A0A096NVA0_PAPAN Loading...

Dynein axonemal assembly factor 9

AlphaFold DB , UniProt , Accession A0A096NVA0, Species PAPAN (Papio anubis, Olive baboon), Gene DNAAF9, Length 1,177 aa.

						>A0A096NVA0_PAPAN|A0A096NVA0|DNAAF9
MDVYPARRLGLPRARSPGGSSRGSPSVSCSRLRQVQSILTQSSKSRPDGILCILGIDSRYNEGCRELANYLLFGLYNQNTSDFEKTGFSEEVLDDVIILIKSDSVHLYCNPVNFRYLLPYVAHWRNLHFHCMTENEYEDEEAAEEFKIASFVDMVRDCSRIGIPYSSQGHLQIFDMFVVEKWPIVQAFALEGIGGDGFFTMKYELQDVSLNLWNVYSKMDPMSLESLLSDDLVAFEHQWTSFFANFDTEIPFLLELSESQAGEPFRSYFSHGMISSHITENSPNRQPFVLFGNHSTRENLNAGNFNFPSEGHLVRSTGPGGSFAKHMVAQCVSPKGPLACSRTYFFGATHVPYLGGDSKLPKKTEQIRLLSQIYAAVIEAVVAGIACYAKTSSLTKAKEVAEQTLGSGLDSFELIPFKAALRSKMAFHIHAVNSQGRIVPLDSEDSLSFVKTACMTVYDIPDLLGGNGCLGSVVFSESFLTSQILVKENDGTVTTETCSIVLTAAVPRFCSWLVEDNEVKLSEKTQQAVRGDESFLGTFLTGGEGAYLYSSNLQSWPEEGNVHFFSSGLLFSHCRHGSIIISKDHMNSISFYDGDSTSTVAALLIDFKSSLLPHLPVHFHGSSSFLMIALFPKSKIYQAFYSEVFSLWQQQDNSGLSLKVIQEGGLSVEQKRLHSSAQKLFSALSQPAGEKRSSLKLLSAKLPELDWFLQHFAISSISQEPVMRTHLPVLLQQAEINPTHRVENDKVIISIVTGLPGCHASELCAFLVTLHKEYGRWMVYRQIMDSSECFHAAHFQRYLSNALEAQQNRSARQSAYIRKKTRLLVVLQGYTDVIDVVQALQTHPDSNVKASFTIGAITACVEPMSCYMEHRFLFPKCLDQCSQGLVSNVVFTSHTTEQRHPLLVQLQSLIRAANPAAAFILAENGIVTRNEDIELILSENSFSSPEMLRSRYLMYPGWYEGKLNAGSVYPLMVQICVWFGRPLEKTRFMAKCKAIQSSIKPSPFSGNIYHILGKVKFSDSERTMEVCYNTLANSLSIMPVLEGPTPPPDSKSISQDSSGQQECYLVFIGCSLKEDSIKDWLRQSAKQKPQRKALKTRGMLTQQEIRSIHVKRHLEPLPAGYFYNGTQFVNFFGDKTDFHPLMDQFMNDYVEEANREIEKYNRELEQQEYHDLFELKP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.6	Very low	24.6	Very low	235 Å²	235	168.2 Å²	168.2	100%	1.158	87%	0.866	S	S	*	*				0	104.5	0	-74.1	-172.5	-166.2	0	0	106.6
2	D	22.9	Very low	24.5	Very low	153 Å²	153	164.5 Å²	164.5	82%	0.818	86%	0.861	S	S	*	*			trans	-179.6	111.1	137.6	-91.4	-23.4	0	0	0	106.8	Y4	D2-Y4 PolarHBondContact O-N 3.05Å
3	V	24.6	Very low	24.2	Very low	141 Å²	141	170.2 Å²	170.2	86%	0.855	86%	0.864	S	S	*	*			trans	-80.1	112.4	-174.3	173.5	0	0	0	0	107.6
4	Y	22.3	Very low	24.2	Very low	219 Å²	219	164.6 Å²	164.6	86%	0.859	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-80.3	129.6	164.4	-86.1	-89.8	0	0	0	109.2	D2	D2-Y4 PolarHBondContact O-N 3.05Å
5	P	25.3	Very low	24.2	Very low	112 Å²	112	167.5 Å²	167.5	73%	0.727	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-74.3	142.1	-178.1	29.5	-32.5	0	0	0	111.3	R7	P5-R7 PolarHBondContact O-N 3.11Å
6	A	22.8	Very low	24	Very low	98 Å²	98	163.1 Å²	163.1	81%	0.81	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-58.4	127.9	176.3	0	0	0	0	0	111.5	R8	A6-R8 PolarHBondContact O-N 2.73Å; A6-R8 VanDerWaalsContact O-N 3.13Å
7	R	23.2	Very low	24	Very low	241 Å²	241	161.9 Å²	161.9	91%	0.909	85%	0.846	S	S	*	*			trans	-57.3	114	169.1	-86.7	-179.9	169.9	-178	-3.1	109	P5 L9	P5-R7 PolarHBondContact O-N 3.11Å; R7-L9 PolarHBondContact O-N 3.42Å; R7-L9 VanDerWaalsContact O-N 3.11Å
8	R	23.5	Very low	23.9	Very low	244 Å²	244	157.1 Å²	157.1	92%	0.921	84%	0.842	S	S	*	*			trans	-59.3	109	161.9	-79.6	-177.3	179.1	-172.6	0.8	108.5	A6 G10	A6-R8 PolarHBondContact O-N 2.73Å; A6-R8 VanDerWaalsContact O-N 3.13Å; R8-G10 VanDerWaalsContact C-N 3.35Å; R8-G10 PolarHBondContact O-N 3.11Å
9	L	25.4	Very low	24	Very low	176 Å²	176	151.6 Å²	151.6	92%	0.921	83%	0.826	S	S	*	*			trans	-62.9	100.4	155.9	-86.6	151.2	0	0	0	106.9	R7 L11	R7-L9 PolarHBondContact O-N 3.42Å; R7-L9 VanDerWaalsContact O-N 3.11Å; L9-L11 PolarHBondContact O-N 2.95Å
10	G	22.8	Very low	24.6	Very low	66 Å²	66	149.2 Å²	149.2	68%	0.68	82%	0.82	S	S	*	*			trans	-63.2	129.6	173.8	0	0	0	0	0	109.8	R8	R8-G10 VanDerWaalsContact C-N 3.35Å; R8-G10 PolarHBondContact O-N 3.11Å
11	L	22.8	Very low	25.4	Very low	165 Å²	165	145.7 Å²	145.7	86%	0.864	81%	0.807	S	S	*	*			trans	-44.3	129.2	164.9	-83.1	136	0	0	0	109.8	L9 R13	L9-L11 PolarHBondContact O-N 2.95Å; L11-R13 PolarHBondContact O-N 2.83Å; L11-R13 VanDerWaalsContact O-N 3.07Å
12	P	22.6	Very low	26.2	Very low	124 Å²	124	142 Å²	142	81%	0.805	78%	0.78	S	S	*	*			trans	-62.4	117.6	169.7	9.8	-5.6	0	0	0	107.9	A14	P12-A14 PolarHBondContact O-N 2.98Å; P12-A14 VanDerWaalsContact O-N 3.14Å
13	R	21.4	Very low	28	Very low	239 Å²	239	135.2 Å²	135.2	90%	0.902	75%	0.746	S	S	*	*			trans	-48.9	121.9	166.8	-96.9	176.7	165.9	171.2	-4.6	107.8	L11 R15	L11-R13 PolarHBondContact O-N 2.83Å; L11-R13 VanDerWaalsContact O-N 3.07Å; R13-R15 PolarHBondContact O-N 3.02Å
14	A	23.8	Very low	30.8	Very low	91 Å²	91	131 Å²	131	75%	0.752	72%	0.723	S	S	*	*			trans	-49.8	114.4	164.9	0	0	0	0	0	107.9	P12	P12-A14 PolarHBondContact O-N 2.98Å; P12-A14 VanDerWaalsContact O-N 3.14Å
15	R	24.2	Very low	33.9	Very low	209 Å²	209	122 Å²	122	79%	0.789	69%	0.691	S	S	*	*			trans	-53.7	140.5	174.1	-82.3	-179.4	174.3	171.6	-0.2	108.6	R13	R13-R15 PolarHBondContact O-N 3.02Å
16	S	21.6	Very low	37	Very low	96 Å²	96	117.2 Å²	117.2	67%	0.671	66%	0.66	S	S	*	*			trans	-52.7	157.3	170.5	42	0	0	0	0	111.8	G18	S16-G18 PolarHBondContact O-N 3.49Å
17	P	24.2	Very low	40.3	Very low	144 Å²	144	112.8 Å²	112.8	94%	0.935	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	11	-171.8	-15.2	29.9	0	0	0	115.9
18	G	21.7	Very low	43.6	Very low	75 Å²	75	101.4 Å²	101.4	77%	0.773	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	15.4	-165.5	0	0	0	0	0	116.5	S16	S16-G18 PolarHBondContact O-N 3.49Å
19	G	26.4	Very low	46.9	Very low	53 Å²	53	90 Å²	90	55%	0.546	54%	0.539	S	S	.	.			trans	-94.3	124.4	173	0	0	0	0	0	111.2	S21	G19-S21 PolarHBondContact O-N 3.16Å
20	S	34.5	Very low	50.1	Low	102 Å²	102	81.8 Å²	81.8	71%	0.713	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	34.6	-179.1	71.7	0	0	0	0	115.2
21	S	41.5	Very low	53.5	Low	76 Å²	76	79.4 Å²	79.4	53%	0.531	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.4	12.1	-175.6	86.9	0	0	0	0	114.9	G19	G19-S21 PolarHBondContact O-N 3.16Å
22	R	53.3	Low	57	Low	158 Å²	158	71.9 Å²	71.9	60%	0.596	43%	0.427	S	S	*	.	S	Bend	trans	-110.5	104	168.1	-71.8	-174.2	176.6	-168.2	-3.4	108
23	G	60.2	Low	60.3	Low	10 Å²	10	69 Å²	69	10%	0.103	40%	0.4	C	S	.	.			trans	-56.9	143.6	179.3	0	0	0	0	0	111.5
24	S	82.4	Confident	63.6	Low	52 Å²	52	59.3 Å²	59.3	36%	0.364	36%	0.364	S	S	.	.			trans	-60.2	137.5	177.3	173.7	0	0	0	0	110.7	S26 V27 S28	S24-S26 PolarHBondContact O-N 2.98Å; S24-S26 VanDerWaalsContact O-N 3.12Å; S24-S26 PolarHBondContact OG-N 3.22Å; S24-S26 PolarHBondContact OG-OG 3.2Å; S24-V27 PolarHBondContact O-N 3.4Å; S24-S28 PolarHBondContact O-N 3Å; S24-S28 VanDerWaalsContact O-N 3.1Å
25	P	89.3	Confident	67	Low	30 Å²	30	55 Å²	55	20%	0.195	33%	0.329	C	S	.	.	H	α-helix	trans	-49.3	-39.4	174.1	-30.9	37.4	0	0	0	113.4	V27 S28 C29 H123 M954	P25-V27 VanDerWaalsContact C-N 3.35Å; P25-V27 PolarHBondContact O-N 3.04Å; P25-S28 WeakPolarHBondContact O-CB 3.22Å; P25-S28 PolarHBondContact O-N 3.39Å; P25-C29 PolarHBondContact O-N 3.39Å; P25-C29 PolarHBondContact O-SG 3.34Å; P25-C29 VanDerWaalsContact O-SG 3.41Å; P25-H123 HydrophobicContact CB-CB 4.15Å; P25-H123 VanDerWaalsContact CG-CE1 3.46Å; P25-H123 WeakPolarHBondContact CG-CE1 3.47Å; P25-H123 VanDerWaalsContact CG-NE2 3.31Å; P25-H123 WeakPolarHBondContact CG-NE2 3.34Å; P25-M954 HydrophobicContact CB-CE 4.44Å; P25-M954 HydrophobicContact CB-SD 4.21Å
26	S	90.4	Very high	70.3	Confident	12 Å²	12	46.2 Å²	46.2	8%	0.084	30%	0.297	C	S	.	.	H	α-helix	trans	-66.1	-35.2	-179.6	66.1	0	0	0	0	113.5	S24 S30 M954	S24-S26 PolarHBondContact O-N 2.98Å; S24-S26 VanDerWaalsContact O-N 3.12Å; S24-S26 PolarHBondContact OG-N 3.22Å; S24-S26 PolarHBondContact OG-OG 3.2Å; S26-S30 VanDerWaalsContact O-CB 3.32Å; S26-S30 WeakPolarHBondContact O-CB 3.32Å; S26-S30 PolarHBondContact O-N 3.14Å; S26-M954 VanDerWaalsContact CA-SD 3.6Å
27	V	91.3	Very high	73.6	Confident	6 Å²	6	43.6 Å²	43.6	4%	0.036	28%	0.279	C	S	.	.	H	α-helix	trans	-72.9	-40.6	176.1	-177	0	0	0	0	109.6	S24 P25 C29 S30 R31 F73 P221 M222	S24-V27 PolarHBondContact O-N 3.4Å; P25-V27 VanDerWaalsContact C-N 3.35Å; P25-V27 PolarHBondContact O-N 3.04Å; V27-C29 PolarHBondContact O-N 3.31Å; V27-S30 WeakPolarHBondContact O-CB 3.23Å; V27-S30 PolarHBondContact O-N 2.98Å; V27-S30 VanDerWaalsContact O-N 3.11Å; V27-R31 HydrophobicContact CG1-CG 4.37Å; V27-R31 WeakPolarHBondContact O-CG 3.31Å; V27-R31 PolarHBondContact O-N 2.88Å; V27-F73 HydrophobicContact CB-CE1 4.25Å; V27-F73 HydrophobicContact CB-CZ 4.35Å; V27-F73 HydrophobicContact CG1-CE1 3.87Å; V27-F73 HydrophobicContact CG1-CZ 4.38Å; V27-P221 HydrophobicContact CG2-CB 4.15Å; V27-P221 HydrophobicContact CG2-CG 4.04Å; V27-M222 HydrophobicContact CB-CG 4.38Å; V27-M222 HydrophobicContact CG1-CB 4.48Å; V27-M222 HydrophobicContact CG1-CG 3.86Å
28	S	92.9	Very high	76.8	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.014	24%	0.236	C	C	.	.	H	α-helix	trans	-56.6	-50.8	175.8	-176.9	0	0	0	0	111.2	S24 P25 S30 R31 L32 Y120 W124	S24-S28 PolarHBondContact O-N 3Å; S24-S28 VanDerWaalsContact O-N 3.1Å; P25-S28 WeakPolarHBondContact O-CB 3.22Å; P25-S28 PolarHBondContact O-N 3.39Å; S28-S30 VanDerWaalsContact C-N 3.32Å; S28-S30 PolarHBondContact O-N 3.11Å; S28-R31 PolarHBondContact O-N 2.96Å; S28-L32 PolarHBondContact O-N 2.87Å; S28-Y120 PolarHBondContact OG-O 2.73Å; S28-W124 PolarHBondContact OG-NE1 3.34Å
29	C	92.9	Very high	80.1	Confident	5 Å²	5	34 Å²	34	3%	0.034	20%	0.201	C	C	.	.	H	α-helix	trans	-63.5	-35.8	175.5	-66	0	0	0	0	112.9	P25 V27 R33 H123 M954	P25-C29 PolarHBondContact O-N 3.39Å; P25-C29 PolarHBondContact O-SG 3.34Å; P25-C29 VanDerWaalsContact O-SG 3.41Å; V27-C29 PolarHBondContact O-N 3.31Å; C29-R33 WeakPolarHBondContact O-CB 3.35Å; C29-R33 WeakPolarHBondContact O-CG 3.29Å; C29-R33 PolarHBondContact O-N 2.85Å; C29-H123 PolarHBondContact SG-O 2.67Å; C29-M954 HydrophobicContact CB-CE 4.44Å; C29-M954 WeakPolarHBondContact SG-CE 3.49Å
30	S	92.6	Very high	82.7	Confident	3 Å²	3	35.6 Å²	35.6	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-64.3	-47	176.2	-172.7	0	0	0	0	112	S26 V27 S28 L32 R33 Q34	S26-S30 VanDerWaalsContact O-CB 3.32Å; S26-S30 WeakPolarHBondContact O-CB 3.32Å; S26-S30 PolarHBondContact O-N 3.14Å; V27-S30 WeakPolarHBondContact O-CB 3.23Å; V27-S30 PolarHBondContact O-N 2.98Å; V27-S30 VanDerWaalsContact O-N 3.11Å; S28-S30 VanDerWaalsContact C-N 3.32Å; S28-S30 PolarHBondContact O-N 3.11Å; S30-L32 VanDerWaalsContact C-N 3.35Å; S30-L32 PolarHBondContact O-N 3.22Å; S30-R33 PolarHBondContact O-N 2.63Å; S30-Q34 WeakPolarHBondContact O-CG 3.18Å; S30-Q34 PolarHBondContact O-N 2.92Å
31	R	93.6	Very high	84.6	Confident	16 Å²	16	35.3 Å²	35.3	6%	0.06	19%	0.188	C	C	.	.	H	α-helix	trans	-59.3	-46.2	176.4	-71.7	-168.9	176	-171.8	-9.7	111.3	V27 S28 R33 Q34 V35 Y70 L71 D220 S223	V27-R31 HydrophobicContact CG1-CG 4.37Å; V27-R31 WeakPolarHBondContact O-CG 3.31Å; V27-R31 PolarHBondContact O-N 2.88Å; S28-R31 PolarHBondContact O-N 2.96Å; R31-R33 PolarHBondContact O-N 2.62Å; R31-Q34 PolarHBondContact O-N 2.81Å; R31-V35 PolarHBondContact O-N 3.04Å; R31-V35 VanDerWaalsContact O-N 3.08Å; R31-Y70 HydrophobicContact CB-CD1 4.32Å; R31-Y70 HydrophobicContact CB-CE1 3.65Å; R31-Y70 WeakPolarHBondContact CD-O 3.11Å; R31-Y70 HydrophobicContact CG-CE1 3.91Å; R31-Y70 HydrophobicContact CG-CE2 4.13Å; R31-Y70 PolarHBondContact NH1-O 3.03Å; R31-L71 HydrophobicContact CB-CD2 4.22Å; R31-D220 IonicContact CZ-OD2 3.97Å; R31-D220 IonicContact NE-OD2 2.72Å; R31-D220 PolarHBondContact NE-OD2 3.31Å; R31-D220 IonicContact NH2-OD1 3.19Å; R31-D220 PolarHBondContact NH2-OD1 2.98Å; R31-D220 IonicContact NH2-OD2 3.6Å; R31-D220 PolarHBondContact NH2-OD2 3.27Å; R31-S223 PolarHBondContact NH2-OG 2.71Å
32	L	95.2	Very high	85.4	Confident	6 Å²	6	38 Å²	38	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-57.7	-48.5	175.5	178.2	65.1	0	0	0	111.5	S28 S30 Q34 V35 Q36 L71 I100 V105 W124	S28-L32 PolarHBondContact O-N 2.87Å; S30-L32 VanDerWaalsContact C-N 3.35Å; S30-L32 PolarHBondContact O-N 3.22Å; L32-Q34 VanDerWaalsContact C-N 3.3Å; L32-Q34 PolarHBondContact O-N 2.98Å; L32-V35 PolarHBondContact O-N 3.38Å; L32-V35 VanDerWaalsContact O-N 3.11Å; L32-Q36 HydrophobicContact CD1-CG 4.28Å; L32-Q36 HydrophobicContact CG-CG 4.32Å; L32-Q36 WeakPolarHBondContact O-CG 3.34Å; L32-Q36 PolarHBondContact O-N 3.14Å; L32-L71 HydrophobicContact CB-CD2 4.33Å; L32-I100 HydrophobicContact CD1-CD1 4.34Å; L32-I100 HydrophobicContact CD1-CG1 4.3Å; L32-I100 HydrophobicContact CD1-CG2 3.83Å; L32-V105 HydrophobicContact CD1-CG2 3.71Å; L32-V105 HydrophobicContact CD2-CG2 3.66Å; L32-V105 HydrophobicContact CG-CG2 4.27Å; L32-W124 HydrophobicContact CD2-CB 3.9Å; L32-W124 HydrophobicContact CD2-CD2 3.79Å; L32-W124 HydrophobicContact CD2-CE3 4.34Å; L32-W124 HydrophobicContact CD2-CG 3.57Å
33	R	92.4	Very high	85.9	Confident	65 Å²	65	33.2 Å²	33.2	25%	0.245	20%	0.198	C	C	.	.	H	α-helix	trans	-59.7	-38.3	177.6	-78.1	-172.5	-65.5	-104.8	7.1	112.9	C29 S30 R31 V35 Q36 S37 L953 M954	C29-R33 WeakPolarHBondContact O-CB 3.35Å; C29-R33 WeakPolarHBondContact O-CG 3.29Å; C29-R33 PolarHBondContact O-N 2.85Å; S30-R33 PolarHBondContact O-N 2.63Å; R31-R33 PolarHBondContact O-N 2.62Å; R33-V35 VanDerWaalsContact C-N 3.34Å; R33-Q36 PolarHBondContact O-N 3.28Å; R33-S37 PolarHBondContact O-N 3.46Å; R33-L953 PolarHBondContact NH2-O 2.74Å; R33-M954 PolarHBondContact NH1-O 3.14Å
34	Q	91.7	Very high	85.8	Confident	34 Å²	34	42.7 Å²	42.7	16%	0.159	24%	0.236	C	C	.	.	H	α-helix	trans	-65.4	-38.8	176.4	-69.4	178.1	10.9	0	0	111.6	S30 R31 L32 S37 Y70 V215	S30-Q34 WeakPolarHBondContact O-CG 3.18Å; S30-Q34 PolarHBondContact O-N 2.92Å; R31-Q34 PolarHBondContact O-N 2.81Å; L32-Q34 VanDerWaalsContact C-N 3.3Å; L32-Q34 PolarHBondContact O-N 2.98Å; Q34-S37 WeakPolarHBondContact O-CB 3.4Å; Q34-S37 PolarHBondContact O-N 3.27Å; Q34-S37 PolarHBondContact O-OG 3.37Å; Q34-Y70 PolarHBondContact OE1-OH 2.9Å; Q34-V215 HydrophobicContact CB-CG1 3.71Å
35	V	94.8	Very high	85.1	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.7	-45.6	172.4	176.1	0	0	0	0	111	R31 L32 R33 S37 I38 I50 L67 Y70 L71 I100 L212 V215	R31-V35 PolarHBondContact O-N 3.04Å; R31-V35 VanDerWaalsContact O-N 3.08Å; L32-V35 PolarHBondContact O-N 3.38Å; L32-V35 VanDerWaalsContact O-N 3.11Å; R33-V35 VanDerWaalsContact C-N 3.34Å; V35-S37 PolarHBondContact O-N 2.99Å; V35-I38 WeakPolarHBondContact O-CB 3.45Å; V35-I38 PolarHBondContact O-N 3.09Å; V35-I38 VanDerWaalsContact O-N 3.17Å; V35-I50 HydrophobicContact CG1-CD1 3.8Å; V35-L67 HydrophobicContact CG1-CD1 4.35Å; V35-L67 HydrophobicContact CG2-CD1 4.03Å; V35-Y70 HydrophobicContact CG2-CD1 4.22Å; V35-Y70 HydrophobicContact CG2-CE1 4.02Å; V35-L71 HydrophobicContact CG2-CD2 4.22Å; V35-I100 HydrophobicContact CG1-CD1 3.84Å; V35-I100 HydrophobicContact CG1-CG2 4.3Å; V35-L212 HydrophobicContact CG1-CD2 4.03Å; V35-L212 HydrophobicContact CG2-CD2 4.21Å; V35-V215 HydrophobicContact CG2-CG1 4.36Å
36	Q	93.9	Very high	84.8	Confident	25 Å²	25	48 Å²	48	12%	0.117	26%	0.256	C	S	.	.	H	α-helix	trans	-61.2	-28.1	175.9	-69.2	177.8	-51.5	0	0	112.5	L32 R33 I38 L39 T40 I100 K101	L32-Q36 HydrophobicContact CD1-CG 4.28Å; L32-Q36 HydrophobicContact CG-CG 4.32Å; L32-Q36 WeakPolarHBondContact O-CG 3.34Å; L32-Q36 PolarHBondContact O-N 3.14Å; R33-Q36 PolarHBondContact O-N 3.28Å; Q36-I38 PolarHBondContact O-N 2.86Å; Q36-L39 VanDerWaalsContact O-CB 3.29Å; Q36-L39 WeakPolarHBondContact O-CB 3.45Å; Q36-L39 PolarHBondContact O-N 3.04Å; Q36-T40 PolarHBondContact O-N 3.27Å; Q36-I100 HydrophobicContact CG-CG2 3.63Å; Q36-K101 WeakPolarHBondContact CG-O 3.29Å; Q36-K101 PolarHBondContact NE2-O 3.41Å
37	S	90.4	Very high	84.8	Confident	42 Å²	42	47.6 Å²	47.6	29%	0.294	25%	0.253	S	S	.	.	H	α-helix	trans	-59.1	-32.3	178	81.7	0	0	0	0	112.3	R33 Q34 V35 L39 T40 Q41	R33-S37 PolarHBondContact O-N 3.46Å; Q34-S37 WeakPolarHBondContact O-CB 3.4Å; Q34-S37 PolarHBondContact O-N 3.27Å; Q34-S37 PolarHBondContact O-OG 3.37Å; V35-S37 PolarHBondContact O-N 2.99Å; S37-L39 PolarHBondContact O-N 3Å; S37-T40 WeakPolarHBondContact CA-OG1 3.33Å; S37-T40 PolarHBondContact O-N 2.94Å; S37-T40 PolarHBondContact O-OG1 3.14Å; S37-Q41 WeakPolarHBondContact O-CG 3.49Å; S37-Q41 PolarHBondContact O-N 3.49Å; S37-Q41 VanDerWaalsContact O-N 3.16Å
38	I	91.3	Very high	84.9	Confident	9 Å²	9	49.8 Å²	49.8	5%	0.046	27%	0.265	C	S	.	.	H	α-helix	trans	-59.3	-35.4	175.6	-59.5	170.8	0	0	0	110.8	V35 Q36 T40 I50 N211 L212 V215	V35-I38 WeakPolarHBondContact O-CB 3.45Å; V35-I38 PolarHBondContact O-N 3.09Å; V35-I38 VanDerWaalsContact O-N 3.17Å; Q36-I38 PolarHBondContact O-N 2.86Å; I38-T40 VanDerWaalsContact C-N 3.35Å; I38-I50 HydrophobicContact CD1-CD1 4.48Å; I38-N211 HydrophobicContact CD1-CB 3.95Å; I38-N211 HydrophobicContact CG1-CB 4.29Å; I38-N211 HydrophobicContact CG2-CB 3.95Å; I38-L212 HydrophobicContact CD1-CD2 3.66Å; I38-L212 HydrophobicContact CD1-CG 4.08Å; I38-V215 HydrophobicContact CD1-CG2 3.95Å; I38-V215 HydrophobicContact CG1-CG2 4.28Å
39	L	90.9	Very high	85	Confident	7 Å²	7	49.7 Å²	49.7	4%	0.037	26%	0.264	C	S	.	.	H	α-helix	trans	-75.3	-24.9	178.7	-55.7	175.5	0	0	0	112.7	Q36 S37 P47 I50 I100	Q36-L39 VanDerWaalsContact O-CB 3.29Å; Q36-L39 WeakPolarHBondContact O-CB 3.45Å; Q36-L39 PolarHBondContact O-N 3.04Å; S37-L39 PolarHBondContact O-N 3Å; L39-P47 HydrophobicContact CD2-CB 4.22Å; L39-P47 HydrophobicContact CD2-CG 3.77Å; L39-P47 WeakPolarHBondContact CD2-O 3.35Å; L39-I50 HydrophobicContact CD2-CD1 4.3Å; L39-I50 HydrophobicContact CD2-CG1 4Å; L39-I100 WeakPolarHBondContact CD1-O 3.25Å
40	T	82	Confident	85.2	Confident	88 Å²	88	49.4 Å²	49.4	54%	0.54	26%	0.262	S	S	.	.	H	α-helix	trans	-93.2	-12.2	-177.1	62.7	0	0	0	0	114.1	Q36 S37 I38	Q36-T40 PolarHBondContact O-N 3.27Å; S37-T40 WeakPolarHBondContact CA-OG1 3.33Å; S37-T40 PolarHBondContact O-N 2.94Å; S37-T40 PolarHBondContact O-OG1 3.14Å; I38-T40 VanDerWaalsContact C-N 3.35Å
41	Q	74.5	Confident	85.4	Confident	96 Å²	96	49.3 Å²	49.3	45%	0.449	26%	0.262	S	S	.	.	S	Bend	trans	-62.6	140.1	179.8	-76.8	171.5	14	0	0	111.7	S37 S43	S37-Q41 WeakPolarHBondContact O-CG 3.49Å; S37-Q41 PolarHBondContact O-N 3.49Å; S37-Q41 VanDerWaalsContact O-N 3.16Å; Q41-S43 PolarHBondContact O-N 3Å
42	S	57.9	Low	85.6	Confident	133 Å²	133	48.6 Å²	48.6	93%	0.93	26%	0.259	S	S	*	.			trans	-75.5	70.4	-178.2	57.8	0	0	0	0	111.7
43	S	63.8	Low	85.7	Confident	56 Å²	56	48.3 Å²	48.3	39%	0.392	26%	0.257	S	S	.	.			trans	-116.2	148	171.7	79.3	0	0	0	0	110.7	Q41 S45	Q41-S43 PolarHBondContact O-N 3Å; S43-S45 PolarHBondContact O-N 2.87Å
44	K	57	Low	85.8	Confident	209 Å²	209	45.6 Å²	45.6	91%	0.909	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-21.2	-179.4	-70.7	-177.9	177.5	179.2	0	112.8	R160	K44-R160 PolarHBondContact O-NH1 2.92Å
45	S	67.9	Low	85.8	Confident	77 Å²	77	44.2 Å²	44.2	54%	0.538	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	50.6	-177.8	61.6	0	0	0	0	111.8	S43 Q206	S43-S45 PolarHBondContact O-N 2.87Å; S45-Q206 PolarHBondContact O-NE2 3.24Å; S45-Q206 PolarHBondContact O-OE1 3.25Å; S45-Q206 VanDerWaalsContact O-OE1 3.09Å
46	R	82.9	Confident	85.7	Confident	117 Å²	117	48.7 Å²	48.7	44%	0.442	27%	0.266	S	S	.	.			trans	-81.1	139.2	176.8	69.4	-178.5	-176.4	-173.6	0.4	110.7	R160	R46-R160 PolarHBondContact O-NE 2.86Å; R46-R160 PolarHBondContact O-NH2 3.41Å
47	P	90.9	Very high	85.7	Confident	4 Å²	4	48.3 Å²	48.3	3%	0.026	26%	0.264	C	S	.	.			trans	-74.8	153.2	168.5	23.3	-12.7	0	0	0	109.7	L39 Q206 V208	L39-P47 HydrophobicContact CD2-CB 4.22Å; L39-P47 HydrophobicContact CD2-CG 3.77Å; L39-P47 WeakPolarHBondContact CD2-O 3.35Å; P47-Q206 HydrophobicContact CB-CG 4.13Å; P47-Q206 HydrophobicContact CG-CG 4.33Å; P47-Q206 VanDerWaalsContact CG-NE2 3.31Å; P47-V208 HydrophobicContact CG-CG1 4.01Å
48	D	92.8	Very high	85.9	Confident	51 Å²	51	46.3 Å²	46.3	27%	0.273	25%	0.251	S	S	.	.	S	Bend	trans	-82.7	-26	174.4	-55	-46.9	0	0	0	111	C158 S159 R160	D48-C158 HydrophobicContact CB-CB 4.25Å; D48-S159 WeakPolarHBondContact OD2-CA 3.35Å; D48-S159 WeakPolarHBondContact OD2-CB 3.39Å; D48-S159 PolarHBondContact OD2-N 3.12Å; D48-R160 PolarHBondContact N-O 2.84Å; D48-R160 PolarHBondContact OD2-N 3.15Å
49	G	95.3	Very high	86	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	161	171.1	0	0	0	0	0	113	I100 G162	G49-I100 CarbonylContact C-O 3.59Å; G49-I100 WeakPolarHBondContact CA-O 3.49Å; G49-G162 PolarHBondContact O-N 3.17Å
50	I	97.4	Very high	86	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	121.7	172.9	-65.1	165.3	0	0	0	108.3	V35 I38 L39 L67 I100 G162 V208 L212	V35-I50 HydrophobicContact CG1-CD1 3.8Å; I38-I50 HydrophobicContact CD1-CD1 4.48Å; L39-I50 HydrophobicContact CD2-CD1 4.3Å; L39-I50 HydrophobicContact CD2-CG1 4Å; I50-L67 HydrophobicContact CG2-CD2 3.75Å; I50-I100 PolarHBondContact N-O 3.17Å; I50-I100 PolarHBondContact O-N 2.85Å; I50-G162 WeakPolarHBondContact CA-O 3.45Å; I50-V208 HydrophobicContact CD1-CG2 4.49Å; I50-V208 HydrophobicContact CG1-CG2 4.25Å; I50-V208 HydrophobicContact CG2-CG2 4.16Å; I50-L212 HydrophobicContact CD1-CD2 4.44Å
51	L	97.8	Very high	86.5	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	120.9	-178.2	176.3	64.1	0	0	0	110.3	I53 I97 L99 F151 I161 G162 I163 P164 F199	L51-I53 HydrophobicContact CD1-CD1 4.25Å; L51-I53 HydrophobicContact CD1-CG1 4.03Å; L51-I53 HydrophobicContact CD2-CD1 3.82Å; L51-I53 HydrophobicContact CD2-CG1 4.47Å; L51-I53 HydrophobicContact CG-CD1 3.95Å; L51-I53 HydrophobicContact CG-CG1 4.06Å; L51-I97 HydrophobicContact CD1-CG2 3.8Å; L51-L99 HydrophobicContact CB-CD1 4.08Å; L51-L99 HydrophobicContact CD1-CD1 4.37Å; L51-F151 HydrophobicContact CD1-CE2 3.95Å; L51-F151 HydrophobicContact CD2-CE2 3.8Å; L51-F151 HydrophobicContact CD2-CZ 4.1Å; L51-I161 HydrophobicContact CB-CG2 3.54Å; L51-I161 HydrophobicContact CD2-CG2 4.23Å; L51-G162 PolarHBondContact N-O 3.16Å; L51-I163 HydrophobicContact CB-CD1 4.03Å; L51-I163 HydrophobicContact CD2-CD1 4.14Å; L51-I163 HydrophobicContact CG-CD1 4.42Å; L51-P164 WeakPolarHBondContact O-CD 3.14Å; L51-F199 HydrophobicContact CD2-CZ 4.26Å
52	C	97.4	Very high	87.3	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.007	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	111.9	178.8	179	0	0	0	0	109.2	C64 L67 I98	C52-C64 PolarHBondContact SG-O 3.49Å; C52-L67 HydrophobicContact CB-CD2 3.95Å; C52-I98 HydrophobicContact CB-CB 4.2Å; C52-I98 PolarHBondContact N-O 3.32Å; C52-I98 PolarHBondContact O-N 2.92Å
53	I	97.1	Very high	88.9	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.4	179.4	-63.2	157.8	0	0	0	107.9	L51 D57 S58 C64 I97 F151 W182 I184 V185	L51-I53 HydrophobicContact CD1-CD1 4.25Å; L51-I53 HydrophobicContact CD1-CG1 4.03Å; L51-I53 HydrophobicContact CD2-CD1 3.82Å; L51-I53 HydrophobicContact CD2-CG1 4.47Å; L51-I53 HydrophobicContact CG-CD1 3.95Å; L51-I53 HydrophobicContact CG-CG1 4.06Å; I53-D57 HydrophobicContact CG2-CB 3.62Å; I53-S58 WeakPolarHBondContact O-CB 3.35Å; I53-S58 PolarHBondContact O-OG 2.89Å; I53-C64 PolarHBondContact N-SG 3.08Å; I53-C64 WeakPolarHBondContact O-CB 3.13Å; I53-C64 PolarHBondContact O-SG 2.92Å; I53-C64 VanDerWaalsContact O-SG 3.4Å; I53-I97 HydrophobicContact CG1-CG1 4.43Å; I53-I97 HydrophobicContact CG1-CG2 3.85Å; I53-I97 HydrophobicContact CG2-CG1 4.48Å; I53-F151 HydrophobicContact CD1-CE2 4.42Å; I53-W182 HydrophobicContact CD1-CE3 3.92Å; I53-W182 HydrophobicContact CD1-CZ3 4.08Å; I53-I184 HydrophobicContact CD1-CG2 3.64Å; I53-I184 HydrophobicContact CG1-CG2 4.31Å; I53-I184 HydrophobicContact CG2-CG2 3.97Å; I53-V185 HydrophobicContact CD1-CG2 4.39Å
