PolarHBondContact O-NH2 2.92Å
595	G	95.5	Very high	95.6	Very high	20 Å²	20	43.8 Å²	43.8	21%	0.206	25%	0.251	C	S	.	.			trans	73.2	172.6	-162.2	0	0	0	0	0	111.7	D591 S617 R628	D591-G595 WeakPolarHBondContact O-CA 2.94Å; D591-G595 PolarHBondContact O-N 3.28Å; G595-S617 WeakPolarHBondContact O-CB 3.46Å; G595-R628 WeakPolarHBondContact O-CD 3.29Å
596	G	97.1	Very high	96	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	86.3	162.9	177.5	0	0	0	0	0	112.6	V590 D591 A615	V590-G596 CarbonylContact C-O 3.48Å; V590-G596 WeakPolarHBondContact CA-O 3.26Å; V590-G596 WeakPolarHBondContact CG1-O 3.08Å; D591-G596 PolarHBondContact N-O 3.47Å; G596-A615 CarbonylContact C-O 3.53Å; G596-A615 WeakPolarHBondContact CA-O 3.39Å
597	F	98.2	Very high	96.1	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	132.9	177.7	-57.1	-80.9	0	0	0	110.3	L368 T580 L582 L588 E589 A599 V611 A615 S617	L368-F597 HydrophobicContact CB-CE2 4.35Å; L368-F597 HydrophobicContact CD1-CD1 4.35Å; L368-F597 HydrophobicContact CD1-CD2 4.3Å; L368-F597 HydrophobicContact CD1-CE1 4.02Å; L368-F597 HydrophobicContact CD1-CE2 3.99Å; L368-F597 HydrophobicContact CD1-CG 4.47Å; L368-F597 HydrophobicContact CD1-CZ 3.83Å; T580-F597 HydrophobicContact CG2-CD2 4.11Å; T580-F597 HydrophobicContact CG2-CE1 4.48Å; T580-F597 HydrophobicContact CG2-CE2 4Å; T580-F597 HydrophobicContact CG2-CG 4.4Å; T580-F597 HydrophobicContact CG2-CZ 4.2Å; L582-F597 HydrophobicContact CB-CZ 4.42Å; L588-F597 HydrophobicContact CB-CD1 3.89Å; L588-F597 HydrophobicContact CB-CE1 4.25Å; L588-F597 HydrophobicContact CD1-CD1 3.83Å; L588-F597 HydrophobicContact CD1-CE1 3.75Å; L588-F597 HydrophobicContact CG-CD1 4.49Å; E589-F597 WeakPolarHBondContact O-CA 3.3Å; F597-A599 PolarHBondContact O-N 2.81Å; F597-V611 HydrophobicContact CB-CB 4.38Å; F597-V611 HydrophobicContact CB-CG1 3.95Å; F597-V611 HydrophobicContact CB-CG2 3.76Å; F597-V611 HydrophobicContact CD2-CG1 3.75Å; F597-V611 HydrophobicContact CD2-CG2 4.39Å; F597-V611 HydrophobicContact CG-CG1 4.26Å; F597-V611 HydrophobicContact CG-CG2 4.24Å; F597-A615 HydrophobicContact CD2-CB 4.11Å; F597-A615 HydrophobicContact CE2-CB 4.27Å; F597-A615 PolarHBondContact N-O 2.98Å; F597-S617 WeakPolarHBondContact O-CA 3.42Å; F597-S617 PolarHBondContact O-N 2.87Å
598	L	97.6	Very high	96.1	Very high	33 Å²	33	46.9 Å²	46.9	17%	0.173	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	120	174	-80.5	166.3	0	0	0	109.7	E589 D591 A605	E589-L598 HydrophobicContact CB-CB 3.98Å; E589-L598 HydrophobicContact CB-CD1 3.79Å; E589-L598 HydrophobicContact CB-CG 4.4Å; E589-L598 PolarHBondContact O-N 2.96Å; D591-L598 HydrophobicContact CB-CD1 4.46Å; D591-L598 HydrophobicContact CB-CD2 3.77Å; D591-L598 HydrophobicContact CB-CG 3.91Å; L598-A605 WeakPolarHBondContact O-CA 3.49Å; L598-A605 VanDerWaalsContact O-CB 3.24Å; L598-A605 WeakPolarHBondContact O-CB 3.18Å
599	A	97.5	Very high	96.2	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.008	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.7	177.8	0	0	0	0	0	110.9	F597 E604 A605 V611 S617 Y618 W619 R626	F597-A599 PolarHBondContact O-N 2.81Å; A599-E604 CarbonylContact C-O 3.54Å; A599-E604 WeakPolarHBondContact CA-O 3.27Å; A599-A605 HydrophobicContact CB-CB 4.44Å; A599-V611 HydrophobicContact CB-CB 4.38Å; A599-S617 PolarHBondContact N-O 2.9Å; A599-Y618 WeakPolarHBondContact O-CA 3.48Å; A599-W619 PolarHBondContact O-N 3.1Å; A599-R626 PolarHBondContact O-NH1 2.97Å
600	N	96.4	Very high	96.3	Very high	53 Å²	53	39.7 Å²	39.7	28%	0.283	22%	0.217	S	C	.	.			trans	-66.1	-171.8	175.6	65.6	11.5	0	0	0	111.9	E602 L603 E604	N600-E602 PolarHBondContact ND2-OE2 3.47Å; N600-E602 PolarHBondContact O-N 2.83Å; N600-E602 WeakPolarHBondContact OD1-CA 3.4Å; N600-E602 WeakPolarHBondContact OD1-CB 3.49Å; N600-E602 PolarHBondContact OD1-N 3.12Å; N600-E602 PolarHBondContact OD1-OE2 2.89Å; N600-L603 PolarHBondContact O-N 3.06Å; N600-L603 VanDerWaalsContact O-N 3.12Å; N600-L603 PolarHBondContact OD1-N 2.99Å; N600-E604 PolarHBondContact N-O 2.95Å; N600-E604 PolarHBondContact OD1-N 2.87Å; N600-E604 PolarHBondContact OD1-O 2.88Å
601	A	95.7	Very high	96.3	Very high	12 Å²	12	37.1 Å²	37.1	10%	0.099	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-21.9	-179.1	0	0	0	0	0	111.9	P621 H664 Y665	A601-P621 HydrophobicContact CB-CG 4.01Å; A601-H664 HydrophobicContact CB-CB 3.7Å; A601-H664 CarbonylContact O-C 3.59Å; A601-H664 WeakPolarHBondContact O-CA 3.42Å; A601-Y665 WeakPolarHBondContact O-CB 3.45Å; A601-Y665 PolarHBondContact O-N 3.35Å
602	E	96.2	Very high	96.4	Very high	56 Å²	56	36.8 Å²	36.8	26%	0.262	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	3.3	173.4	-60.1	70.4	-158.2	0	0	112.8	N600 E604 N645 S662	N600-E602 PolarHBondContact ND2-OE2 3.47Å; N600-E602 PolarHBondContact O-N 2.83Å; N600-E602 WeakPolarHBondContact OD1-CA 3.4Å; N600-E602 WeakPolarHBondContact OD1-CB 3.49Å; N600-E602 PolarHBondContact OD1-N 3.12Å; N600-E602 PolarHBondContact OD1-OE2 2.89Å; E602-E604 PolarHBondContact O-N 2.7Å; E602-N645 WeakPolarHBondContact CA-ND2 3.44Å; E602-N645 PolarHBondContact O-ND2 3.03Å; E602-S662 WeakPolarHBondContact CG-OG 3.34Å
603	L	97.8	Very high	96.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	65.9	20.1	-178.1	-55.7	176.9	0	0	0	114.6	N600 F610 V611 Y618 A638 L641 A642	N600-L603 PolarHBondContact O-N 3.06Å; N600-L603 VanDerWaalsContact O-N 3.12Å; N600-L603 PolarHBondContact OD1-N 2.99Å; L603-F610 CarbonylContact O-C 3.54Å; L603-F610 VanDerWaalsContact O-CA 3.26Å; L603-F610 WeakPolarHBondContact O-CA 2.98Å; L603-V611 WeakPolarHBondContact CB-O 3.28Å; L603-V611 PolarHBondContact O-N 3.16Å; L603-Y618 HydrophobicContact CD2-CG 4.09Å; L603-A638 HydrophobicContact CD1-CB 3.77Å; L603-A638 WeakPolarHBondContact CD1-O 2.98Å; L603-L641 HydrophobicContact CD1-CB 4.2Å; L603-L641 HydrophobicContact CD1-CD2 4.03Å; L603-L641 HydrophobicContact CD1-CG 4.3Å; L603-L641 HydrophobicContact CG-CD2 4.33Å; L603-A642 HydrophobicContact CB-CB 4.29Å; L603-A642 HydrophobicContact CD1-CB 4.09Å
604	E	97.5	Very high	96.6	Very high	50 Å²	50	25.9 Å²	25.9	23%	0.234	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	126.6	172.6	-166.8	174.5	-156.9	0	0	110.2	A599 N600 E602 R606 Q607 G608 F610	A599-E604 CarbonylContact C-O 3.54Å; A599-E604 WeakPolarHBondContact CA-O 3.27Å; N600-E604 PolarHBondContact N-O 2.95Å; N600-E604 PolarHBondContact OD1-N 2.87Å; N600-E604 PolarHBondContact OD1-O 2.88Å; E602-E604 PolarHBondContact O-N 2.7Å; E604-R606 WeakPolarHBondContact CG-O 2.92Å; E604-Q607 WeakPolarHBondContact OE1-CA 3.39Å; E604-G608 PolarHBondContact OE1-N 3.14Å; E604-F610 HydrophobicContact CB-CD1 3.87Å; E604-F610 HydrophobicContact CB-CE1 3.63Å; E604-F610 HydrophobicContact CB-CZ 4.12Å; E604-F610 HydrophobicContact CG-CD1 4.33Å; E604-F610 HydrophobicContact CG-CE1 4Å; E604-F610 HydrophobicContact CG-CE2 4.28Å; E604-F610 HydrophobicContact CG-CZ 3.97Å
605	A	97.5	Very high	96.7	Very high	28 Å²	28	24.1 Å²	24.1	23%	0.231	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-37.9	178	0	0	0	0	0	112.3	L588 L598 A599 V609 V611	L588-A605 HydrophobicContact CD2-CB 4.12Å; L598-A605 WeakPolarHBondContact O-CA 3.49Å; L598-A605 VanDerWaalsContact O-CB 3.24Å; L598-A605 WeakPolarHBondContact O-CB 3.18Å; A599-A605 HydrophobicContact CB-CB 4.44Å; A605-V609 PolarHBondContact N-O 3.35Å; A605-V611 HydrophobicContact CB-CG2 3.57Å
606	R	95.6	Very high	96.9	Very high	75 Å²	75	23.1 Å²	23.1	28%	0.283	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	163.4	170.4	-81	-173.3	70.8	-168.9	-2.5	108.3	D349 A586 L588 E604 G608 V609	D349-R606 IonicContact OD1-CZ 3.26Å; D349-R606 IonicContact OD1-NH1 3.01Å; D349-R606 IonicContact OD1-NH2 2.69Å; D349-R606 PolarHBondContact OD1-NH2 2.91Å; A586-R606 PolarHBondContact O-NH1 2.9Å; L588-R606 HydrophobicContact CD2-CB 4.05Å; L588-R606 HydrophobicContact CD2-CG 3.66Å; E604-R606 WeakPolarHBondContact CG-O 2.92Å; R606-G608 PolarHBondContact O-N 2.69Å; R606-V609 HydrophobicContact CB-CB 4.3Å; R606-V609 PolarHBondContact N-O 2.91Å; R606-V609 CarbonylContact O-C 3.6Å; R606-V609 WeakPolarHBondContact O-CA 3.46Å; R606-V609 PolarHBondContact O-N 3.49Å
607	Q	93.8	Very high	96.9	Very high	165 Å²	165	23.1 Å²	23.1	77%	0.771	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.7	115.2	179.8	-172.9	179.4	16.8	0	0	111.7	E604 V609	E604-Q607 WeakPolarHBondContact OE1-CA 3.39Å; Q607-V609 VanDerWaalsContact C-N 3.27Å; Q607-V609 PolarHBondContact O-N 2.53Å
608	G	94.9	Very high	96.8	Very high	2 Å²	2	23.2 Å²	23.2	2%	0.021	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	5.4	-179.4	0	0	0	0	0	115.8	C366 E604 R606	C366-G608 PolarHBondContact N-O 2.77Å; E604-G608 PolarHBondContact OE1-N 3.14Å; R606-G608 PolarHBondContact O-N 2.69Å
609	V	98.1	Very high	96.7	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	113	175.5	-177.8	0	0	0	0	109.5	L346 P348 C366 L368 L588 A605 R606 Q607	L346-V609 HydrophobicContact CD2-CG1 4.2Å; P348-V609 HydrophobicContact CB-CG2 4.03Å; P348-V609 HydrophobicContact CG-CG2 4.31Å; C366-V609 WeakPolarHBondContact O-CA 3.29Å; L368-V609 HydrophobicContact CD1-CG1 4.22Å; L368-V609 HydrophobicContact CG-CG1 4.3Å; L588-V609 HydrophobicContact CD2-CG1 4.32Å; A605-V609 PolarHBondContact N-O 3.35Å; R606-V609 HydrophobicContact CB-CB 4.3Å; R606-V609 PolarHBondContact N-O 2.91Å; R606-V609 CarbonylContact O-C 3.6Å; R606-V609 WeakPolarHBondContact O-CA 3.46Å; R606-V609 PolarHBondContact O-N 3.49Å; Q607-V609 VanDerWaalsContact C-N 3.27Å; Q607-V609 PolarHBondContact O-N 2.53Å
610	F	98.6	Very high	96.6	Very high	1 Å²	1	26.8 Å²	26.8	0%	0.004	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	162.3	-178.3	-67.4	-98.8	0	0	0	110.9	C366 L367 L368 L603 E604 A642 N645 M646	C366-F610 PolarHBondContact O-N 2.95Å; L367-F610 CarbonylContact C-O 3.59Å; L367-F610 WeakPolarHBondContact CA-O 3.47Å; L367-F610 HydrophobicContact CD1-CB 3.75Å; L368-F610 PolarHBondContact N-O 3.47Å; L603-F610 CarbonylContact O-C 3.54Å; L603-F610 VanDerWaalsContact O-CA 3.26Å; L603-F610 WeakPolarHBondContact O-CA 2.98Å; E604-F610 HydrophobicContact CB-CD1 3.87Å; E604-F610 HydrophobicContact CB-CE1 3.63Å; E604-F610 HydrophobicContact CB-CZ 4.12Å; E604-F610 HydrophobicContact CG-CD1 4.33Å; E604-F610 HydrophobicContact CG-CE1 4Å; E604-F610 HydrophobicContact CG-CE2 4.28Å; E604-F610 HydrophobicContact CG-CZ 3.97Å; F610-A642 HydrophobicContact CB-CB 4.49Å; F610-N645 HydrophobicContact CD1-CB 4.29Å; F610-N645 HydrophobicContact CE1-CB 3.64Å; F610-N645 HydrophobicContact CZ-CB 4.34Å; F610-M646 HydrophobicContact CB-CG 4.21Å; F610-M646 HydrophobicContact CD1-CG 4.37Å; F610-M646 HydrophobicContact CD2-CB 4.47Å; F610-M646 HydrophobicContact CD2-CG 3.41Å; F610-M646 VanDerWaalsContact CD2-CG 3.41Å; F610-M646 HydrophobicContact CE2-CB 4.46Å; F610-M646 HydrophobicContact CE2-CG 3.83Å; F610-M646 HydrophobicContact CG-CG 3.73Å; F610-M646 HydrophobicContact CZ-CG 4.46Å
611	V	98.4	Very high	96.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	133.9	178.6	-168.6	0	0	0	0	109.9	L368 F597 A599 L603 A605 A615 A616	L368-V611 HydrophobicContact CB-CG1 4.28Å; L368-V611 HydrophobicContact CB-CG2 4.23Å; L368-V611 HydrophobicContact CD1-CG2 4.47Å; L368-V611 VanDerWaalsContact O-CA 3.31Å; L368-V611 WeakPolarHBondContact O-CA 3.38Å; L368-V611 WeakPolarHBondContact O-CG1 3.37Å; F597-V611 HydrophobicContact CB-CB 4.38Å; F597-V611 HydrophobicContact CB-CG1 3.95Å; F597-V611 HydrophobicContact CB-CG2 3.76Å; F597-V611 HydrophobicContact CD2-CG1 3.75Å; F597-V611 HydrophobicContact CD2-CG2 4.39Å; F597-V611 HydrophobicContact CG-CG1 4.26Å; F597-V611 HydrophobicContact CG-CG2 4.24Å; A599-V611 HydrophobicContact CB-CB 4.38Å; L603-V611 WeakPolarHBondContact CB-O 3.28Å; L603-V611 PolarHBondContact O-N 3.16Å; A605-V611 HydrophobicContact CB-CG2 3.57Å; V611-A615 HydrophobicContact CG1-CB 4.31Å; V611-A616 HydrophobicContact CB-CB 4.28Å; V611-A616 HydrophobicContact CG1-CB 3.81Å
612	A	98	Very high	96.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.122	C	C	.	.			trans	-141.3	161.6	178.1	0	0	0	0	0	113.1	A235 L367 L368 A638 A642	A235-A612 HydrophobicContact CB-CB 4.13Å; L367-A612 HydrophobicContact CD1-CB 3.92Å; L368-A612 PolarHBondContact O-N 3.48Å; A612-A638 HydrophobicContact CB-CB 4.29Å; A612-A642 HydrophobicContact CB-CB 4.08Å
613	G	96.3	Very high	95.9	Very high	2 Å²	2	23.2 Å²	23.2	2%	0.021	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	70.8	-157.3	-179	0	0	0	0	0	113.5	A615 A616 F634	G613-A615 PolarHBondContact O-N 3.27Å; G613-A616 WeakPolarHBondContact O-CB 3.29Å; G613-A616 PolarHBondContact O-N 3.39Å; G613-F634 WeakPolarHBondContact O-CE1 3.46Å
614	D	95.2	Very high	95.5	Very high	7 Å²	7	23.8 Å²	23.8	4%	0.037	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-56.4	-22.2	-169.7	-62.9	4.9	0	0	0	114.7	R400 R628 E630	R400-D614 IonicContact CZ-OD2 2.65Å; R400-D614 IonicContact NH1-OD2 3.62Å; R400-D614 IonicContact NH2-OD2 3.35Å; R400-D614 PolarHBondContact NH2-OD2 3.04Å; D614-R628 VanDerWaalsContact O-CD 3.31Å; D614-R628 WeakPolarHBondContact O-CD 3.4Å; D614-R628 WeakPolarHBondContact O-CG 3.46Å; D614-E630 WeakPolarHBondContact OD1-CA 3.42Å
615	A	96	Very high	95.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-79	-14.1	177.8	0	0	0	0	0	113.9	T370 G596 F597 V611 G613	T370-A615 WeakPolarHBondContact OG1-CB 3.47Å; G596-A615 CarbonylContact C-O 3.53Å; G596-A615 WeakPolarHBondContact CA-O 3.39Å; F597-A615 HydrophobicContact CD2-CB 4.11Å; F597-A615 HydrophobicContact CE2-CB 4.27Å; F597-A615 PolarHBondContact N-O 2.98Å; V611-A615 HydrophobicContact CG1-CB 4.31Å; G613-A615 PolarHBondContact O-N 3.27Å
616	A	97.8	Very high	95.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	123.3	-174.3	0	0	0	0	0	112.5	V611 G613 R628	V611-A616 HydrophobicContact CB-CB 4.28Å; V611-A616 HydrophobicContact CG1-CB 3.81Å; G613-A616 WeakPolarHBondContact O-CB 3.29Å; G613-A616 PolarHBondContact O-N 3.39Å; A616-R628 WeakPolarHBondContact O-CG 3.4Å
617	S	97.7	Very high	95	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	94.5	162.7	-168.5	0	0	0	0	109.9	D591 G595 F597 A599 R626 R627	D591-S617 PolarHBondContact OD2-OG 2.59Å; G595-S617 WeakPolarHBondContact O-CB 3.46Å; F597-S617 WeakPolarHBondContact O-CA 3.42Å; F597-S617 PolarHBondContact O-N 2.87Å; A599-S617 PolarHBondContact N-O 2.9Å; S617-R626 PolarHBondContact O-NH1 3.02Å; S617-R627 CarbonylContact C-O 3.58Å; S617-R627 WeakPolarHBondContact CA-O 3.36Å
618	Y	96.5	Very high	95.1	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.008	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	157.2	-171	73.1	-78	0	0	0	111.9	A599 L603 D620 R626 R627 V629 F634 Y665	A599-Y618 WeakPolarHBondContact O-CA 3.48Å; L603-Y618 HydrophobicContact CD2-CG 4.09Å; Y618-D620 HydrophobicContact CD2-CB 4.35Å; Y618-D620 HydrophobicContact CE2-CB 3.64Å; Y618-D620 PolarHBondContact OH-OD2 3.33Å; Y618-R626 WeakPolarHBondContact O-CA 3.38Å; Y618-R626 WeakPolarHBondContact O-CD 3.4Å; Y618-R627 VanDerWaalsContact CD1-O 3.32Å; Y618-R627 WeakPolarHBondContact CD1-O 3.34Å; Y618-R627 HydrophobicContact CE1-CB 3.95Å; Y618-R627 PolarHBondContact N-O 2.71Å; Y618-R627 PolarHBondContact O-N 3.04Å; Y618-V629 HydrophobicContact CE1-CG2 4.27Å; Y618-F634 AromaticContact CD1-CE2 3.74Å; Y618-F634 HydrophobicContact CD1-CE2 3.74Å; Y618-F634 AromaticContact CD1-CZ 3.45Å; Y618-F634 HydrophobicContact CD1-CZ 3.45Å; Y618-F634 VanDerWaalsContact CD1-CZ 3.45Å; Y618-F634 HydrophobicContact CE1-CD2 4.16Å; Y618-F634 HydrophobicContact CE1-CE1 4.33Å; Y618-F634 AromaticContact CE1-CE2 3.17Å; Y618-F634 HydrophobicContact CE1-CE2 3.17Å; Y618-F634 AromaticContact CE1-CZ 3.28Å; Y618-F634 HydrophobicContact CE1-CZ 3.28Å; Y618-F634 HydrophobicContact CG-CZ 4.46Å; Y618-F634 AromaticContact CZ-CE2 3.64Å; Y618-Y665 HydrophobicContact CD2-CD1 4.01Å; Y618-Y665 HydrophobicContact CD2-CG 4.34Å; Y618-Y665 AromaticContact CE2-CD1 3.32Å; Y618-Y665 HydrophobicContact CE2-CD1 3.32Å; Y618-Y665 AromaticContact CE2-CE1 3.73Å; Y618-Y665 HydrophobicContact CE2-CE1 3.73Å; Y618-Y665 HydrophobicContact CE2-CG 4.08Å; Y618-Y665 AromaticContact CZ-CD1 3.88Å; Y618-Y665 AromaticContact CZ-CE1 3.77Å
619	W	95.9	Very high	95	Very high	108 Å²	108	17.2 Å²	17.2	41%	0.409	8%	0.079	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	117.2	167.6	178.3	-105	0	0	0	109.7	A599 P621 G624 C625 R626	A599-W619 PolarHBondContact O-N 3.1Å; W619-P621 VanDerWaalsContact O-CD 3.28Å; W619-P621 WeakPolarHBondContact O-CD 3.5Å; W619-G624 VanDerWaalsContact CH2-C 3.47Å; W619-G624 VanDerWaalsContact CH2-O 3.28Å; W619-G624 WeakPolarHBondContact CH2-O 3.46Å; W619-C625 VanDerWaalsContact CZ3-CA 3.5Å; W619-R626 HydrophobicContact CE3-CG 4.03Å
620	D	94.4	Very high	94.6	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	109.6	175.3	-172.7	-39.9	0	0	0	110.1	Y618 V622 V623 G624 C625 R627 Q668	Y618-D620 HydrophobicContact CD2-CB 4.35Å; Y618-D620 HydrophobicContact CE2-CB 3.64Å; Y618-D620 PolarHBondContact OH-OD2 3.33Å; D620-V622 VanDerWaalsContact C-N 3.32Å; D620-V622 PolarHBondContact O-N 2.94Å; D620-V622 WeakPolarHBondContact OD1-CA 3.45Å; D620-V622 WeakPolarHBondContact OD1-CB 3.46Å; D620-V622 PolarHBondContact OD1-N 3.2Å; D620-V623 PolarHBondContact OD1-N 3.02Å; D620-G624 VanDerWaalsContact O-CA 3.23Å; D620-G624 WeakPolarHBondContact O-CA 3.48Å; D620-G624 PolarHBondContact O-N 2.73Å; D620-C625 WeakPolarHBondContact CB-O 3.18Å; D620-C625 PolarHBondContact N-O 2.59Å; D620-C625 PolarHBondContact O-N 2.78Å; D620-R627 VanDerWaalsContact CB-CD 3.49Å; D620-R627 HydrophobicContact CB-CG 4Å; D620-R627 WeakPolarHBondContact OD2-CD 3.41Å; D620-R627 IonicContact OD2-NE 2.79Å; D620-Q668 PolarHBondContact OD1-NE2 3.41Å; D620-Q668 PolarHBondContact OD2-NE2 3.48Å; D620-Q668 PolarHBondContact OD2-OE1 2.71Å
621	P	91.7	Very high	94.1	Very high	27 Å²	27	22.6 Å²	22.6	18%	0.175	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-22.5	-178.8	-16.5	33.1	0	0	0	113.7	A601 W619 Y665 K786	A601-P621 HydrophobicContact CB-CG 4.01Å; W619-P621 VanDerWaalsContact O-CD 3.28Å; W619-P621 WeakPolarHBondContact O-CD 3.5Å; P621-Y665 WeakPolarHBondContact CD-O 2.88Å; P621-Y665 WeakPolarHBondContact CG-O 3.35Å; P621-K786 WeakPolarHBondContact O-CE 3.36Å; P621-K786 PolarHBondContact O-NZ 3.49Å
622	V	91.2	Very high	93.6	Very high	15 Å²	15	24.9 Å²	24.9	9%	0.091	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-47.4	-179.1	170.9	0	0	0	0	109.9	D620 Q666 Q668 R751 L783	D620-V622 VanDerWaalsContact C-N 3.32Å; D620-V622 PolarHBondContact O-N 2.94Å; D620-V622 WeakPolarHBondContact OD1-CA 3.45Å; D620-V622 WeakPolarHBondContact OD1-CB 3.46Å; D620-V622 PolarHBondContact OD1-N 3.2Å; V622-Q666 WeakPolarHBondContact CG2-O 3.46Å; V622-Q668 HydrophobicContact CB-CG 4.29Å; V622-Q668 HydrophobicContact CG1-CG 3.83Å; V622-R751 PolarHBondContact O-NH2 3.33Å; V622-L783 HydrophobicContact CG1-CB 4.24Å
623	V	90.2	Very high	93.2	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.024	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-22.8	176.9	-176.4	0	0	0	0	112	D620 Q668 L686 R751 V753	D620-V623 PolarHBondContact OD1-N 3.02Å; V623-Q668 VanDerWaalsContact CG2-OE1 3.28Å; V623-L686 HydrophobicContact CG1-CD1 3.59Å; V623-L686 HydrophobicContact CG1-CG 3.87Å; V623-R751 PolarHBondContact O-NH1 3.04Å; V623-R751 PolarHBondContact O-NH2 3.34Å; V623-V753 HydrophobicContact CG1-CB 4.02Å; V623-V753 HydrophobicContact CG1-CG1 3.97Å
624	G	90.4	Very high	93.1	Very high	12 Å²	12	26.1 Å²	26.1	12%	0.124	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	35.4	177.8	0	0	0	0	0	113.2	W619 D620	W619-G624 VanDerWaalsContact CH2-C 3.47Å; W619-G624 VanDerWaalsContact CH2-O 3.28Å; W619-G624 WeakPolarHBondContact CH2-O 3.46Å; D620-G624 VanDerWaalsContact O-CA 3.23Å; D620-G624 WeakPolarHBondContact O-CA 3.48Å; D620-G624 PolarHBondContact O-N 2.73Å
625	C	91.3	Very high	93.1	Very high	16 Å²	16	26.2 Å²	26.2	11%	0.108	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	166.8	174.3	73	0	0	0	0	111.6	Y116 W619 D620	Y116-C625 HydrophobicContact CD1-CB 4.23Å; Y116-C625 HydrophobicContact CE1-CB 4.27Å; W619-C625 VanDerWaalsContact CZ3-CA 3.5Å; D620-C625 WeakPolarHBondContact CB-O 3.18Å; D620-C625 PolarHBondContact N-O 2.59Å; D620-C625 PolarHBondContact O-N 2.78Å
626	R	94.7	Very high	93	Very high	87 Å²	87	28.7 Å²	28.7	33%	0.328	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	139.5	169.3	-71.1	-71.7	-179	162.2	-7.4	110.7	A599 S617 Y618 W619	A599-R626 PolarHBondContact O-NH1 2.97Å; S617-R626 PolarHBondContact O-NH1 3.02Å; Y618-R626 WeakPolarHBondContact O-CA 3.38Å; Y618-R626 WeakPolarHBondContact O-CD 3.4Å; W619-R626 HydrophobicContact CE3-CG 4.03Å
627	R	93.8	Very high	92.9	Very high	25 Å²	25	32.6 Å²	32.6	9%	0.094	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	147.7	179.9	-61.8	178.8	65.2	121.5	5.1	110.9	S617 Y618 D620 V629 G685 L686	S617-R627 CarbonylContact C-O 3.58Å; S617-R627 WeakPolarHBondContact CA-O 3.36Å; Y618-R627 VanDerWaalsContact CD1-O 3.32Å; Y618-R627 WeakPolarHBondContact CD1-O 3.34Å; Y618-R627 HydrophobicContact CE1-CB 3.95Å; Y618-R627 PolarHBondContact N-O 2.71Å; Y618-R627 PolarHBondContact O-N 3.04Å; D620-R627 VanDerWaalsContact CB-CD 3.49Å; D620-R627 HydrophobicContact CB-CG 4Å; D620-R627 WeakPolarHBondContact OD2-CD 3.41Å; D620-R627 IonicContact OD2-NE 2.79Å; R627-V629 HydrophobicContact CB-CG2 4.34Å; R627-G685 VanDerWaalsContact NH1-C 3.32Å; R627-G685 PolarHBondContact NH1-O 3.04Å; R627-G685 PolarHBondContact NH2-O 3.44Å; R627-L686 HydrophobicContact CG-CD2 4.43Å; R627-L686 VanDerWaalsContact NH1-CD2 3.32Å
628	R	95.5	Very high	92.8	Very high	46 Å²	46	32.6 Å²	32.6	17%	0.174	15%	0.153	C	C	.	.			trans	-123.4	130.6	159.3	-173	171.3	67.6	72.8	10.9	107.4	N594 G595 D614 A616 E630	N594-R628 HydrophobicContact CB-CB 4.15Å; N594-R628 PolarHBondContact O-NE 3.49Å; N594-R628 PolarHBondContact O-NH2 2.92Å; G595-R628 WeakPolarHBondContact O-CD 3.29Å; D614-R628 VanDerWaalsContact O-CD 3.31Å; D614-R628 WeakPolarHBondContact O-CD 3.4Å; D614-R628 WeakPolarHBondContact O-CG 3.46Å; A616-R628 WeakPolarHBondContact O-CG 3.4Å; R628-E630 IonicContact CZ-OE1 3.18Å; R628-E630 VanDerWaalsContact NH1-CG 3.35Å; R628-E630 IonicContact NH1-OE1 3.92Å; R628-E630 PolarHBondContact NH1-OE1 3.38Å; R628-E630 IonicContact NH2-OE1 2.71Å; R628-E630 PolarHBondContact NH2-OE1 2.97Å
629	V	93.1	Very high	92.9	Very high	9 Å²	9	32.5 Å²	32.5	6%	0.055	15%	0.153	C	C	.	.			trans	-127	128.6	-173.2	-179.4	0	0	0	0	108	Y618 R627 H631 F634	Y618-V629 HydrophobicContact CE1-CG2 4.27Å; R627-V629 HydrophobicContact CB-CG2 4.34Å; V629-H631 HydrophobicContact CG1-CB 4.01Å; V629-H631 WeakPolarHBondContact CG1-CD2 3.38Å; V629-F634 HydrophobicContact CB-CB 4.05Å; V629-F634 HydrophobicContact CB-CD1 3.74Å; V629-F634 HydrophobicContact CB-CD2 4.1Å; V629-F634 HydrophobicContact CB-CE1 4.2Å; V629-F634 HydrophobicContact CB-CG 3.67Å; V629-F634 HydrophobicContact CG1-CB 3.64Å; V629-F634 HydrophobicContact CG1-CD1 4.25Å; V629-F634 HydrophobicContact CG1-CD2 4.45Å; V629-F634 HydrophobicContact CG1-CG 3.86Å; V629-F634 WeakPolarHBondContact O-CD1 3.41Å
630	E	90.2	Very high	93	Very high	60 Å²	60	28.6 Å²	28.6	28%	0.28	14%	0.143	S	C	.	.			trans	-107.8	45.5	-171.2	-59.3	168.6	-176.3	0	0	110.6	I576 D614 R628	I576-E630 HydrophobicContact CB-CG 4.4Å; I576-E630 WeakPolarHBondContact CB-OE2 3.34Å; D614-E630 WeakPolarHBondContact OD1-CA 3.42Å; R628-E630 IonicContact CZ-OE1 3.18Å; R628-E630 VanDerWaalsContact NH1-CG 3.35Å; R628-E630 IonicContact NH1-OE1 3.92Å; R628-E630 PolarHBondContact NH1-OE1 3.38Å; R628-E630 IonicContact NH2-OE1 2.71Å; R628-E630 PolarHBondContact NH2-OE1 2.97Å
631	H	87.8	Confident	93.1	Very high	55 Å²	55	29.5 Å²	29.5	26%	0.255	15%	0.147	S	C	.	.			trans	-122.4	145.3	-170.6	-56.4	-25.1	0	0	0	111	V629 N633 F634 A635 I671	V629-H631 HydrophobicContact CG1-CB 4.01Å; V629-H631 WeakPolarHBondContact CG1-CD2 3.38Å; H631-N633 PolarHBondContact O-N 3.02Å; H631-F634 HydrophobicContact CB-CB 4.32Å; H631-F634 WeakPolarHBondContact O-CB 3.37Å; H631-F634 PolarHBondContact O-N 2.79Å; H631-F634 VanDerWaalsContact O-N 3.16Å; H631-A635 PolarHBondContact O-N 2.97Å; H631-I671 VanDerWaalsContact CE1-CD1 3.42Å; H631-I671 WeakPolarHBondContact CE1-CD1 3.45Å
632	L	88.3	Confident	93.4	Very high	48 Å²	48	28.2 Å²	28.2	25%	0.251	14%	0.139	S	C	.	.	H	α-helix	trans	-58.2	-48.3	179.9	-179.6	63.2	0	0	0	111.9	A234 R282 F634 A635 E636	A234-L632 HydrophobicContact CB-CD1 3.45Å; A234-L632 VanDerWaalsContact CB-CD1 3.45Å; R282-L632 HydrophobicContact CB-CD2 4.45Å; L632-F634 VanDerWaalsContact C-N 3.28Å; L632-F634 PolarHBondContact O-N 2.76Å; L632-A635 WeakPolarHBondContact O-CA 3.4Å; L632-A635 WeakPolarHBondContact O-CB 3.38Å; L632-A635 PolarHBondContact O-N 3Å; L632-E636 HydrophobicContact CD1-CG 4.39Å; L632-E636 PolarHBondContact O-N 2.88Å
633	N	89.5	Confident	93.7	Very high	28 Å²	28	27.5 Å²	27.5	15%	0.15	13%	0.134	C	C	.	.	H	α-helix	trans	-55.2	-44.8	176.9	178.1	-22.5	0	0	0	111.1	H631 A635 E636 E637 S670	H631-N633 PolarHBondContact O-N 3.02Å; N633-A635 PolarHBondContact O-N 2.69Å; N633-E636 PolarHBondContact O-N 2.72Å; N633-E637 WeakPolarHBondContact O-CB 3.23Å; N633-E637 WeakPolarHBondContact O-CG 3.24Å; N633-E637 PolarHBondContact O-N 3.38Å; N633-E637 WeakPolarHBondContact OD1-CG 3.36Å; N633-S670 PolarHBondContact ND2-OG 3.43Å
634	F	94	Very high	94	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61	-44.9	174.8	175.8	-108.7	0	0	0	112.4	G613 Y618 V629 H631 L632 E636 E637 A638 Y665 S669	G613-F634 WeakPolarHBondContact O-CE1 3.46Å; Y618-F634 AromaticContact CD1-CE2 3.74Å; Y618-F634 HydrophobicContact CD1-CE2 3.74Å; Y618-F634 AromaticContact CD1-CZ 3.45Å; Y618-F634 HydrophobicContact CD1-CZ 3.45Å; Y618-F634 VanDerWaalsContact CD1-CZ 3.45Å; Y618-F634 HydrophobicContact CE1-CD2 4.16Å; Y618-F634 HydrophobicContact CE1-CE1 4.33Å; Y618-F634 AromaticContact CE1-CE2 3.17Å; Y618-F634 HydrophobicContact CE1-CE2 3.17Å; Y618-F634 AromaticContact CE1-CZ 3.28Å; Y618-F634 HydrophobicContact CE1-CZ 3.28Å; Y618-F634 HydrophobicContact CG-CZ 4.46Å; Y618-F634 AromaticContact CZ-CE2 3.64Å; V629-F634 HydrophobicContact CB-CB 4.05Å; V629-F634 HydrophobicContact CB-CD1 3.74Å; V629-F634 HydrophobicContact CB-CD2 4.1Å; V629-F634 HydrophobicContact CB-CE1 4.2Å; V629-F634 HydrophobicContact CB-CG 3.67Å; V629-F634 HydrophobicContact CG1-CB 3.64Å; V629-F634 HydrophobicContact CG1-CD1 4.25Å; V629-F634 HydrophobicContact CG1-CD2 4.45Å; V629-F634 HydrophobicContact CG1-CG 3.86Å; V629-F634 WeakPolarHBondContact O-CD1 3.41Å; H631-F634 HydrophobicContact CB-CB 4.32Å; H631-F634 WeakPolarHBondContact O-CB 3.37Å; H631-F634 PolarHBondContact O-N 2.79Å; H631-F634 VanDerWaalsContact O-N 3.16Å; L632-F634 VanDerWaalsContact C-N 3.28Å; L632-F634 PolarHBondContact O-N 2.76Å; F634-E636 VanDerWaalsContact C-N 3.33Å; F634-E636 PolarHBondContact O-N 2.8Å; F634-E637 PolarHBondContact O-N 2.84Å; F634-A638 HydrophobicContact CD2-CB 4.27Å; F634-A638 HydrophobicContact CE1-CB 4.31Å; F634-A638 HydrophobicContact CE2-CB 3.84Å; F634-A638 HydrophobicContact CZ-CB 3.87Å; F634-A638 WeakPolarHBondContact O-CB 3.44Å; F634-A638 PolarHBondContact O-N 3.31Å; F634-Y665 HydrophobicContact CD2-CE1 4.36Å; F634-Y665 HydrophobicContact CD2-CE2 4.43Å; F634-Y665 AromaticContact CD2-CZ 3.82Å; F634-Y665 WeakPolarHBondContact CD2-OH 3.4Å; F634-Y665 HydrophobicContact CE2-CE1 4.15Å; F634-Y665 HydrophobicContact CE2-CE2 4.23Å; F634-Y665 AromaticContact CE2-CZ 3.85Å; F634-S669 VanDerWaalsContact CA-OG 3.23Å; F634-S669 WeakPolarHBondContact CA-OG 3.38Å; F634-S669 WeakPolarHBondContact CB-OG 3.35Å
635	A	95.3	Very high	94.3	Very high	9 Å²	9	31.1 Å²	31.1	7%	0.074	15%	0.146	C	C	.	.	H	α-helix	trans	-59.1	-44.2	178.5	0	0	0	0	0	112	A234 A235 H631 L632 N633 G639	A234-A635 HydrophobicContact CB-CB 4.23Å; A235-A635 WeakPolarHBondContact CA-O 3.37Å; A235-A635 HydrophobicContact CB-CB 4.1Å; A235-A635 WeakPolarHBondContact CB-O 3.21Å; H631-A635 PolarHBondContact O-N 2.97Å; L632-A635 WeakPolarHBondContact O-CA 3.4Å; L632-A635 WeakPolarHBondContact O-CB 3.38Å; L632-A635 PolarHBondContact O-N 3Å; N633-A635 PolarHBondContact O-N 2.69Å; A635-G639 WeakPolarHBondContact O-CA 3.31Å; A635-G639 PolarHBondContact O-N 3.47Å
636	E	94.3	Very high	94.5	Very high	52 Å²	52	30.3 Å²	30.3	24%	0.243	14%	0.141	C	C	.	.	H	α-helix	trans	-66.6	-48.6	179.1	-68.2	177.4	142.5	0	0	112.4	A234 S238 Y315 L632 N633 F634 G639 S640	A234-E636 HydrophobicContact CB-CG 4.14Å; S238-E636 WeakPolarHBondContact CB-O 3.3Å; S238-E636 PolarHBondContact OG-O 2.88Å; Y315-E636 PolarHBondContact OH-OE1 2.92Å; L632-E636 HydrophobicContact CD1-CG 4.39Å; L632-E636 PolarHBondContact O-N 2.88Å; N633-E636 PolarHBondContact O-N 2.72Å; F634-E636 VanDerWaalsContact C-N 3.33Å; F634-E636 PolarHBondContact O-N 2.8Å; E636-G639 PolarHBondContact O-N 2.95Å; E636-S640 WeakPolarHBondContact O-CB 3.28Å; E636-S640 PolarHBondContact O-N 3.45Å
637	E	94.9	Very high	94.6	Very high	81 Å²	81	26.3 Å²	26.3	38%	0.379	13%	0.126	S	C	.	.	H	α-helix	trans	-67.3	-45.5	-179.3	-72	-64.8	158.3	0	0	112.1	N633 F634 S640 L641 Y665	N633-E637 WeakPolarHBondContact O-CB 3.23Å; N633-E637 WeakPolarHBondContact O-CG 3.24Å; N633-E637 PolarHBondContact O-N 3.38Å; N633-E637 WeakPolarHBondContact OD1-CG 3.36Å; F634-E637 PolarHBondContact O-N 2.84Å; E637-S640 PolarHBondContact O-N 3.25Å; E637-L641 WeakPolarHBondContact O-CB 3.48Å; E637-L641 PolarHBondContact O-N 3.17Å; E637-Y665 HydrophobicContact CB-CE2 4.19Å
638	A	96.9	Very high	94.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.7	-40.4	176.7	0	0	0	0	0	111.5	L603 A612 F634 L641 A642 Y665	L603-A638 HydrophobicContact CD1-CB 3.77Å; L603-A638 WeakPolarHBondContact CD1-O 2.98Å; A612-A638 HydrophobicContact CB-CB 4.29Å; F634-A638 HydrophobicContact CD2-CB 4.27Å; F634-A638 HydrophobicContact CE1-CB 4.31Å; F634-A638 HydrophobicContact CE2-CB 3.84Å; F634-A638 HydrophobicContact CZ-CB 3.87Å; F634-A638 WeakPolarHBondContact O-CB 3.44Å; F634-A638 PolarHBondContact O-N 3.31Å; A638-L641 PolarHBondContact O-N 3Å; A638-A642 VanDerWaalsContact O-CB 3.28Å; A638-A642 WeakPolarHBondContact O-CB 3.1Å; A638-A642 PolarHBondContact O-N 2.97Å; A638-Y665 HydrophobicContact CB-CE2 4.3Å
639	G	97.7	Very high	94.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.1	-49.8	174.8	0	0	0	0	0	111.6	A235 A239 A635 E636 L641 A642 G643	A235-G639 WeakPolarHBondContact O-CA 3.48Å; A239-G639 WeakPolarHBondContact CA-O 3.21Å; A239-G639 WeakPolarHBondContact CB-O 3.42Å; A635-G639 WeakPolarHBondContact O-CA 3.31Å; A635-G639 PolarHBondContact O-N 3.47Å; E636-G639 PolarHBondContact O-N 2.95Å; G639-L641 VanDerWaalsContact C-N 3.35Å; G639-L641 PolarHBondContact O-N 3.07Å; G639-A642 PolarHBondContact O-N 2.88Å; G639-G643 PolarHBondContact O-N 3.14Å
640	S	97.3	Very high	94.2	Very high	27 Å²	27	26.8 Å²	26.8	19%	0.189	14%	0.137	C	C	.	.	H	α-helix	trans	-58.2	-45.7	177.4	-178.4	0	0	0	0	112	S242 E636 E637 G643 K644	S242-S640 VanDerWaalsContact CB-O 3.32Å; S242-S640 WeakPolarHBondContact CB-O 3.31Å; S242-S640 PolarHBondContact OG-O 2.93Å; E636-S640 WeakPolarHBondContact O-CB 3.28Å; E636-S640 PolarHBondContact O-N 3.45Å; E637-S640 PolarHBondContact O-N 3.25Å; S640-G643 PolarHBondContact O-N 2.89Å; S640-K644 PolarHBondContact O-N 2.91Å; S640-K644 VanDerWaalsContact O-N 3.15Å
641	L	97	Very high	93.9	Very high	18 Å²	18	27.1 Å²	27.1	9%	0.094	14%	0.138	C	C	.	.	H	α-helix	trans	-63.6	-48.3	177.4	179.8	65	0	0	0	112.2	L603 E637 A638 G639 G643 K644 N645 S663 Y665	L603-L641 HydrophobicContact CD1-CB 4.2Å; L603-L641 HydrophobicContact CD1-CD2 4.03Å; L603-L641 HydrophobicContact CD1-CG 4.3Å; L603-L641 HydrophobicContact CG-CD2 4.33Å; E637-L641 WeakPolarHBondContact O-CB 3.48Å; E637-L641 PolarHBondContact O-N 3.17Å; A638-L641 PolarHBondContact O-N 3Å; G639-L641 VanDerWaalsContact C-N 3.35Å; G639-L641 PolarHBondContact O-N 3.07Å; L641-G643 VanDerWaalsContact C-N 3.26Å; L641-G643 PolarHBondContact O-N 3.32Å; L641-K644 PolarHBondContact O-N 3.33Å; L641-K644 VanDerWaalsContact O-N 3.12Å; L641-N645 PolarHBondContact O-N 2.93Å; L641-S663 WeakPolarHBondContact CD1-OG 3.49Å; L641-Y665 VanDerWaalsContact CD2-CA 3.45Å; L641-Y665 HydrophobicContact CD2-CD2 3.61Å; L641-Y665 HydrophobicContact CD2-CG 4.09Å
642	A	97.9	Very high	92.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.5	-41.7	178.4	0	0	0	0	0	110.8	L367 L603 F610 A612 A638 G639 K644 N645 M646	L367-A642 HydrophobicContact CD1-CB 3.89Å; L603-A642 HydrophobicContact CB-CB 4.29Å; L603-A642 HydrophobicContact CD1-CB 4.09Å; F610-A642 HydrophobicContact CB-CB 4.49Å; A612-A642 HydrophobicContact CB-CB 4.08Å; A638-A642 VanDerWaalsContact O-CB 3.28Å; A638-A642 WeakPolarHBondContact O-CB 3.1Å; A638-A642 PolarHBondContact O-N 2.97Å; G639-A642 PolarHBondContact O-N 2.88Å; A642-K644 PolarHBondContact O-N 3.37Å; A642-N645 PolarHBondContact O-N 3.25Å; A642-M646 VanDerWaalsContact O-CG 3.24Å; A642-M646 WeakPolarHBondContact O-CG 3.43Å; A642-M646 PolarHBondContact O-N 3.37Å
643	G	97.7	Very high	91.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.1	-44.5	174.2	0	0	0	0	0	113.4	I243 G639 S640 L641 N645 M646 V647	I243-G643 WeakPolarHBondContact CG1-O 3.41Å; G639-G643 PolarHBondContact O-N 3.14Å; S640-G643 PolarHBondContact O-N 2.89Å; L641-G643 VanDerWaalsContact C-N 3.26Å; L641-G643 PolarHBondContact O-N 3.32Å; G643-N645 PolarHBondContact O-N 3.46Å; G643-M646 PolarHBondContact O-N 2.98Å; G643-V647 WeakPolarHBondContact O-CG2 3.08Å; G643-V647 PolarHBondContact O-N 2.84Å
644	K	96	Very high	89.1	Confident	92 Å²	92	34.9 Å²	34.9	40%	0.4	19%	0.187	S	C	.	.	H	α-helix	trans	-62.5	-43.8	174.9	-67.2	175.9	-175.3	167.1	0	111.5	S242 S640 L641 A642 V647 A648	S242-K644 VanDerWaalsContact OG-CG 3.23Å; S242-K644 WeakPolarHBondContact OG-CG 3.43Å; S640-K644 PolarHBondContact O-N 2.91Å; S640-K644 VanDerWaalsContact O-N 3.15Å; L641-K644 PolarHBondContact O-N 3.33Å; L641-K644 VanDerWaalsContact O-N 3.12Å; A642-K644 PolarHBondContact O-N 3.37Å; K644-V647 PolarHBondContact O-N 3.24Å; K644-A648 WeakPolarHBondContact O-CB 3.44Å; K644-A648 PolarHBondContact O-N 2.77Å
645	N	96.5	Very high	86.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-70	-32.8	-178.5	-69.3	-16.7	0	0	0	112.2	E602 F610 L641 A642 G643 A648 S649 S662 S663	E602-N645 WeakPolarHBondContact CA-ND2 3.44Å; E602-N645 PolarHBondContact O-ND2 3.03Å; F610-N645 HydrophobicContact CD1-CB 4.29Å; F610-N645 HydrophobicContact CE1-CB 3.64Å; F610-N645 HydrophobicContact CZ-CB 4.34Å; L641-N645 PolarHBondContact O-N 2.93Å; A642-N645 PolarHBondContact O-N 3.25Å; G643-N645 PolarHBondContact O-N 3.46Å; N645-A648 PolarHBondContact O-N 2.98Å; N645-S649 WeakPolarHBondContact O-CB 3.29Å; N645-S649 PolarHBondContact O-N 3.38Å; N645-S649 PolarHBondContact O-OG 2.81Å; N645-S649 VanDerWaalsContact O-OG 3.14Å; N645-S662 WeakPolarHBondContact OD1-CA 3.36Å; N645-S662 PolarHBondContact OD1-OG 3.38Å; N645-S663 PolarHBondContact ND2-O 3.48Å; N645-S663 PolarHBondContact OD1-N 3.41Å; N645-S663 PolarHBondContact OD1-O 2.89Å
646	M	96.7	Very high	84.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.9	-49.2	170.2	-72.8	170.6	85.1	0	0	111	Y227 I243 R365 L367 F610 A642 G643 S649 L650	Y227-M646 HydrophobicContact CD1-CB 4.48Å; Y227-M646 HydrophobicContact CD1-CE 4.12Å; Y227-M646 HydrophobicContact CE1-CB 4.32Å; I243-M646 HydrophobicContact CD1-CE 4.33Å; I243-M646 HydrophobicContact CD1-SD 3.96Å; R365-M646 HydrophobicContact CB-CB 4.32Å; R365-M646 HydrophobicContact CB-CE 3.69Å; R365-M646 HydrophobicContact CB-CG 4.38Å; L367-M646 HydrophobicContact CB-CE 3.88Å; L367-M646 HydrophobicContact CB-SD 3.71Å; L367-M646 HydrophobicContact CD2-SD 4.39Å; L367-M646 HydrophobicContact CG-SD 4.5Å; F610-M646 HydrophobicContact CB-CG 4.21Å; F610-M646 HydrophobicContact CD1-CG 4.37Å; F610-M646 HydrophobicContact CD2-CB 4.47Å; F610-M646 HydrophobicContact CD2-CG 3.41Å; F610-M646 VanDerWaalsContact CD2-CG 3.41Å; F610-M646 HydrophobicContact CE2-CB 4.46Å; F610-M646 HydrophobicContact CE2-CG 3.83Å; F610-M646 HydrophobicContact CG-CG 3.73Å; F610-M646 HydrophobicContact CZ-CG 4.46Å; A642-M646 VanDerWaalsContact O-CG 3.24Å; A642-M646 WeakPolarHBondContact O-CG 3.43Å; A642-M646 PolarHBondContact O-N 3.37Å; G643-M646 PolarHBondContact O-N 2.98Å; M646-S649 PolarHBondContact O-N 2.78Å; M646-S649 PolarHBondContact O-OG 3.11Å; M646-L650 PolarHBondContact O-N 2.97Å; M646-L650 VanDerWaalsContact O-N 3.15Å