54	L	94.9	Very high	90.4	Very high	7 Å²	7	43.7 Å²	43.7	4%	0.037	20%	0.202	C	C	.	.			trans	-95.1	167.6	179.9	-64.2	-176	0	0	0	112.2	C64 R65 A68 Y76 D94 V96	L54-C64 HydrophobicContact CD2-CB 4.23Å; L54-R65 HydrophobicContact CD2-CB 4.39Å; L54-A68 HydrophobicContact CD1-CB 3.76Å; L54-A68 HydrophobicContact CD2-CB 3.79Å; L54-A68 HydrophobicContact CG-CB 4.25Å; L54-Y76 HydrophobicContact CD1-CD2 3.89Å; L54-Y76 HydrophobicContact CD1-CE1 4.2Å; L54-Y76 HydrophobicContact CD1-CE2 3.43Å; L54-Y76 VanDerWaalsContact CD1-CE2 3.43Å; L54-Y76 HydrophobicContact CD1-CG 4.41Å; L54-D94 CarbonylContact C-O 3.59Å; L54-D94 HydrophobicContact CB-CB 4.44Å; L54-D94 WeakPolarHBondContact CB-O 3.31Å; L54-V96 HydrophobicContact CD1-CB 4.22Å; L54-V96 PolarHBondContact N-O 3.31Å; L54-V96 VanDerWaalsContact N-O 3.16Å
55	G	91.9	Very high	92.1	Very high	6 Å²	6	37.7 Å²	37.7	6%	0.062	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	63.9	-151.3	171.4	0	0	0	0	0	115.6	D57 S58 R59 Y60	G55-D57 PolarHBondContact O-N 2.98Å; G55-S58 PolarHBondContact O-N 2.73Å; G55-S58 PolarHBondContact O-OG 2.96Å; G55-R59 PolarHBondContact O-N 3.07Å; G55-Y60 WeakPolarHBondContact O-CA 3.37Å; G55-Y60 PolarHBondContact O-N 3.49Å
56	I	91.8	Very high	93.2	Very high	94 Å²	94	36.2 Å²	36.2	48%	0.482	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-61.4	-28.6	-176.7	-171.6	60.8	0	0	0	112.9	S58 R59 Y60	I56-S58 PolarHBondContact O-N 2.87Å; I56-R59 WeakPolarHBondContact O-CA 3.23Å; I56-R59 PolarHBondContact O-N 3.12Å; I56-Y60 HydrophobicContact CB-CE2 4.27Å; I56-Y60 HydrophobicContact CD1-CD2 4.44Å; I56-Y60 HydrophobicContact CD1-CE2 3.69Å
57	D	94.8	Very high	93.8	Very high	16 Å²	16	30.6 Å²	30.6	9%	0.086	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-66.6	-21.1	-177.5	-82.7	-30.6	0	0	0	113.5	I53 G55 K147 W182 P183 I184	I53-D57 HydrophobicContact CG2-CB 3.62Å; G55-D57 PolarHBondContact O-N 2.98Å; D57-K147 IonicContact OD1-NZ 3.73Å; D57-K147 IonicContact OD2-NZ 3.47Å; D57-K147 PolarHBondContact OD2-NZ 3.43Å; D57-K147 VanDerWaalsContact OD2-NZ 3.09Å; D57-W182 WeakPolarHBondContact O-CB 3.23Å; D57-P183 WeakPolarHBondContact O-CD 3.38Å; D57-I184 HydrophobicContact CB-CB 4.02Å; D57-I184 HydrophobicContact CB-CG2 4.02Å
58	S	94.1	Very high	94	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.007	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-109.2	11.9	168.2	66.6	0	0	0	0	113.8	I53 G55 I56 Y60 N61 W182	I53-S58 WeakPolarHBondContact O-CB 3.35Å; I53-S58 PolarHBondContact O-OG 2.89Å; G55-S58 PolarHBondContact O-N 2.73Å; G55-S58 PolarHBondContact O-OG 2.96Å; I56-S58 PolarHBondContact O-N 2.87Å; S58-Y60 VanDerWaalsContact C-N 3.28Å; S58-Y60 PolarHBondContact O-N 3.28Å; S58-N61 PolarHBondContact O-N 3.44Å; S58-N61 PolarHBondContact OG-N 2.85Å; S58-W182 PolarHBondContact O-NE1 3.36Å
59	R	93.2	Very high	93.9	Very high	139 Å²	139	28.4 Å²	28.4	53%	0.525	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	43.1	-168.8	-54	-176.8	178.7	-148.8	-5.7	112.5	G55 I56 K181	G55-R59 PolarHBondContact O-N 3.07Å; I56-R59 WeakPolarHBondContact O-CA 3.23Å; I56-R59 PolarHBondContact O-N 3.12Å; R59-K181 VanDerWaalsContact CZ-O 3.3Å; R59-K181 PolarHBondContact NE-O 3.25Å; R59-K181 PolarHBondContact NH2-O 3.41Å
60	Y	90.9	Very high	93.7	Very high	99 Å²	99	29.3 Å²	29.3	39%	0.388	13%	0.129	S	C	.	.	S	Bend	trans	57.6	48.9	-179.6	-55.2	-81.7	0	0	0	112.4	G55 I56 S58 E62	G55-Y60 WeakPolarHBondContact O-CA 3.37Å; G55-Y60 PolarHBondContact O-N 3.49Å; I56-Y60 HydrophobicContact CB-CE2 4.27Å; I56-Y60 HydrophobicContact CD1-CD2 4.44Å; I56-Y60 HydrophobicContact CD1-CE2 3.69Å; S58-Y60 VanDerWaalsContact C-N 3.28Å; S58-Y60 PolarHBondContact O-N 3.28Å; Y60-E62 PolarHBondContact O-N 2.73Å
61	N	92.5	Very high	93.6	Very high	17 Å²	17	29.4 Å²	29.4	9%	0.091	13%	0.129	C	C	.	.			trans	-64.4	121.5	179.4	-178.2	-85.2	0	0	0	111.4	S58 G63 C64 R65 P164 Y165 W182	S58-N61 PolarHBondContact O-N 3.44Å; S58-N61 PolarHBondContact OG-N 2.85Å; N61-G63 PolarHBondContact O-N 2.99Å; N61-G63 WeakPolarHBondContact OD1-CA 3.31Å; N61-G63 PolarHBondContact OD1-N 3.2Å; N61-C64 HydrophobicContact CB-CB 4.32Å; N61-C64 PolarHBondContact O-N 3.14Å; N61-C64 PolarHBondContact OD1-N 3.18Å; N61-R65 PolarHBondContact O-N 3.39Å; N61-R65 VanDerWaalsContact O-N 3.16Å; N61-P164 PolarHBondContact OD1-O 3.03Å; N61-Y165 PolarHBondContact ND2-O 2.86Å; N61-W182 HydrophobicContact CB-CH2 4.13Å; N61-W182 HydrophobicContact CB-CZ2 3.84Å
62	E	90.4	Very high	93.3	Very high	77 Å²	77	29.3 Å²	29.3	36%	0.36	13%	0.129	S	C	.	.	H	α-helix	trans	-67	-33.6	-176.6	-69.6	-65.4	167.7	0	0	113.9	Y60 R65 E66	Y60-E62 PolarHBondContact O-N 2.73Å; E62-R65 PolarHBondContact O-N 2.91Å; E62-R65 IonicContact OE1-CZ 3.58Å; E62-R65 IonicContact OE1-NE 3.24Å; E62-R65 IonicContact OE1-NH2 3.29Å; E62-R65 PolarHBondContact OE1-NH2 3.48Å; E62-R65 IonicContact OE2-CZ 2.87Å; E62-R65 IonicContact OE2-NE 2.69Å; E62-R65 PolarHBondContact OE2-NE 3.32Å; E62-R65 IonicContact OE2-NH2 3.73Å; E62-R65 PolarHBondContact OE2-NH2 3.18Å; E62-E66 WeakPolarHBondContact O-CB 3.37Å; E62-E66 PolarHBondContact O-N 2.95Å
63	G	92.8	Very high	92.9	Very high	1 Å²	1	31 Å²	31	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-69.5	-39	178.3	0	0	0	0	0	112.3	N61 E66 L67 P164	N61-G63 PolarHBondContact O-N 2.99Å; N61-G63 WeakPolarHBondContact OD1-CA 3.31Å; N61-G63 PolarHBondContact OD1-N 3.2Å; G63-E66 PolarHBondContact O-N 3.34Å; G63-L67 PolarHBondContact O-N 3.45Å; G63-P164 CarbonylContact C-O 3.59Å; G63-P164 VanDerWaalsContact C-O 3.28Å; G63-P164 WeakPolarHBondContact CA-O 2.99Å
64	C	94.5	Very high	92.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.7	-47.5	169.5	-69.9	0	0	0	0	111.3	C52 I53 L54 N61 E66 L67 A68 P164	C52-C64 PolarHBondContact SG-O 3.49Å; I53-C64 PolarHBondContact N-SG 3.08Å; I53-C64 WeakPolarHBondContact O-CB 3.13Å; I53-C64 PolarHBondContact O-SG 2.92Å; I53-C64 VanDerWaalsContact O-SG 3.4Å; L54-C64 HydrophobicContact CD2-CB 4.23Å; N61-C64 HydrophobicContact CB-CB 4.32Å; N61-C64 PolarHBondContact O-N 3.14Å; N61-C64 PolarHBondContact OD1-N 3.18Å; C64-E66 VanDerWaalsContact C-N 3.31Å; C64-E66 PolarHBondContact O-N 2.91Å; C64-L67 PolarHBondContact O-N 3.03Å; C64-A68 PolarHBondContact O-N 2.86Å; C64-P164 HydrophobicContact CB-CG 4.41Å; C64-P164 PolarHBondContact N-O 3.1Å
65	R	92.4	Very high	91.8	Very high	84 Å²	84	33 Å²	33	32%	0.317	15%	0.152	S	C	.	.	H	α-helix	trans	-60	-41.5	178.2	-174.4	168.1	70.3	161.7	2	112.1	L54 N61 E62 A68 N69	L54-R65 HydrophobicContact CD2-CB 4.39Å; N61-R65 PolarHBondContact O-N 3.39Å; N61-R65 VanDerWaalsContact O-N 3.16Å; E62-R65 PolarHBondContact O-N 2.91Å; E62-R65 IonicContact OE1-CZ 3.58Å; E62-R65 IonicContact OE1-NE 3.24Å; E62-R65 IonicContact OE1-NH2 3.29Å; E62-R65 PolarHBondContact OE1-NH2 3.48Å; E62-R65 IonicContact OE2-CZ 2.87Å; E62-R65 IonicContact OE2-NE 2.69Å; E62-R65 PolarHBondContact OE2-NE 3.32Å; E62-R65 IonicContact OE2-NH2 3.73Å; E62-R65 PolarHBondContact OE2-NH2 3.18Å; R65-A68 PolarHBondContact O-N 3.39Å; R65-N69 WeakPolarHBondContact O-CB 3.38Å; R65-N69 PolarHBondContact O-N 3.34Å; R65-N69 PolarHBondContact O-ND2 2.92Å; R65-N69 VanDerWaalsContact O-ND2 3.13Å
66	E	91.8	Very high	91.2	Very high	45 Å²	45	33.7 Å²	33.7	21%	0.21	15%	0.153	C	C	.	.	H	α-helix	trans	-61.9	-44.9	175.9	-170	176.2	-160.5	0	0	112.2	E62 G63 C64 N69 Y70 S167 Q168 Y216	E62-E66 WeakPolarHBondContact O-CB 3.37Å; E62-E66 PolarHBondContact O-N 2.95Å; G63-E66 PolarHBondContact O-N 3.34Å; C64-E66 VanDerWaalsContact C-N 3.31Å; C64-E66 PolarHBondContact O-N 2.91Å; E66-N69 PolarHBondContact O-N 2.88Å; E66-Y70 PolarHBondContact O-N 3.27Å; E66-S167 VanDerWaalsContact OE2-CA 3.26Å; E66-S167 WeakPolarHBondContact OE2-CA 3.35Å; E66-Q168 WeakPolarHBondContact OE1-CB 3.46Å; E66-Q168 PolarHBondContact OE2-N 3.22Å; E66-Y216 HydrophobicContact CB-CE2 4.48Å; E66-Y216 HydrophobicContact CG-CD2 4.06Å; E66-Y216 HydrophobicContact CG-CE2 3.66Å
67	L	95.5	Very high	90.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.8	-45.8	175.9	177.6	54.2	0	0	0	112.2	V35 I50 C52 G63 C64 N69 Y70 L71 I100 P164 L212 Y216	V35-L67 HydrophobicContact CG1-CD1 4.35Å; V35-L67 HydrophobicContact CG2-CD1 4.03Å; I50-L67 HydrophobicContact CG2-CD2 3.75Å; C52-L67 HydrophobicContact CB-CD2 3.95Å; G63-L67 PolarHBondContact O-N 3.45Å; C64-L67 PolarHBondContact O-N 3.03Å; L67-N69 VanDerWaalsContact C-N 3.34Å; L67-N69 PolarHBondContact O-N 3.38Å; L67-Y70 PolarHBondContact O-N 3.17Å; L67-L71 HydrophobicContact CD1-CD1 3.94Å; L67-L71 HydrophobicContact CD1-CG 4.22Å; L67-L71 HydrophobicContact CG-CD1 4.24Å; L67-L71 PolarHBondContact O-N 2.7Å; L67-I100 HydrophobicContact CD2-CD1 4.44Å; L67-P164 HydrophobicContact CD2-CB 4.42Å; L67-P164 HydrophobicContact CD2-CG 4.12Å; L67-L212 HydrophobicContact CD1-CD2 4.04Å; L67-L212 HydrophobicContact CD2-CD1 4.25Å; L67-Y216 WeakPolarHBondContact CA-OH 3.33Å; L67-Y216 VanDerWaalsContact CB-OH 3.24Å; L67-Y216 WeakPolarHBondContact CB-OH 3.38Å; L67-Y216 HydrophobicContact CD1-CE1 4.24Å; L67-Y216 WeakPolarHBondContact CD1-OH 3.28Å
68	A	94.4	Very high	88.7	Confident	0 Å²	0	37 Å²	37	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.9	-42.9	177.2	0	0	0	0	0	111.5	L54 C64 R65 Y70 L71 L72 Y76	L54-A68 HydrophobicContact CD1-CB 3.76Å; L54-A68 HydrophobicContact CD2-CB 3.79Å; L54-A68 HydrophobicContact CG-CB 4.25Å; C64-A68 PolarHBondContact O-N 2.86Å; R65-A68 PolarHBondContact O-N 3.39Å; A68-Y70 VanDerWaalsContact C-N 3.35Å; A68-Y70 PolarHBondContact O-N 2.84Å; A68-L71 PolarHBondContact O-N 2.97Å; A68-L72 VanDerWaalsContact O-CB 3.24Å; A68-L72 WeakPolarHBondContact O-CB 3.46Å; A68-L72 WeakPolarHBondContact O-CG 3.24Å; A68-L72 PolarHBondContact O-N 3.16Å; A68-Y76 HydrophobicContact CB-CD2 3.95Å; A68-Y76 HydrophobicContact CB-CE2 4.06Å
69	N	91.1	Very high	86.8	Confident	9 Å²	9	42.7 Å²	42.7	5%	0.048	20%	0.2	C	C	.	.	H	α-helix	trans	-64.7	-37	176.3	-82.5	-42.1	0	0	0	113	R65 E66 L67 F73 G74 L75 Y76 N77	R65-N69 WeakPolarHBondContact O-CB 3.38Å; R65-N69 PolarHBondContact O-N 3.34Å; R65-N69 PolarHBondContact O-ND2 2.92Å; R65-N69 VanDerWaalsContact O-ND2 3.13Å; E66-N69 PolarHBondContact O-N 2.88Å; L67-N69 VanDerWaalsContact C-N 3.34Å; L67-N69 PolarHBondContact O-N 3.38Å; N69-F73 PolarHBondContact O-N 2.83Å; N69-F73 VanDerWaalsContact O-N 3.08Å; N69-G74 PolarHBondContact O-N 3.38Å; N69-G74 WeakPolarHBondContact OD1-CA 3.04Å; N69-L75 PolarHBondContact OD1-N 2.87Å; N69-Y76 VanDerWaalsContact OD1-CA 3.29Å; N69-Y76 WeakPolarHBondContact OD1-CA 3.39Å; N69-Y76 WeakPolarHBondContact OD1-CB 3.44Å; N69-Y76 PolarHBondContact OD1-N 3.12Å; N69-N77 VanDerWaalsContact ND2-CG 3.27Å; N69-N77 PolarHBondContact ND2-OD1 3.4Å; N69-N77 PolarHBondContact OD1-N 3.14Å
70	Y	92.1	Very high	84.7	Confident	19 Å²	19	41.8 Å²	41.8	8%	0.075	21%	0.21	C	C	.	.	H	α-helix	trans	-60.7	-49.7	172.2	178	-108.7	0	0	0	111	R31 Q34 V35 E66 L67 A68 L72 V215 Y216	R31-Y70 HydrophobicContact CB-CD1 4.32Å; R31-Y70 HydrophobicContact CB-CE1 3.65Å; R31-Y70 WeakPolarHBondContact CD-O 3.11Å; R31-Y70 HydrophobicContact CG-CE1 3.91Å; R31-Y70 HydrophobicContact CG-CE2 4.13Å; R31-Y70 PolarHBondContact NH1-O 3.03Å; Q34-Y70 PolarHBondContact OE1-OH 2.9Å; V35-Y70 HydrophobicContact CG2-CD1 4.22Å; V35-Y70 HydrophobicContact CG2-CE1 4.02Å; E66-Y70 PolarHBondContact O-N 3.27Å; L67-Y70 PolarHBondContact O-N 3.17Å; A68-Y70 VanDerWaalsContact C-N 3.35Å; A68-Y70 PolarHBondContact O-N 2.84Å; Y70-L72 PolarHBondContact O-N 3.4Å; Y70-V215 HydrophobicContact CE1-CG1 3.77Å; Y70-V215 WeakPolarHBondContact OH-CG1 3.19Å; Y70-Y216 AromaticContact CD1-CD1 3.75Å; Y70-Y216 HydrophobicContact CD1-CD1 3.75Å; Y70-Y216 AromaticContact CD1-CE1 3.68Å; Y70-Y216 HydrophobicContact CD1-CE1 3.68Å; Y70-Y216 AromaticContact CD2-CD1 3.66Å; Y70-Y216 HydrophobicContact CD2-CD1 3.66Å; Y70-Y216 HydrophobicContact CD2-CE1 4.31Å; Y70-Y216 HydrophobicContact CD2-CG 4.39Å; Y70-Y216 HydrophobicContact CE1-CD1 4.15Å; Y70-Y216 HydrophobicContact CE1-CE1 4.35Å; Y70-Y216 HydrophobicContact CE2-CD1 4.09Å; Y70-Y216 AromaticContact CG-CD1 3.47Å; Y70-Y216 HydrophobicContact CG-CD1 3.47Å; Y70-Y216 VanDerWaalsContact CG-CD1 3.47Å; Y70-Y216 AromaticContact CG-CE1 3.64Å; Y70-Y216 HydrophobicContact CG-CE1 3.64Å; Y70-Y216 HydrophobicContact CG-CG 4.48Å
71	L	93.6	Very high	82.6	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-70.8	-32.2	-177.9	-68	171	0	0	0	113.7	R31 L32 V35 L67 A68 I100 W124	R31-L71 HydrophobicContact CB-CD2 4.22Å; L32-L71 HydrophobicContact CB-CD2 4.33Å; V35-L71 HydrophobicContact CG2-CD2 4.22Å; L67-L71 HydrophobicContact CD1-CD1 3.94Å; L67-L71 HydrophobicContact CD1-CG 4.22Å; L67-L71 HydrophobicContact CG-CD1 4.24Å; L67-L71 PolarHBondContact O-N 2.7Å; A68-L71 PolarHBondContact O-N 2.97Å; L71-I100 HydrophobicContact CD1-CD1 3.54Å; L71-W124 HydrophobicContact CB-CH2 4.25Å; L71-W124 HydrophobicContact CB-CZ2 4.14Å; L71-W124 HydrophobicContact CD1-CH2 4.38Å
72	L	91.8	Very high	80.6	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	22.4	-170.9	-55.4	169.1	0	0	0	112.8	A68 Y70 G74 L75 Y76 L117 Y120 V121 W124	A68-L72 VanDerWaalsContact O-CB 3.24Å; A68-L72 WeakPolarHBondContact O-CB 3.46Å; A68-L72 WeakPolarHBondContact O-CG 3.24Å; A68-L72 PolarHBondContact O-N 3.16Å; Y70-L72 PolarHBondContact O-N 3.4Å; L72-G74 PolarHBondContact O-N 3.03Å; L72-L75 HydrophobicContact CB-CB 3.93Å; L72-L75 HydrophobicContact CB-CD2 4.41Å; L72-L75 HydrophobicContact CD1-CD2 4.4Å; L72-L75 WeakPolarHBondContact O-CB 3.35Å; L72-L75 PolarHBondContact O-N 3.46Å; L72-Y76 HydrophobicContact CD1-CD2 4.38Å; L72-Y76 HydrophobicContact CD1-CE2 3.57Å; L72-L117 HydrophobicContact CD1-CD2 3.72Å; L72-L117 HydrophobicContact CD2-CD2 4.3Å; L72-Y120 HydrophobicContact CD2-CG 4.19Å; L72-V121 HydrophobicContact CD2-CG1 3.65Å; L72-W124 HydrophobicContact CD2-CH2 4.33Å; L72-W124 HydrophobicContact CD2-CZ2 4.45Å
73	F	88.9	Confident	78.9	Confident	37 Å²	37	40.1 Å²	40.1	16%	0.162	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	44.4	174.4	-48.4	-80	0	0	0	114.5	V27 N69 Y120 M222	V27-F73 HydrophobicContact CB-CE1 4.25Å; V27-F73 HydrophobicContact CB-CZ 4.35Å; V27-F73 HydrophobicContact CG1-CE1 3.87Å; V27-F73 HydrophobicContact CG1-CZ 4.38Å; N69-F73 PolarHBondContact O-N 2.83Å; N69-F73 VanDerWaalsContact O-N 3.08Å; F73-Y120 AromaticContact CD2-CD1 3.54Å; F73-Y120 HydrophobicContact CD2-CD1 3.54Å; F73-Y120 AromaticContact CD2-CE1 3.8Å; F73-Y120 HydrophobicContact CD2-CE1 3.8Å; F73-Y120 AromaticContact CE2-CD1 3.99Å; F73-Y120 HydrophobicContact CE2-CD1 3.99Å; F73-M222 HydrophobicContact CD1-CB 4.15Å; F73-M222 HydrophobicContact CD1-CE 4.24Å; F73-M222 HydrophobicContact CD1-CG 3.67Å; F73-M222 HydrophobicContact CD1-SD 4.43Å; F73-M222 HydrophobicContact CE1-CB 4.33Å; F73-M222 HydrophobicContact CE1-CG 3.56Å
74	G	84.9	Confident	77	Confident	23 Å²	23	48.1 Å²	48.1	24%	0.237	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	76	20.2	176.6	0	0	0	0	0	114.4	N69 L72 Y76 N77	N69-G74 PolarHBondContact O-N 3.38Å; N69-G74 WeakPolarHBondContact OD1-CA 3.04Å; L72-G74 PolarHBondContact O-N 3.03Å; G74-Y76 PolarHBondContact O-N 2.86Å; G74-Y76 VanDerWaalsContact O-N 3.12Å; G74-N77 PolarHBondContact O-N 2.83Å
75	L	83.5	Confident	75.1	Confident	26 Å²	26	55.6 Å²	55.6	14%	0.136	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-36.6	-179.7	-176.6	65	0	0	0	113.2	N69 L72 Q78 L117 Y120	N69-L75 PolarHBondContact OD1-N 2.87Å; L72-L75 HydrophobicContact CB-CB 3.93Å; L72-L75 HydrophobicContact CB-CD2 4.41Å; L72-L75 HydrophobicContact CD1-CD2 4.4Å; L72-L75 WeakPolarHBondContact O-CB 3.35Å; L72-L75 PolarHBondContact O-N 3.46Å; L75-Q78 WeakPolarHBondContact O-CG 3.37Å; L75-Q78 PolarHBondContact O-NE2 2.88Å; L75-L117 HydrophobicContact CD2-CD2 3.89Å; L75-Y120 HydrophobicContact CD1-CE2 4.06Å; L75-Y120 HydrophobicContact CD2-CD2 4.41Å; L75-Y120 HydrophobicContact CD2-CE2 4.2Å
76	Y	80.8	Confident	73.7	Confident	20 Å²	20	53.4 Å²	53.4	8%	0.078	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	9.7	-178.4	-55.6	-74.7	0	0	0	113.5	L54 A68 N69 L72 G74 Q78 L93 D94	L54-Y76 HydrophobicContact CD1-CD2 3.89Å; L54-Y76 HydrophobicContact CD1-CE1 4.2Å; L54-Y76 HydrophobicContact CD1-CE2 3.43Å; L54-Y76 VanDerWaalsContact CD1-CE2 3.43Å; L54-Y76 HydrophobicContact CD1-CG 4.41Å; A68-Y76 HydrophobicContact CB-CD2 3.95Å; A68-Y76 HydrophobicContact CB-CE2 4.06Å; N69-Y76 VanDerWaalsContact OD1-CA 3.29Å; N69-Y76 WeakPolarHBondContact OD1-CA 3.39Å; N69-Y76 WeakPolarHBondContact OD1-CB 3.44Å; N69-Y76 PolarHBondContact OD1-N 3.12Å; L72-Y76 HydrophobicContact CD1-CD2 4.38Å; L72-Y76 HydrophobicContact CD1-CE2 3.57Å; G74-Y76 PolarHBondContact O-N 2.86Å; G74-Y76 VanDerWaalsContact O-N 3.12Å; Y76-Q78 VanDerWaalsContact C-N 3.34Å; Y76-L93 WeakPolarHBondContact CE1-O 3.43Å; Y76-D94 WeakPolarHBondContact CD1-OD1 3.4Å
77	N	73.1	Confident	72.5	Confident	109 Å²	109	54.5 Å²	54.5	58%	0.583	30%	0.302	S	S	*	.			trans	-94.5	13.7	173.1	-86.4	-15.5	0	0	0	112.5	N69 G74	N69-N77 VanDerWaalsContact ND2-CG 3.27Å; N69-N77 PolarHBondContact ND2-OD1 3.4Å; N69-N77 PolarHBondContact OD1-N 3.14Å; G74-N77 PolarHBondContact O-N 2.83Å
78	Q	60.2	Low	71.5	Confident	71 Å²	71	58.8 Å²	58.8	33%	0.332	32%	0.321	S	S	.	.			trans	-70.9	141	-172.7	-70.4	-179.7	45.7	0	0	112	L75 Y76 D82 F83	L75-Q78 WeakPolarHBondContact O-CG 3.37Å; L75-Q78 PolarHBondContact O-NE2 2.88Å; Y76-Q78 VanDerWaalsContact C-N 3.34Å; Q78-D82 HydrophobicContact CB-CB 4.24Å; Q78-F83 HydrophobicContact CB-CE2 4.24Å; Q78-F83 WeakPolarHBondContact O-CE2 3.43Å
79	N	53.7	Low	70.8	Confident	119 Å²	119	61.7 Å²	61.7	64%	0.636	34%	0.342	S	S	*	.			trans	-66.5	153.3	173.9	-70.8	-39.1	0	0	0	110.2	S81 D82	N79-S81 PolarHBondContact O-N 3.35Å; N79-D82 PolarHBondContact O-N 2.96Å
80	T	49.7	Very low	70.2	Confident	121 Å²	121	65.7 Å²	65.7	74%	0.742	36%	0.36	S	S	*	.	H	α-helix	trans	-49.1	-26.4	178.7	-35.5	0	0	0	0	113.8
81	S	47.3	Very low	69.8	Low	67 Å²	67	71 Å²	71	47%	0.469	39%	0.386	S	S	.	.	H	α-helix	trans	-77.1	-13.5	179.6	56.2	0	0	0	0	115.7	N79	N79-S81 PolarHBondContact O-N 3.35Å
82	D	51.1	Low	69.4	Low	51 Å²	51	73 Å²	73	27%	0.273	40%	0.398	S	S	.	.	H	α-helix	trans	-92.4	-25.6	175.8	-74.3	-39	0	0	0	112.6	Q78 N79 E84 K85 T86	Q78-D82 HydrophobicContact CB-CB 4.24Å; N79-D82 PolarHBondContact O-N 2.96Å; D82-E84 VanDerWaalsContact C-N 3.29Å; D82-E84 PolarHBondContact O-N 3.45Å; D82-K85 VanDerWaalsContact O-CB 3.31Å; D82-K85 WeakPolarHBondContact O-CB 3.19Å; D82-K85 PolarHBondContact O-N 2.8Å; D82-K85 WeakPolarHBondContact OD1-CE 3.44Å; D82-K85 IonicContact OD1-NZ 3.63Å; D82-K85 PolarHBondContact OD1-NZ 2.88Å; D82-T86 PolarHBondContact O-N 3.02Å
83	F	53.3	Low	69.1	Low	40 Å²	40	73.9 Å²	73.9	18%	0.175	40%	0.403	C	S	.	.	H	α-helix	trans	-63.3	-34.2	172	-68.5	-84	0	0	0	112.5	Q78 K85 T86 G87 E90 L93	Q78-F83 HydrophobicContact CB-CE2 4.24Å; Q78-F83 WeakPolarHBondContact O-CE2 3.43Å; F83-K85 PolarHBondContact O-N 3.14Å; F83-K85 VanDerWaalsContact O-N 3.15Å; F83-T86 PolarHBondContact O-N 3.01Å; F83-T86 PolarHBondContact O-OG1 3.01Å; F83-G87 PolarHBondContact O-N 3.45Å; F83-E90 HydrophobicContact CE1-CB 4.4Å; F83-E90 HydrophobicContact CE1-CG 4.39Å; F83-E90 HydrophobicContact CZ-CG 4.5Å; F83-L93 HydrophobicContact CD1-CD1 3.76Å; F83-L93 HydrophobicContact CE1-CD1 3.83Å
84	E	52.5	Low	69.1	Low	168 Å²	168	72.6 Å²	72.6	79%	0.785	40%	0.397	S	S	*	.	H	α-helix	trans	-61.8	-21.8	172.4	-66.2	-174.2	165.2	0	0	112.7	D82	D82-E84 VanDerWaalsContact C-N 3.29Å; D82-E84 PolarHBondContact O-N 3.45Å
85	K	56.6	Low	69.4	Low	158 Å²	158	72.3 Å²	72.3	69%	0.687	39%	0.39	S	S	*	.	H	α-helix	trans	-86.7	-25.3	178.9	-59.8	174.5	-172.9	157.1	0	113.2	D82 F83	D82-K85 VanDerWaalsContact O-CB 3.31Å; D82-K85 WeakPolarHBondContact O-CB 3.19Å; D82-K85 PolarHBondContact O-N 2.8Å; D82-K85 WeakPolarHBondContact OD1-CE 3.44Å; D82-K85 IonicContact OD1-NZ 3.63Å; D82-K85 PolarHBondContact OD1-NZ 2.88Å; F83-K85 PolarHBondContact O-N 3.14Å; F83-K85 VanDerWaalsContact O-N 3.15Å
86	T	61.6	Low	70.1	Confident	37 Å²	37	71.1 Å²	71.1	23%	0.227	38%	0.384	C	S	.	.	H	α-helix	trans	-83.4	-28.2	178.3	60.6	0	0	0	0	111.7	D82 F83 F88	D82-T86 PolarHBondContact O-N 3.02Å; F83-T86 PolarHBondContact O-N 3.01Å; F83-T86 PolarHBondContact O-OG1 3.01Å; T86-F88 VanDerWaalsContact C-N 3.3Å; T86-F88 VanDerWaalsContact O-CD2 3.29Å; T86-F88 WeakPolarHBondContact O-CD2 3.18Å
87	G	67.5	Low	70.9	Confident	68 Å²	68	70.2 Å²	70.2	70%	0.701	38%	0.381	S	S	*	.			trans	78.2	10.3	178.3	0	0	0	0	0	114.5	F83	F83-G87 PolarHBondContact O-N 3.45Å
88	F	74.6	Confident	72.1	Confident	90 Å²	90	65.1 Å²	65.1	40%	0.395	35%	0.353	S	S	.	.	S	Bend	trans	-119.8	151.2	177.5	-65.4	-80.1	0	0	0	110.6	T86 V92 L93 V112	T86-F88 VanDerWaalsContact C-N 3.3Å; T86-F88 VanDerWaalsContact O-CD2 3.29Å; T86-F88 WeakPolarHBondContact O-CD2 3.18Å; F88-V92 HydrophobicContact CB-CG1 4.49Å; F88-V92 HydrophobicContact CD1-CG1 4.28Å; F88-L93 HydrophobicContact CB-CD2 4.49Å; F88-L93 HydrophobicContact CB-CG 4.41Å; F88-V112 HydrophobicContact CD1-CG1 4.09Å; F88-V112 HydrophobicContact CD1-CG2 4.49Å; F88-V112 HydrophobicContact CD2-CG1 3.97Å; F88-V112 HydrophobicContact CE1-CG1 4.06Å; F88-V112 HydrophobicContact CE1-CG2 4.02Å; F88-V112 HydrophobicContact CE2-CG1 3.94Å; F88-V112 HydrophobicContact CG-CG1 4.05Å; F88-V112 HydrophobicContact CZ-CG1 3.98Å; F88-V112 HydrophobicContact CZ-CG2 4.34Å
89	S	78.6	Confident	73.9	Confident	62 Å²	62	61.7 Å²	61.7	43%	0.434	34%	0.337	S	S	.	.			trans	-72.1	159.4	176.7	60.7	0	0	0	0	112	E91 V92 L93	S89-E91 VanDerWaalsContact C-N 3.27Å; S89-E91 PolarHBondContact O-N 3.06Å; S89-V92 PolarHBondContact O-N 3.06Å; S89-V92 WeakPolarHBondContact OG-CG2 3.15Å; S89-L93 PolarHBondContact O-N 3.11Å
90	E	79.7	Confident	75.9	Confident	93 Å²	93	56 Å²	56	44%	0.435	31%	0.307	S	S	.	.	H	α-helix	trans	-57.6	-40.4	174.3	-172	172.7	-167.2	0	0	111.4	F83 V92 L93 D94	F83-E90 HydrophobicContact CE1-CB 4.4Å; F83-E90 HydrophobicContact CE1-CG 4.39Å; F83-E90 HydrophobicContact CZ-CG 4.5Å; E90-V92 VanDerWaalsContact C-N 3.32Å; E90-V92 PolarHBondContact O-N 3.4Å; E90-L93 PolarHBondContact O-N 3.03Å; E90-D94 WeakPolarHBondContact O-CB 3.5Å; E90-D94 PolarHBondContact O-N 3.2Å
91	E	82.1	Confident	78.1	Confident	130 Å²	130	50.9 Å²	50.9	61%	0.607	27%	0.274	S	S	*	.	H	α-helix	trans	-57.8	-40.3	177.4	-64.6	176.5	171.5	0	0	113.2	S89 D95	S89-E91 VanDerWaalsContact C-N 3.27Å; S89-E91 PolarHBondContact O-N 3.06Å; E91-D95 PolarHBondContact O-N 3.01Å