647	V	95.7	Very high	82.4	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.012	28%	0.28	C	S	.	.	H	α-helix	trans	-63.6	-49	177.7	174.4	0	0	0	0	111.3	Y227 I243 D247 G643 K644 S649 L650 F651	Y227-V647 HydrophobicContact CE1-CG2 4.34Å; I243-V647 HydrophobicContact CB-CG2 4.12Å; I243-V647 HydrophobicContact CG1-CG2 4.08Å; I243-V647 HydrophobicContact CG2-CG2 3.78Å; D247-V647 HydrophobicContact CB-CG1 4.44Å; G643-V647 WeakPolarHBondContact O-CG2 3.08Å; G643-V647 PolarHBondContact O-N 2.84Å; K644-V647 PolarHBondContact O-N 3.24Å; V647-S649 VanDerWaalsContact C-N 3.29Å; V647-S649 PolarHBondContact O-N 3.44Å; V647-L650 WeakPolarHBondContact O-CB 3.5Å; V647-L650 PolarHBondContact O-N 3.17Å; V647-F651 HydrophobicContact CG1-CD2 3.61Å; V647-F651 HydrophobicContact CG1-CE2 3.71Å; V647-F651 VanDerWaalsContact O-CD2 3.31Å; V647-F651 WeakPolarHBondContact O-CD2 3.25Å; V647-F651 PolarHBondContact O-N 3.22Å
648	A	92.7	Very high	80.4	Confident	4 Å²	4	50.2 Å²	50.2	3%	0.033	28%	0.283	C	S	.	.	H	α-helix	trans	-60.7	-38.8	179.1	0	0	0	0	0	111.9	K644 N645 L650 G652 M660	K644-A648 WeakPolarHBondContact O-CB 3.44Å; K644-A648 PolarHBondContact O-N 2.77Å; N645-A648 PolarHBondContact O-N 2.98Å; A648-L650 VanDerWaalsContact C-N 3.28Å; A648-L650 PolarHBondContact O-N 3.2Å; A648-G652 WeakPolarHBondContact O-CA 3.48Å; A648-G652 PolarHBondContact O-N 3.31Å; A648-M660 HydrophobicContact CB-CG 3.96Å
649	S	92.4	Very high	78.5	Confident	35 Å²	35	53.8 Å²	53.8	25%	0.245	32%	0.319	C	S	.	.	H	α-helix	trans	-69.5	-25.3	177	74.2	0	0	0	0	112.9	R365 N645 M646 V647	R365-S649 WeakPolarHBondContact CD-OG 3.49Å; R365-S649 PolarHBondContact NE-OG 2.84Å; R365-S649 VanDerWaalsContact NH2-C 3.35Å; R365-S649 PolarHBondContact NH2-O 3.31Å; N645-S649 WeakPolarHBondContact O-CB 3.29Å; N645-S649 PolarHBondContact O-N 3.38Å; N645-S649 PolarHBondContact O-OG 2.81Å; N645-S649 VanDerWaalsContact O-OG 3.14Å; M646-S649 PolarHBondContact O-N 2.78Å; M646-S649 PolarHBondContact O-OG 3.11Å; V647-S649 VanDerWaalsContact C-N 3.29Å; V647-S649 PolarHBondContact O-N 3.44Å
650	L	88.7	Confident	77	Confident	51 Å²	51	57.4 Å²	57.4	27%	0.267	34%	0.338	S	S	.	.	H	α-helix	trans	-76.4	-47.3	175.6	-166.2	79.1	0	0	0	111	Y227 D364 R365 M646 V647 A648	Y227-L650 VanDerWaalsContact OH-CD2 3.25Å; Y227-L650 WeakPolarHBondContact OH-CD2 3.37Å; D364-L650 HydrophobicContact CB-CD1 3.65Å; R365-L650 HydrophobicContact CG-CD1 4.31Å; M646-L650 PolarHBondContact O-N 2.97Å; M646-L650 VanDerWaalsContact O-N 3.15Å; V647-L650 WeakPolarHBondContact O-CB 3.5Å; V647-L650 PolarHBondContact O-N 3.17Å; A648-L650 VanDerWaalsContact C-N 3.28Å; A648-L650 PolarHBondContact O-N 3.2Å
651	F	84.2	Confident	76	Confident	68 Å²	68	60.9 Å²	60.9	30%	0.298	36%	0.362	S	S	.	.	H	α-helix	trans	-87.7	-13.9	-177.1	-64.9	-65.9	0	0	0	114.5	D247 V647 N653 N654	D247-F651 HydrophobicContact CB-CE2 4.35Å; V647-F651 HydrophobicContact CG1-CD2 3.61Å; V647-F651 HydrophobicContact CG1-CE2 3.71Å; V647-F651 VanDerWaalsContact O-CD2 3.31Å; V647-F651 WeakPolarHBondContact O-CD2 3.25Å; V647-F651 PolarHBondContact O-N 3.22Å; F651-N653 PolarHBondContact O-N 2.7Å; F651-N654 CarbonylContact O-C 3.56Å; F651-N654 WeakPolarHBondContact O-CA 3.4Å; F651-N654 PolarHBondContact O-N 2.8Å
652	G	65.8	Low	75.3	Confident	25 Å²	25	62.5 Å²	62.5	26%	0.258	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-12.9	-169.8	0	0	0	0	0	116.3	A648 N654 K655	A648-G652 WeakPolarHBondContact O-CA 3.48Å; A648-G652 PolarHBondContact O-N 3.31Å; G652-N654 VanDerWaalsContact C-N 3.35Å; G652-K655 WeakPolarHBondContact O-CG 3.26Å
653	N	51.9	Low	74.9	Confident	157 Å²	157	65 Å²	65	84%	0.84	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-21.7	169.4	-72.2	-11.3	0	0	0	112.8	F651	F651-N653 PolarHBondContact O-N 2.7Å
654	N	47.8	Very low	74.5	Confident	111 Å²	111	68.6 Å²	68.6	59%	0.594	41%	0.409	S	S	*	.			trans	-111.8	57.1	178.8	-69.1	-13.8	0	0	0	110.3	F651 G652 S656	F651-N654 CarbonylContact O-C 3.56Å; F651-N654 WeakPolarHBondContact O-CA 3.4Å; F651-N654 PolarHBondContact O-N 2.8Å; G652-N654 VanDerWaalsContact C-N 3.35Å; N654-S656 PolarHBondContact O-N 2.95Å
655	K	46.9	Very low	74.2	Confident	178 Å²	178	64.5 Å²	64.5	77%	0.774	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-7	-178.5	-71.3	-170.1	176.3	178.9	0	115.7	G652	G652-K655 WeakPolarHBondContact O-CG 3.26Å
656	S	47.7	Very low	73.7	Confident	120 Å²	120	70.6 Å²	70.6	84%	0.839	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-17.5	-173.8	58.1	0	0	0	0	115.6	N654	N654-S656 PolarHBondContact O-N 2.95Å
657	S	47.8	Very low	73.2	Confident	93 Å²	93	73.1 Å²	73.1	65%	0.65	43%	0.431	S	S	*	.	S	Bend	trans	-110.6	-27.4	-170.9	57.7	0	0	0	0	116.9
658	T	52.9	Low	73	Confident	74 Å²	74	73.3 Å²	73.3	45%	0.454	43%	0.432	S	S	.	.	S	Bend	trans	-122	-9.4	-171.4	56.6	0	0	0	0	115.7	M660	T658-M660 PolarHBondContact O-N 2.91Å
659	G	56.6	Low	72.8	Confident	74 Å²	74	73.7 Å²	73.7	76%	0.763	43%	0.434	S	S	*	.			trans	58.9	9.1	-177.6	0	0	0	0	0	114.6	S661	G659-S661 PolarHBondContact O-N 2.87Å
660	M	67.1	Low	72.7	Confident	77 Å²	77	72.4 Å²	72.4	38%	0.379	43%	0.425	S	S	.	.			trans	-79.2	113.8	-172.9	-158.4	76.9	71.8	0	0	109.5	A648 T658	A648-M660 HydrophobicContact CB-CG 3.96Å; T658-M660 PolarHBondContact O-N 2.91Å
661	S	76.4	Confident	72.7	Confident	99 Å²	99	71.1 Å²	71.1	69%	0.692	42%	0.419	S	S	*	.			trans	-104.4	142	172.4	-175.3	0	0	0	0	110	G659 S663	G659-S661 PolarHBondContact O-N 2.87Å; S661-S663 PolarHBondContact O-N 2.98Å
662	S	82.6	Confident	73.1	Confident	53 Å²	53	72.9 Å²	72.9	37%	0.371	42%	0.423	S	S	.	.			trans	-56.5	138.3	166.3	-166.2	0	0	0	0	109.1	E602 N645	E602-S662 WeakPolarHBondContact CG-OG 3.34Å; N645-S662 WeakPolarHBondContact OD1-CA 3.36Å; N645-S662 PolarHBondContact OD1-OG 3.38Å
663	S	88.1	Confident	74.3	Confident	53 Å²	53	71.8 Å²	71.8	37%	0.371	41%	0.411	S	S	.	.			trans	-122.8	149.2	178.7	58.7	0	0	0	0	110.8	L641 N645 S661	L641-S663 WeakPolarHBondContact CD1-OG 3.49Å; N645-S663 PolarHBondContact ND2-O 3.48Å; N645-S663 PolarHBondContact OD1-N 3.41Å; N645-S663 PolarHBondContact OD1-O 2.89Å; S661-S663 PolarHBondContact O-N 2.98Å
664	H	90.1	Very high	76.1	Confident	75 Å²	75	65.7 Å²	65.7	35%	0.347	38%	0.38	S	S	.	.			trans	-92.1	153.8	179.1	64.7	78.5	0	0	0	110.8	A601 Q666	A601-H664 HydrophobicContact CB-CB 3.7Å; A601-H664 CarbonylContact O-C 3.59Å; A601-H664 WeakPolarHBondContact O-CA 3.42Å; H664-Q666 VanDerWaalsContact CE1-CD 3.4Å; H664-Q666 WeakPolarHBondContact CE1-CG 3.42Å; H664-Q666 PolarHBondContact CE1-NE2 3.28Å; H664-Q666 VanDerWaalsContact ND1-CG 3.3Å; H664-Q666 WeakPolarHBondContact ND1-CG 3.28Å; H664-Q666 PolarHBondContact O-N 2.65Å
665	Y	88.9	Confident	78	Confident	5 Å²	5	60.4 Å²	60.4	2%	0.02	35%	0.352	C	S	.	.			trans	-64.9	127	178.7	-166.4	-96.7	0	0	0	110.3	A601 Y618 P621 F634 E637 A638 L641 H667 S669	A601-Y665 WeakPolarHBondContact O-CB 3.45Å; A601-Y665 PolarHBondContact O-N 3.35Å; Y618-Y665 HydrophobicContact CD2-CD1 4.01Å; Y618-Y665 HydrophobicContact CD2-CG 4.34Å; Y618-Y665 AromaticContact CE2-CD1 3.32Å; Y618-Y665 HydrophobicContact CE2-CD1 3.32Å; Y618-Y665 AromaticContact CE2-CE1 3.73Å; Y618-Y665 HydrophobicContact CE2-CE1 3.73Å; Y618-Y665 HydrophobicContact CE2-CG 4.08Å; Y618-Y665 AromaticContact CZ-CD1 3.88Å; Y618-Y665 AromaticContact CZ-CE1 3.77Å; P621-Y665 WeakPolarHBondContact CD-O 2.88Å; P621-Y665 WeakPolarHBondContact CG-O 3.35Å; F634-Y665 HydrophobicContact CD2-CE1 4.36Å; F634-Y665 HydrophobicContact CD2-CE2 4.43Å; F634-Y665 AromaticContact CD2-CZ 3.82Å; F634-Y665 WeakPolarHBondContact CD2-OH 3.4Å; F634-Y665 HydrophobicContact CE2-CE1 4.15Å; F634-Y665 HydrophobicContact CE2-CE2 4.23Å; F634-Y665 AromaticContact CE2-CZ 3.85Å; E637-Y665 HydrophobicContact CB-CE2 4.19Å; A638-Y665 HydrophobicContact CB-CE2 4.3Å; L641-Y665 VanDerWaalsContact CD2-CA 3.45Å; L641-Y665 HydrophobicContact CD2-CD2 3.61Å; L641-Y665 HydrophobicContact CD2-CG 4.09Å; Y665-H667 HydrophobicContact CE1-CB 4.5Å; Y665-H667 WeakPolarHBondContact CE1-O 3.41Å; Y665-H667 HydrophobicContact CE2-CB 4.36Å; Y665-H667 PolarHBondContact OH-O 2.69Å; Y665-S669 PolarHBondContact OH-OG 3.01Å
666	Q	86.7	Confident	79.5	Confident	128 Å²	128	52.6 Å²	52.6	60%	0.598	32%	0.322	S	S	*	.			trans	-129	-19	179.5	-69.1	-179.6	-49.4	0	0	112.6	V622 H664	V622-Q666 WeakPolarHBondContact CG2-O 3.46Å; H664-Q666 VanDerWaalsContact CE1-CD 3.4Å; H664-Q666 WeakPolarHBondContact CE1-CG 3.42Å; H664-Q666 PolarHBondContact CE1-NE2 3.28Å; H664-Q666 VanDerWaalsContact ND1-CG 3.3Å; H664-Q666 WeakPolarHBondContact ND1-CG 3.28Å; H664-Q666 PolarHBondContact O-N 2.65Å
667	H	87.3	Confident	80.9	Confident	54 Å²	54	55 Å²	55	25%	0.25	32%	0.32	C	S	.	.			trans	-66.5	144.2	-177.8	-171.5	80.7	0	0	0	110.6	Y665	Y665-H667 HydrophobicContact CE1-CB 4.5Å; Y665-H667 WeakPolarHBondContact CE1-O 3.41Å; Y665-H667 HydrophobicContact CE2-CB 4.36Å; Y665-H667 PolarHBondContact OH-O 2.69Å
668	Q	90.8	Very high	82.5	Confident	5 Å²	5	55 Å²	55	2%	0.023	31%	0.31	C	S	.	.			trans	-111.6	104.3	172	-64.8	-63.9	-67.1	0	0	108.5	D620 V622 V623 V684 R780	D620-Q668 PolarHBondContact OD1-NE2 3.41Å; D620-Q668 PolarHBondContact OD2-NE2 3.48Å; D620-Q668 PolarHBondContact OD2-OE1 2.71Å; V622-Q668 HydrophobicContact CB-CG 4.29Å; V622-Q668 HydrophobicContact CG1-CG 3.83Å; V623-Q668 VanDerWaalsContact CG2-OE1 3.28Å; Q668-V684 HydrophobicContact CB-CG1 3.37Å; Q668-V684 HydrophobicContact CG-CG1 4.44Å; Q668-R780 HydrophobicContact CB-CG 4.2Å; Q668-R780 PolarHBondContact O-NE 3.18Å
669	S	87.6	Confident	84.3	Confident	12 Å²	12	51.9 Å²	51.9	8%	0.084	29%	0.29	C	S	.	.			trans	-63.6	138.6	-177.8	-51.5	0	0	0	0	110.3	F634 Y665	F634-S669 VanDerWaalsContact CA-OG 3.23Å; F634-S669 WeakPolarHBondContact CA-OG 3.38Å; F634-S669 WeakPolarHBondContact CB-OG 3.35Å; Y665-S669 PolarHBondContact OH-OG 3.01Å
670	S	90.4	Very high	86	Confident	9 Å²	9	50 Å²	50	6%	0.063	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	151.7	174.4	53.2	0	0	0	0	111.2	N633 A683 R780	N633-S670 PolarHBondContact ND2-OG 3.43Å; S670-A683 CarbonylContact C-O 3.52Å; S670-A683 WeakPolarHBondContact CA-O 3.35Å; S670-R780 PolarHBondContact OG-NH2 2.79Å
671	I	90	Very high	87.2	Confident	24 Å²	24	46.4 Å²	46.4	12%	0.123	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	142.3	163.9	-170	-174.2	0	0	0	107.8	F430 H631 D682 A683 I687	F430-I671 HydrophobicContact CD1-CD1 4.46Å; F430-I671 HydrophobicContact CD2-CD1 3.66Å; F430-I671 HydrophobicContact CE1-CD1 4.44Å; F430-I671 HydrophobicContact CE2-CD1 3.55Å; F430-I671 HydrophobicContact CG-CD1 4.11Å; F430-I671 HydrophobicContact CZ-CD1 3.95Å; H631-I671 VanDerWaalsContact CE1-CD1 3.42Å; H631-I671 WeakPolarHBondContact CE1-CD1 3.45Å; I671-D682 CarbonylContact O-C 3.58Å; I671-D682 WeakPolarHBondContact O-CA 3.48Å; I671-A683 HydrophobicContact CG2-CB 3.92Å; I671-A683 PolarHBondContact N-O 3.22Å; I671-A683 PolarHBondContact O-N 2.94Å; I671-I687 HydrophobicContact CG2-CD1 3.77Å
672	W	91.1	Very high	88.1	Confident	105 Å²	105	42.9 Å²	42.9	40%	0.398	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	155.5	172.9	67.4	99.3	0	0	0	110.8	K287 W681 D682	K287-W672 WeakPolarHBondContact CE-O 3.41Å; K287-W672 PolarHBondContact NZ-O 2.95Å; W672-W681 CarbonylContact C-O 3.59Å; W672-W681 WeakPolarHBondContact CA-O 3.25Å; W672-D682 WeakPolarHBondContact CB-OD1 3.44Å
673	S	91.4	Very high	88.6	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.007	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	150.7	171.2	-170.6	0	0	0	0	110.5	E434 S680 W681	E434-S673 VanDerWaalsContact CD-OG 3.31Å; E434-S673 VanDerWaalsContact CG-OG 3.29Å; E434-S673 WeakPolarHBondContact CG-OG 3.23Å; E434-S673 VanDerWaalsContact OE1-CB 3.22Å; E434-S673 WeakPolarHBondContact OE1-CB 3.23Å; E434-S673 PolarHBondContact OE1-OG 3.4Å; S673-S680 CarbonylContact O-C 3.46Å; S673-S680 VanDerWaalsContact O-CA 3.26Å; S673-S680 WeakPolarHBondContact O-CA 3.38Å; S673-W681 VanDerWaalsContact CB-CE2 3.47Å; S673-W681 PolarHBondContact N-O 2.89Å; S673-W681 PolarHBondContact O-N 3.39Å
674	T	89.4	Confident	89	Confident	30 Å²	30	38 Å²	38	18%	0.184	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	118.7	178.4	55	0	0	0	0	108.6	E288	E288-T674 WeakPolarHBondContact OE1-CB 3.42Å; E288-T674 WeakPolarHBondContact OE1-CG2 3.48Å; E288-T674 PolarHBondContact OE1-OG1 2.54Å
675	L	89.1	Confident	89.2	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	97.6	173.5	-58.3	-175.3	0	0	0	108.1	E434 V437 V485 F488 I679 W681	E434-L675 HydrophobicContact CB-CD2 4.39Å; E434-L675 HydrophobicContact CG-CD2 3.92Å; V437-L675 HydrophobicContact CG2-CD2 4.38Å; V485-L675 HydrophobicContact CG1-CD1 3.62Å; V485-L675 HydrophobicContact CG2-CD1 4.46Å; F488-L675 HydrophobicContact CD1-CB 4.22Å; F488-L675 HydrophobicContact CE1-CB 3.77Å; F488-L675 WeakPolarHBondContact CE1-O 3.46Å; F488-L675 VanDerWaalsContact CZ-O 3.23Å; F488-L675 WeakPolarHBondContact CZ-O 3.33Å; L675-I679 HydrophobicContact CB-CB 4.25Å; L675-I679 PolarHBondContact N-O 3.26Å; L675-I679 PolarHBondContact O-N 3.02Å; L675-W681 HydrophobicContact CD1-CH2 3.72Å; L675-W681 HydrophobicContact CD1-CZ3 3.95Å; L675-W681 HydrophobicContact CG-CH2 3.95Å; L675-W681 HydrophobicContact CG-CZ3 4.1Å
676	G	78.6	Confident	89.4	Confident	14 Å²	14	36 Å²	36	14%	0.144	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	-143.3	-175.2	0	0	0	0	0	112.3
677	Q	76.7	Confident	89.7	Confident	170 Å²	170	31.5 Å²	31.5	79%	0.794	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-9.1	172.8	-65.9	-175.6	-17.7	0	0	111.9
678	E	81.5	Confident	89.9	Confident	93 Å²	93	30.2 Å²	30.2	44%	0.435	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-29	-164.8	-55.2	93.3	144.5	0	0	113.1	F488 K492 N759	F488-E678 HydrophobicContact CD2-CB 4.44Å; F488-E678 HydrophobicContact CE2-CB 3.84Å; F488-E678 HydrophobicContact CE2-CG 4.1Å; F488-E678 WeakPolarHBondContact CE2-OE2 3.39Å; F488-E678 WeakPolarHBondContact CZ-OE2 3.4Å; K492-E678 IonicContact NZ-OE1 3.87Å; K492-E678 PolarHBondContact NZ-OE1 2.9Å; K492-E678 IonicContact NZ-OE2 3.92Å; E678-N759 PolarHBondContact O-ND2 3.18Å
679	I	90.1	Very high	90	Very high	8 Å²	8	31.2 Å²	31.2	4%	0.041	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.3	179.4	-57.4	-178.6	0	0	0	109.4	F488 L675 W681 W758 N759	F488-I679 HydrophobicContact CB-CD1 3.51Å; F488-I679 HydrophobicContact CD1-CD1 4.06Å; F488-I679 HydrophobicContact CD2-CD1 4Å; F488-I679 HydrophobicContact CD2-CG1 4.32Å; F488-I679 HydrophobicContact CG-CD1 3.58Å; F488-I679 HydrophobicContact CG-CG1 4.31Å; L675-I679 HydrophobicContact CB-CB 4.25Å; L675-I679 PolarHBondContact N-O 3.26Å; L675-I679 PolarHBondContact O-N 3.02Å; I679-W681 HydrophobicContact CG2-CE3 3.63Å; I679-W681 HydrophobicContact CG2-CZ3 3.44Å; I679-W681 VanDerWaalsContact CG2-CZ3 3.44Å; I679-W758 HydrophobicContact CD1-CH2 4.5Å; I679-W758 HydrophobicContact CD1-CZ2 4.41Å; I679-W758 HydrophobicContact CG1-CZ2 4.45Å; I679-W758 HydrophobicContact CG2-CH2 3.4Å; I679-W758 HydrophobicContact CG2-CZ2 3.65Å; I679-W758 HydrophobicContact CG2-CZ3 4Å; I679-N759 VanDerWaalsContact CA-OD1 3.28Å; I679-N759 WeakPolarHBondContact CA-OD1 3.45Å
680	S	91.7	Very high	90.1	Very high	36 Å²	36	38.2 Å²	38.2	25%	0.252	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	156.5	167.7	68	0	0	0	0	109.9	S673 N759	S673-S680 CarbonylContact O-C 3.46Å; S673-S680 VanDerWaalsContact O-CA 3.26Å; S673-S680 WeakPolarHBondContact O-CA 3.38Å; S680-N759 PolarHBondContact N-OD1 3.48Å; S680-N759 WeakPolarHBondContact O-CA 3.32Å; S680-N759 PolarHBondContact O-N 3.49Å; S680-N759 PolarHBondContact O-OD1 3.45Å
681	W	93.4	Very high	90.1	Very high	1 Å²	1	41 Å²	41	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	151.6	165.6	57.7	82.9	0	0	0	110.8	F430 M473 V485 W672 S673 L675 I679 L756 L757 W758	F430-W681 AromaticContact CD1-CZ2 3.67Å; F430-W681 HydrophobicContact CD1-CZ2 3.67Å; F430-W681 AromaticContact CD1-NE1 3.75Å; F430-W681 AromaticContact CE1-CE2 3.76Å; F430-W681 AromaticContact CE1-CZ2 3.77Å; F430-W681 HydrophobicContact CE1-CZ2 3.77Å; F430-W681 AromaticContact CE1-NE1 3.21Å; M473-W681 HydrophobicContact CG-CH2 4.3Å; M473-W681 HydrophobicContact CG-CZ2 4.42Å; M473-W681 HydrophobicContact SD-CH2 4.36Å; M473-W681 HydrophobicContact SD-CZ2 4.02Å; V485-W681 HydrophobicContact CG2-CH2 4.39Å; V485-W681 HydrophobicContact CG2-CZ3 4.18Å; W672-W681 CarbonylContact C-O 3.59Å; W672-W681 WeakPolarHBondContact CA-O 3.25Å; S673-W681 VanDerWaalsContact CB-CE2 3.47Å; S673-W681 PolarHBondContact N-O 2.89Å; S673-W681 PolarHBondContact O-N 3.39Å; L675-W681 HydrophobicContact CD1-CH2 3.72Å; L675-W681 HydrophobicContact CD1-CZ3 3.95Å; L675-W681 HydrophobicContact CG-CH2 3.95Å; L675-W681 HydrophobicContact CG-CZ3 4.1Å; I679-W681 HydrophobicContact CG2-CE3 3.63Å; I679-W681 HydrophobicContact CG2-CZ3 3.44Å; I679-W681 VanDerWaalsContact CG2-CZ3 3.44Å; W681-L756 HydrophobicContact CB-CD1 4.42Å; W681-L756 HydrophobicContact CB-CD2 4.04Å; W681-L756 HydrophobicContact CB-CG 4.18Å; W681-L756 HydrophobicContact CG-CD1 4.3Å; W681-L757 CarbonylContact C-O 3.54Å; W681-L757 WeakPolarHBondContact CA-O 3.34Å; W681-L757 VanDerWaalsContact CB-O 3.26Å; W681-L757 WeakPolarHBondContact CB-O 3.5Å; W681-W758 HydrophobicContact CB-CE3 4.2Å; W681-W758 HydrophobicContact CD2-CZ3 4.23Å; W681-W758 HydrophobicContact CE3-CE3 4.05Å; W681-W758 HydrophobicContact CE3-CH2 4.18Å; W681-W758 AromaticContact CE3-CZ3 3.5Å; W681-W758 HydrophobicContact CE3-CZ3 3.5Å; W681-W758 VanDerWaalsContact CE3-CZ3 3.5Å; W681-W758 HydrophobicContact CZ3-CH2 4.32Å; W681-W758 AromaticContact CZ3-CZ3 3.97Å; W681-W758 HydrophobicContact CZ3-CZ3 3.97Å
682	D	93.9	Very high	90.3	Very high	24 Å²	24	40.5 Å²	40.5	13%	0.128	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143.8	169.3	-60.3	-77	0	0	0	108.6	I671 W672 L756 L757 L776	I671-D682 CarbonylContact O-C 3.58Å; I671-D682 WeakPolarHBondContact O-CA 3.48Å; W672-D682 WeakPolarHBondContact CB-OD1 3.44Å; D682-L756 CarbonylContact O-C 3.51Å; D682-L756 WeakPolarHBondContact O-CA 3.39Å; D682-L757 HydrophobicContact CB-CB 4.43Å; D682-L757 HydrophobicContact CB-CD1 4.46Å; D682-L757 PolarHBondContact N-O 3.46Å; D682-L757 PolarHBondContact O-N 3.15Å; D682-L776 HydrophobicContact CB-CD1 4.29Å; D682-L776 HydrophobicContact CB-CD2 3.81Å; D682-L776 HydrophobicContact CB-CG 4.39Å
683	A	94.7	Very high	90.4	Very high	2 Å²	2	38.7 Å²	38.7	2%	0.017	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	150.4	-178.7	0	0	0	0	0	112.5	S670 I671 I687 I755 L756	S670-A683 CarbonylContact C-O 3.52Å; S670-A683 WeakPolarHBondContact CA-O 3.35Å; I671-A683 HydrophobicContact CG2-CB 3.92Å; I671-A683 PolarHBondContact N-O 3.22Å; I671-A683 PolarHBondContact O-N 2.94Å; A683-I687 HydrophobicContact CB-CD1 3.87Å; A683-I687 HydrophobicContact CB-CG2 3.96Å; A683-I755 CarbonylContact C-O 3.41Å; A683-I755 VanDerWaalsContact CA-O 3.26Å; A683-I755 WeakPolarHBondContact CA-O 3.35Å; A683-L756 HydrophobicContact CB-CB 4Å; A683-L756 HydrophobicContact CB-CD1 4.17Å; A683-L756 HydrophobicContact CB-CG 4.11Å
684	V	94.9	Very high	90.4	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144.3	178	-173.1	0	0	0	0	108.8	Q668 G754 I755 L776 A779 R780 L783	Q668-V684 HydrophobicContact CB-CG1 3.37Å; Q668-V684 HydrophobicContact CG-CG1 4.44Å; V684-G754 CarbonylContact O-C 3.55Å; V684-G754 VanDerWaalsContact O-CA 3.27Å; V684-G754 WeakPolarHBondContact O-CA 3.49Å; V684-I755 PolarHBondContact N-O 3.25Å; V684-I755 PolarHBondContact O-N 3.09Å; V684-L776 HydrophobicContact CG2-CD2 3.54Å; V684-A779 HydrophobicContact CG2-CB 4.43Å; V684-R780 HydrophobicContact CG1-CG 3.92Å; V684-L783 HydrophobicContact CB-CD1 4.07Å; V684-L783 HydrophobicContact CG1-CD1 3.64Å
685	G	94.4	Very high	90.5	Very high	8 Å²	8	44 Å²	44	8%	0.082	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87.2	-148.2	178.1	0	0	0	0	0	112.8	R627 V753	R627-G685 VanDerWaalsContact NH1-C 3.32Å; R627-G685 PolarHBondContact NH1-O 3.04Å; R627-G685 PolarHBondContact NH2-O 3.44Å; G685-V753 CarbonylContact C-O 3.53Å; G685-V753 WeakPolarHBondContact CA-O 3.18Å
686	L	93.6	Very high	90.6	Very high	31 Å²	31	45.9 Å²	45.9	16%	0.162	23%	0.233	C	C	.	.			trans	-93.9	123.2	-179.9	-64.7	177.3	0	0	0	111	Y116 V623 R627 L692 Y744 V753 G754	Y116-L686 HydrophobicContact CE1-CD1 4.31Å; V623-L686 HydrophobicContact CG1-CD1 3.59Å; V623-L686 HydrophobicContact CG1-CG 3.87Å; R627-L686 HydrophobicContact CG-CD2 4.43Å; R627-L686 VanDerWaalsContact NH1-CD2 3.32Å; L686-L692 HydrophobicContact CB-CD1 3.77Å; L686-L692 WeakPolarHBondContact O-CD1 3.42Å; L686-Y744 WeakPolarHBondContact O-CB 3.21Å; L686-V753 HydrophobicContact CB-CG2 4.34Å; L686-V753 HydrophobicContact CD1-CB 4.34Å; L686-V753 HydrophobicContact CD1-CG2 4.43Å; L686-V753 PolarHBondContact N-O 2.93Å; L686-G754 WeakPolarHBondContact O-CA 3.18Å
687	I	92.6	Very high	91.1	Very high	32 Å²	32	47.7 Å²	47.7	16%	0.164	24%	0.237	C	C	.	.			trans	-122.7	78.1	180	53.5	175.9	0	0	0	110.8	F430 V476 I671 A683 Y744	F430-I687 HydrophobicContact CE2-CD1 4.3Å; F430-I687 HydrophobicContact CZ-CD1 3.75Å; V476-I687 HydrophobicContact CG1-CB 4.35Å; V476-I687 HydrophobicContact CG1-CD1 3.99Å; V476-I687 HydrophobicContact CG1-CG1 4.29Å; I671-I687 HydrophobicContact CG2-CD1 3.77Å; A683-I687 HydrophobicContact CB-CD1 3.87Å; A683-I687 HydrophobicContact CB-CG2 3.96Å; I687-Y744 HydrophobicContact CB-CE1 4.41Å; I687-Y744 HydrophobicContact CB-CE2 4.36Å; I687-Y744 HydrophobicContact CG2-CD2 4.02Å; I687-Y744 HydrophobicContact CG2-CE2 3.74Å
688	D	92.4	Very high	91.6	Very high	27 Å²	27	41.7 Å²	41.7	14%	0.144	21%	0.208	C	C	.	.			trans	-131.9	99	174.4	-171.1	-28.9	0	0	0	109.6	S475 R690 L691 L692	S475-D688 WeakPolarHBondContact O-CA 3.33Å; D688-R690 PolarHBondContact O-N 3.38Å; D688-R690 WeakPolarHBondContact OD1-CB 3.42Å; D688-R690 WeakPolarHBondContact OD1-CG 3.45Å; D688-R690 IonicContact OD1-CZ 3.76Å; D688-R690 PolarHBondContact OD1-N 3.5Å; D688-R690 IonicContact OD1-NE 3.41Å; D688-R690 PolarHBondContact OD1-NE 3.38Å; D688-R690 IonicContact OD1-NH2 3.76Å; D688-R690 IonicContact OD2-CZ 2.81Å; D688-R690 IonicContact OD2-NE 3.58Å; D688-R690 IonicContact OD2-NH2 3.78Å; D688-R690 PolarHBondContact OD2-NH2 2.85Å; D688-L691 PolarHBondContact O-N 3.25Å; D688-L691 PolarHBondContact OD1-N 3.32Å; D688-L692 WeakPolarHBondContact O-CB 3.32Å; D688-L692 PolarHBondContact O-N 2.98Å
689	S	92.1	Very high	91.7	Very high	26 Å²	26	37.7 Å²	37.7	18%	0.182	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-8.5	-177.7	61.2	0	0	0	0	113.8	G474 S475 L477	G474-S689 PolarHBondContact O-OG 2.81Å; S475-S689 PolarHBondContact O-N 2.75Å; L477-S689 VanDerWaalsContact O-CB 3.26Å; L477-S689 WeakPolarHBondContact O-CB 3.32Å; L477-S689 PolarHBondContact O-OG 2.9Å
690	R	90	Very high	90.7	Very high	159 Å²	159	41.7 Å²	41.7	60%	0.6	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-28.9	176.9	-49.3	168.9	-65.1	178.8	3.8	112.1	D688	D688-R690 PolarHBondContact O-N 3.38Å; D688-R690 WeakPolarHBondContact OD1-CB 3.42Å; D688-R690 WeakPolarHBondContact OD1-CG 3.45Å; D688-R690 IonicContact OD1-CZ 3.76Å; D688-R690 PolarHBondContact OD1-N 3.5Å; D688-R690 IonicContact OD1-NE 3.41Å; D688-R690 PolarHBondContact OD1-NE 3.38Å; D688-R690 IonicContact OD1-NH2 3.76Å; D688-R690 IonicContact OD2-CZ 2.81Å; D688-R690 IonicContact OD2-NE 3.58Å; D688-R690 IonicContact OD2-NH2 3.78Å; D688-R690 PolarHBondContact OD2-NH2 2.85Å
691	L	89.6	Confident	89.1	Confident	69 Å²	69	42.7 Å²	42.7	36%	0.361	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-23.2	-173.8	-60.6	-178.7	0	0	0	112.9	D688	D688-L691 PolarHBondContact O-N 3.25Å; D688-L691 PolarHBondContact OD1-N 3.32Å
692	L	94.2	Very high	86.4	Confident	12 Å²	12	47 Å²	47	6%	0.063	26%	0.262	C	S	.	.	S	Bend	trans	-110.8	147	-175.3	-59	171.7	0	0	0	111	L686 D688 Y744 L745 T746 V753	L686-L692 HydrophobicContact CB-CD1 3.77Å; L686-L692 WeakPolarHBondContact O-CD1 3.42Å; D688-L692 WeakPolarHBondContact O-CB 3.32Å; D688-L692 PolarHBondContact O-N 2.98Å; L692-Y744 HydrophobicContact CB-CD1 4.19Å; L692-Y744 HydrophobicContact CD1-CD1 4.22Å; L692-Y744 HydrophobicContact CD1-CG 4.45Å; L692-L745 CarbonylContact C-O 3.54Å; L692-L745 WeakPolarHBondContact CA-O 3.35Å; L692-L745 WeakPolarHBondContact CB-O 3.34Å; L692-T746 HydrophobicContact CD2-CG2 4.4Å; L692-V753 HydrophobicContact CD1-CG2 3.92Å; L692-V753 HydrophobicContact CD2-CG2 3.86Å
693	L	93.2	Very high	83.6	Confident	67 Å²	67	51.4 Å²	51.4	35%	0.351	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	131.4	170.3	-61.9	174.8	0	0	0	108.6	Y744 L745 P747 L791	L693-Y744 WeakPolarHBondContact O-CA 3.5Å; L693-L745 HydrophobicContact CB-CB 4.25Å; L693-L745 PolarHBondContact N-O 3.31Å; L693-L745 PolarHBondContact O-N 3.34Å; L693-P747 HydrophobicContact CG-CB 4.29Å; L693-L791 HydrophobicContact CD1-CD1 4.29Å
694	T	93.2	Very high	80.7	Confident	34 Å²	34	57.5 Å²	57.5	21%	0.209	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	138.3	178.7	59.9	0	0	0	0	111.5	P478 F743 Y744	P478-T694 HydrophobicContact CG-CG2 4.05Å; T694-F743 VanDerWaalsContact CA-O 3.32Å; T694-F743 WeakPolarHBondContact CA-O 3.35Å; T694-Y744 HydrophobicContact CG2-CD1 3.69Å; T694-Y744 HydrophobicContact CG2-CE1 3.63Å; T694-Y744 HydrophobicContact CG2-CG 4.45Å
695	R	91.4	Very high	77.5	Confident	108 Å²	108	61.3 Å²	61.3	41%	0.408	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	122.7	168.2	-72.6	-68.8	-177.8	-96.1	5	108.5	F697 V742 F743 L745 L791 L807	R695-F697 HydrophobicContact CB-CE2 4.35Å; R695-V742 CarbonylContact O-C 3.5Å; R695-V742 WeakPolarHBondContact O-CA 3.48Å; R695-F743 PolarHBondContact N-O 3.36Å; R695-F743 PolarHBondContact O-N 3.16Å; R695-L745 HydrophobicContact CG-CD1 4.43Å; R695-L791 HydrophobicContact CG-CD2 4.15Å; R695-L807 HydrophobicContact CB-CD1 3.75Å; R695-L807 HydrophobicContact CG-CD1 3.82Å
696	A	89.9	Confident	74.3	Confident	40 Å²	40	68 Å²	68	33%	0.331	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.2	-175.1	0	0	0	0	0	110.5	F698 V741 V742	A696-F698 HydrophobicContact CB-CD2 4.28Å; A696-F698 HydrophobicContact CB-CE2 3.43Å; A696-F698 VanDerWaalsContact CB-CE2 3.43Å; A696-F698 HydrophobicContact CB-CZ 3.9Å; A696-V741 CarbonylContact C-O 3.59Å; A696-V741 WeakPolarHBondContact CA-O 3.41Å; A696-V742 HydrophobicContact CB-CB 4.46Å; A696-V742 HydrophobicContact CB-CG1 4.37Å; A696-V742 HydrophobicContact CB-CG2 3.9Å
697	F	89.2	Confident	71.3	Confident	52 Å²	52	73.4 Å²	73.4	23%	0.228	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.5	176.2	-62.8	-94.9	0	0	0	107.6	R695 G740 V741 F743 L807 R808 A811 L816	R695-F697 HydrophobicContact CB-CE2 4.35Å; F697-G740 CarbonylContact O-C 3.59Å; F697-G740 WeakPolarHBondContact O-CA 3.43Å; F697-V741 HydrophobicContact CB-CG1 4.13Å; F697-V741 HydrophobicContact CD2-CG1 4.49Å; F697-V741 PolarHBondContact N-O 3.15Å; F697-V741 PolarHBondContact O-N 2.88Å; F697-F743 AromaticContact CD2-CD2 3.87Å; F697-F743 HydrophobicContact CD2-CD2 3.87Å; F697-F743 AromaticContact CD2-CE2 3.65Å; F697-F743 HydrophobicContact CD2-CE2 3.65Å; F697-F743 AromaticContact CE2-CD2 3.83Å; F697-F743 HydrophobicContact CE2-CD2 3.83Å; F697-F743 AromaticContact CE2-CE2 3.82Å; F697-F743 HydrophobicContact CE2-CE2 3.82Å; F697-L807 HydrophobicContact CE2-CB 3.69Å; F697-L807 HydrophobicContact CZ-CB 3.69Å; F697-R808 HydrophobicContact CD1-CG 4.39Å; F697-R808 HydrophobicContact CE1-CB 3.8Å; F697-R808 HydrophobicContact CE1-CG 4.07Å; F697-R808 HydrophobicContact CZ-CB 4.34Å; F697-A811 HydrophobicContact CB-CB 3.88Å; F697-A811 HydrophobicContact CD1-CB 4.23Å; F697-A811 HydrophobicContact CD2-CB 3.87Å; F697-A811 HydrophobicContact CG-CB 3.72Å; F697-L816 HydrophobicContact CB-CD2 4.07Å; F697-L816 WeakPolarHBondContact O-CD2 3.32Å
698	F	88.1	Confident	68.2	Low	44 Å²	44	79.9 Å²	79.9	19%	0.193	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	144.5	-179.1	-64.6	-83.1	0	0	0	110	L481 A696 S700 L737 K739 W758	L481-F698 HydrophobicContact CD1-CE1 4.42Å; L481-F698 HydrophobicContact CD1-CZ 3.99Å; L481-F698 HydrophobicContact CD2-CE1 3.76Å; L481-F698 HydrophobicContact CD2-CZ 3.59Å; L481-F698 HydrophobicContact CG-CE1 4.48Å; L481-F698 HydrophobicContact CG-CZ 3.92Å; A696-F698 HydrophobicContact CB-CD2 4.28Å; A696-F698 HydrophobicContact CB-CE2 3.43Å; A696-F698 VanDerWaalsContact CB-CE2 3.43Å; A696-F698 HydrophobicContact CB-CZ 3.9Å; F698-S700 PolarHBondContact O-N 3.4Å; F698-L737 HydrophobicContact CD1-CB 4.29Å; F698-L737 HydrophobicContact CD1-CD2 3.81Å; F698-L737 HydrophobicContact CD2-CD2 3.51Å; F698-L737 HydrophobicContact CE1-CB 4.34Å; F698-L737 HydrophobicContact CE1-CD2 3.84Å; F698-L737 HydrophobicContact CE2-CD2 3.5Å; F698-L737 HydrophobicContact CG-CD2 3.67Å; F698-L737 HydrophobicContact CZ-CD2 3.69Å; F698-K739 CarbonylContact C-O 3.52Å; F698-K739 VanDerWaalsContact CA-O 3.27Å; F698-K739 WeakPolarHBondContact CA-O 3.43Å; F698-W758 HydrophobicContact CE1-CB 4.4Å; F698-W758 AromaticContact CE1-CD1 3.97Å; F698-W758 HydrophobicContact CE1-CG 4.23Å
699	A	82.8	Confident	65.2	Low	10 Å²	10	85.3 Å²	85.3	8%	0.083	49%	0.494	C	S	.	.			trans	-65.6	124.2	167.3	0	0	0	0	0	108.5	S701 K739 Y817	A699-S701 PolarHBondContact O-N 3.27Å; A699-K739 HydrophobicContact CB-CB 4.42Å; A699-K739 PolarHBondContact N-O 3.39Å; A699-Y817 HydrophobicContact CB-CD1 4.29Å; A699-Y817 HydrophobicContact CB-CE1 4.35Å
700	S	70.2	Confident	62.1	Low	91 Å²	91	91 Å²	91	64%	0.636	52%	0.523	S	S	*	.			trans	-70.1	123.3	171.6	-176.9	0	0	0	0	108.4	F698 A702	F698-S700 PolarHBondContact O-N 3.4Å; S700-A702 VanDerWaalsContact C-N 3.31Å; S700-A702 PolarHBondContact O-N 3.31Å
701	S	57	Low	59.1	Low	58 Å²	58	90.4 Å²	90.4	41%	0.406	53%	0.53	S	S	.	.			trans	-69.5	90.7	167.8	66.3	0	0	0	0	108.7	A699 T703 G735	A699-S701 PolarHBondContact O-N 3.27Å; S701-T703 PolarHBondContact O-N 2.96Å; S701-G735 PolarHBondContact OG-O 3Å; S701-G735 VanDerWaalsContact OG-O 3.12Å
702	A	37.4	Very low	56	Low	90 Å²	90	95.1 Å²	95.1	74%	0.744	55%	0.55	S	S	*	.			trans	-81.2	89	169.6	0	0	0	0	0	109.1	S700	S700-A702 VanDerWaalsContact C-N 3.31Å; S700-A702 PolarHBondContact O-N 3.31Å
703	T	35.3	Very low	52.7	Low	118 Å²	118	102.4 Å²	102.4	72%	0.724	58%	0.583	S	S	*	*			trans	-163.2	99.4	161.2	38.9	0	0	0	0	107.2	S701	S701-T703 PolarHBondContact O-N 2.96Å
704	T	33	Very low	49.4	Very low	130 Å²	130	108.2 Å²	108.2	80%	0.798	61%	0.606	S	S	*	*				-168.8	91.5	90.1	27.5	0	0	0	0	106.5	D706	T704-D706 PolarHBondContact O-N 3.13Å
705	G	27.4	Very low	46.1	Very low	82 Å²	82	111.2 Å²	111.2	85%	0.845	63%	0.628	S	S	*	*			trans	-76.6	76.8	164.9	0	0	0	0	0	108.7
706	D	28.4	Very low	43	Very low	147 Å²	147	111.3 Å²	111.3	79%	0.786	65%	0.645	S	S	*	*			trans	-101.6	88.2	154.5	-83.3	-20.6	0	0	0	105.2	T704	T704-D706 PolarHBondContact O-N 3.13Å
707	D	30.7	Very low	40	Very low	146 Å²	146	119.6 Å²	119.6	78%	0.781	67%	0.674	S	S	*	*			trans	-168.4	3.2	157.7	-102	-10.9	0	0	0	113.9	N709	D707-N709 PolarHBondContact O-N 2.89Å
708	D	27.1	Very low	37	Very low	168 Å²	168	126.2 Å²	126.2	90%	0.898	71%	0.705	S	S	*	*	S	Bend	trans	-92.1	89.5	163.6	-77.5	-24.8	0	0	0	109.2	D710	D708-D710 PolarHBondContact O-N 3.15Å
709	N	28.5	Very low	34	Very low	140 Å²	140	133.7 Å²	133.7	75%	0.749	74%	0.738	S	S	*	*			trans	-32.3	121.1	161.9	-61	-71.4	0	0	0	111.4	D707	D707-N709 PolarHBondContact O-N 2.89Å
710	D	27.1	Very low	31.2	Very low	147 Å²	147	141.3 Å²	141.3	79%	0.786	78%	0.777	S	S	*	*			trans	-179.8	120.7	132	-88.2	-24	0	0	0	113	D708	D708-D710 PolarHBondContact O-N 3.15Å
711	I	27.1	Very low	29.1	Very low	145 Å²	145	142.7 Å²	142.7	74%	0.744	79%	0.787	S	S	*	*			trans	77.8	95.4	143.3	-52.3	165.9	0	0	0	118.7
712	E	24.5	Very low	27.5	Very low	168 Å²	168	146.9 Å²	146.9	79%	0.785	81%	0.81	S	S	*	*				43.9	107.7	128.2	-64.9	-170.1	150.9	0	0	121.5
713	H	25	Very low	26.9	Very low	165 Å²	165	146.9 Å²	146.9	76%	0.764	81%	0.81	S	S	*	*				71.2	124.7	122	-80.7	-61.6	0	0	0	122.9
714	K	24.9	Very low	26.5	Very low	190 Å²	190	151.8 Å²	151.8	83%	0.826	82%	0.815	S	S	*	*			trans	81.9	139.6	149.7	-67	169.7	-177.8	177.1	0	116.5
715	S	23.6	Very low	26.1	Very low	96 Å²	96	150.8 Å²	150.8	67%	0.671	81%	0.813	S	S	*	*			cis	177.1	147.3	-20.7	45.2	0	0	0	0	105.3
716	S	25.3	Very low	26.1	Very low	111 Å²	111	155.6 Å²	155.6	78%	0.776	81%	0.811	S	S	*	*			trans	72.5	111.2	157.8	71	0	0	0	0	119.4
717	K	28.5	Very low	26	Very low	213 Å²	213	152.7 Å²	152.7	93%	0.926	80%	0.803	S	S	*	*				-168	94.9	130	-103.9	170.8	-173.4	177.9	0	109.4
718	E	25.2	Very low	25.8	Very low	191 Å²	191	154 Å²	154	89%	0.893	80%	0.804	S	S	*	*			trans	-65.3	132.7	159.3	-70.6	175.7	146.3	0	0	109.1
719	K	24.7	Very low	25.8	Very low	202 Å²	202	152.9 Å²	152.9	88%	0.878	80%	0.796	S	S	*	*			trans	-165	108.4	147.8	-101	-178.7	-165.1	-173.2	0	110
720	N	25.1	Very low	26	Very low	169 Å²	169	150.6 Å²	150.6	90%	0.904	79%	0.789	S	S	*	*			trans	22.4	112.3	150.3	-65.2	-12.3	0	0	0	119.3
721	S	26	Very low	26.5	Very low	121 Å²	121	148.1 Å²	148.1	85%	0.846	78%	0.776	S	S	*	*			trans	-144.6	125.3	145	62.4	0	0	0	0	111.5	A723	S721-A723 PolarHBondContact O-N 3.38Å
722	T	23.7	Very low	27.1	Very low	146 Å²	146	146.7 Å²	146.7	90%	0.896	78%	0.779	S	S	*	*			trans	-74.9	108.8	175.8	41.6	0	0	0	0	110.5
723	A	24.6	Very low	28.2	Very low	89 Å²	89	140.7 Å²	140.7	74%	0.736	76%	0.756	S	S	*	*			trans	-164.9	111.4	156.3	0	0	0	0	0	110.9	S721 S725	S721-A723 PolarHBondContact O-N 3.38Å; A723-S725 PolarHBondContact O-N 2.87Å
724	R	26.3	Very low	29.3	Very low	222 Å²	222	135.1 Å²	135.1	84%	0.838	73%	0.731	S	S	*	*			trans	30.3	81.1	154.2	-64.1	179.6	-179.5	172.2	1.2	115.3	F726	R724-F726 VanDerWaalsContact C-N 3.35Å; R724-F726 HydrophobicContact CB-CE2 4.24Å; R724-F726 WeakPolarHBondContact O-CD2 3.3Å; R724-F726 PolarHBondContact O-N 3.43Å
725	S	24.3	Very low	30.4	Very low	108 Å²	108	127 Å²	127	76%	0.755	70%	0.701	S	S	*	*			trans	-65.6	94.7	164.8	56.9	0	0	0	0	109.6	A723 S727	A723-S725 PolarHBondContact O-N 2.87Å; S725-S727 PolarHBondContact O-N 3.15Å; S725-S727 VanDerWaalsContact O-N 3.13Å
726	F	27.5	Very low	32	Very low	183 Å²	183	131.5 Å²	131.5	80%	0.803	70%	0.703	S	S	*	*			trans	-65.5	95.6	158.1	-69.5	-89.4	0	0	0	107.4	R724	R724-F726 VanDerWaalsContact C-N 3.35Å; R724-F726 HydrophobicContact CB-CE2 4.24Å; R724-F726 WeakPolarHBondContact O-CD2 3.3Å; R724-F726 PolarHBondContact O-N 3.43Å
727	S	26.9	Very low	34	Very low	87 Å²	87	127.5 Å²	127.5	61%	0.608	67%	0.673	S	S	*	*			trans	-121	118.7	177.6	52.5	0	0	0	0	112	S725	S725-S727 PolarHBondContact O-N 3.15Å; S725-S727 VanDerWaalsContact O-N 3.13Å
728	H	26.3	Very low	36.5	Very low	174 Å²	174	120.1 Å²	120.1	81%	0.806	65%	0.646	S	S	*	*	S	Bend	trans	61.5	122.1	167.5	-66.4	-80.1	0	0	0	117.3
729	I	27.3	Very low	39.5	Very low	143 Å²	143	115.6 Å²	115.6	73%	0.733	62%	0.623	S	S	*	*			cis	-143.5	119.4	41.9	-58.5	162.3	0	0	0	110.4	D731	I729-D731 PolarHBondContact O-N 3.06Å
730	P	31.8	Very low	42.7	Very low	93 Å²	93	106 Å²	106	60%	0.604	58%	0.582	S	S	*	*			trans	-87.9	95.3	156.9	27.1	-15.6	0	0	0	107.9	S732	P730-S732 PolarHBondContact O-N 3.06Å
731	D	37.7	Very low	46	Very low	95 Å²	95	98 Å²	98	51%	0.508	54%	0.538	S	S	.	.			trans	-59.2	127.2	159.7	-147.6	9.5	0	0	0	104.9	I729 S733 I734	I729-D731 PolarHBondContact O-N 3.06Å; D731-S733 PolarHBondContact O-N 3.14Å; D731-I734 PolarHBondContact O-N 3.03Å
732	S	39.6	Very low	49.3	Very low	114 Å²	114	92.2 Å²	92.2	80%	0.797	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	6.3	-164.4	54.9	0	0	0	0	115.9	P730	P730-S732 PolarHBondContact O-N 3.06Å