92	V	85.3	Confident	80.2	Confident	44 Å²	44	50.5 Å²	50.5	27%	0.267	27%	0.272	S	S	.	.	H	α-helix	trans	-71	-35	177.9	173.2	0	0	0	0	110.9	F88 S89 E90 N110 V112 N113	F88-V92 HydrophobicContact CB-CG1 4.49Å; F88-V92 HydrophobicContact CD1-CG1 4.28Å; S89-V92 PolarHBondContact O-N 3.06Å; S89-V92 WeakPolarHBondContact OG-CG2 3.15Å; E90-V92 VanDerWaalsContact C-N 3.32Å; E90-V92 PolarHBondContact O-N 3.4Å; V92-N110 PolarHBondContact O-ND2 2.68Å; V92-V112 HydrophobicContact CG1-CB 4.19Å; V92-V112 HydrophobicContact CG1-CG1 4.22Å; V92-V112 HydrophobicContact CG1-CG2 4.27Å; V92-N113 PolarHBondContact O-ND2 2.95Å
93	L	85.6	Confident	82	Confident	18 Å²	18	50.4 Å²	50.4	9%	0.094	27%	0.271	C	S	.	.	H	α-helix	trans	-78.2	-30.7	-178.8	-66.6	175.3	0	0	0	112.5	Y76 F83 F88 S89 E90 D95 N113 Y116	Y76-L93 WeakPolarHBondContact CE1-O 3.43Å; F83-L93 HydrophobicContact CD1-CD1 3.76Å; F83-L93 HydrophobicContact CE1-CD1 3.83Å; F88-L93 HydrophobicContact CB-CD2 4.49Å; F88-L93 HydrophobicContact CB-CG 4.41Å; S89-L93 PolarHBondContact O-N 3.11Å; E90-L93 PolarHBondContact O-N 3.03Å; L93-D95 VanDerWaalsContact C-N 3.34Å; L93-N113 WeakPolarHBondContact CA-OD1 3.47Å; L93-N113 WeakPolarHBondContact CD2-OD1 3.4Å; L93-N113 PolarHBondContact O-ND2 3.4Å; L93-N113 VanDerWaalsContact O-ND2 3.07Å; L93-N113 PolarHBondContact O-OD1 3.4Å; L93-Y116 HydrophobicContact CD2-CD2 4.31Å; L93-Y116 HydrophobicContact CD2-CE2 4.37Å
94	D	88.8	Confident	83.9	Confident	10 Å²	10	48.8 Å²	48.8	5%	0.053	27%	0.265	C	S	.	.	S	Bend	trans	-85.3	-4.4	-179.9	-76.4	-2.4	0	0	0	113.8	L54 Y76 E90 V96	L54-D94 CarbonylContact C-O 3.59Å; L54-D94 HydrophobicContact CB-CB 4.44Å; L54-D94 WeakPolarHBondContact CB-O 3.31Å; Y76-D94 WeakPolarHBondContact CD1-OD1 3.4Å; E90-D94 WeakPolarHBondContact O-CB 3.5Å; E90-D94 PolarHBondContact O-N 3.2Å; D94-V96 PolarHBondContact O-N 3.05Å
95	D	93.1	Very high	86	Confident	17 Å²	17	40.8 Å²	40.8	9%	0.091	23%	0.228	C	C	.	.			trans	-73.2	73.6	175.8	-173.4	30.3	0	0	0	111.6	E91 L93 N113 K147	E91-D95 PolarHBondContact O-N 3.01Å; L93-D95 VanDerWaalsContact C-N 3.34Å; D95-N113 PolarHBondContact O-ND2 2.94Å; D95-K147 IonicContact OD1-NZ 2.95Å
96	V	96.3	Very high	87.9	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	132.8	-174.2	179.3	0	0	0	0	110.6	L54 D94 I98 L107 Y108 C109 N113 L117	L54-V96 HydrophobicContact CD1-CB 4.22Å; L54-V96 PolarHBondContact N-O 3.31Å; L54-V96 VanDerWaalsContact N-O 3.16Å; D94-V96 PolarHBondContact O-N 3.05Å; V96-I98 HydrophobicContact CG1-CD1 4.37Å; V96-I98 HydrophobicContact CG1-CG1 3.94Å; V96-L107 HydrophobicContact CG1-CD1 3.64Å; V96-Y108 WeakPolarHBondContact CA-O 3.13Å; V96-C109 HydrophobicContact CG2-CB 4.26Å; V96-N113 HydrophobicContact CG2-CB 4.15Å; V96-N113 WeakPolarHBondContact CG2-ND2 3.45Å; V96-L117 HydrophobicContact CG1-CD1 4.21Å; V96-L117 HydrophobicContact CG2-CD1 4.02Å
97	I	98.1	Very high	89.6	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126.4	172.8	-50.9	168.6	0	0	0	108.6	L51 I53 L107 Y108 K147 F151 M154 I184	L51-I97 HydrophobicContact CD1-CG2 3.8Å; I53-I97 HydrophobicContact CG1-CG1 4.43Å; I53-I97 HydrophobicContact CG1-CG2 3.85Å; I53-I97 HydrophobicContact CG2-CG1 4.48Å; I97-L107 WeakPolarHBondContact O-CA 3.39Å; I97-Y108 HydrophobicContact CD1-CD1 4.21Å; I97-Y108 HydrophobicContact CG1-CD1 4.18Å; I97-Y108 PolarHBondContact N-O 3.4Å; I97-Y108 PolarHBondContact O-N 2.92Å; I97-K147 HydrophobicContact CD1-CG 4.4Å; I97-F151 HydrophobicContact CD1-CB 4.48Å; I97-F151 HydrophobicContact CD1-CD2 4.42Å; I97-F151 HydrophobicContact CG2-CD2 4.4Å; I97-M154 HydrophobicContact CB-CE 4.33Å; I97-M154 HydrophobicContact CG2-CE 3.86Å; I97-I184 HydrophobicContact CD1-CD1 4.41Å; I97-I184 HydrophobicContact CD1-CG1 3.95Å
98	I	98.1	Very high	91	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	122.9	178.4	-41.4	-172.7	0	0	0	108.6	C52 V96 I100 V105 L107	C52-I98 HydrophobicContact CB-CB 4.2Å; C52-I98 PolarHBondContact N-O 3.32Å; C52-I98 PolarHBondContact O-N 2.92Å; V96-I98 HydrophobicContact CG1-CD1 4.37Å; V96-I98 HydrophobicContact CG1-CG1 3.94Å; I98-I100 HydrophobicContact CG2-CD1 4.49Å; I98-I100 HydrophobicContact CG2-CG1 3.96Å; I98-V105 HydrophobicContact CG2-CG1 3.92Å; I98-L107 HydrophobicContact CD1-CD1 4.23Å; I98-L107 HydrophobicContact CG1-CD1 3.72Å
99	L	97.9	Very high	92	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	115.2	168.4	179.4	69.6	0	0	0	109.3	L51 K101 V105 H106 M154 V155	L51-L99 HydrophobicContact CB-CD1 4.08Å; L51-L99 HydrophobicContact CD1-CD1 4.37Å; L99-K101 HydrophobicContact CG-CG 4.46Å; L99-V105 WeakPolarHBondContact O-CA 3.5Å; L99-H106 HydrophobicContact CB-CB 4.34Å; L99-H106 PolarHBondContact N-O 2.83Å; L99-H106 PolarHBondContact O-N 2.84Å; L99-M154 HydrophobicContact CB-CE 3.66Å; L99-M154 VanDerWaalsContact CD2-C 3.44Å; L99-M154 HydrophobicContact CD2-CB 3.92Å; L99-M154 WeakPolarHBondContact CD2-O 3.41Å; L99-V155 HydrophobicContact CD2-CG1 4.37Å
100	I	97.4	Very high	92.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	116.9	-179.2	-57.2	167.5	0	0	0	108.1	L32 V35 Q36 L39 G49 I50 L67 L71 I98	L32-I100 HydrophobicContact CD1-CD1 4.34Å; L32-I100 HydrophobicContact CD1-CG1 4.3Å; L32-I100 HydrophobicContact CD1-CG2 3.83Å; V35-I100 HydrophobicContact CG1-CD1 3.84Å; V35-I100 HydrophobicContact CG1-CG2 4.3Å; Q36-I100 HydrophobicContact CG-CG2 3.63Å; L39-I100 WeakPolarHBondContact CD1-O 3.25Å; G49-I100 CarbonylContact C-O 3.59Å; G49-I100 WeakPolarHBondContact CA-O 3.49Å; I50-I100 PolarHBondContact N-O 3.17Å; I50-I100 PolarHBondContact O-N 2.85Å; L67-I100 HydrophobicContact CD2-CD1 4.44Å; L71-I100 HydrophobicContact CD1-CD1 3.54Å; I98-I100 HydrophobicContact CG2-CD1 4.49Å; I98-I100 HydrophobicContact CG2-CG1 3.96Å
101	K	94.6	Very high	93.4	Very high	12 Å²	12	17.2 Å²	17.2	5%	0.052	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	172.6	173.2	-65.5	179.5	178.6	166.5	0	110.1	Q36 L99 D103 S104 H106 M154 D157	Q36-K101 WeakPolarHBondContact CG-O 3.29Å; Q36-K101 PolarHBondContact NE2-O 3.41Å; L99-K101 HydrophobicContact CG-CG 4.46Å; K101-D103 PolarHBondContact O-N 3.15Å; K101-S104 WeakPolarHBondContact CA-O 3.31Å; K101-S104 PolarHBondContact N-O 2.74Å; K101-H106 PolarHBondContact NZ-NE2 3.39Å; K101-M154 PolarHBondContact NZ-O 3.43Å; K101-D157 IonicContact NZ-OD1 3.18Å; K101-D157 PolarHBondContact NZ-OD1 3.45Å; K101-D157 IonicContact NZ-OD2 2.63Å; K101-D157 PolarHBondContact NZ-OD2 3.19Å
102	S	91.4	Very high	93.8	Very high	60 Å²	60	12.7 Å²	12.7	42%	0.42	8%	0.075	S	C	.	.	S	Bend	trans	-60.6	-30.5	-176.3	70	0	0	0	0	114.1
103	D	89.9	Confident	94	Very high	49 Å²	49	10.7 Å²	10.7	26%	0.262	6%	0.063	S	C	.	.	S	Bend	trans	-133.9	3.5	-174.9	68.7	-29.6	0	0	0	114	K101 N126 S967	K101-D103 PolarHBondContact O-N 3.15Å; D103-N126 WeakPolarHBondContact O-CB 3.43Å; D103-N126 PolarHBondContact O-ND2 3.47Å; D103-S967 WeakPolarHBondContact OD2-CB 3.34Å; D103-S967 PolarHBondContact OD2-N 2.86Å; D103-S967 PolarHBondContact OD2-OG 2.86Å
104	S	93.2	Very high	94.3	Very high	6 Å²	6	10.3 Å²	10.3	4%	0.042	6%	0.061	C	C	.	.			trans	-148.9	164.5	178.9	69.9	0	0	0	0	112.6	K101 N126	K101-S104 WeakPolarHBondContact CA-O 3.31Å; K101-S104 PolarHBondContact N-O 2.74Å; S104-N126 WeakPolarHBondContact CA-O 3.49Å; S104-N126 WeakPolarHBondContact CB-O 3.33Å
105	V	95.9	Very high	94.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	128.5	173.7	-175.5	0	0	0	0	109.1	L32 I98 L99 W124 N126 L127 H128	L32-V105 HydrophobicContact CD1-CG2 3.71Å; L32-V105 HydrophobicContact CD2-CG2 3.66Å; L32-V105 HydrophobicContact CG-CG2 4.27Å; I98-V105 HydrophobicContact CG2-CG1 3.92Å; L99-V105 WeakPolarHBondContact O-CA 3.5Å; V105-W124 HydrophobicContact CB-CE3 4.18Å; V105-W124 HydrophobicContact CG1-CE3 3.82Å; V105-W124 HydrophobicContact CG1-CZ3 3.84Å; V105-W124 HydrophobicContact CG2-CE3 4.18Å; V105-N126 PolarHBondContact N-O 2.93Å; V105-L127 HydrophobicContact CB-CD1 4.17Å; V105-L127 HydrophobicContact CG1-CD1 4.26Å; V105-L127 WeakPolarHBondContact O-CA 3.45Å; V105-H128 PolarHBondContact O-N 2.88Å
106	H	96.6	Very high	93.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	131.6	170.6	-60.1	-126.4	0	0	0	108.8	L99 K101 H128 H130 M154 Y969	L99-H106 HydrophobicContact CB-CB 4.34Å; L99-H106 PolarHBondContact N-O 2.83Å; L99-H106 PolarHBondContact O-N 2.84Å; K101-H106 PolarHBondContact NZ-NE2 3.39Å; H106-H128 AromaticContact NE2-CD2 3.86Å; H106-H130 AromaticContact ND1-NE2 3.56Å; H106-M154 HydrophobicContact CB-CB 4.35Å; H106-M154 HydrophobicContact CB-CE 3.81Å; H106-M154 HydrophobicContact CB-CG 3.73Å; H106-M154 HydrophobicContact CB-SD 4.38Å; H106-M154 WeakPolarHBondContact O-CE 3.42Å; H106-Y969 AromaticContact CE1-CD1 3.89Å; H106-Y969 AromaticContact CE1-CE1 3.39Å; H106-Y969 WeakPolarHBondContact CE1-CE1 3.3Å; H106-Y969 AromaticContact CE1-CZ 3.55Å
107	L	97.3	Very high	93.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	109.3	-176.9	175.9	64.6	0	0	0	109.1	V96 I97 I98 L117 V121 L127 H128 F129 H130	V96-L107 HydrophobicContact CG1-CD1 3.64Å; I97-L107 WeakPolarHBondContact O-CA 3.39Å; I98-L107 HydrophobicContact CD1-CD1 4.23Å; I98-L107 HydrophobicContact CG1-CD1 3.72Å; L107-L117 HydrophobicContact CD1-CD1 4.29Å; L107-L117 HydrophobicContact CD2-CD1 4.16Å; L107-V121 HydrophobicContact CD2-CB 4.39Å; L107-V121 HydrophobicContact CD2-CG1 4.28Å; L107-V121 HydrophobicContact CD2-CG2 3.83Å; L107-L127 HydrophobicContact CB-CD1 4.17Å; L107-H128 PolarHBondContact N-O 3.4Å; L107-F129 HydrophobicContact CD2-CD1 4.03Å; L107-F129 HydrophobicContact CD2-CE1 3.61Å; L107-F129 HydrophobicContact CD2-CZ 4.48Å; L107-F129 HydrophobicContact CG-CD1 4.45Å; L107-F129 HydrophobicContact CG-CE1 4.49Å; L107-F129 WeakPolarHBondContact O-CA 3.43Å; L107-H130 PolarHBondContact O-N 3.3Å
108	Y	97.5	Very high	93.3	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.016	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	135.4	163	171.7	-90.2	0	0	0	109.6	V96 I97 H130 F146 K147	V96-Y108 WeakPolarHBondContact CA-O 3.13Å; I97-Y108 HydrophobicContact CD1-CD1 4.21Å; I97-Y108 HydrophobicContact CG1-CD1 4.18Å; I97-Y108 PolarHBondContact N-O 3.4Å; I97-Y108 PolarHBondContact O-N 2.92Å; Y108-H130 WeakPolarHBondContact CA-O 3.37Å; Y108-H130 HydrophobicContact CD2-CB 4.12Å; Y108-H130 VanDerWaalsContact CD2-O 3.26Å; Y108-H130 WeakPolarHBondContact CD2-O 3.26Å; Y108-F146 HydrophobicContact CD2-CE1 4.28Å; Y108-F146 AromaticContact CE2-CD1 3.93Å; Y108-F146 HydrophobicContact CE2-CD1 3.93Å; Y108-F146 HydrophobicContact CE2-CE1 4.01Å; Y108-K147 HydrophobicContact CD1-CD 4.4Å; Y108-K147 HydrophobicContact CD1-CG 4.13Å; Y108-K147 HydrophobicContact CD2-CG 4.45Å; Y108-K147 HydrophobicContact CE1-CB 4.24Å; Y108-K147 HydrophobicContact CE1-CD 3.59Å; Y108-K147 HydrophobicContact CE1-CG 3.57Å; Y108-K147 HydrophobicContact CE2-CB 3.79Å; Y108-K147 HydrophobicContact CE2-CG 3.91Å; Y108-K147 VanDerWaalsContact CZ-CG 3.44Å; Y108-K147 WeakPolarHBondContact OH-CB 3.35Å
109	C	95.8	Very high	92.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	149.2	170.4	64.3	0	0	0	0	110.8	V96 N113 L117 H130 C131	V96-C109 HydrophobicContact CG2-CB 4.26Å; C109-N113 HydrophobicContact CB-CB 3.89Å; C109-L117 HydrophobicContact CB-CD1 3.83Å; C109-H130 PolarHBondContact N-O 3.38Å; C109-C131 WeakPolarHBondContact O-CB 3.45Å; C109-C131 PolarHBondContact O-SG 3.1Å
110	N	93.8	Very high	92.6	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	12%	0.12	C	C	.	.			trans	-66.4	164.7	169.7	67.7	21.6	0	0	0	112.5	V92 V112 N113 F114 Y137	V92-N110 PolarHBondContact O-ND2 2.68Å; N110-V112 PolarHBondContact O-N 3.43Å; N110-V112 VanDerWaalsContact O-N 3.16Å; N110-V112 PolarHBondContact OD1-N 3.24Å; N110-N113 PolarHBondContact O-N 3.42Å; N110-N113 WeakPolarHBondContact OD1-CB 3.49Å; N110-N113 VanDerWaalsContact OD1-CG 3.22Å; N110-N113 PolarHBondContact OD1-N 2.99Å; N110-N113 PolarHBondContact OD1-ND2 3.07Å; N110-N113 VanDerWaalsContact OD1-ND2 3.15Å; N110-F114 PolarHBondContact O-N 3.46Å; N110-Y137 HydrophobicContact CB-CE1 4.31Å; N110-Y137 HydrophobicContact CB-CE2 3.74Å; N110-Y137 WeakPolarHBondContact CB-OH 3.41Å
111	P	92.3	Very high	92.4	Very high	7 Å²	7	24.8 Å²	24.8	5%	0.045	12%	0.12	C	C	.	.	H	α-helix	trans	-61.4	-24.2	-177.4	-24.8	34.5	0	0	0	114.7	E134 Y137	P111-E134 HydrophobicContact CB-CG 3.78Å; P111-Y137 HydrophobicContact CG-CD1 4.17Å; P111-Y137 HydrophobicContact CG-CD2 4.1Å; P111-Y137 HydrophobicContact CG-CG 3.72Å
112	V	90.5	Very high	92.3	Very high	36 Å²	36	24.3 Å²	24.3	22%	0.218	12%	0.118	C	C	.	.	H	α-helix	trans	-69.6	-54.6	176	179	0	0	0	0	109.6	F88 V92 N110 F114 R115 Y116	F88-V112 HydrophobicContact CD1-CG1 4.09Å; F88-V112 HydrophobicContact CD1-CG2 4.49Å; F88-V112 HydrophobicContact CD2-CG1 3.97Å; F88-V112 HydrophobicContact CE1-CG1 4.06Å; F88-V112 HydrophobicContact CE1-CG2 4.02Å; F88-V112 HydrophobicContact CE2-CG1 3.94Å; F88-V112 HydrophobicContact CG-CG1 4.05Å; F88-V112 HydrophobicContact CZ-CG1 3.98Å; F88-V112 HydrophobicContact CZ-CG2 4.34Å; V92-V112 HydrophobicContact CG1-CB 4.19Å; V92-V112 HydrophobicContact CG1-CG1 4.22Å; V92-V112 HydrophobicContact CG1-CG2 4.27Å; N110-V112 PolarHBondContact O-N 3.43Å; N110-V112 VanDerWaalsContact O-N 3.16Å; N110-V112 PolarHBondContact OD1-N 3.24Å; V112-F114 VanDerWaalsContact C-N 3.27Å; V112-F114 PolarHBondContact O-N 3.12Å; V112-R115 PolarHBondContact O-N 3.17Å; V112-Y116 HydrophobicContact CG1-CD2 4.27Å; V112-Y116 HydrophobicContact CG1-CE2 3.88Å; V112-Y116 VanDerWaalsContact O-CD2 3.28Å; V112-Y116 WeakPolarHBondContact O-CD2 3.43Å
113	N	90.8	Very high	92.3	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.011	10%	0.102	C	C	.	.	H	α-helix	trans	-62.6	-32.4	179.3	-74.3	-27.3	0	0	0	112.6	V92 L93 D95 V96 C109 N110 R115 Y116 L117	V92-N113 PolarHBondContact O-ND2 2.95Å; L93-N113 WeakPolarHBondContact CA-OD1 3.47Å; L93-N113 WeakPolarHBondContact CD2-OD1 3.4Å; L93-N113 PolarHBondContact O-ND2 3.4Å; L93-N113 VanDerWaalsContact O-ND2 3.07Å; L93-N113 PolarHBondContact O-OD1 3.4Å; D95-N113 PolarHBondContact O-ND2 2.94Å; V96-N113 HydrophobicContact CG2-CB 4.15Å; V96-N113 WeakPolarHBondContact CG2-ND2 3.45Å; C109-N113 HydrophobicContact CB-CB 3.89Å; N110-N113 PolarHBondContact O-N 3.42Å; N110-N113 WeakPolarHBondContact OD1-CB 3.49Å; N110-N113 VanDerWaalsContact OD1-CG 3.22Å; N110-N113 PolarHBondContact OD1-N 2.99Å; N110-N113 PolarHBondContact OD1-ND2 3.07Å; N110-N113 VanDerWaalsContact OD1-ND2 3.15Å; N113-R115 PolarHBondContact O-N 3.2Å; N113-R115 VanDerWaalsContact O-N 3.1Å; N113-Y116 PolarHBondContact O-N 2.93Å; N113-L117 HydrophobicContact CB-CD1 4.08Å; N113-L117 HydrophobicContact CB-CG 4.5Å; N113-L117 WeakPolarHBondContact O-CB 3.4Å; N113-L117 WeakPolarHBondContact O-CG 3.28Å; N113-L117 PolarHBondContact O-N 3.3Å
114	F	91.3	Very high	92.5	Very high	9 Å²	9	20.2 Å²	20.2	4%	0.039	9%	0.091	C	C	.	.	H	α-helix	trans	-48.8	-42.5	175.9	-178	-93	0	0	0	112.4	N110 V112 L118 F129 C131	N110-F114 PolarHBondContact O-N 3.46Å; V112-F114 VanDerWaalsContact C-N 3.27Å; V112-F114 PolarHBondContact O-N 3.12Å; F114-L118 HydrophobicContact CE1-CD1 4.24Å; F114-L118 HydrophobicContact CZ-CD1 4.01Å; F114-L118 WeakPolarHBondContact O-CB 3.07Å; F114-L118 PolarHBondContact O-N 2.8Å; F114-F129 AromaticContact CD2-CD1 3.89Å; F114-F129 HydrophobicContact CD2-CD1 3.89Å; F114-F129 AromaticContact CD2-CE1 3.97Å; F114-F129 HydrophobicContact CD2-CE1 3.97Å; F114-F129 HydrophobicContact CD2-CG 4.43Å; F114-F129 AromaticContact CE2-CD1 3.8Å; F114-F129 HydrophobicContact CE2-CD1 3.8Å; F114-F129 HydrophobicContact CE2-CD2 4.18Å; F114-F129 AromaticContact CE2-CE1 3.88Å; F114-F129 HydrophobicContact CE2-CE1 3.88Å; F114-F129 HydrophobicContact CE2-CE2 4.26Å; F114-F129 AromaticContact CE2-CG 3.94Å; F114-F129 HydrophobicContact CE2-CG 3.94Å; F114-F129 HydrophobicContact CE2-CZ 4.1Å; F114-C131 HydrophobicContact CD2-CB 4.27Å
115	R	87.4	Confident	92.4	Very high	158 Å²	158	22 Å²	22	60%	0.596	10%	0.097	S	C	*	.	H	α-helix	trans	-74	-33.9	-179.2	-62.9	-177	-177.4	-179.1	1.5	113	V112 N113 E134	V112-R115 PolarHBondContact O-N 3.17Å; N113-R115 PolarHBondContact O-N 3.2Å; N113-R115 VanDerWaalsContact O-N 3.1Å; R115-E134 IonicContact CZ-OE1 3.37Å; R115-E134 IonicContact NE-OE1 3.35Å; R115-E134 VanDerWaalsContact NH2-CD 3.26Å; R115-E134 IonicContact NH2-OE1 3.01Å; R115-E134 PolarHBondContact NH2-OE1 3.42Å; R115-E134 IonicContact NH2-OE2 2.84Å; R115-E134 PolarHBondContact NH2-OE2 3.13Å; R115-E134 VanDerWaalsContact NH2-OE2 3.13Å
116	Y	86.7	Confident	92.3	Very high	91 Å²	91	22.2 Å²	22.2	36%	0.357	10%	0.098	S	C	.	.	H	α-helix	trans	-78.5	-35.1	-179.7	-69.5	-72.8	0	0	0	112.6	L93 V112 N113 P119 Y120	L93-Y116 HydrophobicContact CD2-CD2 4.31Å; L93-Y116 HydrophobicContact CD2-CE2 4.37Å; V112-Y116 HydrophobicContact CG1-CD2 4.27Å; V112-Y116 HydrophobicContact CG1-CE2 3.88Å; V112-Y116 VanDerWaalsContact O-CD2 3.28Å; V112-Y116 WeakPolarHBondContact O-CD2 3.43Å; N113-Y116 PolarHBondContact O-N 2.93Å; Y116-P119 VanDerWaalsContact O-CD 3.3Å; Y116-P119 WeakPolarHBondContact O-CD 3.47Å; Y116-Y120 VanDerWaalsContact O-CD2 3.31Å; Y116-Y120 WeakPolarHBondContact O-CD2 3.45Å; Y116-Y120 WeakPolarHBondContact O-CE2 3.37Å
117	L	90.9	Very high	92.2	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-78	-31.1	-179.5	-67.3	174.2	0	0	0	112.7	L72 L75 V96 L107 C109 N113 P119 Y120 V121	L72-L117 HydrophobicContact CD1-CD2 3.72Å; L72-L117 HydrophobicContact CD2-CD2 4.3Å; L75-L117 HydrophobicContact CD2-CD2 3.89Å; V96-L117 HydrophobicContact CG1-CD1 4.21Å; V96-L117 HydrophobicContact CG2-CD1 4.02Å; L107-L117 HydrophobicContact CD1-CD1 4.29Å; L107-L117 HydrophobicContact CD2-CD1 4.16Å; C109-L117 HydrophobicContact CB-CD1 3.83Å; N113-L117 HydrophobicContact CB-CD1 4.08Å; N113-L117 HydrophobicContact CB-CG 4.5Å; N113-L117 WeakPolarHBondContact O-CB 3.4Å; N113-L117 WeakPolarHBondContact O-CG 3.28Å; N113-L117 PolarHBondContact O-N 3.3Å; L117-P119 VanDerWaalsContact O-N 3.17Å; L117-Y120 WeakPolarHBondContact O-CB 3.47Å; L117-Y120 PolarHBondContact O-N 3Å; L117-V121 HydrophobicContact CB-CG2 4.38Å; L117-V121 WeakPolarHBondContact O-CG2 3.49Å; L117-V121 PolarHBondContact O-N 3.45Å; L117-V121 VanDerWaalsContact O-N 3.12Å
118	L	90.6	Very high	92.1	Very high	12 Å²	12	23.1 Å²	23.1	6%	0.063	10%	0.102	C	C	.	.	H	α-helix	trans	-45.7	-48.6	-175.1	-158.4	70.7	0	0	0	114.6	F114 Y120 V121 A122 F129 L909 A912	F114-L118 HydrophobicContact CE1-CD1 4.24Å; F114-L118 HydrophobicContact CZ-CD1 4.01Å; F114-L118 WeakPolarHBondContact O-CB 3.07Å; F114-L118 PolarHBondContact O-N 2.8Å; L118-Y120 PolarHBondContact O-N 3.48Å; L118-Y120 VanDerWaalsContact O-N 3.15Å; L118-V121 PolarHBondContact O-N 2.82Å; L118-A122 HydrophobicContact CD1-CB 4.16Å; L118-A122 HydrophobicContact CG-CB 4.25Å; L118-A122 WeakPolarHBondContact O-CB 3.4Å; L118-A122 PolarHBondContact O-N 3.2Å; L118-F129 HydrophobicContact CD1-CZ 4.18Å; L118-L909 HydrophobicContact CD1-CD1 3.43Å; L118-L909 VanDerWaalsContact CD1-CD1 3.43Å; L118-L909 HydrophobicContact CG-CD1 4.5Å; L118-A912 HydrophobicContact CD2-CB 3.69Å; L118-A912 HydrophobicContact CG-CB 3.66Å
119	P	89.4	Confident	91.9	Very high	40 Å²	40	23 Å²	23	26%	0.26	10%	0.102	S	C	.	.	H	α-helix	trans	-63	-23.2	-178.3	-20.9	35.4	0	0	0	113.9	Y116 L117	Y116-P119 VanDerWaalsContact O-CD 3.3Å; Y116-P119 WeakPolarHBondContact O-CD 3.47Å; L117-P119 VanDerWaalsContact O-N 3.17Å
120	Y	90.4	Very high	91.9	Very high	32 Å²	32	23.3 Å²	23.3	13%	0.125	10%	0.103	C	C	.	.	H	α-helix	trans	-93.1	-39	-175.5	-58.6	-74.2	0	0	0	112.5	S28 L72 F73 L75 Y116 L117 L118	S28-Y120 PolarHBondContact OG-O 2.73Å; L72-Y120 HydrophobicContact CD2-CG 4.19Å; F73-Y120 AromaticContact CD2-CD1 3.54Å; F73-Y120 HydrophobicContact CD2-CD1 3.54Å; F73-Y120 AromaticContact CD2-CE1 3.8Å; F73-Y120 HydrophobicContact CD2-CE1 3.8Å; F73-Y120 AromaticContact CE2-CD1 3.99Å; F73-Y120 HydrophobicContact CE2-CD1 3.99Å; L75-Y120 HydrophobicContact CD1-CE2 4.06Å; L75-Y120 HydrophobicContact CD2-CD2 4.41Å; L75-Y120 HydrophobicContact CD2-CE2 4.2Å; Y116-Y120 VanDerWaalsContact O-CD2 3.31Å; Y116-Y120 WeakPolarHBondContact O-CD2 3.45Å; Y116-Y120 WeakPolarHBondContact O-CE2 3.37Å; L117-Y120 WeakPolarHBondContact O-CB 3.47Å; L117-Y120 PolarHBondContact O-N 3Å; L118-Y120 PolarHBondContact O-N 3.48Å; L118-Y120 VanDerWaalsContact O-N 3.15Å
121	V	94.1	Very high	92	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-106	-22.8	-168.7	-51.8	0	0	0	0	113.9	L72 L107 L117 L118 H123 W124 L127 F129	L72-V121 HydrophobicContact CD2-CG1 3.65Å; L107-V121 HydrophobicContact CD2-CB 4.39Å; L107-V121 HydrophobicContact CD2-CG1 4.28Å; L107-V121 HydrophobicContact CD2-CG2 3.83Å; L117-V121 HydrophobicContact CB-CG2 4.38Å; L117-V121 WeakPolarHBondContact O-CG2 3.49Å; L117-V121 PolarHBondContact O-N 3.45Å; L117-V121 VanDerWaalsContact O-N 3.12Å; L118-V121 PolarHBondContact O-N 2.82Å; V121-H123 PolarHBondContact O-N 3.3Å; V121-W124 HydrophobicContact CB-CD2 3.95Å; V121-W124 HydrophobicContact CB-CE3 3.78Å; V121-W124 HydrophobicContact CB-CH2 4.31Å; V121-W124 HydrophobicContact CB-CZ2 4.45Å; V121-W124 HydrophobicContact CB-CZ3 3.97Å; V121-W124 HydrophobicContact CG1-CD2 4.24Å; V121-W124 HydrophobicContact CG1-CE3 3.94Å; V121-W124 HydrophobicContact CG1-CH2 3.55Å; V121-W124 HydrophobicContact CG1-CZ2 3.86Å; V121-W124 HydrophobicContact CG1-CZ3 3.58Å; V121-W124 VanDerWaalsContact O-CB 3.24Å; V121-W124 WeakPolarHBondContact O-CB 3.32Å; V121-W124 PolarHBondContact O-N 2.93Å; V121-L127 HydrophobicContact CB-CD2 4.15Å; V121-L127 HydrophobicContact CG2-CD2 3.89Å; V121-L127 VanDerWaalsContact O-CD2 3.32Å; V121-L127 WeakPolarHBondContact O-CD2 3.4Å; V121-F129 HydrophobicContact CG2-CE1 4.02Å; V121-F129 HydrophobicContact CG2-CZ 3.67Å
122	A	93.1	Very high	92	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.008	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-16.9	-171.7	0	0	0	0	0	114.8	L118 L878 A912 A913	L118-A122 HydrophobicContact CD1-CB 4.16Å; L118-A122 HydrophobicContact CG-CB 4.25Å; L118-A122 WeakPolarHBondContact O-CB 3.4Å; L118-A122 PolarHBondContact O-N 3.2Å; A122-L878 WeakPolarHBondContact O-CD2 3.44Å; A122-A912 HydrophobicContact CB-CB 4.01Å; A122-A913 HydrophobicContact CB-CB 4.18Å; A122-A913 WeakPolarHBondContact O-CB 3.39Å
123	H	91.4	Very high	92	Very high	19 Å²	19	24 Å²	24	9%	0.088	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-5.4	177.4	-46.8	87.7	0	0	0	113.2	P25 C29 V121 A912 A913 M954	P25-H123 HydrophobicContact CB-CB 4.15Å; P25-H123 VanDerWaalsContact CG-CE1 3.46Å; P25-H123 WeakPolarHBondContact CG-CE1 3.47Å; P25-H123 VanDerWaalsContact CG-NE2 3.31Å; P25-H123 WeakPolarHBondContact CG-NE2 3.34Å; C29-H123 PolarHBondContact SG-O 2.67Å; V121-H123 PolarHBondContact O-N 3.3Å; H123-A912 PolarHBondContact CE1-O 3.33Å; H123-A912 PolarHBondContact ND1-O 2.95Å; H123-A912 PolarHBondContact NE2-O 3.4Å; H123-A913 VanDerWaalsContact CD2-C 3.42Å; H123-A913 PolarHBondContact CD2-O 2.85Å; H123-M954 HydrophobicContact CB-CE 3.9Å