733	S	47.9	Very low	52.7	Low	43 Å²	43	85.2 Å²	85.2	30%	0.301	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-26.4	171.8	63.4	0	0	0	0	115.3	R487 D731	R487-S733 VanDerWaalsContact NH1-CB 3.29Å; R487-S733 PolarHBondContact NH1-OG 2.8Å; D731-S733 PolarHBondContact O-N 3.14Å
734	I	47.9	Very low	56.1	Low	48 Å²	48	81 Å²	81	25%	0.246	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-26.4	178.9	-64.7	172	0	0	0	111.5	A484 R487 D731 R736 L737	A484-I734 HydrophobicContact CB-CD1 4.41Å; A484-I734 HydrophobicContact CB-CG1 4.19Å; R487-I734 HydrophobicContact CB-CD1 4.2Å; D731-I734 PolarHBondContact O-N 3.03Å; I734-R736 PolarHBondContact O-N 3.43Å; I734-L737 PolarHBondContact O-N 3.41Å
735	G	49.1	Very low	59.4	Low	19 Å²	19	70.4 Å²	70.4	20%	0.196	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-23.2	177.8	0	0	0	0	0	114.3	S701 T738	S701-G735 PolarHBondContact OG-O 3Å; S701-G735 VanDerWaalsContact OG-O 3.12Å; G735-T738 WeakPolarHBondContact O-CG2 3.41Å
736	R	55.7	Low	62.7	Low	191 Å²	191	65.4 Å²	65.4	72%	0.721	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-10.1	174.4	-68.5	-175.3	-176.7	167.9	1.5	115.1	I734	I734-R736 PolarHBondContact O-N 3.43Å
737	L	69.1	Low	65.8	Low	26 Å²	26	60 Å²	60	14%	0.136	33%	0.328	C	S	.	.			trans	-119	42.4	-172.4	-56.7	173.2	0	0	0	110.5	L481 F698 I734 W758	L481-L737 HydrophobicContact CD2-CB 4.49Å; L481-L737 HydrophobicContact CD2-CD1 4.24Å; F698-L737 HydrophobicContact CD1-CB 4.29Å; F698-L737 HydrophobicContact CD1-CD2 3.81Å; F698-L737 HydrophobicContact CD2-CD2 3.51Å; F698-L737 HydrophobicContact CE1-CB 4.34Å; F698-L737 HydrophobicContact CE1-CD2 3.84Å; F698-L737 HydrophobicContact CE2-CD2 3.5Å; F698-L737 HydrophobicContact CG-CD2 3.67Å; F698-L737 HydrophobicContact CZ-CD2 3.69Å; I734-L737 PolarHBondContact O-N 3.41Å; L737-W758 PolarHBondContact O-NE1 3.35Å
738	T	79	Confident	68.7	Low	59 Å²	59	61 Å²	61	36%	0.362	32%	0.322	S	S	.	.	S	Bend	trans	-69.9	-50.6	-175	47.8	0	0	0	0	112.4	G735 N759	G735-T738 WeakPolarHBondContact O-CG2 3.41Å; T738-N759 WeakPolarHBondContact O-CB 3.38Å; T738-N759 PolarHBondContact O-ND2 2.99Å
739	K	88.5	Confident	71.7	Confident	96 Å²	96	56.3 Å²	56.3	42%	0.417	30%	0.303	S	S	.	.	S	Bend	trans	-141.2	140.6	178	-61.8	-174.9	-178.1	173.4	0	108.9	F698 A699 W758 M760	F698-K739 CarbonylContact C-O 3.52Å; F698-K739 VanDerWaalsContact CA-O 3.27Å; F698-K739 WeakPolarHBondContact CA-O 3.43Å; A699-K739 HydrophobicContact CB-CB 4.42Å; A699-K739 PolarHBondContact N-O 3.39Å; K739-W758 WeakPolarHBondContact CA-O 3.25Å; K739-M760 HydrophobicContact CB-CG 3.91Å; K739-M760 HydrophobicContact CB-SD 4.45Å; K739-M760 HydrophobicContact CD-CG 4.43Å; K739-M760 HydrophobicContact CG-CG 4.34Å
740	G	91.6	Very high	74.7	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.6	168.2	177.3	0	0	0	0	0	114.9	F697 W758 M760	F697-G740 CarbonylContact O-C 3.59Å; F697-G740 WeakPolarHBondContact O-CA 3.43Å; G740-W758 PolarHBondContact N-O 3.35Å; G740-W758 WeakPolarHBondContact O-CA 3.38Å; G740-W758 WeakPolarHBondContact O-CB 3.29Å; G740-W758 PolarHBondContact O-N 3.41Å; G740-M760 WeakPolarHBondContact O-CE 3.35Å
741	V	95	Very high	77.6	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.8	174.9	64.2	0	0	0	0	109.7	A696 F697 F743 I755 L756 L757 M760 A811 F814 L816	A696-V741 CarbonylContact C-O 3.59Å; A696-V741 WeakPolarHBondContact CA-O 3.41Å; F697-V741 HydrophobicContact CB-CG1 4.13Å; F697-V741 HydrophobicContact CD2-CG1 4.49Å; F697-V741 PolarHBondContact N-O 3.15Å; F697-V741 PolarHBondContact O-N 2.88Å; V741-F743 HydrophobicContact CB-CZ 4.5Å; V741-F743 HydrophobicContact CG1-CE2 3.64Å; V741-F743 HydrophobicContact CG1-CZ 3.81Å; V741-F743 HydrophobicContact CG2-CE1 4.06Å; V741-F743 HydrophobicContact CG2-CE2 4.16Å; V741-F743 HydrophobicContact CG2-CZ 3.82Å; V741-I755 HydrophobicContact CG2-CG2 3.66Å; V741-L756 CarbonylContact C-O 3.31Å; V741-L756 WeakPolarHBondContact CA-O 3.43Å; V741-L757 HydrophobicContact CG2-CD2 4.11Å; V741-M760 HydrophobicContact CB-CE 4.24Å; V741-A811 HydrophobicContact CG1-CB 3.71Å; V741-F814 HydrophobicContact CG2-CD2 4.24Å; V741-F814 HydrophobicContact CG2-CE2 4.29Å; V741-L816 HydrophobicContact CG1-CD1 4.03Å; V741-L816 HydrophobicContact CG1-CD2 4.33Å
742	V	95.1	Very high	80.3	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.6	175.8	-173.1	0	0	0	0	108.9	P478 L481 R695 A696 Y744 I755 L756	P478-V742 HydrophobicContact CG-CG1 3.63Å; P478-V742 HydrophobicContact CG-CG2 4.41Å; L481-V742 HydrophobicContact CD1-CG2 3.66Å; R695-V742 CarbonylContact O-C 3.5Å; R695-V742 WeakPolarHBondContact O-CA 3.48Å; A696-V742 HydrophobicContact CB-CB 4.46Å; A696-V742 HydrophobicContact CB-CG1 4.37Å; A696-V742 HydrophobicContact CB-CG2 3.9Å; V742-Y744 HydrophobicContact CB-CE2 4.14Å; V742-Y744 HydrophobicContact CG1-CD2 4.31Å; V742-Y744 HydrophobicContact CG1-CE2 3.73Å; V742-I755 CarbonylContact O-C 3.4Å; V742-I755 WeakPolarHBondContact O-CA 3.1Å; V742-L756 HydrophobicContact CB-CB 4.21Å; V742-L756 HydrophobicContact CB-CD2 4.46Å; V742-L756 HydrophobicContact CG2-CD2 4.07Å; V742-L756 PolarHBondContact N-O 3Å; V742-L756 PolarHBondContact O-N 3.28Å
743	F	96.1	Very high	83	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	132.8	173.8	-58.9	-77	0	0	0	110.2	T694 R695 F697 V741 L752 I755 L807 I810 A811 F814	T694-F743 VanDerWaalsContact CA-O 3.32Å; T694-F743 WeakPolarHBondContact CA-O 3.35Å; R695-F743 PolarHBondContact N-O 3.36Å; R695-F743 PolarHBondContact O-N 3.16Å; F697-F743 AromaticContact CD2-CD2 3.87Å; F697-F743 HydrophobicContact CD2-CD2 3.87Å; F697-F743 AromaticContact CD2-CE2 3.65Å; F697-F743 HydrophobicContact CD2-CE2 3.65Å; F697-F743 AromaticContact CE2-CD2 3.83Å; F697-F743 HydrophobicContact CE2-CD2 3.83Å; F697-F743 AromaticContact CE2-CE2 3.82Å; F697-F743 HydrophobicContact CE2-CE2 3.82Å; V741-F743 HydrophobicContact CB-CZ 4.5Å; V741-F743 HydrophobicContact CG1-CE2 3.64Å; V741-F743 HydrophobicContact CG1-CZ 3.81Å; V741-F743 HydrophobicContact CG2-CE1 4.06Å; V741-F743 HydrophobicContact CG2-CE2 4.16Å; V741-F743 HydrophobicContact CG2-CZ 3.82Å; F743-L752 HydrophobicContact CB-CD1 3.89Å; F743-L752 HydrophobicContact CD1-CD1 3.78Å; F743-L752 HydrophobicContact CD1-CD2 4.41Å; F743-L752 HydrophobicContact CG-CD1 4.3Å; F743-I755 HydrophobicContact CD1-CD1 4.37Å; F743-I755 HydrophobicContact CD1-CG1 4.03Å; F743-I755 HydrophobicContact CE1-CD1 4.27Å; F743-I755 HydrophobicContact CE1-CG1 4.35Å; F743-I755 HydrophobicContact CE1-CG2 4.47Å; F743-L807 HydrophobicContact CB-CD2 4.12Å; F743-L807 HydrophobicContact CD1-CD2 4.06Å; F743-L807 HydrophobicContact CD2-CD2 3.81Å; F743-L807 HydrophobicContact CE1-CD2 4.45Å; F743-L807 HydrophobicContact CE2-CD2 4.19Å; F743-L807 HydrophobicContact CG-CD2 3.72Å; F743-I810 HydrophobicContact CE1-CG2 3.79Å; F743-I810 HydrophobicContact CZ-CB 4.33Å; F743-I810 HydrophobicContact CZ-CG2 3.83Å; F743-A811 HydrophobicContact CE2-CB 4Å; F743-A811 HydrophobicContact CZ-CB 4.25Å; F743-F814 HydrophobicContact CE1-CE2 4.16Å; F743-F814 HydrophobicContact CZ-CE2 4.22Å
744	Y	96	Very high	85.3	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	121.7	175.2	-64.9	-102.4	0	0	0	109.4	V476 L686 I687 L692 L693 T694 V742 V753 G754 L756	V476-Y744 WeakPolarHBondContact O-CE1 3.47Å; V476-Y744 PolarHBondContact O-OH 2.94Å; L686-Y744 WeakPolarHBondContact O-CB 3.21Å; I687-Y744 HydrophobicContact CB-CE1 4.41Å; I687-Y744 HydrophobicContact CB-CE2 4.36Å; I687-Y744 HydrophobicContact CG2-CD2 4.02Å; I687-Y744 HydrophobicContact CG2-CE2 3.74Å; L692-Y744 HydrophobicContact CB-CD1 4.19Å; L692-Y744 HydrophobicContact CD1-CD1 4.22Å; L692-Y744 HydrophobicContact CD1-CG 4.45Å; L693-Y744 WeakPolarHBondContact O-CA 3.5Å; T694-Y744 HydrophobicContact CG2-CD1 3.69Å; T694-Y744 HydrophobicContact CG2-CE1 3.63Å; T694-Y744 HydrophobicContact CG2-CG 4.45Å; V742-Y744 HydrophobicContact CB-CE2 4.14Å; V742-Y744 HydrophobicContact CG1-CD2 4.31Å; V742-Y744 HydrophobicContact CG1-CE2 3.73Å; Y744-V753 WeakPolarHBondContact O-CG2 3.25Å; Y744-V753 PolarHBondContact O-N 3.01Å; Y744-G754 PolarHBondContact N-O 3.43Å; Y744-G754 PolarHBondContact O-N 3.41Å; Y744-L756 HydrophobicContact CE2-CB 3.89Å
745	L	95	Very high	87.6	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	144.2	-175.1	-48.8	170.1	0	0	0	110.5	L692 L693 R695 R751 L752 I789 L791 L807	L692-L745 CarbonylContact C-O 3.54Å; L692-L745 WeakPolarHBondContact CA-O 3.35Å; L692-L745 WeakPolarHBondContact CB-O 3.34Å; L693-L745 HydrophobicContact CB-CB 4.25Å; L693-L745 PolarHBondContact N-O 3.31Å; L693-L745 PolarHBondContact O-N 3.34Å; R695-L745 HydrophobicContact CG-CD1 4.43Å; L745-R751 CarbonylContact C-O 3.42Å; L745-R751 VanDerWaalsContact CA-O 3.25Å; L745-R751 WeakPolarHBondContact CA-O 3.25Å; L745-L752 HydrophobicContact CD2-CB 4.02Å; L745-L752 HydrophobicContact CD2-CD1 3.89Å; L745-I789 HydrophobicContact CD1-CB 4.4Å; L745-I789 HydrophobicContact CD2-CB 4.3Å; L745-I789 HydrophobicContact CD2-CG1 3.81Å; L745-L791 HydrophobicContact CD1-CD1 4.06Å; L745-L791 HydrophobicContact CD1-CD2 4.1Å; L745-L791 HydrophobicContact CD1-CG 4.35Å; L745-L807 HydrophobicContact CD1-CD1 4.19Å
746	T	94	Very high	89.9	Confident	3 Å²	3	33 Å²	33	2%	0.018	16%	0.155	C	C	.	.			trans	-65.1	140.8	170	55.2	0	0	0	0	110.8	Y116 L692 K748 K750 R751 V753	Y116-T746 HydrophobicContact CD1-CG2 4.45Å; Y116-T746 HydrophobicContact CG-CG2 4.2Å; L692-T746 HydrophobicContact CD2-CG2 4.4Å; T746-K748 PolarHBondContact O-N 2.82Å; T746-K750 WeakPolarHBondContact O-CA 3.43Å; T746-K750 PolarHBondContact O-N 2.95Å; T746-R751 PolarHBondContact N-O 2.87Å; T746-R751 WeakPolarHBondContact OG1-CB 3.36Å; T746-R751 PolarHBondContact OG1-N 2.98Å; T746-V753 HydrophobicContact CG2-CG1 3.71Å; T746-V753 HydrophobicContact CG2-CG2 4.1Å
747	P	91.6	Very high	91.8	Very high	68 Å²	68	24 Å²	24	44%	0.442	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-26.5	-175.1	24.7	-32.7	0	0	0	114.4	L693	L693-P747 HydrophobicContact CG-CB 4.29Å
748	K	88.2	Confident	93	Very high	110 Å²	110	22.9 Å²	22.9	48%	0.478	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-59.2	179.9	-67.6	-175	-178.2	-179.2	0	111.4	D115 T746	D115-K748 IonicContact OD1-NZ 3.53Å; D115-K748 PolarHBondContact OD1-NZ 3.37Å; T746-K748 PolarHBondContact O-N 2.82Å
749	D	89.1	Confident	93.6	Very high	75 Å²	75	21.6 Å²	21.6	40%	0.401	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	1.7	-168.9	-51.1	-31.1	0	0	0	112.7	R751 I788	D749-R751 PolarHBondContact O-N 3.41Å; D749-I788 WeakPolarHBondContact O-CG2 3.18Å
750	K	91.3	Very high	93.7	Very high	43 Å²	43	17.1 Å²	17.1	19%	0.187	9%	0.087	C	C	.	.			trans	53.3	26.7	-177.2	-54.6	173.1	179.5	175.8	0	113.1	T746 I789 L791 D792	T746-K750 WeakPolarHBondContact O-CA 3.43Å; T746-K750 PolarHBondContact O-N 2.95Å; K750-I789 WeakPolarHBondContact CB-O 3.34Å; K750-I789 VanDerWaalsContact CD-O 3.3Å; K750-I789 WeakPolarHBondContact CD-O 3.42Å; K750-I789 PolarHBondContact O-N 2.79Å; K750-L791 HydrophobicContact CD-CB 4.06Å; K750-L791 HydrophobicContact CD-CD1 3.98Å; K750-L791 HydrophobicContact CD-CG 3.98Å; K750-L791 HydrophobicContact CG-CD1 4.15Å; K750-D792 IonicContact NZ-OD1 3.99Å; K750-D792 PolarHBondContact NZ-OD1 3.12Å; K750-D792 IonicContact NZ-OD2 3.79Å; K750-D792 PolarHBondContact NZ-OD2 3.22Å
751	R	92.8	Very high	93.4	Very high	17 Å²	17	20.5 Å²	20.5	6%	0.064	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-73.5	133.9	178.1	178.7	179.1	165.4	-165.4	-2.5	111.3	V622 V623 L745 T746 D749 V753 L787 I788	V622-R751 PolarHBondContact O-NH2 3.33Å; V623-R751 PolarHBondContact O-NH1 3.04Å; V623-R751 PolarHBondContact O-NH2 3.34Å; L745-R751 CarbonylContact C-O 3.42Å; L745-R751 VanDerWaalsContact CA-O 3.25Å; L745-R751 WeakPolarHBondContact CA-O 3.25Å; T746-R751 PolarHBondContact N-O 2.87Å; T746-R751 WeakPolarHBondContact OG1-CB 3.36Å; T746-R751 PolarHBondContact OG1-N 2.98Å; D749-R751 PolarHBondContact O-N 3.41Å; R751-V753 HydrophobicContact CG-CG1 4.29Å; R751-V753 PolarHBondContact O-N 3.4Å; R751-L787 CarbonylContact C-O 3.55Å; R751-L787 WeakPolarHBondContact CA-O 3.46Å; R751-I788 HydrophobicContact CB-CG1 4.4Å
752	L	94.5	Very high	93.1	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.016	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	120.2	173.9	-177.5	63.2	0	0	0	111.2	F743 L745 G754 I755 L782 L783 L787	F743-L752 HydrophobicContact CB-CD1 3.89Å; F743-L752 HydrophobicContact CD1-CD1 3.78Å; F743-L752 HydrophobicContact CD1-CD2 4.41Å; F743-L752 HydrophobicContact CG-CD1 4.3Å; L745-L752 HydrophobicContact CD2-CB 4.02Å; L745-L752 HydrophobicContact CD2-CD1 3.89Å; L752-G754 WeakPolarHBondContact CD1-O 3.43Å; L752-I755 HydrophobicContact CD1-CG1 4.16Å; L752-I755 HydrophobicContact CD2-CD1 4.13Å; L752-I755 HydrophobicContact CD2-CG1 4.44Å; L752-L782 HydrophobicContact CD2-CB 4.34Å; L752-L783 HydrophobicContact CG-CD2 4.07Å; L752-L787 HydrophobicContact CB-CB 4.47Å; L752-L787 HydrophobicContact CD2-CD1 4.5Å; L752-L787 PolarHBondContact N-O 3.48Å
753	V	95.4	Very high	92.8	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.012	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	-9.8	-175.1	-69	0	0	0	0	114	V623 G685 L686 L692 Y744 T746 R751	V623-V753 HydrophobicContact CG1-CB 4.02Å; V623-V753 HydrophobicContact CG1-CG1 3.97Å; G685-V753 CarbonylContact C-O 3.53Å; G685-V753 WeakPolarHBondContact CA-O 3.18Å; L686-V753 HydrophobicContact CB-CG2 4.34Å; L686-V753 HydrophobicContact CD1-CB 4.34Å; L686-V753 HydrophobicContact CD1-CG2 4.43Å; L686-V753 PolarHBondContact N-O 2.93Å; L692-V753 HydrophobicContact CD1-CG2 3.92Å; L692-V753 HydrophobicContact CD2-CG2 3.86Å; Y744-V753 WeakPolarHBondContact O-CG2 3.25Å; Y744-V753 PolarHBondContact O-N 3.01Å; T746-V753 HydrophobicContact CG2-CG1 3.71Å; T746-V753 HydrophobicContact CG2-CG2 4.1Å; R751-V753 HydrophobicContact CG-CG1 4.29Å; R751-V753 PolarHBondContact O-N 3.4Å
754	G	96.1	Very high	92.3	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	152.6	173.2	0	0	0	0	0	112.6	V684 L686 Y744 L752	V684-G754 CarbonylContact O-C 3.55Å; V684-G754 VanDerWaalsContact O-CA 3.27Å; V684-G754 WeakPolarHBondContact O-CA 3.49Å; L686-G754 WeakPolarHBondContact O-CA 3.18Å; Y744-G754 PolarHBondContact N-O 3.43Å; Y744-G754 PolarHBondContact O-N 3.41Å; L752-G754 WeakPolarHBondContact CD1-O 3.43Å
755	I	97.1	Very high	91.7	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	133.6	178.4	-57.5	177.5	0	0	0	107.6	A683 V684 V741 V742 F743 L752 L757 A779 L782 L783 F814	A683-I755 CarbonylContact C-O 3.41Å; A683-I755 VanDerWaalsContact CA-O 3.26Å; A683-I755 WeakPolarHBondContact CA-O 3.35Å; V684-I755 PolarHBondContact N-O 3.25Å; V684-I755 PolarHBondContact O-N 3.09Å; V741-I755 HydrophobicContact CG2-CG2 3.66Å; V742-I755 CarbonylContact O-C 3.4Å; V742-I755 WeakPolarHBondContact O-CA 3.1Å; F743-I755 HydrophobicContact CD1-CD1 4.37Å; F743-I755 HydrophobicContact CD1-CG1 4.03Å; F743-I755 HydrophobicContact CE1-CD1 4.27Å; F743-I755 HydrophobicContact CE1-CG1 4.35Å; F743-I755 HydrophobicContact CE1-CG2 4.47Å; L752-I755 HydrophobicContact CD1-CG1 4.16Å; L752-I755 HydrophobicContact CD2-CD1 4.13Å; L752-I755 HydrophobicContact CD2-CG1 4.44Å; I755-L757 HydrophobicContact CG2-CD2 4.21Å; I755-A779 HydrophobicContact CB-CB 4.13Å; I755-A779 HydrophobicContact CD1-CB 3.89Å; I755-A779 HydrophobicContact CG2-CB 4.14Å; I755-L782 HydrophobicContact CD1-CB 4.04Å; I755-L782 HydrophobicContact CD1-CD1 4.1Å; I755-L783 HydrophobicContact CD1-CG 4.4Å; I755-L783 HydrophobicContact CG1-CD2 4.43Å; I755-F814 HydrophobicContact CD1-CZ 4.18Å; I755-F814 HydrophobicContact CG2-CE1 4.48Å; I755-F814 HydrophobicContact CG2-CZ 4.06Å
756	L	96.5	Very high	91	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.3	173.1	178.9	151.7	0	0	0	109.6	L477 W681 D682 A683 V741 V742 Y744 W758	L477-L756 HydrophobicContact CD2-CD1 3.47Å; L477-L756 VanDerWaalsContact CD2-CD1 3.47Å; L477-L756 HydrophobicContact CD2-CD2 4.42Å; W681-L756 HydrophobicContact CB-CD1 4.42Å; W681-L756 HydrophobicContact CB-CD2 4.04Å; W681-L756 HydrophobicContact CB-CG 4.18Å; W681-L756 HydrophobicContact CG-CD1 4.3Å; D682-L756 CarbonylContact O-C 3.51Å; D682-L756 WeakPolarHBondContact O-CA 3.39Å; A683-L756 HydrophobicContact CB-CB 4Å; A683-L756 HydrophobicContact CB-CD1 4.17Å; A683-L756 HydrophobicContact CB-CG 4.11Å; V741-L756 CarbonylContact C-O 3.31Å; V741-L756 WeakPolarHBondContact CA-O 3.43Å; V742-L756 HydrophobicContact CB-CB 4.21Å; V742-L756 HydrophobicContact CB-CD2 4.46Å; V742-L756 HydrophobicContact CG2-CD2 4.07Å; V742-L756 PolarHBondContact N-O 3Å; V742-L756 PolarHBondContact O-N 3.28Å; Y744-L756 HydrophobicContact CE2-CB 3.89Å; L756-W758 HydrophobicContact CD2-CB 3.96Å; L756-W758 HydrophobicContact CD2-CE3 4.26Å
757	L	95.9	Very high	90.5	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	109.6	174.3	-50.4	179	0	0	0	107.3	W681 D682 V741 I755 M760 R775 L776 F814	W681-L757 CarbonylContact C-O 3.54Å; W681-L757 WeakPolarHBondContact CA-O 3.34Å; W681-L757 VanDerWaalsContact CB-O 3.26Å; W681-L757 WeakPolarHBondContact CB-O 3.5Å; D682-L757 HydrophobicContact CB-CB 4.43Å; D682-L757 HydrophobicContact CB-CD1 4.46Å; D682-L757 PolarHBondContact N-O 3.46Å; D682-L757 PolarHBondContact O-N 3.15Å; V741-L757 HydrophobicContact CG2-CD2 4.11Å; I755-L757 HydrophobicContact CG2-CD2 4.21Å; L757-M760 HydrophobicContact CB-CB 4.37Å; L757-M760 HydrophobicContact CB-CE 3.77Å; L757-M760 HydrophobicContact CD2-CE 3.63Å; L757-M760 HydrophobicContact CG-CE 4.26Å; L757-R775 HydrophobicContact CD1-CB 3.53Å; L757-L776 HydrophobicContact CD1-CD2 3.89Å; L757-L776 HydrophobicContact CD1-CG 4.25Å; L757-F814 HydrophobicContact CD2-CD1 3.53Å; L757-F814 HydrophobicContact CD2-CE1 3.62Å; L757-F814 HydrophobicContact CD2-CG 4.36Å
758	W	94.2	Very high	90	Very high	3 Å²	3	41 Å²	41	1%	0.011	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	120.8	-179.6	179.7	-92.8	0	0	0	109.9	L477 L481 V485 I679 W681 F698 L737 K739 G740 L756 M760	L477-W758 HydrophobicContact CD1-CH2 4.42Å; L477-W758 HydrophobicContact CD1-CZ3 3.8Å; L477-W758 HydrophobicContact CD2-CZ3 4.37Å; L481-W758 HydrophobicContact CB-CH2 4.39Å; L481-W758 HydrophobicContact CB-CZ3 4.25Å; L481-W758 HydrophobicContact CD1-CB 4.48Å; L481-W758 HydrophobicContact CD1-CD2 3.96Å; L481-W758 HydrophobicContact CD1-CE3 3.76Å; L481-W758 HydrophobicContact CD1-CG 4.29Å; L481-W758 HydrophobicContact CD1-CZ3 4.29Å; L481-W758 HydrophobicContact CD2-CD2 3.7Å; L481-W758 HydrophobicContact CD2-CE3 4.09Å; L481-W758 HydrophobicContact CD2-CG 4.13Å; L481-W758 HydrophobicContact CD2-CH2 4.22Å; L481-W758 HydrophobicContact CD2-CZ2 3.87Å; L481-W758 HydrophobicContact CD2-CZ3 4.33Å; L481-W758 HydrophobicContact CG-CD2 4.4Å; L481-W758 HydrophobicContact CG-CE3 4.36Å; V485-W758 HydrophobicContact CG2-CH2 3.86Å; V485-W758 HydrophobicContact CG2-CZ3 4.4Å; I679-W758 HydrophobicContact CD1-CH2 4.5Å; I679-W758 HydrophobicContact CD1-CZ2 4.41Å; I679-W758 HydrophobicContact CG1-CZ2 4.45Å; I679-W758 HydrophobicContact CG2-CH2 3.4Å; I679-W758 HydrophobicContact CG2-CZ2 3.65Å; I679-W758 HydrophobicContact CG2-CZ3 4Å; W681-W758 HydrophobicContact CB-CE3 4.2Å; W681-W758 HydrophobicContact CD2-CZ3 4.23Å; W681-W758 HydrophobicContact CE3-CE3 4.05Å; W681-W758 HydrophobicContact CE3-CH2 4.18Å; W681-W758 AromaticContact CE3-CZ3 3.5Å; W681-W758 HydrophobicContact CE3-CZ3 3.5Å; W681-W758 VanDerWaalsContact CE3-CZ3 3.5Å; W681-W758 HydrophobicContact CZ3-CH2 4.32Å; W681-W758 AromaticContact CZ3-CZ3 3.97Å; W681-W758 HydrophobicContact CZ3-CZ3 3.97Å; F698-W758 HydrophobicContact CE1-CB 4.4Å; F698-W758 AromaticContact CE1-CD1 3.97Å; F698-W758 HydrophobicContact CE1-CG 4.23Å; L737-W758 PolarHBondContact O-NE1 3.35Å; K739-W758 WeakPolarHBondContact CA-O 3.25Å; G740-W758 PolarHBondContact N-O 3.35Å; G740-W758 WeakPolarHBondContact O-CA 3.38Å; G740-W758 WeakPolarHBondContact O-CB 3.29Å; G740-W758 PolarHBondContact O-N 3.41Å; L756-W758 HydrophobicContact CD2-CB 3.96Å; L756-W758 HydrophobicContact CD2-CE3 4.26Å; W758-M760 WeakPolarHBondContact O-CG 3.44Å; W758-M760 PolarHBondContact O-N 3.04Å; W758-M760 VanDerWaalsContact O-N 3.12Å
759	N	91.8	Very high	89.8	Confident	31 Å²	31	41.8 Å²	41.8	17%	0.166	23%	0.228	C	C	.	.	S	Bend	trans	53.1	29.7	178.8	-72.6	-6.6	0	0	0	113.8	E678 I679 S680 T738	E678-N759 PolarHBondContact O-ND2 3.18Å; I679-N759 VanDerWaalsContact CA-OD1 3.28Å; I679-N759 WeakPolarHBondContact CA-OD1 3.45Å; S680-N759 PolarHBondContact N-OD1 3.48Å; S680-N759 WeakPolarHBondContact O-CA 3.32Å; S680-N759 PolarHBondContact O-N 3.49Å; S680-N759 PolarHBondContact O-OD1 3.45Å; T738-N759 WeakPolarHBondContact O-CB 3.38Å; T738-N759 PolarHBondContact O-ND2 2.99Å
760	M	90	Very high	89.5	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.015	23%	0.234	C	C	.	.			trans	-117.1	128.9	175.8	-66	-174.8	-52.1	0	0	108.2	K739 G740 V741 L757 W758 L816	K739-M760 HydrophobicContact CB-CG 3.91Å; K739-M760 HydrophobicContact CB-SD 4.45Å; K739-M760 HydrophobicContact CD-CG 4.43Å; K739-M760 HydrophobicContact CG-CG 4.34Å; G740-M760 WeakPolarHBondContact O-CE 3.35Å; V741-M760 HydrophobicContact CB-CE 4.24Å; L757-M760 HydrophobicContact CB-CB 4.37Å; L757-M760 HydrophobicContact CB-CE 3.77Å; L757-M760 HydrophobicContact CD2-CE 3.63Å; L757-M760 HydrophobicContact CG-CE 4.26Å; W758-M760 WeakPolarHBondContact O-CG 3.44Å; W758-M760 PolarHBondContact O-N 3.04Å; W758-M760 VanDerWaalsContact O-N 3.12Å; M760-L816 HydrophobicContact SD-CG 4.22Å
761	P	86.5	Confident	89.1	Confident	71 Å²	71	48.4 Å²	48.4	46%	0.461	26%	0.263	S	S	.	.			trans	-65.3	157.8	171.2	28.9	-33.3	0	0	0	110.6	R775	P761-R775 WeakPolarHBondContact O-CD 3.39Å; P761-R775 PolarHBondContact O-NH1 3.18Å
762	D	88.3	Confident	88.6	Confident	41 Å²	41	48.7 Å²	48.7	22%	0.219	27%	0.268	C	S	.	.	S	Bend	trans	-60.7	-47.8	175.1	-174.9	19.4	0	0	0	110.7	S774 R775 L776	D762-S774 VanDerWaalsContact CG-OG 3.3Å; D762-S774 WeakPolarHBondContact OD1-CB 3.48Å; D762-S774 PolarHBondContact OD1-OG 3.49Å; D762-S774 PolarHBondContact OD2-OG 2.91Å; D762-R775 WeakPolarHBondContact O-CB 3.43Å; D762-R775 WeakPolarHBondContact O-CG 3.43Å; D762-R775 PolarHBondContact O-N 3.21Å; D762-R775 PolarHBondContact OD1-N 2.81Å; D762-L776 HydrophobicContact CB-CD1 4.23Å; D762-L776 HydrophobicContact CB-CG 4.43Å; D762-L776 WeakPolarHBondContact OD1-CB 3.35Å; D762-L776 WeakPolarHBondContact OD1-CG 3.29Å; D762-L776 PolarHBondContact OD1-N 3.36Å
763	E	87.6	Confident	88.2	Confident	97 Å²	97	51.9 Å²	51.9	45%	0.453	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-73.5	133.4	179	-57.1	89.7	174.4	0	0	112.4	Y765 A772 R775	E763-Y765 WeakPolarHBondContact CB-O 3.23Å; E763-Y765 PolarHBondContact O-N 3.38Å; E763-A772 HydrophobicContact CB-CB 3.97Å; E763-R775 VanDerWaalsContact C-NH1 3.3Å; E763-R775 PolarHBondContact O-NH1 3.17Å
764	I	86.5	Confident	88	Confident	20 Å²	20	52.9 Å²	52.9	10%	0.103	30%	0.296	C	S	.	.	S	Bend	trans	-60.8	-44.6	176.7	-66.9	-177.9	0	0	0	112.1	P773 R775 D815 I820	I764-P773 HydrophobicContact CD1-CB 3.86Å; I764-P773 HydrophobicContact CD1-CG 4.29Å; I764-P773 HydrophobicContact CG1-CB 4.4Å; I764-P773 WeakPolarHBondContact CG1-O 3.39Å; I764-P773 PolarHBondContact N-O 2.71Å; I764-P773 VanDerWaalsContact N-O 3.09Å; I764-R775 VanDerWaalsContact CA-NH1 3.32Å; I764-R775 HydrophobicContact CG1-CG 4.01Å; I764-D815 HydrophobicContact CG2-CB 4.23Å; I764-D815 WeakPolarHBondContact CG2-OD2 3.47Å; I764-I820 HydrophobicContact CG2-CB 3.92Å; I764-I820 HydrophobicContact CG2-CG2 3.75Å
765	Y	83.2	Confident	87.9	Confident	41 Å²	41	53.4 Å²	53.4	16%	0.161	30%	0.298	C	S	.	.	S	Bend	trans	-137.3	167.2	174.8	55	-96.9	0	0	0	109.1	E763 D767 A772 P773 Y824	E763-Y765 WeakPolarHBondContact CB-O 3.23Å; E763-Y765 PolarHBondContact O-N 3.38Å; Y765-D767 HydrophobicContact CD2-CB 4.25Å; Y765-D767 HydrophobicContact CE2-CB 4.25Å; Y765-A772 HydrophobicContact CD1-CB 4.17Å; Y765-A772 HydrophobicContact CD2-CB 3.69Å; Y765-A772 HydrophobicContact CE1-CB 4.07Å; Y765-A772 HydrophobicContact CE2-CB 3.56Å; Y765-A772 HydrophobicContact CG-CB 3.99Å; Y765-A772 WeakPolarHBondContact O-CB 3.4Å; Y765-P773 VanDerWaalsContact CE1-CD 3.5Å; Y765-P773 HydrophobicContact CE1-CG 4.49Å; Y765-Y824 HydrophobicContact CD1-CD1 4.39Å; Y765-Y824 HydrophobicContact CD1-CD2 4.21Å; Y765-Y824 AromaticContact CD1-CG 3.99Å; Y765-Y824 HydrophobicContact CD1-CG 3.99Å; Y765-Y824 AromaticContact CD2-CD1 3.53Å; Y765-Y824 HydrophobicContact CD2-CD1 3.53Å; Y765-Y824 HydrophobicContact CD2-CD2 4.19Å; Y765-Y824 AromaticContact CD2-CE1 3.46Å; Y765-Y824 HydrophobicContact CD2-CE1 3.46Å; Y765-Y824 VanDerWaalsContact CD2-CE1 3.46Å; Y765-Y824 HydrophobicContact CD2-CE2 4.12Å; Y765-Y824 AromaticContact CD2-CG 3.89Å; Y765-Y824 HydrophobicContact CD2-CG 3.89Å; Y765-Y824 AromaticContact CD2-CZ 3.74Å; Y765-Y824 AromaticContact CE1-CD2 3.95Å; Y765-Y824 HydrophobicContact CE1-CD2 3.95Å; Y765-Y824 HydrophobicContact CE1-CE2 4.27Å; Y765-Y824 HydrophobicContact CE1-CG 4.2Å; Y765-Y824 HydrophobicContact CE2-CD1 4.01Å; Y765-Y824 AromaticContact CE2-CD2 3.94Å; Y765-Y824 HydrophobicContact CE2-CD2 3.94Å; Y765-Y824 AromaticContact CE2-CE1 3.65Å; Y765-Y824 HydrophobicContact CE2-CE1 3.65Å; Y765-Y824 AromaticContact CE2-CE2 3.56Å; Y765-Y824 HydrophobicContact CE2-CE2 3.56Å; Y765-Y824 HydrophobicContact CE2-CG 4.13Å; Y765-Y824 AromaticContact CE2-CZ 3.38Å; Y765-Y824 AromaticContact CG-CD1 3.76Å; Y765-Y824 HydrophobicContact CG-CD1 3.76Å; Y765-Y824 HydrophobicContact CG-CD2 4.33Å; Y765-Y824 HydrophobicContact CG-CE1 4.18Å; Y765-Y824 AromaticContact CG-CG 3.83Å; Y765-Y824 HydrophobicContact CG-CG 3.83Å; Y765-Y824 AromaticContact CZ-CD2 3.8Å; Y765-Y824 AromaticContact CZ-CE2 3.64Å; Y765-Y824 AromaticContact CZ-CZ 3.98Å
766	T	80.4	Confident	87.8	Confident	129 Å²	129	53.8 Å²	53.8	79%	0.791	30%	0.3	S	S	*	.			trans	-111.6	113.1	178	55.5	0	0	0	0	110
767	D	82.7	Confident	87.6	Confident	35 Å²	35	58.3 Å²	58.3	19%	0.187	32%	0.324	C	S	.	.			trans	-135.9	137.7	170	-169.1	-52	0	0	0	109.3	Y765 N769 Y770 Y824 Q828	Y765-D767 HydrophobicContact CD2-CB 4.25Å; Y765-D767 HydrophobicContact CE2-CB 4.25Å; D767-N769 WeakPolarHBondContact OD1-CA 3.38Å; D767-N769 WeakPolarHBondContact OD1-CB 3.38Å; D767-N769 PolarHBondContact OD1-N 3.23Å; D767-Y770 PolarHBondContact OD1-N 3.4Å; D767-Y770 VanDerWaalsContact OD1-N 3.15Å; D767-Y824 HydrophobicContact CB-CE1 3.82Å; D767-Y824 WeakPolarHBondContact CB-OH 3.5Å; D767-Y824 VanDerWaalsContact CG-OH 3.24Å; D767-Y824 PolarHBondContact OD2-OH 3.04Å; D767-Q828 VanDerWaalsContact OD2-CD 3.31Å; D767-Q828 PolarHBondContact OD2-NE2 2.69Å
768	T	82.2	Confident	87.6	Confident	139 Å²	139	60.4 Å²	60.4	85%	0.853	34%	0.335	S	S	*	.	S	Bend	trans	-80	-25.6	-179.3	53.3	0	0	0	0	113.6
769	N	84.2	Confident	87.6	Confident	125 Å²	125	60.3 Å²	60.3	67%	0.668	34%	0.335	S	S	*	.	S	Bend	trans	-94.3	-28.3	-178.1	-56.4	-46.7	0	0	0	112	D767	D767-N769 WeakPolarHBondContact OD1-CA 3.38Å; D767-N769 WeakPolarHBondContact OD1-CB 3.38Å; D767-N769 PolarHBondContact OD1-N 3.23Å
770	Y	81.7	Confident	87.8	Confident	137 Å²	137	60.8 Å²	60.8	54%	0.537	34%	0.335	S	S	.	.	S	Bend	trans	-122.8	120.7	-176.7	-64.9	-76	0	0	0	111.7	D767 A772 Y824	D767-Y770 PolarHBondContact OD1-N 3.4Å; D767-Y770 VanDerWaalsContact OD1-N 3.15Å; Y770-A772 PolarHBondContact O-N 2.84Å; Y770-Y824 WeakPolarHBondContact CB-OH 3.43Å
771	P	82.8	Confident	88	Confident	121 Å²	121	63.5 Å²	63.5	79%	0.786	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-65.4	125.3	177	27.5	-32.7	0	0	0	109.5
772	A	84.1	Confident	88.4	Confident	22 Å²	22	60.4 Å²	60.4	18%	0.182	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-76.6	151	175.2	0	0	0	0	0	111.2	E763 Y765 Y770 S774	E763-A772 HydrophobicContact CB-CB 3.97Å; Y765-A772 HydrophobicContact CD1-CB 4.17Å; Y765-A772 HydrophobicContact CD2-CB 3.69Å; Y765-A772 HydrophobicContact CE1-CB 4.07Å; Y765-A772 HydrophobicContact CE2-CB 3.56Å; Y765-A772 HydrophobicContact CG-CB 3.99Å; Y765-A772 WeakPolarHBondContact O-CB 3.4Å; Y770-A772 PolarHBondContact O-N 2.84Å; A772-S774 PolarHBondContact O-N 2.82Å
773	P	85.6	Confident	88.7	Confident	70 Å²	70	58.6 Å²	58.6	46%	0.455	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-59.5	138.8	170.6	-18.6	29.8	0	0	0	110.8	I764 Y765	I764-P773 HydrophobicContact CD1-CB 3.86Å; I764-P773 HydrophobicContact CD1-CG 4.29Å; I764-P773 HydrophobicContact CG1-CB 4.4Å; I764-P773 WeakPolarHBondContact CG1-O 3.39Å; I764-P773 PolarHBondContact N-O 2.71Å; I764-P773 VanDerWaalsContact N-O 3.09Å; Y765-P773 VanDerWaalsContact CE1-CD 3.5Å; Y765-P773 HydrophobicContact CE1-CG 4.49Å
774	S	90.7	Very high	88.9	Confident	24 Å²	24	56.8 Å²	56.8	17%	0.168	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-90.1	124.5	177.9	156.3	0	0	0	0	110.7	D762 A772 L776 N777 L778	D762-S774 VanDerWaalsContact CG-OG 3.3Å; D762-S774 WeakPolarHBondContact OD1-CB 3.48Å; D762-S774 PolarHBondContact OD1-OG 3.49Å; D762-S774 PolarHBondContact OD2-OG 2.91Å; A772-S774 PolarHBondContact O-N 2.82Å; S774-L776 VanDerWaalsContact C-N 3.25Å; S774-L776 PolarHBondContact O-N 3.28Å; S774-L776 PolarHBondContact OG-N 2.99Å; S774-N777 PolarHBondContact O-N 2.98Å; S774-N777 PolarHBondContact OG-N 3.3Å; S774-L778 PolarHBondContact O-N 3.41Å; S774-L778 VanDerWaalsContact O-N 3.13Å
775	R	94.4	Very high	89.2	Confident	11 Å²	11	61 Å²	61	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-63.5	-32.9	172.2	-70.3	-173	179.9	80.4	8.5	111.2	L757 P761 D762 E763 I764 L778 A779 F814 D815	L757-R775 HydrophobicContact CD1-CB 3.53Å; P761-R775 WeakPolarHBondContact O-CD 3.39Å; P761-R775 PolarHBondContact O-NH1 3.18Å; D762-R775 WeakPolarHBondContact O-CB 3.43Å; D762-R775 WeakPolarHBondContact O-CG 3.43Å; D762-R775 PolarHBondContact O-N 3.21Å; D762-R775 PolarHBondContact OD1-N 2.81Å; E763-R775 VanDerWaalsContact C-NH1 3.3Å; E763-R775 PolarHBondContact O-NH1 3.17Å; I764-R775 VanDerWaalsContact CA-NH1 3.32Å; I764-R775 HydrophobicContact CG1-CG 4.01Å; R775-L778 PolarHBondContact O-N 3.44Å; R775-A779 WeakPolarHBondContact O-CB 3.39Å; R775-A779 PolarHBondContact O-N 2.87Å; R775-F814 HydrophobicContact CB-CD1 4.12Å; R775-F814 HydrophobicContact CG-CD1 4.36Å; R775-F814 PolarHBondContact NE-O 3.17Å; R775-F814 WeakPolarHBondContact O-CE1 3.46Å; R775-D815 IonicContact NH2-OD2 2.73Å
776	L	93.8	Very high	89.6	Confident	9 Å²	9	63.3 Å²	63.3	5%	0.047	36%	0.356	C	S	.	.	H	α-helix	trans	-67.4	-37.6	174.7	-69	175.2	0	0	0	112.2	D682 V684 L757 D762 S774 A779 R780	D682-L776 HydrophobicContact CB-CD1 4.29Å; D682-L776 HydrophobicContact CB-CD2 3.81Å; D682-L776 HydrophobicContact CB-CG 4.39Å; V684-L776 HydrophobicContact CG2-CD2 3.54Å; L757-L776 HydrophobicContact CD1-CD2 3.89Å; L757-L776 HydrophobicContact CD1-CG 4.25Å; D762-L776 HydrophobicContact CB-CD1 4.23Å; D762-L776 HydrophobicContact CB-CG 4.43Å; D762-L776 WeakPolarHBondContact OD1-CB 3.35Å; D762-L776 WeakPolarHBondContact OD1-CG 3.29Å; D762-L776 PolarHBondContact OD1-N 3.36Å; S774-L776 VanDerWaalsContact C-N 3.25Å; S774-L776 PolarHBondContact O-N 3.28Å; S774-L776 PolarHBondContact OG-N 2.99Å; L776-A779 WeakPolarHBondContact O-CB 3.42Å; L776-A779 PolarHBondContact O-N 3.42Å; L776-R780 VanDerWaalsContact O-CG 3.28Å; L776-R780 WeakPolarHBondContact O-CG 3.47Å; L776-R780 PolarHBondContact O-N 3.14Å
777	N	93.3	Very high	90.1	Very high	94 Å²	94	58.3 Å²	58.3	50%	0.503	32%	0.324	S	S	.	.	H	α-helix	trans	-66.2	-39	174.4	-74.5	-15.7	0	0	0	112	S774 R780 S781	S774-N777 PolarHBondContact O-N 2.98Å; S774-N777 PolarHBondContact OG-N 3.3Å; N777-R780 PolarHBondContact O-N 2.59Å; N777-R780 PolarHBondContact OD1-NH1 3.04Å; N777-S781 WeakPolarHBondContact O-CB 3.4Å; N777-S781 PolarHBondContact O-N 2.97Å
778	L	94.8	Very high	90.4	Very high	45 Å²	45	61.8 Å²	61.8	24%	0.236	34%	0.341	C	S	.	.	H	α-helix	trans	-59	-47.7	169.8	176.6	62.6	0	0	0	111.2	S774 R775 R780 S781 L782 Q813 F814	S774-L778 PolarHBondContact O-N 3.41Å; S774-L778 VanDerWaalsContact O-N 3.13Å; R775-L778 PolarHBondContact O-N 3.44Å; L778-R780 PolarHBondContact O-N 3.05Å; L778-S781 WeakPolarHBondContact O-CB 3.3Å; L778-S781 PolarHBondContact O-N 3.25Å; L778-L782 HydrophobicContact CD1-CD1 4.33Å; L778-L782 HydrophobicContact CD1-CG 4.37Å; L778-L782 HydrophobicContact CG-CD1 4.2Å; L778-L782 WeakPolarHBondContact O-CG 3.46Å; L778-L782 PolarHBondContact O-N 3.4Å; L778-Q813 HydrophobicContact CD2-CB 3.86Å; L778-Q813 WeakPolarHBondContact CD2-O 3.41Å; L778-F814 HydrophobicContact CB-CE1 4.31Å; L778-F814 HydrophobicContact CD2-CD1 3.88Å; L778-F814 HydrophobicContact CD2-CD2 4.16Å; L778-F814 HydrophobicContact CD2-CE1 3.9Å; L778-F814 HydrophobicContact CD2-CE2 4.17Å; L778-F814 HydrophobicContact CD2-CG 4.02Å; L778-F814 HydrophobicContact CD2-CZ 4.06Å; L778-F814 HydrophobicContact CG-CE1 4.06Å; L778-F814 HydrophobicContact CG-CE2 4.48Å; L778-F814 HydrophobicContact CG-CZ 4.04Å
779	A	95.9	Very high	90.6	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.008	30%	0.301	C	S	.	.	H	α-helix	trans	-58.8	-43.9	177.2	0	0	0	0	0	112.6	V684 I755 R775 L776 L782 L783 F814	V684-A779 HydrophobicContact CG2-CB 4.43Å; I755-A779 HydrophobicContact CB-CB 4.13Å; I755-A779 HydrophobicContact CD1-CB 3.89Å; I755-A779 HydrophobicContact CG2-CB 4.14Å; R775-A779 WeakPolarHBondContact O-CB 3.39Å; R775-A779 PolarHBondContact O-N 2.87Å; L776-A779 WeakPolarHBondContact O-CB 3.42Å; L776-A779 PolarHBondContact O-N 3.42Å; A779-L782 PolarHBondContact O-N 2.85Å; A779-L783 WeakPolarHBondContact O-CG 3.41Å; A779-L783 PolarHBondContact O-N 3.49Å; A779-L783 VanDerWaalsContact O-N 3.08Å; A779-F814 HydrophobicContact CB-CE1 4.04Å; A779-F814 HydrophobicContact CB-CZ 4.13Å
780	R	95.1	Very high	90.4	Very high	41 Å²	41	52.5 Å²	52.5	16%	0.155	29%	0.287	C	S	.	.	H	α-helix	trans	-60.5	-44.9	175.4	-70.7	178.9	-174.7	109.4	3.9	111.7	Q668 S670 V684 L776 N777 L778 L782 L783 A784	Q668-R780 HydrophobicContact CB-CG 4.2Å; Q668-R780 PolarHBondContact O-NE 3.18Å; S670-R780 PolarHBondContact OG-NH2 2.79Å; V684-R780 HydrophobicContact CG1-CG 3.92Å; L776-R780 VanDerWaalsContact O-CG 3.28Å; L776-R780 WeakPolarHBondContact O-CG 3.47Å; L776-R780 PolarHBondContact O-N 3.14Å; N777-R780 PolarHBondContact O-N 2.59Å; N777-R780 PolarHBondContact OD1-NH1 3.04Å; L778-R780 PolarHBondContact O-N 3.05Å; R780-L782 PolarHBondContact O-N 3.44Å; R780-L783 PolarHBondContact O-N 3.02Å; R780-A784 PolarHBondContact O-N 3.33Å
781	S	94.5	Very high	89.9	Confident	60 Å²	60	47 Å²	47	42%	0.42	27%	0.267	S	S	.	.	H	α-helix	trans	-59.6	-45.6	177.6	179.7	0	0	0	0	111.7	N777 L778 L783 A784 Q785	N777-S781 WeakPolarHBondContact O-CB 3.4Å; N777-S781 PolarHBondContact O-N 2.97Å; L778-S781 WeakPolarHBondContact O-CB 3.3Å; L778-S781 PolarHBondContact O-N 3.25Å; S781-L783 VanDerWaalsContact C-N 3.34Å; S781-L783 PolarHBondContact O-N 2.93Å; S781-A784 WeakPolarHBondContact O-CB 3.28Å; S781-A784 PolarHBondContact O-N 3.3Å; S781-Q785 WeakPolarHBondContact O-CG 3.36Å; S781-Q785 PolarHBondContact O-N 2.66Å
782	L	94.5	Very high	89.1	Confident	6 Å²	6	47.1 Å²	47.1	3%	0.031	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-38.3	177.8	-69.6	169.4	0	0	0	112.7	L752 I755 L778 A779 R780 Q785 L787 I810 F814	L752-L782 HydrophobicContact CD2-CB 4.34Å; I755-L782 HydrophobicContact CD1-CB 4.04Å; I755-L782 HydrophobicContact CD1-CD1 4.1Å; L778-L782 HydrophobicContact CD1-CD1 4.33Å; L778-L782 HydrophobicContact CD1-CG 4.37Å; L778-L782 HydrophobicContact CG-CD1 4.2Å; L778-L782 WeakPolarHBondContact O-CG 3.46Å; L778-L782 PolarHBondContact O-N 3.4Å; A779-L782 PolarHBondContact O-N 2.85Å; R780-L782 PolarHBondContact O-N 3.44Å; L782-Q785 PolarHBondContact O-N 3.48Å; L782-L787 HydrophobicContact CD2-CD1 4.05Å; L782-I810 HydrophobicContact CD1-CG2 3.57Å; L782-I810 HydrophobicContact CD2-CG2 4.1Å; L782-I810 HydrophobicContact CG-CG2 4.47Å; L782-F814 HydrophobicContact CD1-CE2 3.62Å; L782-F814 HydrophobicContact CD1-CZ 3.66Å