124	W	94.4	Very high	91.8	Very high	5 Å²	5	27.9 Å²	27.9	2%	0.019	12%	0.124	C	C	.	.	S	Bend	trans	-66.8	138.4	175.4	-66.5	-7.1	0	0	0	110	S28 L32 L71 L72 V105 V121 L127	S28-W124 PolarHBondContact OG-NE1 3.34Å; L32-W124 HydrophobicContact CD2-CB 3.9Å; L32-W124 HydrophobicContact CD2-CD2 3.79Å; L32-W124 HydrophobicContact CD2-CE3 4.34Å; L32-W124 HydrophobicContact CD2-CG 3.57Å; L71-W124 HydrophobicContact CB-CH2 4.25Å; L71-W124 HydrophobicContact CB-CZ2 4.14Å; L71-W124 HydrophobicContact CD1-CH2 4.38Å; L72-W124 HydrophobicContact CD2-CH2 4.33Å; L72-W124 HydrophobicContact CD2-CZ2 4.45Å; V105-W124 HydrophobicContact CB-CE3 4.18Å; V105-W124 HydrophobicContact CG1-CE3 3.82Å; V105-W124 HydrophobicContact CG1-CZ3 3.84Å; V105-W124 HydrophobicContact CG2-CE3 4.18Å; V121-W124 HydrophobicContact CB-CD2 3.95Å; V121-W124 HydrophobicContact CB-CE3 3.78Å; V121-W124 HydrophobicContact CB-CH2 4.31Å; V121-W124 HydrophobicContact CB-CZ2 4.45Å; V121-W124 HydrophobicContact CB-CZ3 3.97Å; V121-W124 HydrophobicContact CG1-CD2 4.24Å; V121-W124 HydrophobicContact CG1-CE3 3.94Å; V121-W124 HydrophobicContact CG1-CH2 3.55Å; V121-W124 HydrophobicContact CG1-CZ2 3.86Å; V121-W124 HydrophobicContact CG1-CZ3 3.58Å; V121-W124 VanDerWaalsContact O-CB 3.24Å; V121-W124 WeakPolarHBondContact O-CB 3.32Å; V121-W124 PolarHBondContact O-N 2.93Å; W124-L127 HydrophobicContact CB-CB 4.39Å; W124-L127 HydrophobicContact CE3-CD1 4.14Å
125	R	91.3	Very high	91.6	Very high	44 Å²	44	33.7 Å²	33.7	17%	0.166	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	146	-178.7	-49.3	-147.6	-36.7	108.1	7.4	109.9	L127 D832 D879 N964 A965	R125-L127 PolarHBondContact O-N 3.5Å; R125-D832 IonicContact CZ-OD2 3.46Å; R125-D832 IonicContact NH1-OD2 2.91Å; R125-D832 PolarHBondContact NH1-OD2 2.63Å; R125-D879 WeakPolarHBondContact CA-OD1 3.48Å; R125-D879 WeakPolarHBondContact CB-OD1 3.49Å; R125-D879 IonicContact NH1-OD1 3.22Å; R125-N964 PolarHBondContact NH2-O 2.78Å; R125-A965 PolarHBondContact NH2-O 3.11Å
126	N	92.6	Very high	91.6	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.021	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	46.6	-177.1	-76.7	-15.3	0	0	0	112.5	D103 S104 V105 H128 K876 D879 S967	D103-N126 WeakPolarHBondContact O-CB 3.43Å; D103-N126 PolarHBondContact O-ND2 3.47Å; S104-N126 WeakPolarHBondContact CA-O 3.49Å; S104-N126 WeakPolarHBondContact CB-O 3.33Å; V105-N126 PolarHBondContact N-O 2.93Å; N126-H128 PolarHBondContact O-CD2 2.82Å; N126-H128 PolarHBondContact O-NE2 2.87Å; N126-K876 PolarHBondContact ND2-NZ 3.11Å; N126-K876 WeakPolarHBondContact OD1-CD 3.49Å; N126-K876 VanDerWaalsContact OD1-CE 3.3Å; N126-K876 WeakPolarHBondContact OD1-CE 3.18Å; N126-K876 PolarHBondContact OD1-NZ 3.26Å; N126-D879 PolarHBondContact N-OD1 3.19Å; N126-D879 PolarHBondContact N-OD2 3.38Å; N126-S967 PolarHBondContact ND2-O 3.35Å
127	L	94.8	Very high	91.7	Very high	10 Å²	10	28.8 Å²	28.8	5%	0.052	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	128.6	176.7	178.1	64.2	0	0	0	110.8	V105 L107 V121 W124 R125 F129	V105-L127 HydrophobicContact CB-CD1 4.17Å; V105-L127 HydrophobicContact CG1-CD1 4.26Å; V105-L127 WeakPolarHBondContact O-CA 3.45Å; L107-L127 HydrophobicContact CB-CD1 4.17Å; V121-L127 HydrophobicContact CB-CD2 4.15Å; V121-L127 HydrophobicContact CG2-CD2 3.89Å; V121-L127 VanDerWaalsContact O-CD2 3.32Å; V121-L127 WeakPolarHBondContact O-CD2 3.4Å; W124-L127 HydrophobicContact CB-CB 4.39Å; W124-L127 HydrophobicContact CE3-CD1 4.14Å; R125-L127 PolarHBondContact O-N 3.5Å; L127-F129 HydrophobicContact CD2-CD2 4.1Å; L127-F129 HydrophobicContact CD2-CE1 4.4Å; L127-F129 HydrophobicContact CD2-CE2 3.36Å; L127-F129 HydrophobicContact CD2-CZ 3.56Å; L127-F129 HydrophobicContact CG-CD2 4.23Å; L127-F129 HydrophobicContact CG-CE2 3.99Å; L127-F129 HydrophobicContact CG-CZ 4.4Å
128	H	94.4	Very high	91.6	Very high	8 Å²	8	36.6 Å²	36.6	4%	0.037	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	112.1	177.3	-56.5	-65.6	0	0	0	110.5	V105 H106 L107 N126 F872 Y969	V105-H128 PolarHBondContact O-N 2.88Å; H106-H128 AromaticContact NE2-CD2 3.86Å; L107-H128 PolarHBondContact N-O 3.4Å; N126-H128 PolarHBondContact O-CD2 2.82Å; N126-H128 PolarHBondContact O-NE2 2.87Å; H128-F872 HydrophobicContact CB-CE2 3.94Å; H128-F872 HydrophobicContact CB-CZ 4.23Å; H128-F872 AromaticContact ND1-CZ 3.97Å; H128-Y969 AromaticContact CD2-CD1 3.91Å; H128-Y969 AromaticContact CE1-CD1 3.68Å; H128-Y969 PolarHBondContact CE1-O 2.56Å; H128-Y969 AromaticContact ND1-CD1 3.87Å; H128-Y969 AromaticContact NE2-CD1 3.7Å
129	F	94.8	Very high	91.7	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.009	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	122.2	175.7	-77.5	-76.9	0	0	0	111.3	L107 F114 L118 V121 L127 F872 L909	L107-F129 HydrophobicContact CD2-CD1 4.03Å; L107-F129 HydrophobicContact CD2-CE1 3.61Å; L107-F129 HydrophobicContact CD2-CZ 4.48Å; L107-F129 HydrophobicContact CG-CD1 4.45Å; L107-F129 HydrophobicContact CG-CE1 4.49Å; L107-F129 WeakPolarHBondContact O-CA 3.43Å; F114-F129 AromaticContact CD2-CD1 3.89Å; F114-F129 HydrophobicContact CD2-CD1 3.89Å; F114-F129 AromaticContact CD2-CE1 3.97Å; F114-F129 HydrophobicContact CD2-CE1 3.97Å; F114-F129 HydrophobicContact CD2-CG 4.43Å; F114-F129 AromaticContact CE2-CD1 3.8Å; F114-F129 HydrophobicContact CE2-CD1 3.8Å; F114-F129 HydrophobicContact CE2-CD2 4.18Å; F114-F129 AromaticContact CE2-CE1 3.88Å; F114-F129 HydrophobicContact CE2-CE1 3.88Å; F114-F129 HydrophobicContact CE2-CE2 4.26Å; F114-F129 AromaticContact CE2-CG 3.94Å; F114-F129 HydrophobicContact CE2-CG 3.94Å; F114-F129 HydrophobicContact CE2-CZ 4.1Å; L118-F129 HydrophobicContact CD1-CZ 4.18Å; V121-F129 HydrophobicContact CG2-CE1 4.02Å; V121-F129 HydrophobicContact CG2-CZ 3.67Å; L127-F129 HydrophobicContact CD2-CD2 4.1Å; L127-F129 HydrophobicContact CD2-CE1 4.4Å; L127-F129 HydrophobicContact CD2-CE2 3.36Å; L127-F129 HydrophobicContact CD2-CZ 3.56Å; L127-F129 HydrophobicContact CG-CD2 4.23Å; L127-F129 HydrophobicContact CG-CE2 3.99Å; L127-F129 HydrophobicContact CG-CZ 4.4Å; F129-F872 WeakPolarHBondContact O-CA 3.34Å; F129-F872 WeakPolarHBondContact O-CD2 3.45Å; F129-L909 HydrophobicContact CE2-CD1 4.42Å
130	H	95.2	Very high	91.7	Very high	7 Å²	7	46.2 Å²	46.2	3%	0.032	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	87.8	167.6	-64.4	-93.4	0	0	0	107.8	H106 L107 Y108 C109 F146 D153 F872	H106-H130 AromaticContact ND1-NE2 3.56Å; L107-H130 PolarHBondContact O-N 3.3Å; Y108-H130 WeakPolarHBondContact CA-O 3.37Å; Y108-H130 HydrophobicContact CD2-CB 4.12Å; Y108-H130 VanDerWaalsContact CD2-O 3.26Å; Y108-H130 WeakPolarHBondContact CD2-O 3.26Å; C109-H130 PolarHBondContact N-O 3.38Å; H130-F146 HydrophobicContact CB-CZ 4.47Å; H130-D153 IonicContact CE1-OD2 2.59Å; H130-D153 PolarHBondContact CE1-OD2 3.12Å; H130-F872 AromaticContact CE1-CD2 3.91Å; H130-F872 AromaticContact CE1-CE2 3.6Å; H130-F872 AromaticContact NE2-CE2 3.7Å
131	C	94.9	Very high	91.7	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.007	25%	0.247	C	C	.	.			trans	-146.1	124.5	-174.3	-177.9	0	0	0	0	110.1	C109 F114 H870 R871	C109-C131 WeakPolarHBondContact O-CB 3.45Å; C109-C131 PolarHBondContact O-SG 3.1Å; F114-C131 HydrophobicContact CD2-CB 4.27Å; C131-H870 VanDerWaalsContact O-CB 3.31Å; C131-H870 WeakPolarHBondContact O-CB 3.32Å; C131-R871 HydrophobicContact CB-CB 4.22Å; C131-R871 WeakPolarHBondContact O-CB 3.31Å; C131-R871 PolarHBondContact O-N 2.82Å; C131-R871 VanDerWaalsContact O-N 3.16Å
132	M	93.5	Very high	91.6	Very high	12 Å²	12	53 Å²	53	6%	0.059	26%	0.259	C	S	.	.			trans	-68.9	165	175.3	-65.5	-179.3	82.2	0	0	111.6	E136 A142 A143 F146	M132-E136 HydrophobicContact CE-CB 3.61Å; M132-A142 HydrophobicContact CE-CB 4.49Å; M132-A143 HydrophobicContact SD-CB 4.29Å; M132-F146 HydrophobicContact CE-CB 4.38Å; M132-F146 HydrophobicContact CG-CB 4.13Å; M132-F146 HydrophobicContact CG-CD1 3.31Å; M132-F146 HydrophobicContact CG-CD2 4.03Å; M132-F146 HydrophobicContact CG-CE1 3.64Å; M132-F146 HydrophobicContact CG-CE2 4.31Å; M132-F146 HydrophobicContact CG-CG 3.53Å; M132-F146 HydrophobicContact CG-CZ 4.13Å; M132-F146 HydrophobicContact SD-CB 3.53Å; M132-F146 VanDerWaalsContact SD-CB 3.53Å; M132-F146 HydrophobicContact SD-CD1 3.77Å; M132-F146 HydrophobicContact SD-CD2 4.46Å; M132-F146 HydrophobicContact SD-CG 3.66Å
133	T	89.3	Confident	91.6	Very high	44 Å²	44	53.1 Å²	53.1	27%	0.27	26%	0.26	S	S	.	.			trans	-75.2	161	169	70.1	0	0	0	0	110.9	N135 E136 Y137	T133-N135 PolarHBondContact O-N 3.41Å; T133-E136 WeakPolarHBondContact CB-OE2 3.15Å; T133-E136 WeakPolarHBondContact CG2-OE2 3.39Å; T133-E136 PolarHBondContact N-OE2 2.91Å; T133-E136 PolarHBondContact O-N 3.26Å; T133-E136 WeakPolarHBondContact OG1-CG 3.39Å; T133-E136 PolarHBondContact OG1-OE2 3.49Å; T133-Y137 WeakPolarHBondContact O-CB 3.45Å; T133-Y137 PolarHBondContact O-N 3.47Å; T133-Y137 VanDerWaalsContact O-N 3.14Å
134	E	87.8	Confident	91.6	Very high	84 Å²	84	56.5 Å²	56.5	39%	0.393	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-34	-178.5	-71.6	164.1	-150.9	0	0	111.9	P111 R115 R871	P111-E134 HydrophobicContact CB-CG 3.78Å; R115-E134 IonicContact CZ-OE1 3.37Å; R115-E134 IonicContact NE-OE1 3.35Å; R115-E134 VanDerWaalsContact NH2-CD 3.26Å; R115-E134 IonicContact NH2-OE1 3.01Å; R115-E134 PolarHBondContact NH2-OE1 3.42Å; R115-E134 IonicContact NH2-OE2 2.84Å; R115-E134 PolarHBondContact NH2-OE2 3.13Å; R115-E134 VanDerWaalsContact NH2-OE2 3.13Å; E134-R871 IonicContact OE1-NH2 3.99Å; E134-R871 PolarHBondContact OE1-NH2 3.35Å
135	N	86.2	Confident	91.6	Very high	132 Å²	132	60.3 Å²	60.3	71%	0.706	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-37.7	-179.1	-60.8	-17.7	0	0	0	112.7	T133	T133-N135 PolarHBondContact O-N 3.41Å
136	E	86.9	Confident	91.7	Very high	77 Å²	77	59.8 Å²	59.8	36%	0.36	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-78.3	-26	-177.8	-62.5	160.9	140.4	0	0	111.6	M132 T133 E138 D139 H870	M132-E136 HydrophobicContact CE-CB 3.61Å; T133-E136 WeakPolarHBondContact CB-OE2 3.15Å; T133-E136 WeakPolarHBondContact CG2-OE2 3.39Å; T133-E136 PolarHBondContact N-OE2 2.91Å; T133-E136 PolarHBondContact O-N 3.26Å; T133-E136 WeakPolarHBondContact OG1-CG 3.39Å; T133-E136 PolarHBondContact OG1-OE2 3.49Å; E136-E138 PolarHBondContact O-N 3.15Å; E136-D139 PolarHBondContact O-N 3.47Å; E136-H870 VanDerWaalsContact CD-CE1 3.5Å; E136-H870 VanDerWaalsContact CD-ND1 3.27Å; E136-H870 IonicContact OE1-CE1 3.33Å; E136-H870 PolarHBondContact OE1-CE1 3.43Å; E136-H870 VanDerWaalsContact OE1-CE1 3.29Å; E136-H870 IonicContact OE1-ND1 3.8Å; E136-H870 PolarHBondContact OE1-ND1 2.91Å; E136-H870 IonicContact OE2-CE1 3.52Å; E136-H870 PolarHBondContact OE2-CE1 3.28Å; E136-H870 IonicContact OE2-CG 3.97Å; E136-H870 IonicContact OE2-ND1 2.95Å; E136-H870 PolarHBondContact OE2-ND1 2.77Å
137	Y	90	Very high	91.8	Very high	69 Å²	69	60 Å²	60	27%	0.271	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-73.1	-9.6	177.1	-168.9	-97.4	0	0	0	113.4	N110 P111 T133 D139 A143	N110-Y137 HydrophobicContact CB-CE1 4.31Å; N110-Y137 HydrophobicContact CB-CE2 3.74Å; N110-Y137 WeakPolarHBondContact CB-OH 3.41Å; P111-Y137 HydrophobicContact CG-CD1 4.17Å; P111-Y137 HydrophobicContact CG-CD2 4.1Å; P111-Y137 HydrophobicContact CG-CG 3.72Å; T133-Y137 WeakPolarHBondContact O-CB 3.45Å; T133-Y137 PolarHBondContact O-N 3.47Å; T133-Y137 VanDerWaalsContact O-N 3.14Å; Y137-D139 PolarHBondContact O-N 2.75Å; Y137-A143 HydrophobicContact CD2-CB 3.73Å; Y137-A143 HydrophobicContact CE2-CB 3.82Å; Y137-A143 HydrophobicContact CG-CB 4.48Å
138	E	89.5	Confident	91.8	Very high	164 Å²	164	60.3 Å²	60.3	77%	0.766	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-66.7	-20.8	172.6	-64.6	-172.3	166.8	0	0	112.4	E136	E136-E138 PolarHBondContact O-N 3.15Å
139	D	91.9	Very high	91.7	Very high	89 Å²	89	62 Å²	62	48%	0.476	31%	0.311	S	S	.	.			trans	-88.4	102.7	172.1	-172.9	-21.8	0	0	0	109.8	E136 Y137 E141 A142 A143	E136-D139 PolarHBondContact O-N 3.47Å; Y137-D139 PolarHBondContact O-N 2.75Å; D139-E141 VanDerWaalsContact C-N 3.3Å; D139-E141 PolarHBondContact O-N 3.44Å; D139-E141 PolarHBondContact OD1-N 2.71Å; D139-E141 VanDerWaalsContact OD1-N 3.13Å; D139-A142 HydrophobicContact CB-CB 3.92Å; D139-A142 PolarHBondContact O-N 3.42Å; D139-A142 PolarHBondContact OD1-N 2.9Å; D139-A143 VanDerWaalsContact O-CB 3.31Å; D139-A143 WeakPolarHBondContact O-CB 3.33Å; D139-A143 PolarHBondContact O-N 3.42Å
140	E	89.3	Confident	91.7	Very high	165 Å²	165	62.1 Å²	62.1	77%	0.771	31%	0.312	S	S	*	.	H	α-helix	trans	-61.2	-35.4	-177.7	-67.4	-177.1	174.8	0	0	112.9	A143 E144	E140-A143 PolarHBondContact O-N 3.37Å; E140-E144 PolarHBondContact O-N 3.12Å; E140-E144 VanDerWaalsContact O-N 3.1Å
141	E	91.3	Very high	91.7	Very high	143 Å²	143	61.8 Å²	61.8	67%	0.668	31%	0.311	S	S	*	.	H	α-helix	trans	-69.4	-49.8	179.9	-174.5	172	-163.7	0	0	109.6	D139 A143 E144 E145	D139-E141 VanDerWaalsContact C-N 3.3Å; D139-E141 PolarHBondContact O-N 3.44Å; D139-E141 PolarHBondContact OD1-N 2.71Å; D139-E141 VanDerWaalsContact OD1-N 3.13Å; E141-A143 VanDerWaalsContact C-N 3.26Å; E141-A143 PolarHBondContact O-N 2.89Å; E141-E144 PolarHBondContact O-N 2.84Å; E141-E145 WeakPolarHBondContact O-CG 3.28Å; E141-E145 PolarHBondContact O-N 3.01Å
142	A	91.3	Very high	91.7	Very high	32 Å²	32	62.7 Å²	62.7	26%	0.264	32%	0.316	S	S	.	.	H	α-helix	trans	-61.2	-35.2	176.1	0	0	0	0	0	112.5	M132 D139 F146	M132-A142 HydrophobicContact CE-CB 4.49Å; D139-A142 HydrophobicContact CB-CB 3.92Å; D139-A142 PolarHBondContact O-N 3.42Å; D139-A142 PolarHBondContact OD1-N 2.9Å; A142-F146 VanDerWaalsContact O-CB 3.22Å; A142-F146 WeakPolarHBondContact O-CB 3.49Å; A142-F146 PolarHBondContact O-N 3.48Å
143	A	92.6	Very high	91.6	Very high	4 Å²	4	62.3 Å²	62.3	3%	0.033	31%	0.314	C	S	.	.	H	α-helix	trans	-65.5	-43.8	177.6	0	0	0	0	0	112.8	M132 Y137 D139 E140 E141 K147	M132-A143 HydrophobicContact SD-CB 4.29Å; Y137-A143 HydrophobicContact CD2-CB 3.73Å; Y137-A143 HydrophobicContact CE2-CB 3.82Å; Y137-A143 HydrophobicContact CG-CB 4.48Å; D139-A143 VanDerWaalsContact O-CB 3.31Å; D139-A143 WeakPolarHBondContact O-CB 3.33Å; D139-A143 PolarHBondContact O-N 3.42Å; E140-A143 PolarHBondContact O-N 3.37Å; E141-A143 VanDerWaalsContact C-N 3.26Å; E141-A143 PolarHBondContact O-N 2.89Å; A143-K147 PolarHBondContact O-N 3.02Å
144	E	92.5	Very high	91.8	Very high	90 Å²	90	60.2 Å²	60.2	42%	0.421	30%	0.301	S	S	.	.	H	α-helix	trans	-69.4	-42	176.1	-73.6	-62.6	140	0	0	111.8	E140 E141 F146 K147 I148	E140-E144 PolarHBondContact O-N 3.12Å; E140-E144 VanDerWaalsContact O-N 3.1Å; E141-E144 PolarHBondContact O-N 2.84Å; E144-F146 VanDerWaalsContact C-N 3.32Å; E144-F146 PolarHBondContact O-N 3.46Å; E144-K147 WeakPolarHBondContact O-CB 3.46Å; E144-K147 PolarHBondContact O-N 3.15Å; E144-K147 IonicContact OE1-NZ 2.75Å; E144-K147 PolarHBondContact OE1-NZ 3.16Å; E144-K147 WeakPolarHBondContact OE2-CE 3.45Å; E144-K147 IonicContact OE2-NZ 3.5Å; E144-K147 PolarHBondContact OE2-NZ 2.9Å; E144-I148 WeakPolarHBondContact O-CG1 3.43Å; E144-I148 PolarHBondContact O-N 3.22Å
145	E	92.8	Very high	92.1	Very high	85 Å²	85	56.2 Å²	56.2	40%	0.397	28%	0.283	S	S	.	.	H	α-helix	trans	-59.5	-43.6	173.8	-69	-168.2	162.5	0	0	111.6	E141 K147 I148 A149 I193	E141-E145 WeakPolarHBondContact O-CG 3.28Å; E141-E145 PolarHBondContact O-N 3.01Å; E145-K147 PolarHBondContact O-N 2.85Å; E145-I148 PolarHBondContact O-N 2.85Å; E145-A149 WeakPolarHBondContact O-CB 3.29Å; E145-A149 PolarHBondContact O-N 2.77Å; E145-I193 HydrophobicContact CB-CD1 4.36Å; E145-I193 HydrophobicContact CB-CG2 4.41Å; E145-I193 VanDerWaalsContact CD-CD1 3.5Å; E145-I193 HydrophobicContact CG-CD1 3.66Å; E145-I193 VanDerWaalsContact OE1-CD1 3.25Å; E145-I193 WeakPolarHBondContact OE1-CD1 3.47Å
146	F	93.4	Very high	92.2	Very high	34 Å²	34	55.3 Å²	55.3	15%	0.149	27%	0.269	C	S	.	.	H	α-helix	trans	-63.8	-39.1	176.7	177.5	-95.8	0	0	0	112.2	Y108 H130 M132 A142 E144 A149 S150 H870	Y108-F146 HydrophobicContact CD2-CE1 4.28Å; Y108-F146 AromaticContact CE2-CD1 3.93Å; Y108-F146 HydrophobicContact CE2-CD1 3.93Å; Y108-F146 HydrophobicContact CE2-CE1 4.01Å; H130-F146 HydrophobicContact CB-CZ 4.47Å; M132-F146 HydrophobicContact CE-CB 4.38Å; M132-F146 HydrophobicContact CG-CB 4.13Å; M132-F146 HydrophobicContact CG-CD1 3.31Å; M132-F146 HydrophobicContact CG-CD2 4.03Å; M132-F146 HydrophobicContact CG-CE1 3.64Å; M132-F146 HydrophobicContact CG-CE2 4.31Å; M132-F146 HydrophobicContact CG-CG 3.53Å; M132-F146 HydrophobicContact CG-CZ 4.13Å; M132-F146 HydrophobicContact SD-CB 3.53Å; M132-F146 VanDerWaalsContact SD-CB 3.53Å; M132-F146 HydrophobicContact SD-CD1 3.77Å; M132-F146 HydrophobicContact SD-CD2 4.46Å; M132-F146 HydrophobicContact SD-CG 3.66Å; A142-F146 VanDerWaalsContact O-CB 3.22Å; A142-F146 WeakPolarHBondContact O-CB 3.49Å; A142-F146 PolarHBondContact O-N 3.48Å; E144-F146 VanDerWaalsContact C-N 3.32Å; E144-F146 PolarHBondContact O-N 3.46Å; F146-A149 PolarHBondContact O-N 3.39Å; F146-S150 VanDerWaalsContact CE1-OG 3.3Å; F146-S150 WeakPolarHBondContact CE1-OG 3.36Å; F146-S150 WeakPolarHBondContact CZ-OG 3.46Å; F146-S150 VanDerWaalsContact O-CB 3.23Å; F146-S150 WeakPolarHBondContact O-CB 3.38Å; F146-S150 PolarHBondContact O-N 3.31Å; F146-S150 PolarHBondContact O-OG 3.49Å; F146-H870 AromaticContact CE2-CD2 3.49Å; F146-H870 VanDerWaalsContact CE2-CD2 3.49Å; F146-H870 WeakPolarHBondContact CE2-CD2 2.95Å; F146-H870 AromaticContact CE2-NE2 3.93Å
147	K	95.1	Very high	92.2	Very high	9 Å²	9	55.9 Å²	55.9	4%	0.039	28%	0.275	C	S	.	.	H	α-helix	trans	-59.6	-46.8	174.9	-175.7	170.8	60.8	-179.2	0	111.4	D57 D95 I97 Y108 A143 E144 E145 S150 F151 I184	D57-K147 IonicContact OD1-NZ 3.73Å; D57-K147 IonicContact OD2-NZ 3.47Å; D57-K147 PolarHBondContact OD2-NZ 3.43Å; D57-K147 VanDerWaalsContact OD2-NZ 3.09Å; D95-K147 IonicContact OD1-NZ 2.95Å; I97-K147 HydrophobicContact CD1-CG 4.4Å; Y108-K147 HydrophobicContact CD1-CD 4.4Å; Y108-K147 HydrophobicContact CD1-CG 4.13Å; Y108-K147 HydrophobicContact CD2-CG 4.45Å; Y108-K147 HydrophobicContact CE1-CB 4.24Å; Y108-K147 HydrophobicContact CE1-CD 3.59Å; Y108-K147 HydrophobicContact CE1-CG 3.57Å; Y108-K147 HydrophobicContact CE2-CB 3.79Å; Y108-K147 HydrophobicContact CE2-CG 3.91Å; Y108-K147 VanDerWaalsContact CZ-CG 3.44Å; Y108-K147 WeakPolarHBondContact OH-CB 3.35Å; A143-K147 PolarHBondContact O-N 3.02Å; E144-K147 WeakPolarHBondContact O-CB 3.46Å; E144-K147 PolarHBondContact O-N 3.15Å; E144-K147 IonicContact OE1-NZ 2.75Å; E144-K147 PolarHBondContact OE1-NZ 3.16Å; E144-K147 WeakPolarHBondContact OE2-CE 3.45Å; E144-K147 IonicContact OE2-NZ 3.5Å; E144-K147 PolarHBondContact OE2-NZ 2.9Å; E145-K147 PolarHBondContact O-N 2.85Å; K147-S150 PolarHBondContact O-N 3.43Å; K147-F151 WeakPolarHBondContact O-CB 3.44Å; K147-F151 PolarHBondContact O-N 2.91Å; K147-I184 HydrophobicContact CD-CD1 4.41Å; K147-I184 HydrophobicContact CG-CD1 4.05Å
148	I	94.8	Very high	92.2	Very high	15 Å²	15	53 Å²	53	8%	0.077	26%	0.264	C	S	.	.	H	α-helix	trans	-64.7	-47.7	179	-62.4	162.2	0	0	0	110.3	E144 E145 S150 F151 V152 I184 A187 L190 I193	E144-I148 WeakPolarHBondContact O-CG1 3.43Å; E144-I148 PolarHBondContact O-N 3.22Å; E145-I148 PolarHBondContact O-N 2.85Å; I148-S150 VanDerWaalsContact C-N 3.32Å; I148-S150 PolarHBondContact O-N 3.49Å; I148-F151 WeakPolarHBondContact O-CB 3.36Å; I148-F151 PolarHBondContact O-N 3.44Å; I148-V152 WeakPolarHBondContact O-CG2 3.24Å; I148-V152 PolarHBondContact O-N 3.27Å; I148-I184 HydrophobicContact CG1-CD1 4.23Å; I148-A187 HydrophobicContact CD1-CB 3.85Å; I148-A187 HydrophobicContact CG1-CB 3.81Å; I148-A187 HydrophobicContact CG2-CB 4.45Å; I148-L190 HydrophobicContact CD1-CD1 4.02Å; I148-I193 HydrophobicContact CB-CG2 4.24Å; I148-I193 HydrophobicContact CG2-CG2 4.1Å
149	A	93.1	Very high	92.3	Very high	45 Å²	45	49 Å²	49	37%	0.372	26%	0.255	S	S	.	.	H	α-helix	trans	-61.1	-40.9	178.1	0	0	0	0	0	112.1	E145 F146 V152 D153	E145-A149 WeakPolarHBondContact O-CB 3.29Å; E145-A149 PolarHBondContact O-N 2.77Å; F146-A149 PolarHBondContact O-N 3.39Å; A149-V152 PolarHBondContact O-N 3.42Å; A149-D153 WeakPolarHBondContact O-CB 3.21Å; A149-D153 PolarHBondContact O-N 3.12Å
150	S	94.3	Very high	92.4	Very high	4 Å²	4	47.6 Å²	47.6	3%	0.028	24%	0.243	C	C	.	.	H	α-helix	trans	-60.8	-47.7	173.8	-61.5	0	0	0	0	110.9	F146 K147 I148 V152 D153 M154	F146-S150 VanDerWaalsContact CE1-OG 3.3Å; F146-S150 WeakPolarHBondContact CE1-OG 3.36Å; F146-S150 WeakPolarHBondContact CZ-OG 3.46Å; F146-S150 VanDerWaalsContact O-CB 3.23Å; F146-S150 WeakPolarHBondContact O-CB 3.38Å; F146-S150 PolarHBondContact O-N 3.31Å; F146-S150 PolarHBondContact O-OG 3.49Å; K147-S150 PolarHBondContact O-N 3.43Å; I148-S150 VanDerWaalsContact C-N 3.32Å; I148-S150 PolarHBondContact O-N 3.49Å; S150-V152 VanDerWaalsContact C-N 3.34Å; S150-V152 PolarHBondContact O-N 3.07Å; S150-D153 PolarHBondContact O-N 3.37Å; S150-M154 WeakPolarHBondContact O-CG 3.46Å; S150-M154 PolarHBondContact O-N 2.93Å
151	F	95.9	Very high	92.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.2	-44.8	177.5	177.8	-118.5	0	0	0	112	L51 I53 I97 K147 I148 D153 M154 V155 I184 V185 F188 F199	L51-F151 HydrophobicContact CD1-CE2 3.95Å; L51-F151 HydrophobicContact CD2-CE2 3.8Å; L51-F151 HydrophobicContact CD2-CZ 4.1Å; I53-F151 HydrophobicContact CD1-CE2 4.42Å; I97-F151 HydrophobicContact CD1-CB 4.48Å; I97-F151 HydrophobicContact CD1-CD2 4.42Å; I97-F151 HydrophobicContact CG2-CD2 4.4Å; K147-F151 WeakPolarHBondContact O-CB 3.44Å; K147-F151 PolarHBondContact O-N 2.91Å; I148-F151 WeakPolarHBondContact O-CB 3.36Å; I148-F151 PolarHBondContact O-N 3.44Å; F151-D153 PolarHBondContact O-N 3.43Å; F151-M154 PolarHBondContact O-N 3.27Å; F151-V155 HydrophobicContact CD2-CG1 4.5Å; F151-V155 HydrophobicContact CE2-CG1 4.02Å; F151-V155 HydrophobicContact CZ-CG1 4.4Å; F151-V155 WeakPolarHBondContact O-CG2 3.2Å; F151-V155 PolarHBondContact O-N 3.5Å; F151-I184 HydrophobicContact CB-CD1 4.32Å; F151-I184 HydrophobicContact CB-CG1 4.22Å; F151-I184 HydrophobicContact CD1-CG1 3.94Å; F151-I184 HydrophobicContact CD2-CG1 4.44Å; F151-I184 HydrophobicContact CE1-CG1 4.45Å; F151-I184 HydrophobicContact CG-CG1 3.94Å; F151-V185 HydrophobicContact CZ-CG2 4.5Å; F151-F188 HydrophobicContact CD1-CB 4.43Å; F151-F188 HydrophobicContact CD1-CD2 4.21Å; F151-F188 HydrophobicContact CE1-CB 4.1Å; F151-F188 HydrophobicContact CE1-CD2 4.04Å; F151-F188 HydrophobicContact CE1-CG 4.44Å; F151-F199 HydrophobicContact CE1-CD2 4.28Å; F151-F199 AromaticContact CE1-CE2 3.98Å; F151-F199 HydrophobicContact CE1-CE2 3.98Å; F151-F199 HydrophobicContact CZ-CD2 4.35Å; F151-F199 AromaticContact CZ-CE2 3.67Å; F151-F199 HydrophobicContact CZ-CE2 3.67Å; F151-F199 AromaticContact CZ-CZ 3.97Å; F151-F199 HydrophobicContact CZ-CZ 3.97Å
152	V	93.8	Very high	92.9	Very high	19 Å²	19	32.9 Å²	32.9	12%	0.115	17%	0.174	C	C	.	.	H	α-helix	trans	-61.1	-43.4	176.1	174.1	0	0	0	0	111.6	I148 A149 S150 R156 F188	I148-V152 WeakPolarHBondContact O-CG2 3.24Å; I148-V152 PolarHBondContact O-N 3.27Å; A149-V152 PolarHBondContact O-N 3.42Å; S150-V152 VanDerWaalsContact C-N 3.34Å; S150-V152 PolarHBondContact O-N 3.07Å; V152-R156 PolarHBondContact O-N 2.96Å; V152-F188 HydrophobicContact CB-CE2 4.45Å; V152-F188 HydrophobicContact CG1-CE2 4.39Å; V152-F188 HydrophobicContact CG2-CD2 3.73Å; V152-F188 HydrophobicContact CG2-CE2 3.95Å
153	D	91.4	Very high	93.2	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-65.5	-40.2	178.9	-169.6	51.5	0	0	0	112.3	H130 A149 S150 F151 V155 R156 Y969 S1002	H130-D153 IonicContact CE1-OD2 2.59Å; H130-D153 PolarHBondContact CE1-OD2 3.12Å; A149-D153 WeakPolarHBondContact O-CB 3.21Å; A149-D153 PolarHBondContact O-N 3.12Å; S150-D153 PolarHBondContact O-N 3.37Å; F151-D153 PolarHBondContact O-N 3.43Å; D153-V155 VanDerWaalsContact C-N 3.35Å; D153-V155 PolarHBondContact O-N 3.45Å; D153-R156 IonicContact OD1-CZ 3.51Å; D153-R156 VanDerWaalsContact OD1-CZ 3.26Å; D153-R156 IonicContact OD1-NH1 3.36Å; D153-R156 PolarHBondContact OD1-NH1 3.48Å; D153-R156 IonicContact OD1-NH2 3.64Å; D153-R156 PolarHBondContact OD1-NH2 3.05Å; D153-Y969 PolarHBondContact OD2-OH 3.15Å; D153-S1002 PolarHBondContact OD1-OG 3.02Å; D153-S1002 PolarHBondContact OD2-OG 3.32Å
154	M	94	Very high	93.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57.4	-45.4	178.5	-70.6	169.4	67.5	0	0	112.1	I97 L99 K101 H106 S150 F151	I97-M154 HydrophobicContact CB-CE 4.33Å; I97-M154 HydrophobicContact CG2-CE 3.86Å; L99-M154 HydrophobicContact CB-CE 3.66Å; L99-M154 VanDerWaalsContact CD2-C 3.44Å; L99-M154 HydrophobicContact CD2-CB 3.92Å; L99-M154 WeakPolarHBondContact CD2-O 3.41Å; K101-M154 PolarHBondContact NZ-O 3.43Å; H106-M154 HydrophobicContact CB-CB 4.35Å; H106-M154 HydrophobicContact CB-CE 3.81Å; H106-M154 HydrophobicContact CB-CG 3.73Å; H106-M154 HydrophobicContact CB-SD 4.38Å; H106-M154 WeakPolarHBondContact O-CE 3.42Å; S150-M154 WeakPolarHBondContact O-CG 3.46Å; S150-M154 PolarHBondContact O-N 2.93Å; F151-M154 PolarHBondContact O-N 3.27Å
155	V	93.8	Very high	93.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-90.1	-9.8	-173.1	-60.6	0	0	0	0	114.8	L99 F151 D153 D157 C158 I161 F188 F199 Y203	L99-V155 HydrophobicContact CD2-CG1 4.37Å; F151-V155 HydrophobicContact CD2-CG1 4.5Å; F151-V155 HydrophobicContact CE2-CG1 4.02Å; F151-V155 HydrophobicContact CZ-CG1 4.4Å; F151-V155 WeakPolarHBondContact O-CG2 3.2Å; F151-V155 PolarHBondContact O-N 3.5Å; D153-V155 VanDerWaalsContact C-N 3.35Å; D153-V155 PolarHBondContact O-N 3.45Å; V155-D157 PolarHBondContact O-N 2.93Å; V155-C158 WeakPolarHBondContact O-CB 3.2Å; V155-C158 PolarHBondContact O-N 3.27Å; V155-I161 HydrophobicContact CB-CD1 4.16Å; V155-I161 HydrophobicContact CG1-CD1 4.01Å; V155-F188 HydrophobicContact CG2-CE2 3.99Å; V155-F199 HydrophobicContact CG1-CE2 4.37Å; V155-F199 HydrophobicContact CG1-CZ 4.48Å; V155-F199 HydrophobicContact CG2-CE2 4.22Å; V155-Y203 HydrophobicContact CB-CE2 4.41Å; V155-Y203 HydrophobicContact CG2-CE2 3.88Å; V155-Y203 WeakPolarHBondContact CG2-OH 3.24Å; V155-Y203 WeakPolarHBondContact O-CE1 3.4Å
156	R	88.3	Confident	93.1	Very high	113 Å²	113	23.6 Å²	23.6	43%	0.426	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-35.3	-167.6	-174.3	-177.3	-68.3	138.8	0.6	114.8	V152 D153	V152-R156 PolarHBondContact O-N 2.96Å; D153-R156 IonicContact OD1-CZ 3.51Å; D153-R156 VanDerWaalsContact OD1-CZ 3.26Å; D153-R156 IonicContact OD1-NH1 3.36Å; D153-R156 PolarHBondContact OD1-NH1 3.48Å; D153-R156 IonicContact OD1-NH2 3.64Å; D153-R156 PolarHBondContact OD1-NH2 3.05Å
157	D	86.5	Confident	92.7	Very high	90 Å²	90	22.7 Å²	22.7	48%	0.481	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	11.7	-176	51	-35.5	0	0	0	113.2	K101 V155	K101-D157 IonicContact NZ-OD1 3.18Å; K101-D157 PolarHBondContact NZ-OD1 3.45Å; K101-D157 IonicContact NZ-OD2 2.63Å; K101-D157 PolarHBondContact NZ-OD2 3.19Å; V155-D157 PolarHBondContact O-N 2.93Å
158	C	91.4	Very high	91.6	Very high	7 Å²	7	24.1 Å²	24.1	5%	0.047	13%	0.129	C	C	.	.			trans	-99.5	150.5	172.4	-58.7	0	0	0	0	110.9	D48 V155 I161 Y203	D48-C158 HydrophobicContact CB-CB 4.25Å; V155-C158 WeakPolarHBondContact O-CB 3.2Å; V155-C158 PolarHBondContact O-N 3.27Å; C158-I161 HydrophobicContact CB-CD1 4.3Å; C158-I161 HydrophobicContact CB-CG1 3.99Å; C158-Y203 VanDerWaalsContact O-CD1 3.26Å; C158-Y203 WeakPolarHBondContact O-CD1 3.45Å; C158-Y203 WeakPolarHBondContact O-CE1 3.4Å
159	S	92.1	Very high	90.2	Very high	80 Å²	80	25 Å²	25	56%	0.559	14%	0.142	S	C	*	.	S	Bend	trans	-115.5	-35.1	166.9	-61.9	0	0	0	0	111.3	D48 Y203 E204	D48-S159 WeakPolarHBondContact OD2-CA 3.35Å; D48-S159 WeakPolarHBondContact OD2-CB 3.39Å; D48-S159 PolarHBondContact OD2-N 3.12Å; S159-Y203 WeakPolarHBondContact O-CA 3.39Å; S159-E204 PolarHBondContact O-N 3.24Å
160	R	93.6	Very high	89.3	Confident	60 Å²	60	27.1 Å²	27.1	23%	0.226	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.2	176.8	-72.1	174.1	-64.5	-173.9	5.3	110.6	K44 R46 D48 E204	K44-R160 PolarHBondContact O-NH1 2.92Å; R46-R160 PolarHBondContact O-NE 2.86Å; R46-R160 PolarHBondContact O-NH2 3.41Å; D48-R160 PolarHBondContact N-O 2.84Å; D48-R160 PolarHBondContact OD2-N 3.15Å; R160-E204 CarbonylContact C-O 3.59Å; R160-E204 VanDerWaalsContact CA-O 3.29Å; R160-E204 WeakPolarHBondContact CA-O 3.15Å; R160-E204 WeakPolarHBondContact CD-OE2 3.4Å; R160-E204 HydrophobicContact CG-CB 3.94Å; R160-E204 HydrophobicContact CG-CG 4.24Å; R160-E204 WeakPolarHBondContact CG-OE2 3.27Å
161	I	95.7	Very high	88.5	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127	-176.6	-60.5	175.1	0	0	0	109.9	L51 V155 C158 I163 F199 Y203 E204 L205 Q206	L51-I161 HydrophobicContact CB-CG2 3.54Å; L51-I161 HydrophobicContact CD2-CG2 4.23Å; V155-I161 HydrophobicContact CB-CD1 4.16Å; V155-I161 HydrophobicContact CG1-CD1 4.01Å; C158-I161 HydrophobicContact CB-CD1 4.3Å; C158-I161 HydrophobicContact CB-CG1 3.99Å; I161-I163 HydrophobicContact CG2-CD1 4.01Å; I161-F199 HydrophobicContact CD1-CE1 4.29Å; I161-F199 HydrophobicContact CD1-CE2 4.36Å; I161-F199 HydrophobicContact CD1-CZ 3.59Å; I161-Y203 HydrophobicContact CD1-CD1 4.05Å; I161-Y203 HydrophobicContact CD1-CD2 4.26Å; I161-Y203 HydrophobicContact CD1-CG 3.81Å; I161-E204 PolarHBondContact N-O 2.99Å; I161-L205 HydrophobicContact CB-CD2 3.9Å; I161-L205 WeakPolarHBondContact O-CA 3.49Å; I161-Q206 PolarHBondContact O-N 3.18Å
162	G	95.4	Very high	87.9	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	129.7	173.2	0	0	0	0	0	111.4	G49 I50 L51 Q206	G49-G162 PolarHBondContact O-N 3.17Å; I50-G162 WeakPolarHBondContact CA-O 3.45Å; L51-G162 PolarHBondContact N-O 3.16Å; G162-Q206 CarbonylContact C-O 3.52Å; G162-Q206 WeakPolarHBondContact CA-O 3.38Å
163	I	96.1	Very high	87.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	124.4	175.9	-55.4	-61.1	0	0	0	109.1	L51 I161 Y165 F174 V179 W182 L205 Q206 V208	L51-I163 HydrophobicContact CB-CD1 4.03Å; L51-I163 HydrophobicContact CD2-CD1 4.14Å; L51-I163 HydrophobicContact CG-CD1 4.42Å; I161-I163 HydrophobicContact CG2-CD1 4.01Å; I163-Y165 PolarHBondContact O-N 3Å; I163-F174 HydrophobicContact CB-CE2 4.33Å; I163-V179 HydrophobicContact CG2-CG2 4.46Å; I163-W182 HydrophobicContact CG2-CH2 3.76Å; I163-W182 HydrophobicContact CG2-CZ3 4.3Å; I163-L205 HydrophobicContact CG1-CD1 4.46Å; I163-Q206 PolarHBondContact N-O 3.44Å; I163-V208 WeakPolarHBondContact O-CG2 3.29Å; I163-V208 PolarHBondContact O-N 3.37Å
164	P	94.3	Very high	87.5	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.013	24%	0.237	C	C	.	.			trans	-74.7	76	168.6	33.5	-33.9	0	0	0	108.6	L51 N61 G63 C64 L67 L212	L51-P164 WeakPolarHBondContact O-CD 3.14Å; N61-P164 PolarHBondContact OD1-O 3.03Å; G63-P164 CarbonylContact C-O 3.59Å; G63-P164 VanDerWaalsContact C-O 3.28Å; G63-P164 WeakPolarHBondContact CA-O 2.99Å; C64-P164 HydrophobicContact CB-CG 4.41Å; C64-P164 PolarHBondContact N-O 3.1Å; L67-P164 HydrophobicContact CD2-CB 4.42Å; L67-P164 HydrophobicContact CD2-CG 4.12Å; P164-L212 HydrophobicContact CB-CD1 3.6Å
165	Y	92.5	Very high	87.3	Confident	12 Å²	12	49.2 Å²	49.2	5%	0.047	25%	0.253	C	S	.	.			trans	-73.8	-36.5	-168	-175.2	-107.4	0	0	0	113.7	N61 I163 Q172 I173 F174 V178 V179 S209	N61-Y165 PolarHBondContact ND2-O 2.86Å; I163-Y165 PolarHBondContact O-N 3Å; Y165-Q172 HydrophobicContact CD1-CB 4.01Å; Y165-Q172 HydrophobicContact CE1-CB 3.55Å; Y165-I173 VanDerWaalsContact CE1-O 3.3Å; Y165-I173 WeakPolarHBondContact CE1-O 3.47Å; Y165-F174 HydrophobicContact CD1-CB 4.45Å; Y165-F174 AromaticContact CD1-CD2 3.98Å; Y165-F174 HydrophobicContact CD1-CD2 3.98Å; Y165-F174 HydrophobicContact CD2-CD2 4Å; Y165-F174 HydrophobicContact CD2-CE2 4.24Å; Y165-F174 AromaticContact CG-CD2 3.67Å; Y165-F174 HydrophobicContact CG-CD2 3.67Å; Y165-F174 HydrophobicContact CG-CE2 4.23Å; Y165-V178 HydrophobicContact CE2-CG1 4.38Å; Y165-V179 HydrophobicContact CD2-CG2 4.15Å; Y165-V179 HydrophobicContact CE2-CG2 4.21Å; Y165-S209 PolarHBondContact N-OG 2.91Å
166	S	89.5	Confident	87.2	Confident	2 Å²	2	52 Å²	52	1%	0.014	27%	0.267	C	S	.	.	S	Bend	trans	-114.9	143.9	-174	-60.8	0	0	0	0	111.4	H170 Q172 S209 W213	S166-H170 WeakPolarHBondContact CB-O 3.22Å; S166-Q172 PolarHBondContact OG-N 2.99Å; S166-S209 PolarHBondContact N-OG 3.39Å; S166-S209 WeakPolarHBondContact O-CB 3.36Å; S166-S209 PolarHBondContact O-OG 2.91Å; S166-W213 PolarHBondContact O-NE1 2.75Å
167	S	84.7	Confident	87.3	Confident	15 Å²	15	53.1 Å²	53.1	11%	0.105	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-89.6	154	170.4	57.6	0	0	0	0	112.2	E66 G169 H170 W213	E66-S167 VanDerWaalsContact OE2-CA 3.26Å; E66-S167 WeakPolarHBondContact OE2-CA 3.35Å; S167-G169 PolarHBondContact O-N 2.65Å; S167-G169 VanDerWaalsContact O-N 3.16Å; S167-H170 CarbonylContact O-C 3.5Å; S167-H170 PolarHBondContact O-N 3.19Å; S167-W213 VanDerWaalsContact C-CZ2 3.4Å; S167-W213 WeakPolarHBondContact O-CZ2 3.42Å
168	Q	73	Confident	87.5	Confident	38 Å²	38	51.2 Å²	51.2	18%	0.178	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	120.2	-175.9	-153.4	-179.9	12.6	0	0	111.2	E66 W213 Q435	E66-Q168 WeakPolarHBondContact OE1-CB 3.46Å; E66-Q168 PolarHBondContact OE2-N 3.22Å; Q168-W213 HydrophobicContact CB-CD2 4.22Å; Q168-W213 HydrophobicContact CB-CG 4.12Å; Q168-W213 HydrophobicContact CG-CB 4.14Å; Q168-W213 HydrophobicContact CG-CD2 3.89Å; Q168-W213 HydrophobicContact CG-CE3 4.38Å; Q168-W213 HydrophobicContact CG-CG 3.74Å; Q168-Q435 VanDerWaalsContact NE2-NE2 3.19Å
169	G	65.4	Low	87.6	Confident	33 Å²	33	50.9 Å²	50.9	34%	0.34	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.2	-10.2	-175.7	0	0	0	0	0	115.1	S167 H277	S167-G169 PolarHBondContact O-N 2.65Å; S167-G169 VanDerWaalsContact O-N 3.16Å; G169-H277 WeakPolarHBondContact O-CB 3.5Å
170	H	74.3	Confident	87.7	Confident	91 Å²	91	48 Å²	48	42%	0.421	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-126.1	74.1	175.4	-67	-82.2	0	0	0	110.8	S166 S167 Q172 H277	S166-H170 WeakPolarHBondContact CB-O 3.22Å; S167-H170 CarbonylContact O-C 3.5Å; S167-H170 PolarHBondContact O-N 3.19Å; H170-Q172 PolarHBondContact O-N 2.84Å; H170-H277 AromaticContact CE1-CD2 3.09Å; H170-H277 PolarHBondContact CE1-CD2 3.24Å; H170-H277 AromaticContact CE1-CE1 3.64Å; H170-H277 AromaticContact CE1-CG 3.77Å; H170-H277 AromaticContact CE1-NE2 3.03Å; H170-H277 PolarHBondContact CE1-NE2 3.44Å; H170-H277 AromaticContact ND1-CD2 3.99Å; H170-H277 AromaticContact NE2-CD2 3.09Å; H170-H277 PolarHBondContact NE2-CD2 2.93Å; H170-H277 AromaticContact NE2-NE2 3.29Å; H170-H277 PolarHBondContact NE2-NE2 2.85Å
171	L	77.9	Confident	87.8	Confident	119 Å²	119	50.3 Å²	50.3	62%	0.623	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-70.1	116	176.8	-171.5	70.9	0	0	0	110.2	L210 W213	L171-L210 HydrophobicContact CD1-CD2 4.44Å; L171-W213 HydrophobicContact CB-CH2 4.31Å; L171-W213 HydrophobicContact CD1-CH2 3.73Å; L171-W213 HydrophobicContact CD1-CZ3 4.19Å
172	Q	82	Confident	87.8	Confident	89 Å²	89	50.5 Å²	50.5	42%	0.416	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-99.1	148.8	173	-58.7	-177.1	23.5	0	0	109.6	Y165 S166 H170 F174	Y165-Q172 HydrophobicContact CD1-CB 4.01Å; Y165-Q172 HydrophobicContact CE1-CB 3.55Å; S166-Q172 PolarHBondContact OG-N 2.99Å; H170-Q172 PolarHBondContact O-N 2.84Å; Q172-F174 PolarHBondContact O-N 3.03Å
173	I	85.6	Confident	87.8	Confident	158 Å²	158	52.8 Å²	52.8	81%	0.81	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-69.3	121	170.9	-61.3	173.4	0	0	0	107.1	Y165 D175	Y165-I173 VanDerWaalsContact CE1-O 3.3Å; Y165-I173 WeakPolarHBondContact CE1-O 3.47Å; I173-D175 PolarHBondContact O-N 3.49Å
174	F	91.3	Very high	87.8	Confident	61 Å²	61	52.9 Å²	52.9	27%	0.268	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-62	120.5	179.1	-176.9	-111.7	0	0	0	110.8	I163 Y165 Q172 M176 V179 L205 D207	I163-F174 HydrophobicContact CB-CE2 4.33Å; Y165-F174 HydrophobicContact CD1-CB 4.45Å; Y165-F174 AromaticContact CD1-CD2 3.98Å; Y165-F174 HydrophobicContact CD1-CD2 3.98Å; Y165-F174 HydrophobicContact CD2-CD2 4Å; Y165-F174 HydrophobicContact CD2-CE2 4.24Å; Y165-F174 AromaticContact CG-CD2 3.67Å; Y165-F174 HydrophobicContact CG-CD2 3.67Å; Y165-F174 HydrophobicContact CG-CE2 4.23Å; Q172-F174 PolarHBondContact O-N 3.03Å; F174-M176 HydrophobicContact CE1-CB 4.42Å; F174-V179 HydrophobicContact CE2-CG2 4.45Å; F174-L205 HydrophobicContact CZ-CB 3.96Å; F174-D207 HydrophobicContact CB-CB 4.05Å; F174-D207 HydrophobicContact CD1-CB 4.43Å; F174-D207 HydrophobicContact CD2-CB 3.69Å; F174-D207 HydrophobicContact CE2-CB 4.22Å; F174-D207 HydrophobicContact CG-CB 3.8Å
175	D	90.8	Very high	87.8	Confident	64 Å²	64	52.8 Å²	52.8	34%	0.342	27%	0.269	S	S	.	.			trans	-128	108	175.7	-176	-5.3	0	0	0	109.6	I173 F177 V178 V179	I173-D175 PolarHBondContact O-N 3.49Å; D175-F177 PolarHBondContact O-N 2.93Å; D175-F177 WeakPolarHBondContact OD1-CB 3.5Å; D175-F177 WeakPolarHBondContact OD1-CD2 3.33Å; D175-F177 PolarHBondContact OD1-N 3.38Å; D175-V178 HydrophobicContact CB-CB 4.33Å; D175-V178 HydrophobicContact CB-CG2 3.81Å; D175-V178 WeakPolarHBondContact O-CB 3.29Å; D175-V178 PolarHBondContact O-N 2.74Å; D175-V179 PolarHBondContact O-N 3.5Å
176	M	90.2	Very high	87.9	Confident	58 Å²	58	57.1 Å²	57.1	29%	0.286	29%	0.29	S	S	.	.	H	α-helix	trans	-59.7	-29.7	179.2	-177.5	166.8	75.5	0	0	112.5	F174 V178 V179 E180 T200 L205	F174-M176 HydrophobicContact CE1-CB 4.42Å; M176-V178 VanDerWaalsContact C-N 3.29Å; M176-V178 PolarHBondContact O-N 3.34Å; M176-V179 PolarHBondContact O-N 2.92Å; M176-E180 PolarHBondContact O-N 2.98Å; M176-T200 HydrophobicContact CE-CG2 4.28Å; M176-T200 HydrophobicContact CG-CG2 3.22Å; M176-T200 HydrophobicContact SD-CG2 3.66Å; M176-L205 HydrophobicContact CG-CB 4.17Å; M176-L205 HydrophobicContact CG-CD1 3.98Å; M176-L205 HydrophobicContact CG-CG 4.16Å; M176-L205 HydrophobicContact SD-CB 3.99Å; M176-L205 HydrophobicContact SD-CG 4.06Å
177	F	90.5	Very high	88.1	Confident	136 Å²	136	57.8 Å²	57.8	60%	0.596	30%	0.296	S	S	*	.	H	α-helix	trans	-75.8	-17.3	177.7	-58.9	-72	0	0	0	113.1	D175 K181	D175-F177 PolarHBondContact O-N 2.93Å; D175-F177 WeakPolarHBondContact OD1-CB 3.5Å; D175-F177 WeakPolarHBondContact OD1-CD2 3.33Å; D175-F177 PolarHBondContact OD1-N 3.38Å; F177-K181 WeakPolarHBondContact O-CG 3.31Å
178	V	92.1	Very high	88.5	Confident	50 Å²	50	57.1 Å²	57.1	30%	0.303	29%	0.291	S	S	.	.	H	α-helix	trans	-73	-40.6	168.7	174.6	0	0	0	0	109.8	Y165 D175 M176 K181	Y165-V178 HydrophobicContact CE2-CG1 4.38Å; D175-V178 HydrophobicContact CB-CB 4.33Å; D175-V178 HydrophobicContact CB-CG2 3.81Å; D175-V178 WeakPolarHBondContact O-CB 3.29Å; D175-V178 PolarHBondContact O-N 2.74Å; M176-V178 VanDerWaalsContact C-N 3.29Å; M176-V178 PolarHBondContact O-N 3.34Å; V178-K181 WeakPolarHBondContact O-CB 3.32Å; V178-K181 PolarHBondContact O-N 3.13Å; V178-K181 VanDerWaalsContact O-N 3.12Å
179	V	92.9	Very high	89.3	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.006	30%	0.295	C	S	.	.	H	α-helix	trans	-65	-39.9	175.5	-175.7	0	0	0	0	111.1	I163 Y165 F174 D175 M176 K181 W182 V185 L205	I163-V179 HydrophobicContact CG2-CG2 4.46Å; Y165-V179 HydrophobicContact CD2-CG2 4.15Å; Y165-V179 HydrophobicContact CE2-CG2 4.21Å; F174-V179 HydrophobicContact CE2-CG2 4.45Å; D175-V179 PolarHBondContact O-N 3.5Å; M176-V179 PolarHBondContact O-N 2.92Å; V179-K181 PolarHBondContact O-N 3.47Å; V179-W182 HydrophobicContact CG1-CD2 4.1Å; V179-W182 HydrophobicContact CG1-CE3 3.9Å; V179-W182 HydrophobicContact CG1-CZ3 4.11Å; V179-W182 HydrophobicContact CG2-CZ2 4.32Å; V179-W182 VanDerWaalsContact O-CB 3.23Å; V179-W182 WeakPolarHBondContact O-CB 3.4Å; V179-W182 PolarHBondContact O-N 3.3Å; V179-V185 HydrophobicContact CG1-CG2 4.44Å; V179-L205 HydrophobicContact CB-CD1 4.04Å; V179-L205 HydrophobicContact CG1-CD1 3.72Å
180	E	94.5	Very high	90.4	Very high	20 Å²	20	59.5 Å²	59.5	9%	0.093	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-18.8	174.2	-166.1	69.2	-148	0	0	113.1	M176 Q186 F198 F199 T200	M176-E180 PolarHBondContact O-N 2.98Å; E180-Q186 WeakPolarHBondContact O-CG 3.3Å; E180-F198 HydrophobicContact CG-CD1 4.35Å; E180-F198 WeakPolarHBondContact OE1-CB 3.26Å; E180-F198 WeakPolarHBondContact OE1-CD1 3.41Å; E180-F199 PolarHBondContact OE1-N 3.11Å; E180-F199 PolarHBondContact OE2-N 3.11Å; E180-T200 HydrophobicContact CB-CG2 4.35Å; E180-T200 WeakPolarHBondContact OE2-CB 3.29Å; E180-T200 WeakPolarHBondContact OE2-CG2 3.36Å; E180-T200 PolarHBondContact OE2-N 3.25Å; E180-T200 PolarHBondContact OE2-OG1 2.68Å
181	K	94.6	Very high	90.7	Very high	107 Å²	107	63.8 Å²	63.8	47%	0.465	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-0.1	177	-68.6	170.7	-174.1	172.8	0	113.5	R59 F177 V178 V179	R59-K181 VanDerWaalsContact CZ-O 3.3Å; R59-K181 PolarHBondContact NE-O 3.25Å; R59-K181 PolarHBondContact NH2-O 3.41Å; F177-K181 WeakPolarHBondContact O-CG 3.31Å; V178-K181 WeakPolarHBondContact O-CB 3.32Å; V178-K181 PolarHBondContact O-N 3.13Å; V178-K181 VanDerWaalsContact O-N 3.12Å; V179-K181 PolarHBondContact O-N 3.47Å
182	W	96	Very high	90.8	Very high	5 Å²	5	61.7 Å²	61.7	2%	0.019	33%	0.328	C	S	.	.	S	Bend	trans	-68.7	132.4	174.9	-72.5	3.1	0	0	0	110	I53 D57 S58 N61 I163 V179 I184 V185 Q186	I53-W182 HydrophobicContact CD1-CE3 3.92Å; I53-W182 HydrophobicContact CD1-CZ3 4.08Å; D57-W182 WeakPolarHBondContact O-CB 3.23Å; S58-W182 PolarHBondContact O-NE1 3.36Å; N61-W182 HydrophobicContact CB-CH2 4.13Å; N61-W182 HydrophobicContact CB-CZ2 3.84Å; I163-W182 HydrophobicContact CG2-CH2 3.76Å; I163-W182 HydrophobicContact CG2-CZ3 4.3Å; V179-W182 HydrophobicContact CG1-CD2 4.1Å; V179-W182 HydrophobicContact CG1-CE3 3.9Å; V179-W182 HydrophobicContact CG1-CZ3 4.11Å; V179-W182 HydrophobicContact CG2-CZ2 4.32Å; V179-W182 VanDerWaalsContact O-CB 3.23Å; V179-W182 WeakPolarHBondContact O-CB 3.4Å; V179-W182 PolarHBondContact O-N 3.3Å; W182-I184 PolarHBondContact O-N 2.48Å; W182-V185 HydrophobicContact CB-CB 4.05Å; W182-V185 HydrophobicContact CB-CG2 3.83Å; W182-V185 HydrophobicContact CE3-CG2 4.24Å; W182-V185 CarbonylContact O-C 3.55Å; W182-V185 WeakPolarHBondContact O-CA 3.21Å; W182-V185 WeakPolarHBondContact O-CB 3.42Å; W182-V185 PolarHBondContact O-N 3.15Å; W182-Q186 WeakPolarHBondContact O-CG 3.39Å; W182-Q186 PolarHBondContact O-N 2.59Å
183	P	95.8	Very high	90.7	Very high	47 Å²	47	60.3 Å²	60.3	31%	0.305	32%	0.323	S	S	.	.	H	α-helix	trans	-49.4	-49.4	-174	-31.7	35.7	0	0	0	114.9	D57 V185 Q186 A187	D57-P183 WeakPolarHBondContact O-CD 3.38Å; P183-V185 VanDerWaalsContact C-N 3.32Å; P183-V185 PolarHBondContact O-N 3.05Å; P183-Q186 PolarHBondContact O-N 3.46Å; P183-A187 PolarHBondContact O-N 3.32Å
184	I	95.5	Very high	90.4	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-67	-32.8	179.5	-167.6	63.2	0	0	0	112.9	I53 D57 I97 K147 I148 F151 W182 A187 F188	I53-I184 HydrophobicContact CD1-CG2 3.64Å; I53-I184 HydrophobicContact CG1-CG2 4.31Å; I53-I184 HydrophobicContact CG2-CG2 3.97Å; D57-I184 HydrophobicContact CB-CB 4.02Å; D57-I184 HydrophobicContact CB-CG2 4.02Å; I97-I184 HydrophobicContact CD1-CD1 4.41Å; I97-I184 HydrophobicContact CD1-CG1 3.95Å; K147-I184 HydrophobicContact CD-CD1 4.41Å; K147-I184 HydrophobicContact CG-CD1 4.05Å; I148-I184 HydrophobicContact CG1-CD1 4.23Å; F151-I184 HydrophobicContact CB-CD1 4.32Å; F151-I184 HydrophobicContact CB-CG1 4.22Å; F151-I184 HydrophobicContact CD1-CG1 3.94Å; F151-I184 HydrophobicContact CD2-CG1 4.44Å; F151-I184 HydrophobicContact CE1-CG1 4.45Å; F151-I184 HydrophobicContact CG-CG1 3.94Å; W182-I184 PolarHBondContact O-N 2.48Å; I184-A187 PolarHBondContact O-N 3.14Å; I184-F188 PolarHBondContact O-N 3.28Å
185	V	95.1	Very high	89.8	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.006	28%	0.284	C	S	.	.	H	α-helix	trans	-71.2	-36.1	176.3	-178.9	0	0	0	0	110.5	I53 F151 V179 W182 P183 F188 F199	I53-V185 HydrophobicContact CD1-CG2 4.39Å; F151-V185 HydrophobicContact CZ-CG2 4.5Å; V179-V185 HydrophobicContact CG1-CG2 4.44Å; W182-V185 HydrophobicContact CB-CB 4.05Å; W182-V185 HydrophobicContact CB-CG2 3.83Å; W182-V185 HydrophobicContact CE3-CG2 4.24Å; W182-V185 CarbonylContact O-C 3.55Å; W182-V185 WeakPolarHBondContact O-CA 3.21Å; W182-V185 WeakPolarHBondContact O-CB 3.42Å; W182-V185 PolarHBondContact O-N 3.15Å; P183-V185 VanDerWaalsContact C-N 3.32Å; P183-V185 PolarHBondContact O-N 3.05Å; V185-F188 VanDerWaalsContact O-CB 3.23Å; V185-F188 WeakPolarHBondContact O-CB 3.43Å; V185-F188 PolarHBondContact O-N 2.77Å; V185-F199 HydrophobicContact CG1-CB 3.48Å; V185-F199 VanDerWaalsContact CG1-CB 3.48Å; V185-F199 HydrophobicContact CG1-CD1 3.71Å; V185-F199 HydrophobicContact CG1-CG 3.68Å
186	Q	93.9	Very high	89.2	Confident	103 Å²	103	52.4 Å²	52.4	48%	0.481	29%	0.291	S	S	.	.	H	α-helix	trans	-67.1	-38.7	172	-68.1	-169	-55.2	0	0	111.7	E180 W182 P183 F188 A189	E180-Q186 WeakPolarHBondContact O-CG 3.3Å; W182-Q186 WeakPolarHBondContact O-CG 3.39Å; W182-Q186 PolarHBondContact O-N 2.59Å; P183-Q186 PolarHBondContact O-N 3.46Å; Q186-F188 PolarHBondContact O-N 3.34Å; Q186-A189 PolarHBondContact O-N 3.5Å; Q186-A189 VanDerWaalsContact O-N 3.08Å
187	A	93.6	Very high	89.1	Confident	16 Å²	16	51.4 Å²	51.4	13%	0.132	30%	0.295	C	S	.	.	H	α-helix	trans	-63.7	-25.2	177.2	0	0	0	0	0	112.7	I148 P183 I184 A189 L190	I148-A187 HydrophobicContact CD1-CB 3.85Å; I148-A187 HydrophobicContact CG1-CB 3.81Å; I148-A187 HydrophobicContact CG2-CB 4.45Å; P183-A187 PolarHBondContact O-N 3.32Å; I184-A187 PolarHBondContact O-N 3.14Å; A187-A189 PolarHBondContact O-N 3.04Å; A187-L190 HydrophobicContact CB-CD1 4.09Å; A187-L190 WeakPolarHBondContact O-CB 3.17Å; A187-L190 VanDerWaalsContact O-CG 3.3Å; A187-L190 WeakPolarHBondContact O-CG 3.39Å; A187-L190 PolarHBondContact O-N 3.33Å; A187-L190 VanDerWaalsContact O-N 3.11Å