783	L	94.4	Very high	87.4	Confident	3 Å²	3	50.2 Å²	50.2	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-67.2	-38.6	175	-68.9	173	0	0	0	112.1	V622 V684 L752 I755 A779 R780 S781 Q785 K786	V622-L783 HydrophobicContact CG1-CB 4.24Å; V684-L783 HydrophobicContact CB-CD1 4.07Å; V684-L783 HydrophobicContact CG1-CD1 3.64Å; L752-L783 HydrophobicContact CG-CD2 4.07Å; I755-L783 HydrophobicContact CD1-CG 4.4Å; I755-L783 HydrophobicContact CG1-CD2 4.43Å; A779-L783 WeakPolarHBondContact O-CG 3.41Å; A779-L783 PolarHBondContact O-N 3.49Å; A779-L783 VanDerWaalsContact O-N 3.08Å; R780-L783 PolarHBondContact O-N 3.02Å; S781-L783 VanDerWaalsContact C-N 3.34Å; S781-L783 PolarHBondContact O-N 2.93Å; L783-Q785 PolarHBondContact O-N 3.09Å; L783-K786 PolarHBondContact O-N 2.83Å; L783-K786 VanDerWaalsContact O-N 3.12Å
784	A	93.1	Very high	85.5	Confident	59 Å²	59	49.9 Å²	49.9	49%	0.488	27%	0.273	S	S	.	.	H	α-helix	trans	-62.3	-29.2	177.2	0	0	0	0	0	113.1	R780 S781 K786	R780-A784 PolarHBondContact O-N 3.33Å; S781-A784 WeakPolarHBondContact O-CB 3.28Å; S781-A784 PolarHBondContact O-N 3.3Å; A784-K786 PolarHBondContact O-N 2.69Å
785	Q	92.5	Very high	83.2	Confident	108 Å²	108	53.6 Å²	53.6	51%	0.505	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-12.3	176.9	-67.6	170.1	33.4	0	0	113.9	S781 L782 L783 L787	S781-Q785 WeakPolarHBondContact O-CG 3.36Å; S781-Q785 PolarHBondContact O-N 2.66Å; L782-Q785 PolarHBondContact O-N 3.48Å; L783-Q785 PolarHBondContact O-N 3.09Å; Q785-L787 HydrophobicContact CB-CD2 3.95Å; Q785-L787 HydrophobicContact CB-CG 3.88Å; Q785-L787 PolarHBondContact O-N 2.88Å
786	K	90.5	Very high	80.8	Confident	91 Å²	91	62.1 Å²	62.1	40%	0.396	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	38.6	178.9	-56.2	-178.2	176.5	-179.9	0	113.5	P621 L783 A784 I788	P621-K786 WeakPolarHBondContact O-CE 3.36Å; P621-K786 PolarHBondContact O-NZ 3.49Å; L783-K786 PolarHBondContact O-N 2.83Å; L783-K786 VanDerWaalsContact O-N 3.12Å; A784-K786 PolarHBondContact O-N 2.69Å; K786-I788 PolarHBondContact O-N 3.34Å
787	L	90.6	Very high	78.4	Confident	23 Å²	23	68.9 Å²	68.9	12%	0.12	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-57	132.7	-175.3	-61.4	173.8	0	0	0	112.4	R751 L752 L782 Q785 I789 I810	R751-L787 CarbonylContact C-O 3.55Å; R751-L787 WeakPolarHBondContact CA-O 3.46Å; L752-L787 HydrophobicContact CB-CB 4.47Å; L752-L787 HydrophobicContact CD2-CD1 4.5Å; L752-L787 PolarHBondContact N-O 3.48Å; L782-L787 HydrophobicContact CD2-CD1 4.05Å; Q785-L787 HydrophobicContact CB-CD2 3.95Å; Q785-L787 HydrophobicContact CB-CG 3.88Å; Q785-L787 PolarHBondContact O-N 2.88Å; L787-I789 HydrophobicContact CB-CD1 4.37Å; L787-I810 HydrophobicContact CD1-CD1 3.99Å
788	I	89.4	Confident	75.8	Confident	108 Å²	108	70.1 Å²	70.1	55%	0.554	38%	0.378	S	S	*	.	B	Isolated β-bridge	trans	-97.5	126	166.4	-68	171.3	0	0	0	107.7	D749 R751 K786	D749-I788 WeakPolarHBondContact O-CG2 3.18Å; R751-I788 HydrophobicContact CB-CG1 4.4Å; K786-I788 PolarHBondContact O-N 3.34Å
789	I	86.7	Confident	73.4	Confident	2 Å²	2	74.6 Å²	74.6	1%	0.01	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-101.5	120.5	-177.1	-57.8	-58.8	0	0	0	109.6	L745 K750 L787 L791 N805 L807 I810	L745-I789 HydrophobicContact CD1-CB 4.4Å; L745-I789 HydrophobicContact CD2-CB 4.3Å; L745-I789 HydrophobicContact CD2-CG1 3.81Å; K750-I789 WeakPolarHBondContact CB-O 3.34Å; K750-I789 VanDerWaalsContact CD-O 3.3Å; K750-I789 WeakPolarHBondContact CD-O 3.42Å; K750-I789 PolarHBondContact O-N 2.79Å; L787-I789 HydrophobicContact CB-CD1 4.37Å; I789-L791 HydrophobicContact CG2-CD2 4.05Å; I789-L791 HydrophobicContact CG2-CG 4.39Å; I789-L791 PolarHBondContact O-N 3.15Å; I789-N805 HydrophobicContact CD1-CB 4.04Å; I789-L807 HydrophobicContact CD1-CD2 3.84Å; I789-L807 HydrophobicContact CD1-CG 4.18Å; I789-L807 HydrophobicContact CG1-CD2 3.91Å; I789-L807 HydrophobicContact CG1-CG 4.15Å; I789-L807 HydrophobicContact CG2-CD1 3.76Å; I789-L807 HydrophobicContact CG2-CD2 4.35Å; I789-L807 HydrophobicContact CG2-CG 3.63Å; I789-I810 HydrophobicContact CD1-CD1 4.01Å
790	D	79.6	Confident	71	Confident	68 Å²	68	83 Å²	83	36%	0.364	44%	0.441	S	S	.	.			trans	-79.6	106.2	169.7	-173.6	4.3	0	0	0	110.5	D792 N793	D790-D792 PolarHBondContact OD1-N 2.96Å; D790-N793 PolarHBondContact OD2-ND2 3.49Å
791	L	71.8	Confident	68.5	Low	22 Å²	22	85.2 Å²	85.2	12%	0.115	46%	0.456	C	S	.	.			trans	-82.6	-13.4	175.9	-65.3	172.6	0	0	0	113.3	L693 R695 L745 K750 I789 S794 L807	L693-L791 HydrophobicContact CD1-CD1 4.29Å; R695-L791 HydrophobicContact CG-CD2 4.15Å; L745-L791 HydrophobicContact CD1-CD1 4.06Å; L745-L791 HydrophobicContact CD1-CD2 4.1Å; L745-L791 HydrophobicContact CD1-CG 4.35Å; K750-L791 HydrophobicContact CD-CB 4.06Å; K750-L791 HydrophobicContact CD-CD1 3.98Å; K750-L791 HydrophobicContact CD-CG 3.98Å; K750-L791 HydrophobicContact CG-CD1 4.15Å; I789-L791 HydrophobicContact CG2-CD2 4.05Å; I789-L791 HydrophobicContact CG2-CG 4.39Å; I789-L791 PolarHBondContact O-N 3.15Å; L791-S794 PolarHBondContact O-OG 3.18Å; L791-S794 VanDerWaalsContact O-OG 3.04Å; L791-L807 HydrophobicContact CD2-CD1 4.34Å
792	D	65.1	Low	66.2	Low	122 Å²	122	87.6 Å²	87.6	65%	0.652	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-23.2	-170.7	-58.5	-25.4	0	0	0	111.6	K750 D790 S794	K750-D792 IonicContact NZ-OD1 3.99Å; K750-D792 PolarHBondContact NZ-OD1 3.12Å; K750-D792 IonicContact NZ-OD2 3.79Å; K750-D792 PolarHBondContact NZ-OD2 3.22Å; D790-D792 PolarHBondContact OD1-N 2.96Å; D792-S794 VanDerWaalsContact C-N 3.33Å
793	N	49.3	Very low	63.8	Low	87 Å²	87	96.5 Å²	96.5	47%	0.465	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-0.9	173.9	-79.4	-39.3	0	0	0	114.3	D790 T795	D790-N793 PolarHBondContact OD2-ND2 3.49Å; N793-T795 PolarHBondContact O-N 3.49Å
794	S	44.9	Very low	61.6	Low	64 Å²	64	97.6 Å²	97.6	45%	0.448	52%	0.516	S	S	.	.			trans	-85	29.9	177.7	79.9	0	0	0	0	113.5	L791 D792 E796	L791-S794 PolarHBondContact O-OG 3.18Å; L791-S794 VanDerWaalsContact O-OG 3.04Å; D792-S794 VanDerWaalsContact C-N 3.33Å; S794-E796 PolarHBondContact O-N 3.17Å; S794-E796 VanDerWaalsContact O-N 3.16Å
795	T	42.8	Very low	60	Low	102 Å²	102	98.4 Å²	98.4	63%	0.626	51%	0.512	S	S	*	.			trans	-59.4	115.4	155.3	38.1	0	0	0	0	106.9	N793 N797	N793-T795 PolarHBondContact O-N 3.49Å; T795-N797 PolarHBondContact O-N 2.95Å
796	E	44.6	Very low	59.2	Low	190 Å²	190	95.6 Å²	95.6	89%	0.888	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	4	-156.6	-72.3	176.2	142.2	0	0	118.5	S794	S794-E796 PolarHBondContact O-N 3.17Å; S794-E796 VanDerWaalsContact O-N 3.16Å
797	N	43.1	Very low	59	Low	151 Å²	151	91.7 Å²	91.7	81%	0.807	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.9	0.9	-171.3	-71.9	-22.5	0	0	0	117.1	T795 L799	T795-N797 PolarHBondContact O-N 2.95Å; N797-L799 PolarHBondContact O-N 3.4Å
798	N	39.2	Very low	58.7	Low	119 Å²	119	97.9 Å²	97.9	64%	0.636	51%	0.506	S	S	*	.			trans	-98.1	82.2	175.5	-80	-14.3	0	0	0	111.6	E800	N798-E800 PolarHBondContact O-N 2.77Å
799	L	44.7	Very low	58.5	Low	140 Å²	140	97.1 Å²	97.1	73%	0.733	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-6.8	173.5	-149.9	75	0	0	0	113	N797	N797-L799 PolarHBondContact O-N 3.4Å
800	E	43.7	Very low	58.8	Low	178 Å²	178	97.6 Å²	97.6	83%	0.832	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	4.6	-165.6	-66.3	-171	164.5	0	0	115.9	N798 P802	N798-E800 PolarHBondContact O-N 2.77Å; E800-P802 VanDerWaalsContact C-CD 3.49Å; E800-P802 WeakPolarHBondContact O-CD 3.5Å
801	N	42.8	Very low	59.3	Low	87 Å²	87	94.5 Å²	94.5	47%	0.465	49%	0.486	S	S	.	.			trans	-103.9	86.3	176.9	-151.5	-5.5	0	0	0	112	K803 S804	N801-K803 PolarHBondContact O-N 2.87Å; N801-S804 PolarHBondContact O-N 3.2Å; N801-S804 PolarHBondContact O-OG 3.35Å; N801-S804 VanDerWaalsContact O-OG 3.1Å
802	P	46.3	Very low	60.1	Low	109 Å²	109	97.1 Å²	97.1	71%	0.708	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-7.6	-176.5	26.2	-35.3	0	0	0	114.2	E800	E800-P802 VanDerWaalsContact C-CD 3.49Å; E800-P802 WeakPolarHBondContact O-CD 3.5Å
803	K	44.3	Very low	61.4	Low	193 Å²	193	95.9 Å²	95.9	84%	0.839	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-11.3	178.6	-73	-173	177	-179.4	0	114.7	N801	N801-K803 PolarHBondContact O-N 2.87Å
804	S	49.4	Very low	63.4	Low	26 Å²	26	91.8 Å²	91.8	18%	0.182	48%	0.475	C	S	.	.	S	Bend	trans	-82	119.4	171.7	61.3	0	0	0	0	108.3	N801 N806	N801-S804 PolarHBondContact O-N 3.2Å; N801-S804 PolarHBondContact O-OG 3.35Å; N801-S804 VanDerWaalsContact O-OG 3.1Å; S804-N806 PolarHBondContact O-N 2.9Å
805	N	59	Low	65.6	Low	77 Å²	77	89.2 Å²	89.2	41%	0.412	46%	0.456	S	S	.	.			trans	-58.1	83.5	173	-74.3	-25.9	0	0	0	110.1	I789 L807	I789-N805 HydrophobicContact CD1-CB 4.04Å; N805-L807 PolarHBondContact O-N 3.16Å
806	N	76.3	Confident	67.7	Low	49 Å²	49	84.7 Å²	84.7	26%	0.262	43%	0.428	S	S	.	.			trans	-78.8	114.5	-176.5	-169.3	-20	0	0	0	107.4	S804 R808 Q809 I810	S804-N806 PolarHBondContact O-N 2.9Å; N806-R808 PolarHBondContact O-N 3.28Å; N806-R808 WeakPolarHBondContact OD1-CB 3.47Å; N806-R808 PolarHBondContact OD1-N 3.06Å; N806-R808 VanDerWaalsContact OD1-N 3.13Å; N806-Q809 HydrophobicContact CB-CG 4.29Å; N806-Q809 WeakPolarHBondContact O-CB 3.26Å; N806-Q809 PolarHBondContact O-N 2.94Å; N806-I810 PolarHBondContact O-N 2.69Å
807	L	85.9	Confident	69.5	Low	8 Å²	8	82 Å²	82	4%	0.042	41%	0.411	C	S	.	.	H	α-helix	trans	-51.9	-25.8	177.5	-80.6	174.7	0	0	0	113	R695 F697 F743 L745 I789 L791 N805 I810 A811	R695-L807 HydrophobicContact CB-CD1 3.75Å; R695-L807 HydrophobicContact CG-CD1 3.82Å; F697-L807 HydrophobicContact CE2-CB 3.69Å; F697-L807 HydrophobicContact CZ-CB 3.69Å; F743-L807 HydrophobicContact CB-CD2 4.12Å; F743-L807 HydrophobicContact CD1-CD2 4.06Å; F743-L807 HydrophobicContact CD2-CD2 3.81Å; F743-L807 HydrophobicContact CE1-CD2 4.45Å; F743-L807 HydrophobicContact CE2-CD2 4.19Å; F743-L807 HydrophobicContact CG-CD2 3.72Å; L745-L807 HydrophobicContact CD1-CD1 4.19Å; I789-L807 HydrophobicContact CD1-CD2 3.84Å; I789-L807 HydrophobicContact CD1-CG 4.18Å; I789-L807 HydrophobicContact CG1-CD2 3.91Å; I789-L807 HydrophobicContact CG1-CG 4.15Å; I789-L807 HydrophobicContact CG2-CD1 3.76Å; I789-L807 HydrophobicContact CG2-CD2 4.35Å; I789-L807 HydrophobicContact CG2-CG 3.63Å; L791-L807 HydrophobicContact CD2-CD1 4.34Å; N805-L807 PolarHBondContact O-N 3.16Å; L807-I810 HydrophobicContact CD2-CD1 4.34Å; L807-I810 PolarHBondContact O-N 2.63Å; L807-A811 VanDerWaalsContact O-CB 3.31Å; L807-A811 WeakPolarHBondContact O-CB 3.35Å; L807-A811 PolarHBondContact O-N 3.44Å
808	R	84.1	Confident	71.5	Confident	154 Å²	154	75.4 Å²	75.4	58%	0.581	38%	0.378	S	S	*	.	H	α-helix	trans	-64.7	-40.8	174.4	-167	176.7	-174	-161.5	0.1	112.7	F697 N806 A811 S812	F697-R808 HydrophobicContact CD1-CG 4.39Å; F697-R808 HydrophobicContact CE1-CB 3.8Å; F697-R808 HydrophobicContact CE1-CG 4.07Å; F697-R808 HydrophobicContact CZ-CB 4.34Å; N806-R808 PolarHBondContact O-N 3.28Å; N806-R808 WeakPolarHBondContact OD1-CB 3.47Å; N806-R808 PolarHBondContact OD1-N 3.06Å; N806-R808 VanDerWaalsContact OD1-N 3.13Å; R808-A811 WeakPolarHBondContact O-CB 3.38Å; R808-A811 PolarHBondContact O-N 3.48Å; R808-S812 PolarHBondContact O-N 2.86Å; R808-S812 VanDerWaalsContact O-N 3.07Å
809	Q	85.9	Confident	73.7	Confident	92 Å²	92	75.6 Å²	75.6	43%	0.43	38%	0.375	S	S	.	.	H	α-helix	trans	-69.9	-36	175	-69.2	176.6	-12.4	0	0	111.4	N806 A811 S812	N806-Q809 HydrophobicContact CB-CG 4.29Å; N806-Q809 WeakPolarHBondContact O-CB 3.26Å; N806-Q809 PolarHBondContact O-N 2.94Å; Q809-A811 VanDerWaalsContact C-N 3.33Å; Q809-S812 PolarHBondContact O-OG 3.21Å
810	I	91.4	Very high	75.6	Confident	11 Å²	11	72.7 Å²	72.7	6%	0.056	36%	0.359	C	S	.	.	H	α-helix	trans	-66.5	-40.9	173.7	-61.1	174.2	0	0	0	109.7	F743 L782 L787 I789 N806 L807 S812 Q813 F814	F743-I810 HydrophobicContact CE1-CG2 3.79Å; F743-I810 HydrophobicContact CZ-CB 4.33Å; F743-I810 HydrophobicContact CZ-CG2 3.83Å; L782-I810 HydrophobicContact CD1-CG2 3.57Å; L782-I810 HydrophobicContact CD2-CG2 4.1Å; L782-I810 HydrophobicContact CG-CG2 4.47Å; L787-I810 HydrophobicContact CD1-CD1 3.99Å; I789-I810 HydrophobicContact CD1-CD1 4.01Å; N806-I810 PolarHBondContact O-N 2.69Å; L807-I810 HydrophobicContact CD2-CD1 4.34Å; L807-I810 PolarHBondContact O-N 2.63Å; I810-S812 PolarHBondContact O-N 3.24Å; I810-Q813 WeakPolarHBondContact O-CB 3.46Å; I810-Q813 PolarHBondContact O-N 2.98Å; I810-F814 HydrophobicContact CG2-CE2 4.41Å; I810-F814 WeakPolarHBondContact O-CD2 3.47Å
811	A	91.3	Very high	77.5	Confident	4 Å²	4	65.7 Å²	65.7	3%	0.033	33%	0.332	C	S	.	.	H	α-helix	trans	-59.1	-47	176.6	0	0	0	0	0	111.4	F697 V741 F743 L807 R808 Q809 Q813 F814 L816	F697-A811 HydrophobicContact CB-CB 3.88Å; F697-A811 HydrophobicContact CD1-CB 4.23Å; F697-A811 HydrophobicContact CD2-CB 3.87Å; F697-A811 HydrophobicContact CG-CB 3.72Å; V741-A811 HydrophobicContact CG1-CB 3.71Å; F743-A811 HydrophobicContact CE2-CB 4Å; F743-A811 HydrophobicContact CZ-CB 4.25Å; L807-A811 VanDerWaalsContact O-CB 3.31Å; L807-A811 WeakPolarHBondContact O-CB 3.35Å; L807-A811 PolarHBondContact O-N 3.44Å; R808-A811 WeakPolarHBondContact O-CB 3.38Å; R808-A811 PolarHBondContact O-N 3.48Å; Q809-A811 VanDerWaalsContact C-N 3.33Å; A811-Q813 PolarHBondContact O-N 3.36Å; A811-Q813 VanDerWaalsContact O-N 3.11Å; A811-F814 WeakPolarHBondContact O-CB 3.2Å; A811-F814 PolarHBondContact O-N 3.36Å; A811-L816 HydrophobicContact CB-CD1 4.42Å; A811-L816 WeakPolarHBondContact O-CD1 3.35Å
812	S	88.6	Confident	79.5	Confident	76 Å²	76	67.2 Å²	67.2	53%	0.531	34%	0.336	S	S	.	.	H	α-helix	trans	-59.7	-25.4	-178.6	57.1	0	0	0	0	113.9	R808 Q809 I810 F814 D815	R808-S812 PolarHBondContact O-N 2.86Å; R808-S812 VanDerWaalsContact O-N 3.07Å; Q809-S812 PolarHBondContact O-OG 3.21Å; I810-S812 PolarHBondContact O-N 3.24Å; S812-F814 PolarHBondContact O-N 3.45Å; S812-D815 PolarHBondContact O-N 3.1Å; S812-D815 VanDerWaalsContact O-N 3.13Å
813	Q	91.3	Very high	81.6	Confident	97 Å²	97	67.5 Å²	67.5	45%	0.453	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.3	175.2	-62.7	172.4	16.2	0	0	113.4	L778 I810 A811 D815	L778-Q813 HydrophobicContact CD2-CB 3.86Å; L778-Q813 WeakPolarHBondContact CD2-O 3.41Å; I810-Q813 WeakPolarHBondContact O-CB 3.46Å; I810-Q813 PolarHBondContact O-N 2.98Å; A811-Q813 PolarHBondContact O-N 3.36Å; A811-Q813 VanDerWaalsContact O-N 3.11Å; Q813-D815 PolarHBondContact O-N 2.95Å
814	F	93.2	Very high	83.7	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	4.9	176.8	-71.7	-87.4	0	0	0	113.6	V741 F743 I755 L757 R775 L778 A779 L782 I810 A811 S812 L816	V741-F814 HydrophobicContact CG2-CD2 4.24Å; V741-F814 HydrophobicContact CG2-CE2 4.29Å; F743-F814 HydrophobicContact CE1-CE2 4.16Å; F743-F814 HydrophobicContact CZ-CE2 4.22Å; I755-F814 HydrophobicContact CD1-CZ 4.18Å; I755-F814 HydrophobicContact CG2-CE1 4.48Å; I755-F814 HydrophobicContact CG2-CZ 4.06Å; L757-F814 HydrophobicContact CD2-CD1 3.53Å; L757-F814 HydrophobicContact CD2-CE1 3.62Å; L757-F814 HydrophobicContact CD2-CG 4.36Å; R775-F814 HydrophobicContact CB-CD1 4.12Å; R775-F814 HydrophobicContact CG-CD1 4.36Å; R775-F814 PolarHBondContact NE-O 3.17Å; R775-F814 WeakPolarHBondContact O-CE1 3.46Å; L778-F814 HydrophobicContact CB-CE1 4.31Å; L778-F814 HydrophobicContact CD2-CD1 3.88Å; L778-F814 HydrophobicContact CD2-CD2 4.16Å; L778-F814 HydrophobicContact CD2-CE1 3.9Å; L778-F814 HydrophobicContact CD2-CE2 4.17Å; L778-F814 HydrophobicContact CD2-CG 4.02Å; L778-F814 HydrophobicContact CD2-CZ 4.06Å; L778-F814 HydrophobicContact CG-CE1 4.06Å; L778-F814 HydrophobicContact CG-CE2 4.48Å; L778-F814 HydrophobicContact CG-CZ 4.04Å; A779-F814 HydrophobicContact CB-CE1 4.04Å; A779-F814 HydrophobicContact CB-CZ 4.13Å; L782-F814 HydrophobicContact CD1-CE2 3.62Å; L782-F814 HydrophobicContact CD1-CZ 3.66Å; I810-F814 HydrophobicContact CG2-CE2 4.41Å; I810-F814 WeakPolarHBondContact O-CD2 3.47Å; A811-F814 WeakPolarHBondContact O-CB 3.2Å; A811-F814 PolarHBondContact O-N 3.36Å; S812-F814 PolarHBondContact O-N 3.45Å; F814-L816 HydrophobicContact CB-CD1 3.81Å; F814-L816 PolarHBondContact O-N 3.01Å
815	D	90.7	Very high	85.5	Confident	10 Å²	10	61.2 Å²	61.2	5%	0.053	31%	0.311	C	S	.	.			trans	54	52.3	179.2	-171.6	37.7	0	0	0	112.2	I764 R775 S812 Q813 Y817 G818 E819 I820 A821	I764-D815 HydrophobicContact CG2-CB 4.23Å; I764-D815 WeakPolarHBondContact CG2-OD2 3.47Å; R775-D815 IonicContact NH2-OD2 2.73Å; S812-D815 PolarHBondContact O-N 3.1Å; S812-D815 VanDerWaalsContact O-N 3.13Å; Q813-D815 PolarHBondContact O-N 2.95Å; D815-Y817 PolarHBondContact O-N 3.43Å; D815-G818 PolarHBondContact O-N 3.29Å; D815-G818 VanDerWaalsContact OD1-C 3.26Å; D815-G818 VanDerWaalsContact OD1-CA 3.28Å; D815-G818 WeakPolarHBondContact OD1-CA 3.3Å; D815-G818 PolarHBondContact OD1-N 3.06Å; D815-G818 WeakPolarHBondContact OD2-CA 3.49Å; D815-E819 PolarHBondContact OD1-N 3.07Å; D815-I820 HydrophobicContact CB-CB 4.45Å; D815-I820 HydrophobicContact CB-CD1 4.13Å; D815-I820 HydrophobicContact CB-CG1 4.38Å; D815-I820 PolarHBondContact OD1-N 3.39Å; D815-I820 VanDerWaalsContact OD1-N 3.13Å; D815-A821 PolarHBondContact OD2-N 3.47Å
816	L	86.3	Confident	87.1	Confident	8 Å²	8	64 Å²	64	4%	0.042	32%	0.321	C	S	.	.	S	Bend	trans	-60.3	-36.3	-177.9	-86.4	77.9	0	0	0	112.1	F697 V741 M760 A811 F814	F697-L816 HydrophobicContact CB-CD2 4.07Å; F697-L816 WeakPolarHBondContact O-CD2 3.32Å; V741-L816 HydrophobicContact CG1-CD1 4.03Å; V741-L816 HydrophobicContact CG1-CD2 4.33Å; M760-L816 HydrophobicContact SD-CG 4.22Å; A811-L816 HydrophobicContact CB-CD1 4.42Å; A811-L816 WeakPolarHBondContact O-CD1 3.35Å; F814-L816 HydrophobicContact CB-CD1 3.81Å; F814-L816 PolarHBondContact O-N 3.01Å
817	Y	83.5	Confident	87.7	Confident	134 Å²	134	66 Å²	66	53%	0.525	33%	0.331	S	S	.	.	S	Bend	trans	-85.3	-17	-177.4	-62.1	-74.6	0	0	0	112.6	A699 D815	A699-Y817 HydrophobicContact CB-CD1 4.29Å; A699-Y817 HydrophobicContact CB-CE1 4.35Å; D815-Y817 PolarHBondContact O-N 3.43Å