188	F	93.4	Very high	89	Confident	1 Å²	1	50.7 Å²	50.7	0%	0.004	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-29.4	171.9	-176.7	-90	0	0	0	113	F151 V152 V155 I184 V185 Q186 L190 G194 G195 G197 F199 K202 Y203	F151-F188 HydrophobicContact CD1-CB 4.43Å; F151-F188 HydrophobicContact CD1-CD2 4.21Å; F151-F188 HydrophobicContact CE1-CB 4.1Å; F151-F188 HydrophobicContact CE1-CD2 4.04Å; F151-F188 HydrophobicContact CE1-CG 4.44Å; V152-F188 HydrophobicContact CB-CE2 4.45Å; V152-F188 HydrophobicContact CG1-CE2 4.39Å; V152-F188 HydrophobicContact CG2-CD2 3.73Å; V152-F188 HydrophobicContact CG2-CE2 3.95Å; V155-F188 HydrophobicContact CG2-CE2 3.99Å; I184-F188 PolarHBondContact O-N 3.28Å; V185-F188 VanDerWaalsContact O-CB 3.23Å; V185-F188 WeakPolarHBondContact O-CB 3.43Å; V185-F188 PolarHBondContact O-N 2.77Å; Q186-F188 PolarHBondContact O-N 3.34Å; F188-L190 VanDerWaalsContact C-N 3.3Å; F188-L190 PolarHBondContact O-N 3.48Å; F188-G194 CarbonylContact O-C 3.57Å; F188-G194 WeakPolarHBondContact O-CA 3.41Å; F188-G195 PolarHBondContact O-N 3.24Å; F188-G197 WeakPolarHBondContact CD1-O 3.35Å; F188-F199 HydrophobicContact CB-CD2 4.34Å; F188-F199 HydrophobicContact CD1-CB 4.07Å; F188-F199 AromaticContact CD1-CD2 3.91Å; F188-F199 HydrophobicContact CD1-CD2 3.91Å; F188-F199 AromaticContact CD2-CD2 3.93Å; F188-F199 HydrophobicContact CD2-CD2 3.93Å; F188-F199 HydrophobicContact CD2-CE2 4.37Å; F188-F199 HydrophobicContact CE1-CD2 4.18Å; F188-F199 HydrophobicContact CE2-CD2 4.19Å; F188-F199 HydrophobicContact CG-CB 4.47Å; F188-F199 AromaticContact CG-CD2 3.79Å; F188-F199 HydrophobicContact CG-CD2 3.79Å; F188-F199 HydrophobicContact CZ-CD2 4.31Å; F188-K202 HydrophobicContact CE1-CD 4.06Å; F188-K202 HydrophobicContact CZ-CD 4.18Å; F188-Y203 HydrophobicContact CE1-CE2 4.25Å; F188-Y203 AromaticContact CE2-CE2 3.95Å; F188-Y203 HydrophobicContact CE2-CE2 3.95Å; F188-Y203 AromaticContact CZ-CE2 3.57Å; F188-Y203 HydrophobicContact CZ-CE2 3.57Å
189	A	90.1	Very high	89.1	Confident	33 Å²	33	48.3 Å²	48.3	27%	0.273	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-3.9	-178.9	0	0	0	0	0	114.1	Q186 A187 E191 G197	Q186-A189 PolarHBondContact O-N 3.5Å; Q186-A189 VanDerWaalsContact O-N 3.08Å; A187-A189 PolarHBondContact O-N 3.04Å; A189-E191 PolarHBondContact O-N 3.26Å; A189-G197 WeakPolarHBondContact CA-O 3.37Å; A189-G197 WeakPolarHBondContact CB-O 3.29Å
190	L	88.4	Confident	89	Confident	88 Å²	88	49.6 Å²	49.6	46%	0.461	29%	0.286	S	S	.	.			trans	-65	129.6	-179.7	-68.1	171	0	0	0	111.3	I148 A187 F188 G194	I148-L190 HydrophobicContact CD1-CD1 4.02Å; A187-L190 HydrophobicContact CB-CD1 4.09Å; A187-L190 WeakPolarHBondContact O-CB 3.17Å; A187-L190 VanDerWaalsContact O-CG 3.3Å; A187-L190 WeakPolarHBondContact O-CG 3.39Å; A187-L190 PolarHBondContact O-N 3.33Å; A187-L190 VanDerWaalsContact O-N 3.11Å; F188-L190 VanDerWaalsContact C-N 3.3Å; F188-L190 PolarHBondContact O-N 3.48Å; L190-G194 WeakPolarHBondContact O-CA 3.49Å; L190-G194 PolarHBondContact O-N 3.42Å
191	E	81.3	Confident	88.9	Confident	181 Å²	181	56 Å²	56	85%	0.846	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	133.4	178.2	-67.5	-176.3	175.8	0	0	111.1	A189 I193	A189-E191 PolarHBondContact O-N 3.26Å; E191-I193 PolarHBondContact O-N 2.9Å
192	G	78.3	Confident	88.7	Confident	75 Å²	75	56 Å²	56	77%	0.773	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.5	-36.2	173.6	0	0	0	0	0	115.6
193	I	79.9	Confident	88.6	Confident	60 Å²	60	56.7 Å²	56.7	31%	0.308	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-36	179.3	-52.4	177.5	0	0	0	111.1	E145 I148 E191	E145-I193 HydrophobicContact CB-CD1 4.36Å; E145-I193 HydrophobicContact CB-CG2 4.41Å; E145-I193 VanDerWaalsContact CD-CD1 3.5Å; E145-I193 HydrophobicContact CG-CD1 3.66Å; E145-I193 VanDerWaalsContact OE1-CD1 3.25Å; E145-I193 WeakPolarHBondContact OE1-CD1 3.47Å; I148-I193 HydrophobicContact CB-CG2 4.24Å; I148-I193 HydrophobicContact CG2-CG2 4.1Å; E191-I193 PolarHBondContact O-N 2.9Å
194	G	80.1	Confident	88.5	Confident	12 Å²	12	60.4 Å²	60.4	12%	0.124	33%	0.333	C	S	.	.	S	Bend	trans	-77.1	-173.6	178.4	0	0	0	0	0	113.1	F188 L190 D196	F188-G194 CarbonylContact O-C 3.57Å; F188-G194 WeakPolarHBondContact O-CA 3.41Å; L190-G194 WeakPolarHBondContact O-CA 3.49Å; L190-G194 PolarHBondContact O-N 3.42Å; G194-D196 VanDerWaalsContact C-N 3.27Å; G194-D196 PolarHBondContact O-N 2.88Å
195	G	79.6	Confident	88.5	Confident	13 Å²	13	60.9 Å²	60.9	13%	0.134	34%	0.336	C	S	.	.			trans	-81.5	2.6	177.5	0	0	0	0	0	114.4	F188 K202	F188-G195 PolarHBondContact O-N 3.24Å; G195-K202 PolarHBondContact O-NZ 3.2Å
196	D	77.6	Confident	88.4	Confident	92 Å²	92	62.8 Å²	62.8	49%	0.492	35%	0.345	S	S	.	.	S	Bend	trans	60.3	100.2	-175.1	-63.4	-30.5	0	0	0	114.9	G194 K202	G194-D196 VanDerWaalsContact C-N 3.27Å; G194-D196 PolarHBondContact O-N 2.88Å; D196-K202 WeakPolarHBondContact O-CE 3.33Å; D196-K202 PolarHBondContact O-NZ 2.88Å
197	G	86.9	Confident	88.3	Confident	36 Å²	36	60 Å²	60	37%	0.371	33%	0.333	S	S	.	.	S	Bend	trans	103.8	169.6	179.1	0	0	0	0	0	114.2	F188 A189	F188-G197 WeakPolarHBondContact CD1-O 3.35Å; A189-G197 WeakPolarHBondContact CA-O 3.37Å; A189-G197 WeakPolarHBondContact CB-O 3.29Å
198	F	89.9	Confident	88.3	Confident	122 Å²	122	59.2 Å²	59.2	54%	0.535	33%	0.327	S	S	.	.			trans	-63.1	140.7	-178.6	-66.8	-78.6	0	0	0	112	E180 T200 M201	E180-F198 HydrophobicContact CG-CD1 4.35Å; E180-F198 WeakPolarHBondContact OE1-CB 3.26Å; E180-F198 WeakPolarHBondContact OE1-CD1 3.41Å; F198-T200 PolarHBondContact O-N 3.4Å; F198-M201 HydrophobicContact CB-CB 4.31Å; F198-M201 HydrophobicContact CB-CG 3.95Å; F198-M201 HydrophobicContact CB-SD 4.13Å; F198-M201 HydrophobicContact CD2-SD 3.86Å; F198-M201 HydrophobicContact CG-SD 4.46Å; F198-M201 WeakPolarHBondContact O-CB 3.44Å; F198-M201 PolarHBondContact O-N 3.29Å
199	F	93.4	Very high	88.2	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-63.6	-45.1	-174.3	-176	-105.2	0	0	0	111.5	L51 F151 V155 I161 E180 V185 F188 M201 K202 Y203 L205	L51-F199 HydrophobicContact CD2-CZ 4.26Å; F151-F199 HydrophobicContact CE1-CD2 4.28Å; F151-F199 AromaticContact CE1-CE2 3.98Å; F151-F199 HydrophobicContact CE1-CE2 3.98Å; F151-F199 HydrophobicContact CZ-CD2 4.35Å; F151-F199 AromaticContact CZ-CE2 3.67Å; F151-F199 HydrophobicContact CZ-CE2 3.67Å; F151-F199 AromaticContact CZ-CZ 3.97Å; F151-F199 HydrophobicContact CZ-CZ 3.97Å; V155-F199 HydrophobicContact CG1-CE2 4.37Å; V155-F199 HydrophobicContact CG1-CZ 4.48Å; V155-F199 HydrophobicContact CG2-CE2 4.22Å; I161-F199 HydrophobicContact CD1-CE1 4.29Å; I161-F199 HydrophobicContact CD1-CE2 4.36Å; I161-F199 HydrophobicContact CD1-CZ 3.59Å; E180-F199 PolarHBondContact OE1-N 3.11Å; E180-F199 PolarHBondContact OE2-N 3.11Å; V185-F199 HydrophobicContact CG1-CB 3.48Å; V185-F199 VanDerWaalsContact CG1-CB 3.48Å; V185-F199 HydrophobicContact CG1-CD1 3.71Å; V185-F199 HydrophobicContact CG1-CG 3.68Å; F188-F199 HydrophobicContact CB-CD2 4.34Å; F188-F199 HydrophobicContact CD1-CB 4.07Å; F188-F199 AromaticContact CD1-CD2 3.91Å; F188-F199 HydrophobicContact CD1-CD2 3.91Å; F188-F199 AromaticContact CD2-CD2 3.93Å; F188-F199 HydrophobicContact CD2-CD2 3.93Å; F188-F199 HydrophobicContact CD2-CE2 4.37Å; F188-F199 HydrophobicContact CE1-CD2 4.18Å; F188-F199 HydrophobicContact CE2-CD2 4.19Å; F188-F199 HydrophobicContact CG-CB 4.47Å; F188-F199 AromaticContact CG-CD2 3.79Å; F188-F199 HydrophobicContact CG-CD2 3.79Å; F188-F199 HydrophobicContact CZ-CD2 4.31Å; F199-M201 PolarHBondContact O-N 3.24Å; F199-K202 PolarHBondContact O-N 3.35Å; F199-Y203 HydrophobicContact CD1-CD2 4.44Å; F199-Y203 AromaticContact CD2-CD2 3.55Å; F199-Y203 HydrophobicContact CD2-CD2 3.55Å; F199-Y203 AromaticContact CD2-CE2 3.75Å; F199-Y203 HydrophobicContact CD2-CE2 3.75Å; F199-Y203 HydrophobicContact CE1-CD2 4.34Å; F199-Y203 AromaticContact CE2-CD2 3.41Å; F199-Y203 HydrophobicContact CE2-CD2 3.41Å; F199-Y203 VanDerWaalsContact CE2-CD2 3.41Å; F199-Y203 AromaticContact CE2-CE2 3.59Å; F199-Y203 HydrophobicContact CE2-CE2 3.59Å; F199-Y203 HydrophobicContact CE2-CG 4.42Å; F199-Y203 HydrophobicContact CG-CD2 4.08Å; F199-Y203 AromaticContact CZ-CD2 3.84Å; F199-Y203 HydrophobicContact CZ-CD2 3.84Å; F199-Y203 HydrophobicContact CZ-CE2 4.39Å; F199-Y203 HydrophobicContact CZ-CG 4.49Å; F199-Y203 PolarHBondContact O-N 2.71Å; F199-L205 HydrophobicContact CD1-CD1 4.23Å; F199-L205 HydrophobicContact CD1-CD2 4.19Å; F199-L205 HydrophobicContact CE1-CD1 4.18Å; F199-L205 HydrophobicContact CE1-CD2 3.63Å
200	T	91.9	Very high	88.2	Confident	27 Å²	27	62.4 Å²	62.4	17%	0.166	34%	0.339	C	S	.	.	H	α-helix	trans	-72	-9.8	179.3	53.7	0	0	0	0	114.6	M176 E180 F198 L205	M176-T200 HydrophobicContact CE-CG2 4.28Å; M176-T200 HydrophobicContact CG-CG2 3.22Å; M176-T200 HydrophobicContact SD-CG2 3.66Å; E180-T200 HydrophobicContact CB-CG2 4.35Å; E180-T200 WeakPolarHBondContact OE2-CB 3.29Å; E180-T200 WeakPolarHBondContact OE2-CG2 3.36Å; E180-T200 PolarHBondContact OE2-N 3.25Å; E180-T200 PolarHBondContact OE2-OG1 2.68Å; F198-T200 PolarHBondContact O-N 3.4Å; T200-L205 HydrophobicContact CG2-CD1 3.72Å; T200-L205 HydrophobicContact CG2-CG 4.14Å
201	M	90.9	Very high	88.2	Confident	155 Å²	155	61.3 Å²	61.3	76%	0.764	33%	0.334	S	S	*	.	H	α-helix	trans	-83.1	-23.2	168.3	-70.3	-174	67.2	0	0	112.5	F198 F199	F198-M201 HydrophobicContact CB-CB 4.31Å; F198-M201 HydrophobicContact CB-CG 3.95Å; F198-M201 HydrophobicContact CB-SD 4.13Å; F198-M201 HydrophobicContact CD2-SD 3.86Å; F198-M201 HydrophobicContact CG-SD 4.46Å; F198-M201 WeakPolarHBondContact O-CB 3.44Å; F198-M201 PolarHBondContact O-N 3.29Å; F199-M201 PolarHBondContact O-N 3.24Å
202	K	91.3	Very high	88.7	Confident	106 Å²	106	52.8 Å²	52.8	46%	0.461	29%	0.294	S	S	.	.	H	α-helix	trans	-96.1	-39.2	179.2	-67	-159.6	179.4	-171.4	0	113	F188 G195 D196 F199	F188-K202 HydrophobicContact CE1-CD 4.06Å; F188-K202 HydrophobicContact CZ-CD 4.18Å; G195-K202 PolarHBondContact O-NZ 3.2Å; D196-K202 WeakPolarHBondContact O-CE 3.33Å; D196-K202 PolarHBondContact O-NZ 2.88Å; F199-K202 PolarHBondContact O-N 3.35Å
203	Y	93.9	Very high	89.1	Confident	21 Å²	21	50.7 Å²	50.7	8%	0.082	26%	0.263	C	S	.	.	S	Bend	trans	-118.8	137	-175.6	-50.8	-74.5	0	0	0	111	V155 C158 S159 I161 F188 F199	V155-Y203 HydrophobicContact CB-CE2 4.41Å; V155-Y203 HydrophobicContact CG2-CE2 3.88Å; V155-Y203 WeakPolarHBondContact CG2-OH 3.24Å; V155-Y203 WeakPolarHBondContact O-CE1 3.4Å; C158-Y203 VanDerWaalsContact O-CD1 3.26Å; C158-Y203 WeakPolarHBondContact O-CD1 3.45Å; C158-Y203 WeakPolarHBondContact O-CE1 3.4Å; S159-Y203 WeakPolarHBondContact O-CA 3.39Å; I161-Y203 HydrophobicContact CD1-CD1 4.05Å; I161-Y203 HydrophobicContact CD1-CD2 4.26Å; I161-Y203 HydrophobicContact CD1-CG 3.81Å; F188-Y203 HydrophobicContact CE1-CE2 4.25Å; F188-Y203 AromaticContact CE2-CE2 3.95Å; F188-Y203 HydrophobicContact CE2-CE2 3.95Å; F188-Y203 AromaticContact CZ-CE2 3.57Å; F188-Y203 HydrophobicContact CZ-CE2 3.57Å; F199-Y203 HydrophobicContact CD1-CD2 4.44Å; F199-Y203 AromaticContact CD2-CD2 3.55Å; F199-Y203 HydrophobicContact CD2-CD2 3.55Å; F199-Y203 AromaticContact CD2-CE2 3.75Å; F199-Y203 HydrophobicContact CD2-CE2 3.75Å; F199-Y203 HydrophobicContact CE1-CD2 4.34Å; F199-Y203 AromaticContact CE2-CD2 3.41Å; F199-Y203 HydrophobicContact CE2-CD2 3.41Å; F199-Y203 VanDerWaalsContact CE2-CD2 3.41Å; F199-Y203 AromaticContact CE2-CE2 3.59Å; F199-Y203 HydrophobicContact CE2-CE2 3.59Å; F199-Y203 HydrophobicContact CE2-CG 4.42Å; F199-Y203 HydrophobicContact CG-CD2 4.08Å; F199-Y203 AromaticContact CZ-CD2 3.84Å; F199-Y203 HydrophobicContact CZ-CD2 3.84Å; F199-Y203 HydrophobicContact CZ-CE2 4.39Å; F199-Y203 HydrophobicContact CZ-CG 4.49Å; F199-Y203 PolarHBondContact O-N 2.71Å
204	E	94.2	Very high	89.4	Confident	124 Å²	124	52.6 Å²	52.6	58%	0.579	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	120.2	173.1	173.8	-177.7	-163.9	0	0	109.3	S159 R160 I161	S159-E204 PolarHBondContact O-N 3.24Å; R160-E204 CarbonylContact C-O 3.59Å; R160-E204 VanDerWaalsContact CA-O 3.29Å; R160-E204 WeakPolarHBondContact CA-O 3.15Å; R160-E204 WeakPolarHBondContact CD-OE2 3.4Å; R160-E204 HydrophobicContact CG-CB 3.94Å; R160-E204 HydrophobicContact CG-CG 4.24Å; R160-E204 WeakPolarHBondContact CG-OE2 3.27Å; I161-E204 PolarHBondContact N-O 2.99Å
205	L	94.6	Very high	89.8	Confident	13 Å²	13	52.4 Å²	52.4	7%	0.068	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	139	-178	-51.6	-167.5	0	0	0	111.6	I161 I163 F174 M176 V179 F199 T200	I161-L205 HydrophobicContact CB-CD2 3.9Å; I161-L205 WeakPolarHBondContact O-CA 3.49Å; I163-L205 HydrophobicContact CG1-CD1 4.46Å; F174-L205 HydrophobicContact CZ-CB 3.96Å; M176-L205 HydrophobicContact CG-CB 4.17Å; M176-L205 HydrophobicContact CG-CD1 3.98Å; M176-L205 HydrophobicContact CG-CG 4.16Å; M176-L205 HydrophobicContact SD-CB 3.99Å; M176-L205 HydrophobicContact SD-CG 4.06Å; V179-L205 HydrophobicContact CB-CD1 4.04Å; V179-L205 HydrophobicContact CG1-CD1 3.72Å; F199-L205 HydrophobicContact CD1-CD1 4.23Å; F199-L205 HydrophobicContact CD1-CD2 4.19Å; F199-L205 HydrophobicContact CE1-CD1 4.18Å; F199-L205 HydrophobicContact CE1-CD2 3.63Å; T200-L205 HydrophobicContact CG2-CD1 3.72Å; T200-L205 HydrophobicContact CG2-CG 4.14Å
206	Q	93.1	Very high	90.1	Very high	40 Å²	40	52.8 Å²	52.8	19%	0.187	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	143.7	176.6	58.3	177.2	78.6	0	0	111.7	S45 P47 I161 G162 I163 V208	S45-Q206 PolarHBondContact O-NE2 3.24Å; S45-Q206 PolarHBondContact O-OE1 3.25Å; S45-Q206 VanDerWaalsContact O-OE1 3.09Å; P47-Q206 HydrophobicContact CB-CG 4.13Å; P47-Q206 HydrophobicContact CG-CG 4.33Å; P47-Q206 VanDerWaalsContact CG-NE2 3.31Å; I161-Q206 PolarHBondContact O-N 3.18Å; G162-Q206 CarbonylContact C-O 3.52Å; G162-Q206 WeakPolarHBondContact CA-O 3.38Å; I163-Q206 PolarHBondContact N-O 3.44Å; Q206-V208 HydrophobicContact CG-CG1 4.44Å
207	D	92.9	Very high	90.3	Very high	44 Å²	44	48.8 Å²	48.8	24%	0.235	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	128.3	171.9	-171.2	3.2	0	0	0	110.6	F174 S209	F174-D207 HydrophobicContact CB-CB 4.05Å; F174-D207 HydrophobicContact CD1-CB 4.43Å; F174-D207 HydrophobicContact CD2-CB 3.69Å; F174-D207 HydrophobicContact CE2-CB 4.22Å; F174-D207 HydrophobicContact CG-CB 3.8Å; D207-S209 WeakPolarHBondContact OD1-CB 3.36Å; D207-S209 PolarHBondContact OD1-N 2.92Å; D207-S209 PolarHBondContact OD1-OG 3.38Å
208	V	93.1	Very high	90.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.239	C	C	.	.			trans	-113.8	7	176.2	-65.5	0	0	0	0	113.2	P47 I50 I163 Q206 L210 N211 L212	P47-V208 HydrophobicContact CG-CG1 4.01Å; I50-V208 HydrophobicContact CD1-CG2 4.49Å; I50-V208 HydrophobicContact CG1-CG2 4.25Å; I50-V208 HydrophobicContact CG2-CG2 4.16Å; I163-V208 WeakPolarHBondContact O-CG2 3.29Å; I163-V208 PolarHBondContact O-N 3.37Å; Q206-V208 HydrophobicContact CG-CG1 4.44Å; V208-L210 PolarHBondContact O-N 3.08Å; V208-N211 PolarHBondContact O-N 3.5Å; V208-N211 VanDerWaalsContact O-N 3.16Å; V208-L212 HydrophobicContact CG2-CD1 3.75Å; V208-L212 HydrophobicContact CG2-CG 4.36Å; V208-L212 WeakPolarHBondContact O-CG 3.45Å; V208-L212 PolarHBondContact O-N 3.07Å
209	S	91.9	Very high	90.2	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.007	22%	0.216	C	C	.	.	H	α-helix	trans	-55.9	-46.2	-173.7	-52.8	0	0	0	0	112.7	Y165 S166 D207 N211 L212 W213	Y165-S209 PolarHBondContact N-OG 2.91Å; S166-S209 PolarHBondContact N-OG 3.39Å; S166-S209 WeakPolarHBondContact O-CB 3.36Å; S166-S209 PolarHBondContact O-OG 2.91Å; D207-S209 WeakPolarHBondContact OD1-CB 3.36Å; D207-S209 PolarHBondContact OD1-N 2.92Å; D207-S209 PolarHBondContact OD1-OG 3.38Å; S209-N211 PolarHBondContact O-N 3.41Å; S209-L212 PolarHBondContact O-N 2.95Å; S209-W213 PolarHBondContact O-N 3.47Å; S209-W213 PolarHBondContact O-NE1 3.32Å
210	L	88.3	Confident	90	Very high	100 Å²	100	44.3 Å²	44.3	52%	0.524	22%	0.217	S	C	.	.	H	α-helix	trans	-62.4	-41.1	179.4	-66.8	175.3	0	0	0	112.7	L171 V208 L212 W213 N214	L171-L210 HydrophobicContact CD1-CD2 4.44Å; V208-L210 PolarHBondContact O-N 3.08Å; L210-L212 VanDerWaalsContact C-N 3.33Å; L210-W213 HydrophobicContact CD2-CE3 3.63Å; L210-W213 HydrophobicContact CD2-CH2 4.35Å; L210-W213 HydrophobicContact CD2-CZ3 3.46Å; L210-W213 VanDerWaalsContact CD2-CZ3 3.46Å; L210-W213 PolarHBondContact O-N 3.15Å; L210-N214 PolarHBondContact O-N 2.89Å
211	N	89.6	Confident	89.9	Confident	66 Å²	66	44.3 Å²	44.3	35%	0.353	22%	0.218	S	C	.	.	H	α-helix	trans	-65.4	-39.6	177.2	-64	84.7	0	0	0	111.2	I38 V208 S209 N214 V215	I38-N211 HydrophobicContact CD1-CB 3.95Å; I38-N211 HydrophobicContact CG1-CB 4.29Å; I38-N211 HydrophobicContact CG2-CB 3.95Å; V208-N211 PolarHBondContact O-N 3.5Å; V208-N211 VanDerWaalsContact O-N 3.16Å; S209-N211 PolarHBondContact O-N 3.41Å; N211-N214 PolarHBondContact O-N 2.89Å; N211-V215 PolarHBondContact O-N 3.01Å
212	L	91.2	Very high	89.7	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-68	-40.2	177.5	-74.2	171.5	0	0	0	112.5	V35 I38 I50 L67 P164 V208 S209 L210 N214 V215 Y216	V35-L212 HydrophobicContact CG1-CD2 4.03Å; V35-L212 HydrophobicContact CG2-CD2 4.21Å; I38-L212 HydrophobicContact CD1-CD2 3.66Å; I38-L212 HydrophobicContact CD1-CG 4.08Å; I50-L212 HydrophobicContact CD1-CD2 4.44Å; L67-L212 HydrophobicContact CD1-CD2 4.04Å; L67-L212 HydrophobicContact CD2-CD1 4.25Å; P164-L212 HydrophobicContact CB-CD1 3.6Å; V208-L212 HydrophobicContact CG2-CD1 3.75Å; V208-L212 HydrophobicContact CG2-CG 4.36Å; V208-L212 WeakPolarHBondContact O-CG 3.45Å; V208-L212 PolarHBondContact O-N 3.07Å; S209-L212 PolarHBondContact O-N 2.95Å; L210-L212 VanDerWaalsContact C-N 3.33Å; L212-N214 PolarHBondContact O-N 2.81Å; L212-V215 CarbonylContact O-C 3.5Å; L212-V215 WeakPolarHBondContact O-CA 3.42Å; L212-V215 VanDerWaalsContact O-CB 3.31Å; L212-V215 WeakPolarHBondContact O-CB 3.37Å; L212-V215 PolarHBondContact O-N 2.84Å; L212-Y216 HydrophobicContact CB-CE1 4.16Å; L212-Y216 HydrophobicContact CB-CE2 4.04Å; L212-Y216 HydrophobicContact CD2-CE1 4.29Å; L212-Y216 VanDerWaalsContact O-CD1 3.3Å; L212-Y216 WeakPolarHBondContact O-CD1 3.49Å; L212-Y216 VanDerWaalsContact O-CG 3.25Å; L212-Y216 PolarHBondContact O-N 3.45Å
213	W	87.2	Confident	89.5	Confident	32 Å²	32	35.1 Å²	35.1	12%	0.121	18%	0.179	C	C	.	.	H	α-helix	trans	-61.6	-33.4	176.7	-59.6	-16.9	0	0	0	112.8	S166 S167 Q168 L171 S209 L210 V215 Y216 S217	S166-W213 PolarHBondContact O-NE1 2.75Å; S167-W213 VanDerWaalsContact C-CZ2 3.4Å; S167-W213 WeakPolarHBondContact O-CZ2 3.42Å; Q168-W213 HydrophobicContact CB-CD2 4.22Å; Q168-W213 HydrophobicContact CB-CG 4.12Å; Q168-W213 HydrophobicContact CG-CB 4.14Å; Q168-W213 HydrophobicContact CG-CD2 3.89Å; Q168-W213 HydrophobicContact CG-CE3 4.38Å; Q168-W213 HydrophobicContact CG-CG 3.74Å; L171-W213 HydrophobicContact CB-CH2 4.31Å; L171-W213 HydrophobicContact CD1-CH2 3.73Å; L171-W213 HydrophobicContact CD1-CZ3 4.19Å; S209-W213 PolarHBondContact O-N 3.47Å; S209-W213 PolarHBondContact O-NE1 3.32Å; L210-W213 HydrophobicContact CD2-CE3 3.63Å; L210-W213 HydrophobicContact CD2-CH2 4.35Å; L210-W213 HydrophobicContact CD2-CZ3 3.46Å; L210-W213 VanDerWaalsContact CD2-CZ3 3.46Å; L210-W213 PolarHBondContact O-N 3.15Å; W213-V215 VanDerWaalsContact C-N 3.29Å; W213-V215 PolarHBondContact O-N 3.19Å; W213-Y216 AromaticContact CD1-CD2 3.97Å; W213-Y216 AromaticContact CD1-CE2 3.98Å; W213-Y216 PolarHBondContact O-N 2.77Å; W213-S217 WeakPolarHBondContact O-CB 3.37Å; W213-S217 PolarHBondContact O-N 2.93Å; W213-S217 PolarHBondContact O-OG 3.45Å
214	N	85.1	Confident	89.3	Confident	100 Å²	100	34.2 Å²	34.2	54%	0.535	18%	0.175	S	C	.	.	H	α-helix	trans	-65	-34.8	171.9	-69.4	-20	0	0	0	111.8	L210 N211 L212	L210-N214 PolarHBondContact O-N 2.89Å; N211-N214 PolarHBondContact O-N 2.89Å; L212-N214 PolarHBondContact O-N 2.81Å
215	V	89	Confident	89	Confident	8 Å²	8	31.2 Å²	31.2	5%	0.048	16%	0.161	C	C	.	.	H	α-helix	trans	-69.4	-48.4	173.9	172.9	0	0	0	0	110.8	Q34 V35 I38 Y70 N211 L212 W213 S217 K218	Q34-V215 HydrophobicContact CB-CG1 3.71Å; V35-V215 HydrophobicContact CG2-CG1 4.36Å; I38-V215 HydrophobicContact CD1-CG2 3.95Å; I38-V215 HydrophobicContact CG1-CG2 4.28Å; Y70-V215 HydrophobicContact CE1-CG1 3.77Å; Y70-V215 WeakPolarHBondContact OH-CG1 3.19Å; N211-V215 PolarHBondContact O-N 3.01Å; L212-V215 CarbonylContact O-C 3.5Å; L212-V215 WeakPolarHBondContact O-CA 3.42Å; L212-V215 VanDerWaalsContact O-CB 3.31Å; L212-V215 WeakPolarHBondContact O-CB 3.37Å; L212-V215 PolarHBondContact O-N 2.84Å; W213-V215 VanDerWaalsContact C-N 3.29Å; W213-V215 PolarHBondContact O-N 3.19Å; V215-S217 PolarHBondContact O-N 2.93Å; V215-K218 WeakPolarHBondContact O-CB 3.32Å; V215-K218 PolarHBondContact O-N 3.43Å
216	Y	86.8	Confident	88.6	Confident	21 Å²	21	33.3 Å²	33.3	8%	0.082	18%	0.177	C	C	.	.	H	α-helix	trans	-62.8	-27.2	-178.6	-54.1	-20.1	0	0	0	113.3	E66 L67 Y70 L212 W213 K218	E66-Y216 HydrophobicContact CB-CE2 4.48Å; E66-Y216 HydrophobicContact CG-CD2 4.06Å; E66-Y216 HydrophobicContact CG-CE2 3.66Å; L67-Y216 WeakPolarHBondContact CA-OH 3.33Å; L67-Y216 VanDerWaalsContact CB-OH 3.24Å; L67-Y216 WeakPolarHBondContact CB-OH 3.38Å; L67-Y216 HydrophobicContact CD1-CE1 4.24Å; L67-Y216 WeakPolarHBondContact CD1-OH 3.28Å; Y70-Y216 AromaticContact CD1-CD1 3.75Å; Y70-Y216 HydrophobicContact CD1-CD1 3.75Å; Y70-Y216 AromaticContact CD1-CE1 3.68Å; Y70-Y216 HydrophobicContact CD1-CE1 3.68Å; Y70-Y216 AromaticContact CD2-CD1 3.66Å; Y70-Y216 HydrophobicContact CD2-CD1 3.66Å; Y70-Y216 HydrophobicContact CD2-CE1 4.31Å; Y70-Y216 HydrophobicContact CD2-CG 4.39Å; Y70-Y216 HydrophobicContact CE1-CD1 4.15Å; Y70-Y216 HydrophobicContact CE1-CE1 4.35Å; Y70-Y216 HydrophobicContact CE2-CD1 4.09Å; Y70-Y216 AromaticContact CG-CD1 3.47Å; Y70-Y216 HydrophobicContact CG-CD1 3.47Å; Y70-Y216 VanDerWaalsContact CG-CD1 3.47Å; Y70-Y216 AromaticContact CG-CE1 3.64Å; Y70-Y216 HydrophobicContact CG-CE1 3.64Å; Y70-Y216 HydrophobicContact CG-CG 4.48Å; L212-Y216 HydrophobicContact CB-CE1 4.16Å; L212-Y216 HydrophobicContact CB-CE2 4.04Å; L212-Y216 HydrophobicContact CD2-CE1 4.29Å; L212-Y216 VanDerWaalsContact O-CD1 3.3Å; L212-Y216 WeakPolarHBondContact O-CD1 3.49Å; L212-Y216 VanDerWaalsContact O-CG 3.25Å; L212-Y216 PolarHBondContact O-N 3.45Å; W213-Y216 AromaticContact CD1-CD2 3.97Å; W213-Y216 AromaticContact CD1-CE2 3.98Å; W213-Y216 PolarHBondContact O-N 2.77Å; Y216-K218 PolarHBondContact O-N 3.14Å
217	S	82.1	Confident	88.4	Confident	7 Å²	7	31.7 Å²	31.7	5%	0.049	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-19.5	-178.8	-64.5	0	0	0	0	113.4	W213 V215 F449	W213-S217 WeakPolarHBondContact O-CB 3.37Å; W213-S217 PolarHBondContact O-N 2.93Å; W213-S217 PolarHBondContact O-OG 3.45Å; V215-S217 PolarHBondContact O-N 2.93Å; S217-F449 WeakPolarHBondContact O-CD1 3.43Å; S217-F449 WeakPolarHBondContact O-CE1 3.35Å
218	K	86.3	Confident	88.2	Confident	48 Å²	48	29.7 Å²	29.7	21%	0.209	16%	0.159	C	C	.	.	S	Bend	trans	-73.2	133	-175.8	-60.9	-175.6	179.3	-164.6	0	110.7	V215 Y216 D220 D445 F449	V215-K218 WeakPolarHBondContact O-CB 3.32Å; V215-K218 PolarHBondContact O-N 3.43Å; Y216-K218 PolarHBondContact O-N 3.14Å; K218-D220 PolarHBondContact O-N 2.89Å; K218-D445 VanDerWaalsContact CE-CG 3.47Å; K218-D445 WeakPolarHBondContact CE-OD1 3.46Å; K218-D445 IonicContact NZ-OD1 2.72Å; K218-D445 PolarHBondContact NZ-OD1 3.46Å; K218-D445 IonicContact NZ-OD2 3.35Å; K218-F449 HydrophobicContact CG-CE1 4.49Å
219	M	88.2	Confident	87.7	Confident	14 Å²	14	31.3 Å²	31.3	7%	0.069	17%	0.17	C	C	.	.			trans	-71.9	127.8	172.6	-67.3	-72.5	-69.5	0	0	110.2	L224 L227 S448 F712	M219-L224 VanDerWaalsContact CE-CA 3.46Å; M219-L224 HydrophobicContact CE-CB 3.79Å; M219-L224 HydrophobicContact CE-CD1 3.81Å; M219-L224 HydrophobicContact CE-CG 4.41Å; M219-L227 HydrophobicContact CE-CB 4.22Å; M219-L227 HydrophobicContact CE-CD2 3.63Å; M219-S448 WeakPolarHBondContact CB-O 3.35Å; M219-S448 WeakPolarHBondContact CG-O 3.31Å; M219-S448 PolarHBondContact N-O 3.4Å; M219-F712 HydrophobicContact CB-CZ 3.93Å; M219-F712 WeakPolarHBondContact O-CZ 3.34Å
220	D	89.5	Confident	87.4	Confident	2 Å²	2	36 Å²	36	1%	0.011	20%	0.195	C	C	.	.			trans	-122.4	176.7	166.9	74.2	19.5	0	0	0	109.7	R31 K218 M222 S223 L224	R31-D220 IonicContact CZ-OD2 3.97Å; R31-D220 IonicContact NE-OD2 2.72Å; R31-D220 PolarHBondContact NE-OD2 3.31Å; R31-D220 IonicContact NH2-OD1 3.19Å; R31-D220 PolarHBondContact NH2-OD1 2.98Å; R31-D220 IonicContact NH2-OD2 3.6Å; R31-D220 PolarHBondContact NH2-OD2 3.27Å; K218-D220 PolarHBondContact O-N 2.89Å; D220-M222 PolarHBondContact O-N 3.32Å; D220-M222 WeakPolarHBondContact OD1-CA 3.39Å; D220-M222 WeakPolarHBondContact OD1-CB 3.31Å; D220-M222 PolarHBondContact OD1-N 2.77Å; D220-S223 PolarHBondContact O-N 3.01Å; D220-S223 PolarHBondContact OD1-N 2.92Å; D220-S223 PolarHBondContact OD1-OG 2.87Å; D220-L224 WeakPolarHBondContact O-CB 3.46Å; D220-L224 PolarHBondContact O-N 2.79Å
221	P	88.8	Confident	87.3	Confident	28 Å²	28	33.8 Å²	33.8	18%	0.182	18%	0.184	C	C	.	.	H	α-helix	trans	-59.7	-30.5	-176	-28.4	38.7	0	0	0	113.9	V27 E225 F712 A713 S716	V27-P221 HydrophobicContact CG2-CB 4.15Å; V27-P221 HydrophobicContact CG2-CG 4.04Å; P221-E225 WeakPolarHBondContact O-CB 3.04Å; P221-E225 PolarHBondContact O-N 3Å; P221-F712 HydrophobicContact CG-CD1 4.39Å; P221-A713 HydrophobicContact CG-CB 4.26Å; P221-S716 VanDerWaalsContact CD-OG 3.32Å; P221-S716 WeakPolarHBondContact CD-OG 3.37Å; P221-S716 WeakPolarHBondContact CG-OG 3.43Å
222	M	86.8	Confident	87.4	Confident	35 Å²	35	30.8 Å²	30.8	17%	0.172	17%	0.167	C	C	.	.	H	α-helix	trans	-79.1	-40.5	179.5	-68.7	-62	-48.7	0	0	111.5	V27 F73 D220 L224 E225 S226	V27-M222 HydrophobicContact CB-CG 4.38Å; V27-M222 HydrophobicContact CG1-CB 4.48Å; V27-M222 HydrophobicContact CG1-CG 3.86Å; F73-M222 HydrophobicContact CD1-CB 4.15Å; F73-M222 HydrophobicContact CD1-CE 4.24Å; F73-M222 HydrophobicContact CD1-CG 3.67Å; F73-M222 HydrophobicContact CD1-SD 4.43Å; F73-M222 HydrophobicContact CE1-CB 4.33Å; F73-M222 HydrophobicContact CE1-CG 3.56Å; D220-M222 PolarHBondContact O-N 3.32Å; D220-M222 WeakPolarHBondContact OD1-CA 3.39Å; D220-M222 WeakPolarHBondContact OD1-CB 3.31Å; D220-M222 PolarHBondContact OD1-N 2.77Å; M222-L224 VanDerWaalsContact C-N 3.27Å; M222-L224 PolarHBondContact O-N 3.29Å; M222-E225 PolarHBondContact O-N 3.18Å; M222-S226 PolarHBondContact O-N 2.82Å
223	S	87.7	Confident	87.3	Confident	33 Å²	33	33.7 Å²	33.7	23%	0.231	19%	0.185	C	C	.	.	H	α-helix	trans	-63	-37	171.7	-57.3	0	0	0	0	111	R31 D220 L227	R31-S223 PolarHBondContact NH2-OG 2.71Å; D220-S223 PolarHBondContact O-N 3.01Å; D220-S223 PolarHBondContact OD1-N 2.92Å; D220-S223 PolarHBondContact OD1-OG 2.87Å; S223-L227 WeakPolarHBondContact O-CB 3.29Å; S223-L227 PolarHBondContact O-N 2.81Å
224	L	89.4	Confident	87.4	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-67.3	-42.1	173.3	-177.4	59	0	0	0	112.2	M219 D220 M222 S226 L227 L228 L480 L502 F708 L709 F712	M219-L224 VanDerWaalsContact CE-CA 3.46Å; M219-L224 HydrophobicContact CE-CB 3.79Å; M219-L224 HydrophobicContact CE-CD1 3.81Å; M219-L224 HydrophobicContact CE-CG 4.41Å; D220-L224 WeakPolarHBondContact O-CB 3.46Å; D220-L224 PolarHBondContact O-N 2.79Å; M222-L224 VanDerWaalsContact C-N 3.27Å; M222-L224 PolarHBondContact O-N 3.29Å; L224-S226 VanDerWaalsContact C-N 3.34Å; L224-S226 PolarHBondContact O-N 2.9Å; L224-L227 HydrophobicContact CD1-CD2 4.28Å; L224-L227 PolarHBondContact O-N 2.87Å; L224-L228 HydrophobicContact CD1-CD1 4.11Å; L224-L228 HydrophobicContact CD1-CG 4.07Å; L224-L228 HydrophobicContact CG-CD1 3.93Å; L224-L228 HydrophobicContact CG-CG 4.35Å; L224-L228 WeakPolarHBondContact O-CB 3.38Å; L224-L228 WeakPolarHBondContact O-CG 3.13Å; L224-L228 PolarHBondContact O-N 3.2Å; L224-L480 HydrophobicContact CD1-CD2 4.09Å; L224-L480 HydrophobicContact CD2-CD2 4.21Å; L224-L502 HydrophobicContact CD1-CD2 4.5Å; L224-F708 HydrophobicContact CD2-CD1 4.39Å; L224-F708 HydrophobicContact CD2-CE1 3.92Å; L224-L709 HydrophobicContact CD2-CD2 3.66Å; L224-L709 HydrophobicContact CG-CD2 4.27Å; L224-F712 HydrophobicContact CB-CE1 4.06Å; L224-F712 HydrophobicContact CD2-CD1 3.52Å; L224-F712 HydrophobicContact CD2-CE1 3.78Å; L224-F712 HydrophobicContact CD2-CG 4.22Å
225	E	87.1	Confident	87.7	Confident	61 Å²	61	29.1 Å²	29.1	29%	0.285	17%	0.168	S	C	.	.	H	α-helix	trans	-61.3	-42.5	176	-174.4	175.9	-172.7	0	0	111.9	P221 M222 L228 S229	P221-E225 WeakPolarHBondContact O-CB 3.04Å; P221-E225 PolarHBondContact O-N 3Å; M222-E225 PolarHBondContact O-N 3.18Å; E225-L228 PolarHBondContact O-N 3.27Å; E225-S229 VanDerWaalsContact O-CB 3.25Å; E225-S229 WeakPolarHBondContact O-CB 3.4Å; E225-S229 PolarHBondContact O-N 3.48Å; E225-S229 PolarHBondContact O-OG 3.24Å
226	S	85.8	Confident	87.8	Confident	58 Å²	58	29.9 Å²	29.9	41%	0.406	17%	0.171	S	C	.	.	H	α-helix	trans	-65.1	-44.7	174.4	-179.4	0	0	0	0	111.8	M222 L224 L228 S229 D230	M222-S226 PolarHBondContact O-N 2.82Å; L224-S226 VanDerWaalsContact C-N 3.34Å; L224-S226 PolarHBondContact O-N 2.9Å; S226-L228 VanDerWaalsContact C-N 3.27Å; S226-L228 PolarHBondContact O-N 3.09Å; S226-S229 PolarHBondContact O-N 3Å; S226-D230 PolarHBondContact O-N 2.79Å; S226-D230 PolarHBondContact OG-OD2 2.85Å
227	L	89.1	Confident	88.1	Confident	6 Å²	6	34 Å²	34	3%	0.031	19%	0.191	C	C	.	.	I	π-helix	trans	-57	-40.8	174.8	-176.6	74.4	0	0	0	111.8	M219 S223 L224 D231 L232 P337 L338 V450 L502	M219-L227 HydrophobicContact CE-CB 4.22Å; M219-L227 HydrophobicContact CE-CD2 3.63Å; S223-L227 WeakPolarHBondContact O-CB 3.29Å; S223-L227 PolarHBondContact O-N 2.81Å; L224-L227 HydrophobicContact CD1-CD2 4.28Å; L224-L227 PolarHBondContact O-N 2.87Å; L227-D231 HydrophobicContact CD1-CB 3.89Å; L227-D231 PolarHBondContact O-N 3.09Å; L227-L232 VanDerWaalsContact O-CB 3.28Å; L227-L232 WeakPolarHBondContact O-CB 3.39Å; L227-L232 PolarHBondContact O-N 3.28Å; L227-P337 HydrophobicContact CD1-CG 3.97Å; L227-P337 HydrophobicContact CD2-CG 4.41Å; L227-L338 HydrophobicContact CD1-CD1 4.14Å; L227-L338 HydrophobicContact CD1-CD2 4.38Å; L227-L338 HydrophobicContact CD1-CG 4.04Å; L227-L338 HydrophobicContact CD2-CD2 4.45Å; L227-V450 HydrophobicContact CD2-CG2 4.14Å; L227-L502 HydrophobicContact CD2-CD1 3.89Å
228	L	88.8	Confident	88.6	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.01	20%	0.196	C	C	.	.	I	π-helix	trans	-75.4	-37.5	-179.6	-69.5	171.2	0	0	0	112.8	L224 E225 S226 L232 L502 L698 L705 L709	L224-L228 HydrophobicContact CD1-CD1 4.11Å; L224-L228 HydrophobicContact CD1-CG 4.07Å; L224-L228 HydrophobicContact CG-CD1 3.93Å; L224-L228 HydrophobicContact CG-CG 4.35Å; L224-L228 WeakPolarHBondContact O-CB 3.38Å; L224-L228 WeakPolarHBondContact O-CG 3.13Å; L224-L228 PolarHBondContact O-N 3.2Å; E225-L228 PolarHBondContact O-N 3.27Å; S226-L228 VanDerWaalsContact C-N 3.27Å; S226-L228 PolarHBondContact O-N 3.09Å; L228-L232 HydrophobicContact CD2-CD2 3.78Å; L228-L502 HydrophobicContact CD2-CD2 4.04Å; L228-L698 HydrophobicContact CB-CD1 4.49Å; L228-L698 VanDerWaalsContact O-CD1 3.3Å; L228-L698 WeakPolarHBondContact O-CD1 3.09Å; L228-L705 HydrophobicContact CD1-CD1 3.87Å; L228-L705 HydrophobicContact CD2-CD1 4.48Å; L228-L709 HydrophobicContact CD1-CD2 4.2Å
229	S	83.7	Confident	88.9	Confident	33 Å²	33	33 Å²	33	23%	0.231	19%	0.186	C	C	.	.	I	π-helix	trans	-83.8	-35.6	-172.7	-58.7	0	0	0	0	113.2	E225 S226 V233	E225-S229 VanDerWaalsContact O-CB 3.25Å; E225-S229 WeakPolarHBondContact O-CB 3.4Å; E225-S229 PolarHBondContact O-N 3.48Å; E225-S229 PolarHBondContact O-OG 3.24Å; S226-S229 PolarHBondContact O-N 3Å; S229-V233 VanDerWaalsContact O-CG2 3.23Å; S229-V233 WeakPolarHBondContact O-CG2 3.45Å
230	D	84.4	Confident	89.1	Confident	99 Å²	99	36.5 Å²	36.5	53%	0.529	21%	0.209	S	C	.	.	I	π-helix	trans	-109.8	-63.6	-173	-56.4	-41.4	0	0	0	110.8	S226 V233 A234	S226-D230 PolarHBondContact O-N 2.79Å; S226-D230 PolarHBondContact OG-OD2 2.85Å; D230-V233 PolarHBondContact O-N 3.48Å; D230-A234 WeakPolarHBondContact O-CB 3.33Å; D230-A234 PolarHBondContact O-N 3.33Å
231	D	87.8	Confident	89.2	Confident	55 Å²	55	38.1 Å²	38.1	29%	0.294	22%	0.22	S	C	.	.	I	π-helix	trans	-68.1	-45.7	-170.6	-70.9	-21.6	0	0	0	113	L227 V233 A234 F235 L338	L227-D231 HydrophobicContact CD1-CB 3.89Å; L227-D231 PolarHBondContact O-N 3.09Å; D231-V233 VanDerWaalsContact C-N 3.31Å; D231-V233 PolarHBondContact O-N 2.86Å; D231-A234 PolarHBondContact O-N 3.48Å; D231-F235 WeakPolarHBondContact O-CB 3.39Å; D231-F235 PolarHBondContact O-N 3.19Å; D231-L338 HydrophobicContact CB-CD1 4.32Å
232	L	90.3	Very high	89.4	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-65.9	-37.2	179.9	-177.6	62.2	0	0	0	111.1	L227 L228 F235 E236 L338 L698	L227-L232 VanDerWaalsContact O-CB 3.28Å; L227-L232 WeakPolarHBondContact O-CB 3.39Å; L227-L232 PolarHBondContact O-N 3.28Å; L228-L232 HydrophobicContact CD2-CD2 3.78Å; L232-F235 PolarHBondContact O-N 3.26Å; L232-E236 HydrophobicContact CD1-CG 4.37Å; L232-E236 HydrophobicContact CG-CG 4.49Å; L232-E236 WeakPolarHBondContact O-CB 3.4Å; L232-E236 WeakPolarHBondContact O-CG 3.28Å; L232-E236 PolarHBondContact O-N 3.44Å; L232-L338 HydrophobicContact CB-CD1 4.15Å; L232-L338 HydrophobicContact CD1-CD1 4.05Å; L232-L698 HydrophobicContact CD2-CD2 4.06Å
233	V	88.8	Confident	89.6	Confident	63 Å²	63	35.7 Å²	35.7	38%	0.382	21%	0.206	S	C	.	.	H	α-helix	trans	-66.1	-46.3	176.7	177.3	0	0	0	0	110.5	S229 D230 D231 F235 E236 H237	S229-V233 VanDerWaalsContact O-CG2 3.23Å; S229-V233 WeakPolarHBondContact O-CG2 3.45Å; D230-V233 PolarHBondContact O-N 3.48Å; D231-V233 VanDerWaalsContact C-N 3.31Å; D231-V233 PolarHBondContact O-N 2.86Å; V233-F235 VanDerWaalsContact C-N 3.3Å; V233-F235 PolarHBondContact O-N 3.35Å; V233-E236 PolarHBondContact O-N 3.24Å; V233-H237 WeakPolarHBondContact O-CB 3.42Å; V233-H237 PolarHBondContact O-N 2.74Å
234	A	89.6	Confident	89.7	Confident	36 Å²	36	36.8 Å²	36.8	30%	0.298	22%	0.217	S	C	.	.	H	α-helix	trans	-61.7	-39.4	175.2	0	0	0	0	0	111.9	D230 D231 H237 Q238	D230-A234 WeakPolarHBondContact O-CB 3.33Å; D230-A234 PolarHBondContact O-N 3.33Å; D231-A234 PolarHBondContact O-N 3.48Å; A234-H237 WeakPolarHBondContact O-CB 3.32Å; A234-H237 PolarHBondContact O-N 2.95Å; A234-Q238 WeakPolarHBondContact O-CG 3.46Å; A234-Q238 PolarHBondContact O-N 3.47Å; A234-Q238 PolarHBondContact O-NE2 3.03Å
235	F	92.3	Very high	89.6	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66	-47.9	177.3	-176.2	-95.1	0	0	0	112.3	D231 L232 V233 H237 Q238 W239 C331 L338 T503 V506	D231-F235 WeakPolarHBondContact O-CB 3.39Å; D231-F235 PolarHBondContact O-N 3.19Å; L232-F235 PolarHBondContact O-N 3.26Å; V233-F235 VanDerWaalsContact C-N 3.3Å; V233-F235 PolarHBondContact O-N 3.35Å; F235-H237 VanDerWaalsContact C-N 3.27Å; F235-H237 PolarHBondContact O-N 3.16Å; F235-Q238 WeakPolarHBondContact O-CB 3.35Å; F235-Q238 PolarHBondContact O-N 3.34Å; F235-Q238 VanDerWaalsContact O-N 3.15Å; F235-W239 AromaticContact CD1-CD1 3.98Å; F235-W239 AromaticContact CD1-NE1 3.97Å; F235-W239 AromaticContact CE1-CD1 3.71Å; F235-W239 AromaticContact CE1-NE1 3.24Å; F235-W239 AromaticContact CZ-NE1 3.4Å; F235-W239 PolarHBondContact O-N 3.45Å; F235-C331 HydrophobicContact CE2-CB 3.94Å; F235-C331 HydrophobicContact CZ-CB 4.02Å; F235-L338 HydrophobicContact CB-CD1 4.14Å; F235-L338 HydrophobicContact CD2-CB 4.13Å; F235-L338 HydrophobicContact CE2-CB 4.25Å; F235-L338 HydrophobicContact CG-CB 4.37Å; F235-L338 HydrophobicContact CG-CD1 4.29Å; F235-T503 HydrophobicContact CD1-CG2 4.49Å; F235-T503 HydrophobicContact CE1-CG2 3.77Å; F235-T503 HydrophobicContact CZ-CG2 4.32Å; F235-V506 HydrophobicContact CE1-CG2 4.32Å
236	E	91.3	Very high	89.5	Confident	23 Å²	23	36.4 Å²	36.4	11%	0.107	22%	0.216	C	C	.	.	H	α-helix	trans	-62.2	-35	175.4	-76.6	-174.2	-176.7	0	0	112.3	L232 V233 Q238 W239 T240 A505 K701	L232-E236 HydrophobicContact CD1-CG 4.37Å; L232-E236 HydrophobicContact CG-CG 4.49Å; L232-E236 WeakPolarHBondContact O-CB 3.4Å; L232-E236 WeakPolarHBondContact O-CG 3.28Å; L232-E236 PolarHBondContact O-N 3.44Å; V233-E236 PolarHBondContact O-N 3.24Å; E236-Q238 VanDerWaalsContact C-N 3.28Å; E236-Q238 PolarHBondContact O-N 3.13Å; E236-W239 PolarHBondContact O-N 3.05Å; E236-T240 PolarHBondContact O-N 2.91Å; E236-T240 PolarHBondContact O-OG1 2.7Å; E236-A505 WeakPolarHBondContact OE1-CB 3.31Å; E236-K701 IonicContact OE2-NZ 3.13Å; E236-K701 PolarHBondContact OE2-NZ 3.02Å
237	H	91.8	Very high	89.3	Confident	109 Å²	109	37.5 Å²	37.5	51%	0.505	22%	0.218	S	C	.	.	H	α-helix	trans	-60.7	-39.6	175.1	-177.2	64.6	0	0	0	111.5	V233 A234 F235 W239 T240 S241	V233-H237 WeakPolarHBondContact O-CB 3.42Å; V233-H237 PolarHBondContact O-N 2.74Å; A234-H237 WeakPolarHBondContact O-CB 3.32Å; A234-H237 PolarHBondContact O-N 2.95Å; F235-H237 VanDerWaalsContact C-N 3.27Å; F235-H237 PolarHBondContact O-N 3.16Å; H237-W239 VanDerWaalsContact C-N 3.32Å; H237-W239 PolarHBondContact O-N 2.96Å; H237-T240 WeakPolarHBondContact O-CB 3.37Å; H237-T240 PolarHBondContact O-N 3.29Å; H237-T240 VanDerWaalsContact O-N 3.12Å; H237-S241 PolarHBondContact O-N 2.75Å; H237-S241 PolarHBondContact O-OG 2.95Å
238	Q	93.4	Very high	88.7	Confident	30 Å²	30	40.7 Å²	40.7	14%	0.14	24%	0.237	C	C	.	.	H	α-helix	trans	-62.9	-38.9	176.5	-55.3	-42.3	-49.3	0	0	112.5	A234 F235 E236 T240 S241 F242 P264 F265 Y268	A234-Q238 WeakPolarHBondContact O-CG 3.46Å; A234-Q238 PolarHBondContact O-N 3.47Å; A234-Q238 PolarHBondContact O-NE2 3.03Å; F235-Q238 WeakPolarHBondContact O-CB 3.35Å; F235-Q238 PolarHBondContact O-N 3.34Å; F235-Q238 VanDerWaalsContact O-N 3.15Å; E236-Q238 VanDerWaalsContact C-N 3.28Å; E236-Q238 PolarHBondContact O-N 3.13Å; Q238-T240 VanDerWaalsContact C-N 3.33Å; Q238-S241 PolarHBondContact O-N 2.85Å; Q238-F242 WeakPolarHBondContact O-CB 3.36Å; Q238-F242 PolarHBondContact O-N 3.48Å; Q238-P264 PolarHBondContact OE1-O 3.38Å; Q238-F265 HydrophobicContact CB-CD1 3.99Å; Q238-F265 HydrophobicContact CB-CE1 4.08Å; Q238-Y268 HydrophobicContact CG-CD1 3.64Å; Q238-Y268 HydrophobicContact CG-CD2 4.04Å; Q238-Y268 HydrophobicContact CG-CE1 4.09Å; Q238-Y268 HydrophobicContact CG-CE2 4.48Å; Q238-Y268 HydrophobicContact CG-CG 3.59Å
239	W	93.3	Very high	87.8	Confident	3 Å²	3	47.2 Å²	47.2	1%	0.011	27%	0.268	C	S	.	.	H	α-helix	trans	-65.2	-37.8	173.9	-75.9	99.7	0	0	0	112.2	F235 E236 H237 F242 F243 F265 A329 C331 C340 R342 Y344 V506	F235-W239 AromaticContact CD1-CD1 3.98Å; F235-W239 AromaticContact CD1-NE1 3.97Å; F235-W239 AromaticContact CE1-CD1 3.71Å; F235-W239 AromaticContact CE1-NE1 3.24Å; F235-W239 AromaticContact CZ-NE1 3.4Å; F235-W239 PolarHBondContact O-N 3.45Å; E236-W239 PolarHBondContact O-N 3.05Å; H237-W239 VanDerWaalsContact C-N 3.32Å; H237-W239 PolarHBondContact O-N 2.96Å; W239-F242 HydrophobicContact CE3-CD1 4.18Å; W239-F242 HydrophobicContact CZ3-CD1 4.35Å; W239-F242 HydrophobicContact CZ3-CE1 4.48Å; W239-F242 WeakPolarHBondContact O-CB 3.5Å; W239-F242 PolarHBondContact O-N 3.46Å; W239-F243 HydrophobicContact CB-CE2 4.29Å; W239-F243 HydrophobicContact CE3-CZ 4.32Å; W239-F243 WeakPolarHBondContact O-CD2 3.39Å; W239-F243 WeakPolarHBondContact O-CG 3.34Å; W239-F243 PolarHBondContact O-N 3.25Å; W239-F265 HydrophobicContact CD2-CE1 4.2Å; W239-F265 AromaticContact CD2-CZ 3.84Å; W239-F265 HydrophobicContact CD2-CZ 3.84Å; W239-F265 HydrophobicContact CE3-CE1 4.38Å; W239-F265 AromaticContact CE3-CZ 3.63Å; W239-F265 HydrophobicContact CE3-CZ 3.63Å; W239-F265 HydrophobicContact CG-CE1 4.47Å; W239-F265 HydrophobicContact CH2-CE2 4.25Å; W239-F265 HydrophobicContact CH2-CZ 4Å; W239-F265 HydrophobicContact CZ2-CZ 4.2Å; W239-F265 HydrophobicContact CZ3-CE2 4.18Å; W239-F265 AromaticContact CZ3-CZ 3.7Å; W239-F265 HydrophobicContact CZ3-CZ 3.7Å; W239-A329 HydrophobicContact CH2-CB 4.46Å; W239-C331 HydrophobicContact CH2-CB 4.35Å; W239-C331 HydrophobicContact CZ2-CB 3.44Å; W239-C331 VanDerWaalsContact CZ2-CB 3.44Å; W239-C340 WeakPolarHBondContact CZ2-O 3.13Å; W239-C340 WeakPolarHBondContact CZ2-SG 3.37Å; W239-R342 HydrophobicContact CH2-CB 4.13Å; W239-R342 HydrophobicContact CH2-CG 3.79Å; W239-R342 HydrophobicContact CZ2-CG 4.41Å; W239-R342 HydrophobicContact CZ3-CB 4.33Å; W239-R342 HydrophobicContact CZ3-CG 4.12Å; W239-Y344 AromaticContact CZ3-CE2 3.86Å; W239-Y344 HydrophobicContact CZ3-CE2 3.86Å; W239-V506 HydrophobicContact CB-CG1 4.33Å; W239-V506 HydrophobicContact CD2-CG1 3.47Å; W239-V506 VanDerWaalsContact CD2-CG1 3.47Å; W239-V506 HydrophobicContact CD2-CG2 4.38Å; W239-V506 HydrophobicContact CE3-CG1 3.8Å; W239-V506 HydrophobicContact CG-CB 4.49Å; W239-V506 HydrophobicContact CG-CG1 3.71Å; W239-V506 HydrophobicContact CG-CG2 3.91Å; W239-V506 HydrophobicContact CZ2-CG1 4.35Å; W239-V506 HydrophobicContact CZ3-CG1 4.38Å
240	T	91.4	Very high	86.9	Confident	88 Å²	88	47.4 Å²	47.4	54%	0.54	27%	0.266	S	S	.	.	H	α-helix	trans	-63.1	-46.8	175.7	-53.2	0	0	0	0	110.9	E236 H237 Q238 F242 F243 A244	E236-T240 PolarHBondContact O-N 2.91Å; E236-T240 PolarHBondContact O-OG1 2.7Å; H237-T240 WeakPolarHBondContact O-CB 3.37Å; H237-T240 PolarHBondContact O-N 3.29Å; H237-T240 VanDerWaalsContact O-N 3.12Å; Q238-T240 VanDerWaalsContact C-N 3.33Å; T240-F242 VanDerWaalsContact C-N 3.33Å; T240-F242 PolarHBondContact O-N 3.45Å; T240-F243 PolarHBondContact O-N 3.42Å; T240-A244 PolarHBondContact O-N 3.13Å; T240-A244 VanDerWaalsContact O-N 3.09Å
241	S	92.1	Very high	86.1	Confident	35 Å²	35	46.6 Å²	46.6	25%	0.245	27%	0.266	C	S	.	.	H	α-helix	trans	-63.4	-38	175.1	-60.2	0	0	0	0	112.2	H237 Q238 A244	H237-S241 PolarHBondContact O-N 2.75Å; H237-S241 PolarHBondContact O-OG 2.95Å; Q238-S241 PolarHBondContact O-N 2.85Å; S241-A244 PolarHBondContact O-N 3.11Å
242	F	92.5	Very high	85.6	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60	-47.7	173.2	171.8	-94.7	0	0	0	111.8	Q238 W239 T240 A244 N245 F246 A261 F265 V289 M327 A329 Y344	Q238-F242 WeakPolarHBondContact O-CB 3.36Å; Q238-F242 PolarHBondContact O-N 3.48Å; W239-F242 HydrophobicContact CE3-CD1 4.18Å; W239-F242 HydrophobicContact CZ3-CD1 4.35Å; W239-F242 HydrophobicContact CZ3-CE1 4.48Å; W239-F242 WeakPolarHBondContact O-CB 3.5Å; W239-F242 PolarHBondContact O-N 3.46Å; T240-F242 VanDerWaalsContact C-N 3.33Å; T240-F242 PolarHBondContact O-N 3.45Å; F242-A244 VanDerWaalsContact C-N 3.31Å; F242-A244 PolarHBondContact O-N 3.37Å; F242-N245 WeakPolarHBondContact O-CB 3.46Å; F242-N245 PolarHBondContact O-N 2.91Å; F242-F246 HydrophobicContact CD1-CE2 4.22Å; F242-F246 HydrophobicContact CD2-CE2 4.13Å; F242-F246 HydrophobicContact CE1-CD2 4.36Å; F242-F246 AromaticContact CE1-CE2 3.73Å; F242-F246 HydrophobicContact CE1-CE2 3.73Å; F242-F246 HydrophobicContact CE1-CZ 4.49Å; F242-F246 AromaticContact CE2-CE2 3.63Å; F242-F246 HydrophobicContact CE2-CE2 3.63Å; F242-F246 HydrophobicContact CE2-CZ 4.06Å; F242-F246 HydrophobicContact CG-CE2 4.4Å; F242-F246 HydrophobicContact CZ-CD2 4.45Å; F242-F246 AromaticContact CZ-CE2 3.42Å; F242-F246 HydrophobicContact CZ-CE2 3.42Å; F242-F246 VanDerWaalsContact CZ-CE2 3.42Å; F242-F246 AromaticContact CZ-CZ 3.84Å; F242-F246 HydrophobicContact CZ-CZ 3.84Å; F242-F246 VanDerWaalsContact O-CD2 3.23Å; F242-F246 WeakPolarHBondContact O-CD2 3.38Å; F242-F246 WeakPolarHBondContact O-CE2 3.38Å; F242-A261 VanDerWaalsContact CD2-O 3.24Å; F242-A261 WeakPolarHBondContact CD2-O 3.42Å; F242-F265 HydrophobicContact CB-CE1 3.69Å; F242-F265 HydrophobicContact CB-CE2 4.35Å; F242-F265 HydrophobicContact CB-CZ 3.53Å; F242-F265 HydrophobicContact CD1-CZ 4.1Å; F242-F265 HydrophobicContact CD2-CD2 4.3Å; F242-F265 HydrophobicContact CD2-CE1 4.39Å; F242-F265 AromaticContact CD2-CE2 3.58Å; F242-F265 HydrophobicContact CD2-CE2 3.58Å; F242-F265 AromaticContact CD2-CZ 3.64Å; F242-F265 HydrophobicContact CD2-CZ 3.64Å; F242-F265 AromaticContact CE2-CE2 3.97Å; F242-F265 HydrophobicContact CE2-CE2 3.97Å; F242-F265 HydrophobicContact CE2-CZ 4.37Å; F242-F265 HydrophobicContact CG-CE1 4.16Å; F242-F265 AromaticContact CG-CE2 3.92Å; F242-F265 HydrophobicContact CG-CE2 3.92Å; F242-F265 AromaticContact CG-CZ 3.47Å; F242-F265 HydrophobicContact CG-CZ 3.47Å; F242-F265 VanDerWaalsContact CG-CZ 3.47Å; F242-V289 HydrophobicContact CE2-CG1 4.48Å; F242-V289 HydrophobicContact CE2-CG2 3.93Å; F242-M327 HydrophobicContact CE1-CE 4.44Å; F242-M327 HydrophobicContact CZ-CE 4.19Å; F242-M327 HydrophobicContact CZ-SD 3.79Å; F242-A329 HydrophobicContact CE2-CB 4.38Å; F242-A329 HydrophobicContact CZ-CB 4Å; F242-Y344 HydrophobicContact CE1-CD2 4.03Å; F242-Y344 AromaticContact CE1-CE2 3.83Å; F242-Y344 HydrophobicContact CE1-CE2 3.83Å
243	F	90.9	Very high	85.3	Confident	13 Å²	13	50.3 Å²	50.3	6%	0.057	28%	0.28	C	S	.	.	H	α-helix	trans	-64.8	-35	178.8	-65.7	-51.1	0	0	0	113	W239 T240 N245 F246 D247 Y344 P507 C510 W512	W239-F243 HydrophobicContact CB-CE2 4.29Å; W239-F243 HydrophobicContact CE3-CZ 4.32Å; W239-F243 WeakPolarHBondContact O-CD2 3.39Å; W239-F243 WeakPolarHBondContact O-CG 3.34Å; W239-F243 PolarHBondContact O-N 3.25Å; T240-F243 PolarHBondContact O-N 3.42Å; F243-N245 PolarHBondContact O-N 2.96Å; F243-F246 PolarHBondContact O-N 3.44Å; F243-D247 PolarHBondContact O-N 3.04Å; F243-Y344 HydrophobicContact CE1-CD2 4.38Å; F243-Y344 HydrophobicContact CE1-CE1 4.35Å; F243-Y344 AromaticContact CE1-CE2 3.64Å; F243-Y344 HydrophobicContact CE1-CE2 3.64Å; F243-Y344 AromaticContact CE1-CZ 3.62Å; F243-Y344 HydrophobicContact CZ-CE2 4.19Å; F243-Y344 AromaticContact CZ-CZ 3.78Å; F243-Y344 VanDerWaalsContact CZ-OH 3.29Å; F243-Y344 WeakPolarHBondContact CZ-OH 3.17Å; F243-P507 HydrophobicContact CE2-CG 3.97Å; F243-P507 HydrophobicContact CZ-CB 4.26Å; F243-P507 HydrophobicContact CZ-CG 4.05Å; F243-C510 HydrophobicContact CE1-CB 4.32Å; F243-W512 HydrophobicContact CD1-CH2 4Å; F243-W512 AromaticContact CD1-CZ2 3.8Å; F243-W512 HydrophobicContact CD1-CZ2 3.8Å; F243-W512 HydrophobicContact CE1-CH2 4.24Å; F243-W512 HydrophobicContact CE1-CZ2 4.42Å
244	A	89.4	Confident	85.1	Confident	56 Å²	56	49.7 Å²	49.7	46%	0.463	27%	0.274	S	S	.	.	H	α-helix	trans	-59.5	-28.2	178.1	0	0	0	0	0	113.2	T240 S241 F242 F246 D247	T240-A244 PolarHBondContact O-N 3.13Å; T240-A244 VanDerWaalsContact O-N 3.09Å; S241-A244 PolarHBondContact O-N 3.11Å; F242-A244 VanDerWaalsContact C-N 3.31Å; F242-A244 PolarHBondContact O-N 3.37Å; A244-F246 PolarHBondContact O-N 3.43Å; A244-D247 PolarHBondContact O-N 3.01Å