818	G	83.7	Confident	87.9	Confident	12 Å²	12	68.2 Å²	68.2	12%	0.124	34%	0.341	C	S	.	.			trans	82	19.4	-179.2	0	0	0	0	0	113.8	D815 I820 A821 E822	D815-G818 PolarHBondContact O-N 3.29Å; D815-G818 VanDerWaalsContact OD1-C 3.26Å; D815-G818 VanDerWaalsContact OD1-CA 3.28Å; D815-G818 WeakPolarHBondContact OD1-CA 3.3Å; D815-G818 PolarHBondContact OD1-N 3.06Å; D815-G818 WeakPolarHBondContact OD2-CA 3.49Å; G818-I820 VanDerWaalsContact C-N 3.3Å; G818-I820 PolarHBondContact O-N 3.48Å; G818-A821 PolarHBondContact O-N 3.26Å; G818-A821 VanDerWaalsContact O-N 3.17Å; G818-E822 WeakPolarHBondContact O-CB 2.86Å; G818-E822 WeakPolarHBondContact O-CG 3.39Å; G818-E822 PolarHBondContact O-N 3.18Å
819	E	85.2	Confident	88.2	Confident	123 Å²	123	64.4 Å²	64.4	58%	0.575	33%	0.33	S	S	*	.	H	α-helix	trans	-58.6	-43.6	179	-67.4	173.3	-166.7	0	0	110.6	D815 A821 E822 D823	D815-E819 PolarHBondContact OD1-N 3.07Å; E819-A821 VanDerWaalsContact C-N 3.34Å; E819-A821 PolarHBondContact O-N 3.02Å; E819-E822 PolarHBondContact O-N 3.31Å; E819-D823 WeakPolarHBondContact O-CB 3.33Å; E819-D823 PolarHBondContact O-N 3.4Å
820	I	84.6	Confident	88.5	Confident	78 Å²	78	67.1 Å²	67.1	40%	0.4	34%	0.338	S	S	.	.	H	α-helix	trans	-66.7	-40	178.2	-59.3	177.8	0	0	0	110.4	I764 D815 G818 Y824	I764-I820 HydrophobicContact CG2-CB 3.92Å; I764-I820 HydrophobicContact CG2-CG2 3.75Å; D815-I820 HydrophobicContact CB-CB 4.45Å; D815-I820 HydrophobicContact CB-CD1 4.13Å; D815-I820 HydrophobicContact CB-CG1 4.38Å; D815-I820 PolarHBondContact OD1-N 3.39Å; D815-I820 VanDerWaalsContact OD1-N 3.13Å; G818-I820 VanDerWaalsContact C-N 3.3Å; G818-I820 PolarHBondContact O-N 3.48Å; I820-Y824 VanDerWaalsContact O-CB 3.25Å; I820-Y824 WeakPolarHBondContact O-CB 3.48Å; I820-Y824 PolarHBondContact O-N 2.99Å
821	A	83.1	Confident	88.4	Confident	31 Å²	31	69.4 Å²	69.4	26%	0.256	35%	0.349	S	S	.	.	H	α-helix	trans	-65.6	-38	177.2	0	0	0	0	0	112.4	D815 G818 E819 A825	D815-A821 PolarHBondContact OD2-N 3.47Å; G818-A821 PolarHBondContact O-N 3.26Å; G818-A821 VanDerWaalsContact O-N 3.17Å; E819-A821 VanDerWaalsContact C-N 3.34Å; E819-A821 PolarHBondContact O-N 3.02Å; A821-A825 WeakPolarHBondContact O-CB 3.44Å; A821-A825 PolarHBondContact O-N 2.98Å
822	E	86.7	Confident	88.3	Confident	120 Å²	120	76.4 Å²	76.4	56%	0.561	38%	0.375	S	S	*	.	H	α-helix	trans	-67.8	-49.1	175.6	-74.8	178.3	-174.5	0	0	111.7	G818 E819 Y824 A825 H826	G818-E822 WeakPolarHBondContact O-CB 2.86Å; G818-E822 WeakPolarHBondContact O-CG 3.39Å; G818-E822 PolarHBondContact O-N 3.18Å; E819-E822 PolarHBondContact O-N 3.31Å; E822-Y824 VanDerWaalsContact C-N 3.26Å; E822-Y824 PolarHBondContact O-N 2.77Å; E822-A825 WeakPolarHBondContact O-CB 3.41Å; E822-A825 PolarHBondContact O-N 3.43Å; E822-H826 PolarHBondContact O-CD2 3.41Å; E822-H826 PolarHBondContact O-N 2.7Å
823	D	88.5	Confident	88.5	Confident	115 Å²	115	79.8 Å²	79.8	62%	0.615	38%	0.376	S	S	*	.	H	α-helix	trans	-57.9	-41.2	175.8	-77.8	-16.1	0	0	0	111.4	E819 H826 L827	E819-D823 WeakPolarHBondContact O-CB 3.33Å; E819-D823 PolarHBondContact O-N 3.4Å; D823-H826 PolarHBondContact O-N 3.07Å; D823-L827 WeakPolarHBondContact O-CB 3.45Å; D823-L827 PolarHBondContact O-N 3.03Å
824	Y	88.7	Confident	88.6	Confident	33 Å²	33	80.3 Å²	80.3	13%	0.129	38%	0.376	C	S	.	.	H	α-helix	trans	-64.8	-42	175.3	-169.6	-94.6	0	0	0	112.3	Y765 D767 Y770 I820 E822 H826 L827 Q828	Y765-Y824 HydrophobicContact CD1-CD1 4.39Å; Y765-Y824 HydrophobicContact CD1-CD2 4.21Å; Y765-Y824 AromaticContact CD1-CG 3.99Å; Y765-Y824 HydrophobicContact CD1-CG 3.99Å; Y765-Y824 AromaticContact CD2-CD1 3.53Å; Y765-Y824 HydrophobicContact CD2-CD1 3.53Å; Y765-Y824 HydrophobicContact CD2-CD2 4.19Å; Y765-Y824 AromaticContact CD2-CE1 3.46Å; Y765-Y824 HydrophobicContact CD2-CE1 3.46Å; Y765-Y824 VanDerWaalsContact CD2-CE1 3.46Å; Y765-Y824 HydrophobicContact CD2-CE2 4.12Å; Y765-Y824 AromaticContact CD2-CG 3.89Å; Y765-Y824 HydrophobicContact CD2-CG 3.89Å; Y765-Y824 AromaticContact CD2-CZ 3.74Å; Y765-Y824 AromaticContact CE1-CD2 3.95Å; Y765-Y824 HydrophobicContact CE1-CD2 3.95Å; Y765-Y824 HydrophobicContact CE1-CE2 4.27Å; Y765-Y824 HydrophobicContact CE1-CG 4.2Å; Y765-Y824 HydrophobicContact CE2-CD1 4.01Å; Y765-Y824 AromaticContact CE2-CD2 3.94Å; Y765-Y824 HydrophobicContact CE2-CD2 3.94Å; Y765-Y824 AromaticContact CE2-CE1 3.65Å; Y765-Y824 HydrophobicContact CE2-CE1 3.65Å; Y765-Y824 AromaticContact CE2-CE2 3.56Å; Y765-Y824 HydrophobicContact CE2-CE2 3.56Å; Y765-Y824 HydrophobicContact CE2-CG 4.13Å; Y765-Y824 AromaticContact CE2-CZ 3.38Å; Y765-Y824 AromaticContact CG-CD1 3.76Å; Y765-Y824 HydrophobicContact CG-CD1 3.76Å; Y765-Y824 HydrophobicContact CG-CD2 4.33Å; Y765-Y824 HydrophobicContact CG-CE1 4.18Å; Y765-Y824 AromaticContact CG-CG 3.83Å; Y765-Y824 HydrophobicContact CG-CG 3.83Å; Y765-Y824 AromaticContact CZ-CD2 3.8Å; Y765-Y824 AromaticContact CZ-CE2 3.64Å; Y765-Y824 AromaticContact CZ-CZ 3.98Å; D767-Y824 HydrophobicContact CB-CE1 3.82Å; D767-Y824 WeakPolarHBondContact CB-OH 3.5Å; D767-Y824 VanDerWaalsContact CG-OH 3.24Å; D767-Y824 PolarHBondContact OD2-OH 3.04Å; Y770-Y824 WeakPolarHBondContact CB-OH 3.43Å; I820-Y824 VanDerWaalsContact O-CB 3.25Å; I820-Y824 WeakPolarHBondContact O-CB 3.48Å; I820-Y824 PolarHBondContact O-N 2.99Å; E822-Y824 VanDerWaalsContact C-N 3.26Å; E822-Y824 PolarHBondContact O-N 2.77Å; Y824-H826 VanDerWaalsContact C-N 3.3Å; Y824-H826 PolarHBondContact O-N 3.44Å; Y824-L827 WeakPolarHBondContact O-CB 3.49Å; Y824-L827 PolarHBondContact O-N 3.04Å; Y824-Q828 HydrophobicContact CD1-CG 3.94Å; Y824-Q828 HydrophobicContact CE1-CG 3.57Å; Y824-Q828 VanDerWaalsContact CZ-NE2 3.3Å; Y824-Q828 WeakPolarHBondContact O-CG 3.47Å; Y824-Q828 PolarHBondContact O-N 3.18Å; Y824-Q828 PolarHBondContact OH-NE2 2.67Å
825	A	88.7	Confident	88.4	Confident	54 Å²	54	86.4 Å²	86.4	45%	0.446	40%	0.403	S	S	.	.	H	α-helix	trans	-62.4	-39.2	175.4	0	0	0	0	0	111.7	A821 E822 Q828 E829	A821-A825 WeakPolarHBondContact O-CB 3.44Å; A821-A825 PolarHBondContact O-N 2.98Å; E822-A825 WeakPolarHBondContact O-CB 3.41Å; E822-A825 PolarHBondContact O-N 3.43Å; A825-Q828 PolarHBondContact O-N 3.11Å; A825-E829 PolarHBondContact O-N 3.47Å
826	H	91.6	Very high	88.3	Confident	136 Å²	136	89.5 Å²	89.5	63%	0.63	42%	0.419	S	S	*	.	H	α-helix	trans	-64.7	-41.4	174.8	-76.5	-145.4	0	0	0	111.7	E822 D823 Y824 E829 Y830	E822-H826 PolarHBondContact O-CD2 3.41Å; E822-H826 PolarHBondContact O-N 2.7Å; D823-H826 PolarHBondContact O-N 3.07Å; Y824-H826 VanDerWaalsContact C-N 3.3Å; Y824-H826 PolarHBondContact O-N 3.44Å; H826-E829 PolarHBondContact O-N 3.2Å; H826-Y830 PolarHBondContact O-N 3.39Å
827	L	89.3	Confident	88.5	Confident	89 Å²	89	93.8 Å²	93.8	47%	0.466	44%	0.442	S	S	.	.	H	α-helix	trans	-61.7	-43.8	174.5	-175.7	73.5	0	0	0	111.8	D823 Y824 Y830 I831	D823-L827 WeakPolarHBondContact O-CB 3.45Å; D823-L827 PolarHBondContact O-N 3.03Å; Y824-L827 WeakPolarHBondContact O-CB 3.49Å; Y824-L827 PolarHBondContact O-N 3.04Å; L827-Y830 WeakPolarHBondContact O-CB 3.15Å; L827-Y830 PolarHBondContact O-N 2.77Å; L827-I831 HydrophobicContact CG-CD1 4.07Å; L827-I831 WeakPolarHBondContact O-CG1 3.16Å; L827-I831 PolarHBondContact O-N 2.95Å
828	Q	88.8	Confident	88.7	Confident	56 Å²	56	92 Å²	92	26%	0.262	44%	0.439	S	S	.	.	H	α-helix	trans	-62.2	-43.3	177.7	-75.2	-67.8	-25.5	0	0	112.1	D767 Y824 A825 Y830 I831 R832	D767-Q828 VanDerWaalsContact OD2-CD 3.31Å; D767-Q828 PolarHBondContact OD2-NE2 2.69Å; Y824-Q828 HydrophobicContact CD1-CG 3.94Å; Y824-Q828 HydrophobicContact CE1-CG 3.57Å; Y824-Q828 VanDerWaalsContact CZ-NE2 3.3Å; Y824-Q828 WeakPolarHBondContact O-CG 3.47Å; Y824-Q828 PolarHBondContact O-N 3.18Å; Y824-Q828 PolarHBondContact OH-NE2 2.67Å; A825-Q828 PolarHBondContact O-N 3.11Å; Q828-Y830 VanDerWaalsContact C-N 3.33Å; Q828-Y830 PolarHBondContact O-N 3.13Å; Q828-I831 PolarHBondContact O-N 3.49Å; Q828-R832 WeakPolarHBondContact O-CB 3.37Å; Q828-R832 PolarHBondContact O-N 3.04Å
829	E	91	Very high	88.7	Confident	73 Å²	73	96 Å²	96	34%	0.341	46%	0.457	S	S	.	.	H	α-helix	trans	-64.5	-38.2	175.9	179.4	58.4	-165.4	0	0	111.6	A825 H826 R832 R833	A825-E829 PolarHBondContact O-N 3.47Å; H826-E829 PolarHBondContact O-N 3.2Å; E829-R832 PolarHBondContact O-N 3.48Å; E829-R832 IonicContact OE2-NE 3.5Å; E829-R833 WeakPolarHBondContact O-CG 3.49Å; E829-R833 PolarHBondContact O-N 3.49Å; E829-R833 IonicContact OE1-CZ 3.67Å; E829-R833 VanDerWaalsContact OE1-CZ 3.3Å; E829-R833 IonicContact OE1-NE 2.77Å; E829-R833 PolarHBondContact OE1-NE 3.43Å; E829-R833 IonicContact OE1-NH2 2.67Å; E829-R833 PolarHBondContact OE1-NH2 3.5Å
830	Y	92.5	Very high	88.5	Confident	150 Å²	150	94.6 Å²	94.6	59%	0.588	45%	0.453	S	S	*	.	H	α-helix	trans	-62.3	-47	173.3	175.8	-97.9	0	0	0	112.4	H826 L827 Q828 R832 R833 K834	H826-Y830 PolarHBondContact O-N 3.39Å; L827-Y830 WeakPolarHBondContact O-CB 3.15Å; L827-Y830 PolarHBondContact O-N 2.77Å; Q828-Y830 VanDerWaalsContact C-N 3.33Å; Q828-Y830 PolarHBondContact O-N 3.13Å; Y830-R832 VanDerWaalsContact C-N 3.3Å; Y830-R832 PolarHBondContact O-N 3.29Å; Y830-R833 PolarHBondContact O-N 2.92Å; Y830-K834 PolarHBondContact O-N 3.31Å
831	I	89.1	Confident	88.2	Confident	58 Å²	58	95.8 Å²	95.8	30%	0.297	46%	0.461	S	S	.	.	H	α-helix	trans	-60.7	-41.8	177.3	-68.6	166.2	0	0	0	110.6	L827 Q828 K834 K835	L827-I831 HydrophobicContact CG-CD1 4.07Å; L827-I831 WeakPolarHBondContact O-CG1 3.16Å; L827-I831 PolarHBondContact O-N 2.95Å; Q828-I831 PolarHBondContact O-N 3.49Å; I831-K834 PolarHBondContact O-N 2.86Å; I831-K835 WeakPolarHBondContact O-CG 3.41Å; I831-K835 PolarHBondContact O-N 3.26Å; I831-K835 VanDerWaalsContact O-N 3.09Å
832	R	90.2	Very high	87.7	Confident	151 Å²	151	99.5 Å²	99.5	57%	0.57	48%	0.476	S	S	*	.	H	α-helix	trans	-62.5	-44.1	177.8	-179.7	-176.2	139.6	77	7.3	111.9	Q828 E829 Y830 K835 L836	Q828-R832 WeakPolarHBondContact O-CB 3.37Å; Q828-R832 PolarHBondContact O-N 3.04Å; E829-R832 PolarHBondContact O-N 3.48Å; E829-R832 IonicContact OE2-NE 3.5Å; Y830-R832 VanDerWaalsContact C-N 3.3Å; Y830-R832 PolarHBondContact O-N 3.29Å; R832-K835 PolarHBondContact O-N 3.31Å; R832-L836 WeakPolarHBondContact O-CG 3.45Å; R832-L836 PolarHBondContact O-N 3.32Å
833	R	92.8	Very high	86.5	Confident	147 Å²	147	98.8 Å²	98.8	56%	0.555	48%	0.476	S	S	*	.	H	α-helix	trans	-63.4	-45.1	176.7	-72.8	178.9	-168.2	169	5	111.9	E829 Y830 K835 L836 D837	E829-R833 WeakPolarHBondContact O-CG 3.49Å; E829-R833 PolarHBondContact O-N 3.49Å; E829-R833 IonicContact OE1-CZ 3.67Å; E829-R833 VanDerWaalsContact OE1-CZ 3.3Å; E829-R833 IonicContact OE1-NE 2.77Å; E829-R833 PolarHBondContact OE1-NE 3.43Å; E829-R833 IonicContact OE1-NH2 2.67Å; E829-R833 PolarHBondContact OE1-NH2 3.5Å; Y830-R833 PolarHBondContact O-N 2.92Å; R833-K835 VanDerWaalsContact C-N 3.31Å; R833-K835 PolarHBondContact O-N 3.32Å; R833-L836 WeakPolarHBondContact O-CB 3.25Å; R833-L836 PolarHBondContact O-N 2.85Å; R833-L836 VanDerWaalsContact O-N 3.1Å; R833-D837 PolarHBondContact O-N 3.42Å
834	K	91.7	Very high	85.2	Confident	108 Å²	108	98.8 Å²	98.8	47%	0.47	48%	0.476	S	S	.	.	H	α-helix	trans	-60	-40.3	178.6	-169.5	179.4	176.6	-175	0	112.6	Y830 I831 D837 E838	Y830-K834 PolarHBondContact O-N 3.31Å; I831-K834 PolarHBondContact O-N 2.86Å; K834-D837 PolarHBondContact O-N 3.18Å; K834-E838 WeakPolarHBondContact CE-OE1 3.31Å; K834-E838 WeakPolarHBondContact O-CG 3.49Å; K834-E838 PolarHBondContact O-N 3.29Å
835	K	89.5	Confident	83.5	Confident	129 Å²	129	103.3 Å²	103.3	56%	0.561	50%	0.503	S	S	*	.	H	α-helix	trans	-63	-40.8	174.4	-74.5	-178.6	178.3	-177.5	0	112.6	I831 R832 R833 D837 E838 D839	I831-K835 WeakPolarHBondContact O-CG 3.41Å; I831-K835 PolarHBondContact O-N 3.26Å; I831-K835 VanDerWaalsContact O-N 3.09Å; R832-K835 PolarHBondContact O-N 3.31Å; R833-K835 VanDerWaalsContact C-N 3.31Å; R833-K835 PolarHBondContact O-N 3.32Å; K835-D837 VanDerWaalsContact C-N 3.34Å; K835-E838 PolarHBondContact O-N 3.34Å; K835-D839 PolarHBondContact O-N 3.46Å
836	L	89.8	Confident	81.7	Confident	75 Å²	75	104.8 Å²	104.8	39%	0.393	51%	0.51	S	S	.	.	H	α-helix	trans	-64.6	-38.2	176.5	-72.1	167.4	0	0	0	112.2	R832 R833 D839 N840	R832-L836 WeakPolarHBondContact O-CG 3.45Å; R832-L836 PolarHBondContact O-N 3.32Å; R833-L836 WeakPolarHBondContact O-CB 3.25Å; R833-L836 PolarHBondContact O-N 2.85Å; R833-L836 VanDerWaalsContact O-N 3.1Å; L836-D839 PolarHBondContact O-N 3.03Å; L836-N840 WeakPolarHBondContact O-CB 3.46Å; L836-N840 PolarHBondContact O-N 3.23Å; L836-N840 PolarHBondContact O-ND2 3.18Å
837	D	90.3	Very high	79.8	Confident	97 Å²	97	103.6 Å²	103.6	52%	0.519	51%	0.512	S	S	.	.	H	α-helix	trans	-68	-38.1	176.6	-65.8	-23.7	0	0	0	111.8	R833 K834 K835 N841	R833-D837 PolarHBondContact O-N 3.42Å; K834-D837 PolarHBondContact O-N 3.18Å; K835-D837 VanDerWaalsContact C-N 3.34Å; D837-N841 WeakPolarHBondContact O-CB 3.48Å; D837-N841 PolarHBondContact O-N 2.84Å; D837-N841 PolarHBondContact O-ND2 2.82Å
838	E	86	Confident	77.9	Confident	98 Å²	98	108.1 Å²	108.1	46%	0.458	53%	0.528	S	S	.	.	H	α-helix	trans	-66.3	-41.7	174.1	-73.8	173.2	-173.5	0	0	112.1	K834 K835 N841 N842	K834-E838 WeakPolarHBondContact CE-OE1 3.31Å; K834-E838 WeakPolarHBondContact O-CG 3.49Å; K834-E838 PolarHBondContact O-N 3.29Å; K835-E838 PolarHBondContact O-N 3.34Å; E838-N841 PolarHBondContact O-N 2.87Å; E838-N842 PolarHBondContact O-N 2.8Å; E838-N842 VanDerWaalsContact O-N 3.07Å; E838-N842 PolarHBondContact O-ND2 2.73Å
839	D	84.3	Confident	75.8	Confident	94 Å²	94	110.7 Å²	110.7	50%	0.503	55%	0.552	S	S	.	*	H	α-helix	trans	-66.3	-39.4	176.6	-73.2	-21.6	0	0	0	112.1	K835 L836 N842 N843	K835-D839 PolarHBondContact O-N 3.46Å; L836-D839 PolarHBondContact O-N 3.03Å; D839-N842 PolarHBondContact O-N 2.67Å; D839-N843 PolarHBondContact O-N 2.97Å; D839-N843 VanDerWaalsContact O-N 3.17Å
840	N	82.3	Confident	73.4	Confident	94 Å²	94	111.9 Å²	111.9	50%	0.503	57%	0.569	S	S	.	*	H	α-helix	trans	-65.6	-44.8	176	-74.5	-24.1	0	0	0	111.7	L836 N842 N843 D844	L836-N840 WeakPolarHBondContact O-CB 3.46Å; L836-N840 PolarHBondContact O-N 3.23Å; L836-N840 PolarHBondContact O-ND2 3.18Å; N840-N842 VanDerWaalsContact C-N 3.3Å; N840-N842 PolarHBondContact O-N 3.41Å; N840-N843 PolarHBondContact O-N 3.41Å; N840-D844 PolarHBondContact O-N 3.22Å
841	N	78	Confident	71.2	Confident	103 Å²	103	110.9 Å²	110.9	55%	0.551	58%	0.578	S	S	*	*	H	α-helix	trans	-65.2	-31.6	177.9	-77.3	-26.7	0	0	0	113	D837 E838 N845	D837-N841 WeakPolarHBondContact O-CB 3.48Å; D837-N841 PolarHBondContact O-N 2.84Å; D837-N841 PolarHBondContact O-ND2 2.82Å; E838-N841 PolarHBondContact O-N 2.87Å; N841-N845 PolarHBondContact O-ND2 3.19Å
842	N	72	Confident	69.2	Low	110 Å²	110	115 Å²	115	59%	0.588	60%	0.601	S	S	*	*	H	α-helix	trans	-73.6	-34.2	176.4	-78.4	-25.8	0	0	0	112.7	E838 D839 N840	E838-N842 PolarHBondContact O-N 2.8Å; E838-N842 VanDerWaalsContact O-N 3.07Å; E838-N842 PolarHBondContact O-ND2 2.73Å; D839-N842 PolarHBondContact O-N 2.67Å; N840-N842 VanDerWaalsContact C-N 3.3Å; N840-N842 PolarHBondContact O-N 3.41Å
843	N	62.4	Low	67	Low	105 Å²	105	116 Å²	116	56%	0.561	62%	0.617	S	S	*	*	H	α-helix	trans	-68.6	-39.8	177	-82	-23.8	0	0	0	112.4	D839 N840 N845 S846	D839-N843 PolarHBondContact O-N 2.97Å; D839-N843 VanDerWaalsContact O-N 3.17Å; N840-N843 PolarHBondContact O-N 3.41Å; N843-N845 VanDerWaalsContact C-N 3.27Å; N843-N845 PolarHBondContact O-N 3.28Å; N843-S846 PolarHBondContact O-N 3.5Å; N843-S846 PolarHBondContact O-OG 3.16Å
844	D	60	Low	64.5	Low	114 Å²	114	118.3 Å²	118.3	61%	0.61	63%	0.631	S	S	*	*	H	α-helix	trans	-63.2	-33.7	178.9	-77.9	-14.3	0	0	0	112.3	N840 S846	N840-D844 PolarHBondContact O-N 3.22Å; D844-S846 VanDerWaalsContact C-N 3.33Å; D844-S846 PolarHBondContact O-N 2.71Å
845	N	53.3	Low	62.2	Low	129 Å²	129	119 Å²	119	69%	0.69	65%	0.647	S	S	*	*	H	α-helix	trans	-74.3	-18.4	178.8	-76.1	-26.4	0	0	0	114.4	N841 N843 T847	N841-N845 PolarHBondContact O-ND2 3.19Å; N843-N845 VanDerWaalsContact C-N 3.27Å; N843-N845 PolarHBondContact O-N 3.28Å; N845-T847 VanDerWaalsContact C-N 3.33Å
846	S	51.7	Low	60	Low	84 Å²	84	120.9 Å²	120.9	59%	0.587	66%	0.663	S	S	*	*	H	α-helix	trans	-79.3	-14	178.8	71.8	0	0	0	0	114	N843 D844	N843-S846 PolarHBondContact O-N 3.5Å; N843-S846 PolarHBondContact O-OG 3.16Å; D844-S846 VanDerWaalsContact C-N 3.33Å; D844-S846 PolarHBondContact O-N 2.71Å
847	T	50.3	Low	57.6	Low	111 Å²	111	130.7 Å²	130.7	68%	0.681	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-2.1	-177.6	-30.1	0	0	0	0	113.4	N845	N845-T847 VanDerWaalsContact C-N 3.33Å
848	F	50.3	Low	56	Low	185 Å²	185	132.4 Å²	132.4	81%	0.811	71%	0.712	S	S	*	*			trans	-104	4.4	-171.7	-105.2	-81.6	0	0	0	116.4	S850	F848-S850 PolarHBondContact O-N 2.97Å
849	S	43.5	Very low	54.4	Low	109 Å²	109	134.2 Å²	134.2	76%	0.762	73%	0.725	S	S	*	*			trans	-94.5	56.9	178.1	72.9	0	0	0	0	113.3
850	S	41.1	Very low	52.8	Low	99 Å²	99	136.4 Å²	136.4	69%	0.692	74%	0.738	S	S	*	*			trans	-160.4	62.1	164.2	71.3	0	0	0	0	113.9	F848	F848-S850 PolarHBondContact O-N 2.97Å
851	V	46.6	Very low	51	Low	129 Å²	129	138.9 Å²	138.9	78%	0.782	75%	0.751	S	S	*	*			trans	-145.2	97.4	160.3	-172.8	0	0	0	0	111.6
852	D	46.8	Very low	49.3	Very low	145 Å²	145	141.1 Å²	141.1	78%	0.775	76%	0.764	S	S	*	*			trans	50	98.3	133.1	-62.5	-24.8	0	0	0	120.9	K854	D852-K854 PolarHBondContact O-N 3.08Å
853	N	43.4	Very low	47.8	Very low	170 Å²	170	143.2 Å²	143.2	91%	0.909	78%	0.776	S	S	*	*			trans	-51.7	117.3	144.8	-75.5	-38.1	0	0	0	110.8
854	K	41	Very low	46.8	Very low	196 Å²	196	145.9 Å²	145.9	85%	0.852	79%	0.791	S	S	*	*			trans	-118.1	129.5	156.8	-104.9	179.7	179.3	172.3	0	109.4	D852	D852-K854 PolarHBondContact O-N 3.08Å
855	P	44.3	Very low	45.8	Very low	124 Å²	124	148.4 Å²	148.4	81%	0.805	81%	0.805	S	S	*	*			trans	-85.1	153.1	-167.9	34.5	-34.7	0	0	0	112.8
856	D	43	Very low	45.1	Very low	168 Å²	168	150 Å²	150	90%	0.898	81%	0.814	S	S	*	*			trans	-53.2	147.9	179.2	-71.1	-43.3	0	0	0	114.6
857	K	39.7	Very low	44.5	Very low	280 Å²	280	156 Å²	156	100%	1.217	84%	0.835	S	S	*	*			trans	-123.3	0	158.3	-116.9	-167.8	-175.7	-175.8	0	109.2

Retrieved 857 of 857 residues in 402.9 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).