245	N	87.1	Confident	85	Confident	51 Å²	51	52 Å²	52	27%	0.273	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.5	174.8	-69.5	-24.7	0	0	0	113	F242 F243 Q260 A261	F242-N245 WeakPolarHBondContact O-CB 3.46Å; F242-N245 PolarHBondContact O-N 2.91Å; F243-N245 PolarHBondContact O-N 2.96Å; N245-Q260 PolarHBondContact ND2-O 3.13Å; N245-A261 PolarHBondContact ND2-O 3Å
246	F	86.1	Confident	84.9	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.009	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-16.7	-176.7	-59.6	-89.5	0	0	0	113.3	F242 F243 A244 T248 L253 L256 A261 M327 F346 W512	F242-F246 HydrophobicContact CD1-CE2 4.22Å; F242-F246 HydrophobicContact CD2-CE2 4.13Å; F242-F246 HydrophobicContact CE1-CD2 4.36Å; F242-F246 AromaticContact CE1-CE2 3.73Å; F242-F246 HydrophobicContact CE1-CE2 3.73Å; F242-F246 HydrophobicContact CE1-CZ 4.49Å; F242-F246 AromaticContact CE2-CE2 3.63Å; F242-F246 HydrophobicContact CE2-CE2 3.63Å; F242-F246 HydrophobicContact CE2-CZ 4.06Å; F242-F246 HydrophobicContact CG-CE2 4.4Å; F242-F246 HydrophobicContact CZ-CD2 4.45Å; F242-F246 AromaticContact CZ-CE2 3.42Å; F242-F246 HydrophobicContact CZ-CE2 3.42Å; F242-F246 VanDerWaalsContact CZ-CE2 3.42Å; F242-F246 AromaticContact CZ-CZ 3.84Å; F242-F246 HydrophobicContact CZ-CZ 3.84Å; F242-F246 VanDerWaalsContact O-CD2 3.23Å; F242-F246 WeakPolarHBondContact O-CD2 3.38Å; F242-F246 WeakPolarHBondContact O-CE2 3.38Å; F243-F246 PolarHBondContact O-N 3.44Å; A244-F246 PolarHBondContact O-N 3.43Å; F246-T248 PolarHBondContact O-N 2.93Å; F246-L253 HydrophobicContact CB-CD1 4.08Å; F246-L253 HydrophobicContact CD1-CD1 3.67Å; F246-L253 HydrophobicContact CG-CD1 4.34Å; F246-L256 HydrophobicContact CD1-CD2 3.61Å; F246-L256 HydrophobicContact CE1-CD2 3.34Å; F246-L256 HydrophobicContact CE2-CD2 4.45Å; F246-L256 HydrophobicContact CG-CD2 4.3Å; F246-L256 HydrophobicContact CZ-CD2 3.82Å; F246-A261 HydrophobicContact CE1-CB 4.44Å; F246-A261 HydrophobicContact CE2-CB 4.31Å; F246-A261 HydrophobicContact CZ-CB 3.67Å; F246-M327 HydrophobicContact CD1-CE 4.02Å; F246-M327 HydrophobicContact CD2-CE 4.39Å; F246-M327 HydrophobicContact CE1-CE 3.54Å; F246-M327 HydrophobicContact CE1-SD 3.88Å; F246-M327 HydrophobicContact CE2-CE 3.97Å; F246-M327 HydrophobicContact CE2-SD 4.31Å; F246-M327 HydrophobicContact CG-CE 4.42Å; F246-M327 HydrophobicContact CZ-CE 3.51Å; F246-M327 HydrophobicContact CZ-SD 3.53Å; F246-M327 VanDerWaalsContact CZ-SD 3.53Å; F246-F346 AromaticContact CD1-CE1 3.9Å; F246-F346 HydrophobicContact CD1-CE1 3.9Å; F246-F346 HydrophobicContact CD1-CZ 4.43Å; F246-F346 AromaticContact CE1-CE1 3.77Å; F246-F346 HydrophobicContact CE1-CE1 3.77Å; F246-F346 AromaticContact CE1-CZ 3.82Å; F246-F346 HydrophobicContact CE1-CZ 3.82Å; F246-W512 HydrophobicContact CB-CD2 3.94Å; F246-W512 VanDerWaalsContact CB-CE2 3.4Å; F246-W512 HydrophobicContact CB-CG 4.2Å; F246-W512 HydrophobicContact CB-CZ2 3.75Å; F246-W512 VanDerWaalsContact CB-NE1 3.35Å; F246-W512 HydrophobicContact CD2-CH2 4.41Å; F246-W512 HydrophobicContact CD2-CZ2 4.18Å; F246-W512 HydrophobicContact CG-CD2 4.45Å; F246-W512 HydrophobicContact CG-CH2 4.4Å; F246-W512 HydrophobicContact CG-CZ2 4.04Å
247	D	81.8	Confident	84.9	Confident	82 Å²	82	52 Å²	52	44%	0.439	28%	0.28	S	S	.	.	S	Bend	trans	-81.6	50.6	176	-64.5	-22.1	0	0	0	110.6	F243 A244 W512 R575	F243-D247 PolarHBondContact O-N 3.04Å; A244-D247 PolarHBondContact O-N 3.01Å; D247-W512 PolarHBondContact OD1-NE1 3.49Å; D247-R575 IonicContact OD1-CZ 3.46Å; D247-R575 IonicContact OD1-NE 2.61Å; D247-R575 PolarHBondContact OD1-NE 3.4Å; D247-R575 IonicContact OD1-NH2 3.54Å; D247-R575 IonicContact OD2-CZ 3.69Å; D247-R575 IonicContact OD2-NE 3.79Å; D247-R575 PolarHBondContact OD2-NE 2.94Å; D247-R575 IonicContact OD2-NH2 2.65Å; D247-R575 PolarHBondContact OD2-NH2 2.88Å
248	T	76.1	Confident	84.8	Confident	72 Å²	72	47 Å²	47	44%	0.442	26%	0.256	S	S	.	.	S	Bend	trans	-121.2	170.8	179.6	58.2	0	0	0	0	111	F246	F246-T248 PolarHBondContact O-N 2.93Å
249	E	69.1	Low	84.6	Confident	139 Å²	139	46 Å²	46	65%	0.65	25%	0.253	S	S	*	.			trans	-65.4	145.4	178.8	-56.7	179.4	169.1	0	0	111.8	P251 F252 L253	E249-P251 VanDerWaalsContact O-N 3.16Å; E249-F252 HydrophobicContact CB-CD2 3.94Å; E249-F252 HydrophobicContact CB-CE2 4.28Å; E249-F252 WeakPolarHBondContact O-CB 3.47Å; E249-F252 PolarHBondContact O-N 3.47Å; E249-L253 PolarHBondContact O-N 3.25Å
250	I	65.8	Low	84.4	Confident	38 Å²	38	50.9 Å²	50.9	20%	0.195	28%	0.276	C	S	.	.	H	α-helix	trans	-50.4	-40.6	-171.1	-55.5	156.2	0	0	0	114.9	F252 L253 L254 V514 V519	I250-F252 PolarHBondContact O-N 3Å; I250-L253 WeakPolarHBondContact O-CB 3.45Å; I250-L253 PolarHBondContact O-N 3.01Å; I250-L254 PolarHBondContact O-N 3.37Å; I250-V514 WeakPolarHBondContact CG2-O 3.44Å; I250-V519 HydrophobicContact CD1-CB 3.91Å; I250-V519 HydrophobicContact CD1-CG1 3.92Å; I250-V519 HydrophobicContact CD1-CG2 3.51Å; I250-V519 HydrophobicContact CG1-CG2 4.31Å
251	P	67.6	Low	84.3	Confident	82 Å²	82	46.7 Å²	46.7	53%	0.532	25%	0.25	S	S	.	.	H	α-helix	trans	-61.2	-32.5	178.4	-21.9	33.8	0	0	0	112.8	E249	E249-P251 VanDerWaalsContact O-N 3.16Å
252	F	77.3	Confident	84.2	Confident	131 Å²	131	45.5 Å²	45.5	58%	0.575	24%	0.244	S	C	*	.	H	α-helix	trans	-79.9	-31.1	179.5	-57.9	-76.7	0	0	0	111.9	E249 I250 L254 E255 L256	E249-F252 HydrophobicContact CB-CD2 3.94Å; E249-F252 HydrophobicContact CB-CE2 4.28Å; E249-F252 WeakPolarHBondContact O-CB 3.47Å; E249-F252 PolarHBondContact O-N 3.47Å; I250-F252 PolarHBondContact O-N 3Å; F252-L254 VanDerWaalsContact C-N 3.3Å; F252-L254 PolarHBondContact O-N 3.34Å; F252-E255 PolarHBondContact O-N 2.6Å; F252-L256 PolarHBondContact O-N 2.99Å
253	L	83.7	Confident	84.1	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-60.3	-39.1	175.8	-173.5	65	0	0	0	112.2	F246 E249 I250 E255 L256 V314 W512 V514	F246-L253 HydrophobicContact CB-CD1 4.08Å; F246-L253 HydrophobicContact CD1-CD1 3.67Å; F246-L253 HydrophobicContact CG-CD1 4.34Å; E249-L253 PolarHBondContact O-N 3.25Å; I250-L253 WeakPolarHBondContact O-CB 3.45Å; I250-L253 PolarHBondContact O-N 3.01Å; L253-E255 VanDerWaalsContact C-N 3.33Å; L253-L256 WeakPolarHBondContact O-CB 3.45Å; L253-L256 PolarHBondContact O-N 2.77Å; L253-V314 WeakPolarHBondContact O-CB 3.45Å; L253-V314 WeakPolarHBondContact O-CG2 3.42Å; L253-W512 HydrophobicContact CD2-CB 4.07Å; L253-V514 HydrophobicContact CD2-CB 4.28Å; L253-V514 HydrophobicContact CD2-CG1 4.22Å; L253-V514 HydrophobicContact CD2-CG2 3.68Å
254	L	84.6	Confident	84.1	Confident	49 Å²	49	49.1 Å²	49.1	26%	0.257	26%	0.262	S	S	.	.	H	α-helix	trans	-70.2	-27.9	179.2	-78.2	175.1	0	0	0	113.9	I250 F252 L256 V314 R315 F323 V514	I250-L254 PolarHBondContact O-N 3.37Å; F252-L254 VanDerWaalsContact C-N 3.3Å; F252-L254 PolarHBondContact O-N 3.34Å; L254-L256 VanDerWaalsContact C-N 3.34Å; L254-V314 HydrophobicContact CD2-CG1 4.3Å; L254-R315 HydrophobicContact CB-CB 4.28Å; L254-R315 HydrophobicContact CD2-CB 4.14Å; L254-R315 WeakPolarHBondContact O-CB 3.37Å; L254-R315 PolarHBondContact O-N 3.45Å; L254-R315 VanDerWaalsContact O-N 3.09Å; L254-F323 HydrophobicContact CD2-CB 4.37Å; L254-V514 HydrophobicContact CD2-CG1 3.4Å; L254-V514 HydrophobicContact CG-CG1 3.94Å
255	E	87.9	Confident	84.2	Confident	85 Å²	85	46.6 Å²	46.6	40%	0.397	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	1.6	177.8	-61.8	-59.5	141.1	0	0	112.9	F252 L253 S257 L313 R315	F252-E255 PolarHBondContact O-N 2.6Å; L253-E255 VanDerWaalsContact C-N 3.33Å; E255-S257 PolarHBondContact O-N 2.74Å; E255-L313 WeakPolarHBondContact O-CD2 3.43Å; E255-R315 VanDerWaalsContact CD-CZ 3.44Å; E255-R315 VanDerWaalsContact CD-NH1 3.27Å; E255-R315 WeakPolarHBondContact OE1-CD 3.39Å; E255-R315 IonicContact OE1-CZ 2.88Å; E255-R315 IonicContact OE1-NE 2.89Å; E255-R315 IonicContact OE1-NH1 2.73Å; E255-R315 PolarHBondContact OE1-NH1 2.96Å; E255-R315 IonicContact OE1-NH2 2.71Å; E255-R315 IonicContact OE2-CZ 3.96Å; E255-R315 IonicContact OE2-NE 3.01Å; E255-R315 IonicContact OE2-NH1 3.61Å; E255-R315 PolarHBondContact OE2-NH1 3.44Å; E255-R315 VanDerWaalsContact OE2-NH1 3.13Å; E255-R315 IonicContact OE2-NH2 2.7Å; E255-R315 PolarHBondContact OE2-NH2 3.37Å
256	L	89.3	Confident	84.2	Confident	19 Å²	19	48.1 Å²	48.1	10%	0.099	24%	0.242	C	C	.	.			trans	-71.4	127.9	178.7	-167.6	68.9	0	0	0	110.4	F246 F252 L253 L254 Q260 A261 L313 V314	F246-L256 HydrophobicContact CD1-CD2 3.61Å; F246-L256 HydrophobicContact CE1-CD2 3.34Å; F246-L256 HydrophobicContact CE2-CD2 4.45Å; F246-L256 HydrophobicContact CG-CD2 4.3Å; F246-L256 HydrophobicContact CZ-CD2 3.82Å; F252-L256 PolarHBondContact O-N 2.99Å; L253-L256 WeakPolarHBondContact O-CB 3.45Å; L253-L256 PolarHBondContact O-N 2.77Å; L254-L256 VanDerWaalsContact C-N 3.34Å; L256-Q260 HydrophobicContact CD1-CB 3.76Å; L256-A261 HydrophobicContact CD2-CB 4.02Å; L256-A261 HydrophobicContact CG-CB 4.27Å; L256-L313 WeakPolarHBondContact O-CA 3.49Å; L256-V314 HydrophobicContact CB-CG2 4.27Å; L256-V314 PolarHBondContact O-N 3Å; L256-V314 VanDerWaalsContact O-N 3.09Å
257	S	91.1	Very high	84.3	Confident	4 Å²	4	49.5 Å²	49.5	3%	0.028	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-91.9	159.3	174.8	62.7	0	0	0	0	112.7	E255 S259 Q260 A261 H312	E255-S257 PolarHBondContact O-N 2.74Å; S257-S259 PolarHBondContact O-N 2.84Å; S257-Q260 PolarHBondContact O-N 3.48Å; S257-Q260 WeakPolarHBondContact OG-CB 3.37Å; S257-Q260 VanDerWaalsContact OG-CD 3.29Å; S257-Q260 VanDerWaalsContact OG-CG 3.28Å; S257-Q260 WeakPolarHBondContact OG-CG 3.23Å; S257-Q260 PolarHBondContact OG-N 2.78Å; S257-Q260 PolarHBondContact OG-OE1 3.44Å; S257-A261 WeakPolarHBondContact O-CB 3.31Å; S257-A261 PolarHBondContact O-N 2.9Å; S257-H312 WeakPolarHBondContact CA-O 3.48Å
258	E	90.6	Very high	84.7	Confident	3 Å²	3	47.6 Å²	47.6	1%	0.014	24%	0.239	C	C	.	.	H	α-helix	trans	-56.1	-38.9	171.5	-68.5	177.7	160.1	0	0	112	G262 L290 F291 H294 H312	E258-G262 PolarHBondContact O-N 3.21Å; E258-L290 WeakPolarHBondContact OE1-CA 3.47Å; E258-F291 HydrophobicContact CB-CE2 4.45Å; E258-F291 HydrophobicContact CG-CB 4.32Å; E258-F291 HydrophobicContact CG-CD1 4.15Å; E258-F291 HydrophobicContact CG-CD2 3.54Å; E258-F291 HydrophobicContact CG-CE1 4.4Å; E258-F291 HydrophobicContact CG-CE2 3.81Å; E258-F291 HydrophobicContact CG-CG 3.74Å; E258-F291 HydrophobicContact CG-CZ 4.24Å; E258-F291 PolarHBondContact OE1-N 2.89Å; E258-H294 IonicContact OE1-CE1 2.62Å; E258-H294 IonicContact OE1-CG 3.93Å; E258-H294 IonicContact OE1-ND1 3.09Å; E258-H294 PolarHBondContact OE1-ND1 3Å; E258-H294 IonicContact OE2-CE1 3.13Å; E258-H294 PolarHBondContact OE2-CE1 3.35Å; E258-H294 IonicContact OE2-ND1 3.92Å; E258-H294 PolarHBondContact OE2-ND1 3.41Å; E258-H312 HydrophobicContact CG-CB 3.95Å; E258-H312 PolarHBondContact N-O 2.88Å; E258-H312 VanDerWaalsContact N-O 3.16Å; E258-H312 IonicContact OE2-CG 2.67Å; E258-H312 IonicContact OE2-ND1 3.43Å; E258-H312 PolarHBondContact OE2-ND1 3.29Å
259	S	88.2	Confident	85.2	Confident	10 Å²	10	44.8 Å²	44.8	7%	0.07	22%	0.221	C	C	.	.	H	α-helix	trans	-61.3	-46.4	177	-179.5	0	0	0	0	112.8	S257 E263	S257-S259 PolarHBondContact O-N 2.84Å; S259-E263 PolarHBondContact O-N 2.82Å
260	Q	89.4	Confident	85.9	Confident	105 Å²	105	40 Å²	40	49%	0.491	20%	0.203	S	C	.	.	H	α-helix	trans	-70.1	-44	178.7	-71.7	162.8	-39	0	0	111.5	N245 L256 S257 G262 E263	N245-Q260 PolarHBondContact ND2-O 3.13Å; L256-Q260 HydrophobicContact CD1-CB 3.76Å; S257-Q260 PolarHBondContact O-N 3.48Å; S257-Q260 WeakPolarHBondContact OG-CB 3.37Å; S257-Q260 VanDerWaalsContact OG-CD 3.29Å; S257-Q260 VanDerWaalsContact OG-CG 3.28Å; S257-Q260 WeakPolarHBondContact OG-CG 3.23Å; S257-Q260 PolarHBondContact OG-N 2.78Å; S257-Q260 PolarHBondContact OG-OE1 3.44Å; Q260-G262 VanDerWaalsContact C-N 3.35Å; Q260-G262 PolarHBondContact O-N 2.89Å; Q260-E263 WeakPolarHBondContact O-CB 3.5Å; Q260-E263 PolarHBondContact O-N 2.98Å
261	A	89.5	Confident	86.8	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-42	179.1	0	0	0	0	0	112.4	F242 N245 F246 L256 S257 V289 F291	F242-A261 VanDerWaalsContact CD2-O 3.24Å; F242-A261 WeakPolarHBondContact CD2-O 3.42Å; N245-A261 PolarHBondContact ND2-O 3Å; F246-A261 HydrophobicContact CE1-CB 4.44Å; F246-A261 HydrophobicContact CE2-CB 4.31Å; F246-A261 HydrophobicContact CZ-CB 3.67Å; L256-A261 HydrophobicContact CD2-CB 4.02Å; L256-A261 HydrophobicContact CG-CB 4.27Å; S257-A261 WeakPolarHBondContact O-CB 3.31Å; S257-A261 PolarHBondContact O-N 2.9Å; A261-V289 HydrophobicContact CB-CG1 4.13Å; A261-F291 HydrophobicContact CB-CE1 4.23Å; A261-F291 HydrophobicContact CB-CZ 3.73Å
262	G	89.4	Confident	87.4	Confident	11 Å²	11	41.2 Å²	41.2	11%	0.113	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-1.5	-178.8	0	0	0	0	0	115.7	E258 Q260 F265 R266	E258-G262 PolarHBondContact O-N 3.21Å; Q260-G262 VanDerWaalsContact C-N 3.35Å; Q260-G262 PolarHBondContact O-N 2.89Å; G262-F265 PolarHBondContact O-N 2.82Å; G262-R266 PolarHBondContact O-N 3.09Å
263	E	90.6	Very high	87.4	Confident	80 Å²	80	36.6 Å²	36.6	37%	0.374	19%	0.185	S	C	.	.	H	α-helix	trans	-54.2	-46	-175.4	-168.6	-74.8	156.7	0	0	113.3	S259 Q260 F265 R266 S267	S259-E263 PolarHBondContact O-N 2.82Å; Q260-E263 WeakPolarHBondContact O-CB 3.5Å; Q260-E263 PolarHBondContact O-N 2.98Å; E263-F265 VanDerWaalsContact C-N 3.3Å; E263-F265 PolarHBondContact O-N 3.2Å; E263-R266 PolarHBondContact O-N 3.46Å; E263-R266 VanDerWaalsContact O-N 3.15Å; E263-S267 WeakPolarHBondContact O-CB 3.49Å; E263-S267 PolarHBondContact O-N 2.8Å; E263-S267 PolarHBondContact O-OG 3.25Å; E263-S267 WeakPolarHBondContact OE1-CB 3.45Å; E263-S267 PolarHBondContact OE1-OG 3.1Å
264	P	92	Very high	87	Confident	9 Å²	9	42.9 Å²	42.9	6%	0.058	22%	0.217	C	C	.	.	H	α-helix	trans	-59.5	-41.3	-179.2	-26.5	36	0	0	0	112.6	Q238 Y268	Q238-P264 PolarHBondContact OE1-O 3.38Å; P264-Y268 WeakPolarHBondContact O-CB 3.44Å; P264-Y268 PolarHBondContact O-N 3.24Å; P264-Y268 VanDerWaalsContact O-N 3.11Å
265	F	91.6	Very high	85.9	Confident	3 Å²	3	43.8 Å²	43.8	1%	0.013	23%	0.228	C	C	.	.	H	α-helix	trans	-70.1	-40.7	178.7	-58.9	-21	0	0	0	111.9	Q238 W239 F242 G262 E263 F269 P287 V289 A329 C331	Q238-F265 HydrophobicContact CB-CD1 3.99Å; Q238-F265 HydrophobicContact CB-CE1 4.08Å; W239-F265 HydrophobicContact CD2-CE1 4.2Å; W239-F265 AromaticContact CD2-CZ 3.84Å; W239-F265 HydrophobicContact CD2-CZ 3.84Å; W239-F265 HydrophobicContact CE3-CE1 4.38Å; W239-F265 AromaticContact CE3-CZ 3.63Å; W239-F265 HydrophobicContact CE3-CZ 3.63Å; W239-F265 HydrophobicContact CG-CE1 4.47Å; W239-F265 HydrophobicContact CH2-CE2 4.25Å; W239-F265 HydrophobicContact CH2-CZ 4Å; W239-F265 HydrophobicContact CZ2-CZ 4.2Å; W239-F265 HydrophobicContact CZ3-CE2 4.18Å; W239-F265 AromaticContact CZ3-CZ 3.7Å; W239-F265 HydrophobicContact CZ3-CZ 3.7Å; F242-F265 HydrophobicContact CB-CE1 3.69Å; F242-F265 HydrophobicContact CB-CE2 4.35Å; F242-F265 HydrophobicContact CB-CZ 3.53Å; F242-F265 HydrophobicContact CD1-CZ 4.1Å; F242-F265 HydrophobicContact CD2-CD2 4.3Å; F242-F265 HydrophobicContact CD2-CE1 4.39Å; F242-F265 AromaticContact CD2-CE2 3.58Å; F242-F265 HydrophobicContact CD2-CE2 3.58Å; F242-F265 AromaticContact CD2-CZ 3.64Å; F242-F265 HydrophobicContact CD2-CZ 3.64Å; F242-F265 AromaticContact CE2-CE2 3.97Å; F242-F265 HydrophobicContact CE2-CE2 3.97Å; F242-F265 HydrophobicContact CE2-CZ 4.37Å; F242-F265 HydrophobicContact CG-CE1 4.16Å; F242-F265 AromaticContact CG-CE2 3.92Å; F242-F265 HydrophobicContact CG-CE2 3.92Å; F242-F265 AromaticContact CG-CZ 3.47Å; F242-F265 HydrophobicContact CG-CZ 3.47Å; F242-F265 VanDerWaalsContact CG-CZ 3.47Å; G262-F265 PolarHBondContact O-N 2.82Å; E263-F265 VanDerWaalsContact C-N 3.3Å; E263-F265 PolarHBondContact O-N 3.2Å; F265-F269 WeakPolarHBondContact O-CB 3.48Å; F265-F269 PolarHBondContact O-N 3.31Å; F265-P287 HydrophobicContact CB-CB 3.87Å; F265-V289 HydrophobicContact CD2-CG2 4.16Å; F265-V289 HydrophobicContact CE2-CG2 4.4Å; F265-A329 HydrophobicContact CE2-CB 4.28Å; F265-C331 HydrophobicContact CD1-CB 3.87Å; F265-C331 WeakPolarHBondContact CD1-SG 3.41Å; F265-C331 HydrophobicContact CD2-CB 4.21Å; F265-C331 HydrophobicContact CE1-CB 3.8Å; F265-C331 HydrophobicContact CE2-CB 4.16Å; F265-C331 HydrophobicContact CG-CB 4.08Å; F265-C331 HydrophobicContact CZ-CB 3.95Å
266	R	86.6	Confident	84.4	Confident	83 Å²	83	40.7 Å²	40.7	31%	0.313	22%	0.216	S	C	.	.	H	α-helix	trans	-64.9	-53.8	179.8	-177	-177.3	63.5	-176.7	-6	110.6	G262 E263 Y268 F269 S270 F305	G262-R266 PolarHBondContact O-N 3.09Å; E263-R266 PolarHBondContact O-N 3.46Å; E263-R266 VanDerWaalsContact O-N 3.15Å; R266-Y268 VanDerWaalsContact C-N 3.34Å; R266-Y268 PolarHBondContact O-N 3.22Å; R266-F269 PolarHBondContact O-N 3.02Å; R266-S270 VanDerWaalsContact O-CB 3.32Å; R266-S270 WeakPolarHBondContact O-CB 3.42Å; R266-S270 PolarHBondContact O-N 2.83Å; R266-S270 PolarHBondContact O-OG 2.89Å; R266-S270 VanDerWaalsContact O-OG 3.06Å; R266-F305 HydrophobicContact CG-CE2 4.36Å
267	S	88.8	Confident	82.7	Confident	30 Å²	30	45.4 Å²	45.4	21%	0.21	24%	0.237	C	C	.	.	H	α-helix	trans	-62.1	-43.8	-177.7	-66.7	0	0	0	0	111	E263 F269 S270 H271	E263-S267 WeakPolarHBondContact O-CB 3.49Å; E263-S267 PolarHBondContact O-N 2.8Å; E263-S267 PolarHBondContact O-OG 3.25Å; E263-S267 WeakPolarHBondContact OE1-CB 3.45Å; E263-S267 PolarHBondContact OE1-OG 3.1Å; S267-F269 PolarHBondContact O-N 2.74Å; S267-S270 PolarHBondContact O-N 3.19Å; S267-H271 VanDerWaalsContact O-CB 3.3Å; S267-H271 WeakPolarHBondContact O-CB 3.41Å; S267-H271 PolarHBondContact O-CD2 2.97Å; S267-H271 PolarHBondContact O-N 2.9Å
268	Y	89	Confident	81.1	Confident	42 Å²	42	46.7 Å²	46.7	17%	0.165	24%	0.243	C	C	.	.	H	α-helix	trans	-55.1	-49.6	173.5	174.5	-121.9	0	0	0	112.6	Q238 P264 R266 G272 P334	Q238-Y268 HydrophobicContact CG-CD1 3.64Å; Q238-Y268 HydrophobicContact CG-CD2 4.04Å; Q238-Y268 HydrophobicContact CG-CE1 4.09Å; Q238-Y268 HydrophobicContact CG-CE2 4.48Å; Q238-Y268 HydrophobicContact CG-CG 3.59Å; P264-Y268 WeakPolarHBondContact O-CB 3.44Å; P264-Y268 PolarHBondContact O-N 3.24Å; P264-Y268 VanDerWaalsContact O-N 3.11Å; R266-Y268 VanDerWaalsContact C-N 3.34Å; R266-Y268 PolarHBondContact O-N 3.22Å; Y268-G272 PolarHBondContact O-N 3.04Å; Y268-G272 VanDerWaalsContact O-N 3.11Å; Y268-P334 VanDerWaalsContact CE1-CD 3.48Å; Y268-P334 HydrophobicContact CE1-CG 4.48Å
269	F	87.1	Confident	78.9	Confident	14 Å²	14	52.9 Å²	52.9	6%	0.061	28%	0.281	C	S	.	.	H	α-helix	trans	-70.2	-46.7	-179.2	-170.8	-87.6	0	0	0	112	F265 R266 S267 H271 G272 M273 R285 P287 F305 V332 P334	F265-F269 WeakPolarHBondContact O-CB 3.48Å; F265-F269 PolarHBondContact O-N 3.31Å; R266-F269 PolarHBondContact O-N 3.02Å; S267-F269 PolarHBondContact O-N 2.74Å; F269-H271 PolarHBondContact O-N 3.22Å; F269-G272 PolarHBondContact O-N 2.89Å; F269-M273 HydrophobicContact CD1-CG 3.74Å; F269-M273 HydrophobicContact CE1-CG 3.55Å; F269-M273 HydrophobicContact CE1-SD 4.3Å; F269-M273 HydrophobicContact CG-CG 4.4Å; F269-M273 HydrophobicContact CZ-CG 4Å; F269-M273 HydrophobicContact CZ-SD 4.18Å; F269-M273 WeakPolarHBondContact O-CB 3.48Å; F269-M273 VanDerWaalsContact O-CG 3.23Å; F269-M273 WeakPolarHBondContact O-CG 3.48Å; F269-M273 PolarHBondContact O-N 2.98Å; F269-R285 WeakPolarHBondContact CZ-O 3.3Å; F269-P287 HydrophobicContact CB-CG 3.76Å; F269-P287 HydrophobicContact CD1-CG 4.32Å; F269-P287 HydrophobicContact CD2-CG 4.33Å; F269-P287 HydrophobicContact CG-CG 3.9Å; F269-F305 HydrophobicContact CB-CE2 4.09Å; F269-F305 HydrophobicContact CD1-CD2 4.06Å; F269-F305 HydrophobicContact CD1-CE1 4.19Å; F269-F305 AromaticContact CD1-CE2 3.29Å; F269-F305 HydrophobicContact CD1-CE2 3.29Å; F269-F305 AromaticContact CD1-CZ 3.37Å; F269-F305 HydrophobicContact CD1-CZ 3.37Å; F269-F305 HydrophobicContact CE1-CD2 4.4Å; F269-F305 HydrophobicContact CE1-CE1 4.4Å; F269-F305 AromaticContact CE1-CE2 4Å; F269-F305 HydrophobicContact CE1-CE2 4Å; F269-F305 AromaticContact CE1-CZ 3.99Å; F269-F305 HydrophobicContact CE1-CZ 3.99Å; F269-F305 HydrophobicContact CG-CE2 4.02Å; F269-F305 HydrophobicContact CG-CZ 4.38Å; F269-V332 HydrophobicContact CD2-CB 4.08Å; F269-V332 HydrophobicContact CD2-CG1 4.23Å; F269-V332 HydrophobicContact CE2-CB 4.1Å; F269-V332 HydrophobicContact CE2-CG1 3.81Å; F269-P334 HydrophobicContact CD2-CB 4.01Å; F269-P334 HydrophobicContact CE2-CB 4.43Å; F269-P334 HydrophobicContact CG-CB 4.38Å
270	S	84.9	Confident	77.1	Confident	39 Å²	39	58.5 Å²	58.5	27%	0.273	31%	0.306	S	S	.	.	H	α-helix	trans	-57.2	-49.2	177.8	-66.2	0	0	0	0	112	R266 S267 G272 M273 I274 F305	R266-S270 VanDerWaalsContact O-CB 3.32Å; R266-S270 WeakPolarHBondContact O-CB 3.42Å; R266-S270 PolarHBondContact O-N 2.83Å; R266-S270 PolarHBondContact O-OG 2.89Å; R266-S270 VanDerWaalsContact O-OG 3.06Å; S267-S270 PolarHBondContact O-N 3.19Å; S270-G272 PolarHBondContact O-N 2.87Å; S270-M273 PolarHBondContact O-N 3.08Å; S270-I274 VanDerWaalsContact O-CG1 3.31Å; S270-I274 WeakPolarHBondContact O-CG1 3.43Å; S270-I274 PolarHBondContact O-N 2.94Å; S270-F305 WeakPolarHBondContact OG-CZ 3.11Å
271	H	84.6	Confident	75.5	Confident	129 Å²	129	58.6 Å²	58.6	60%	0.597	31%	0.31	S	S	*	.	H	α-helix	trans	-64.3	-39.9	178.5	-77	-66	0	0	0	112.3	S267 F269 M273 I274	S267-H271 VanDerWaalsContact O-CB 3.3Å; S267-H271 WeakPolarHBondContact O-CB 3.41Å; S267-H271 PolarHBondContact O-CD2 2.97Å; S267-H271 PolarHBondContact O-N 2.9Å; F269-H271 PolarHBondContact O-N 3.22Å; H271-M273 VanDerWaalsContact C-N 3.32Å; H271-M273 PolarHBondContact O-N 2.9Å; H271-I274 PolarHBondContact O-N 2.97Å
272	G	79.7	Confident	74.1	Confident	16 Å²	16	60.4 Å²	60.4	17%	0.165	32%	0.323	C	S	.	.	H	α-helix	trans	-63.4	-38.3	174.2	0	0	0	0	0	112.7	Y268 F269 S270 S275 K335	Y268-G272 PolarHBondContact O-N 3.04Å; Y268-G272 VanDerWaalsContact O-N 3.11Å; F269-G272 PolarHBondContact O-N 2.89Å; S270-G272 PolarHBondContact O-N 2.87Å; G272-S275 PolarHBondContact O-OG 3.49Å; G272-S275 VanDerWaalsContact O-OG 3.07Å; G272-K335 WeakPolarHBondContact O-CE 3.39Å
273	M	77.9	Confident	72.7	Confident	33 Å²	33	63.3 Å²	63.3	16%	0.163	34%	0.34	C	S	.	.	H	α-helix	trans	-74.9	-28.7	180	-69.4	-59.2	-65.5	0	0	113.6	F269 S270 H271 S275 S276 I278 P334	F269-M273 HydrophobicContact CD1-CG 3.74Å; F269-M273 HydrophobicContact CE1-CG 3.55Å; F269-M273 HydrophobicContact CE1-SD 4.3Å; F269-M273 HydrophobicContact CG-CG 4.4Å; F269-M273 HydrophobicContact CZ-CG 4Å; F269-M273 HydrophobicContact CZ-SD 4.18Å; F269-M273 WeakPolarHBondContact O-CB 3.48Å; F269-M273 VanDerWaalsContact O-CG 3.23Å; F269-M273 WeakPolarHBondContact O-CG 3.48Å; F269-M273 PolarHBondContact O-N 2.98Å; S270-M273 PolarHBondContact O-N 3.08Å; H271-M273 VanDerWaalsContact C-N 3.32Å; H271-M273 PolarHBondContact O-N 2.9Å; M273-S275 PolarHBondContact O-N 2.89Å; M273-S276 WeakPolarHBondContact CA-OG 3.28Å; M273-S276 VanDerWaalsContact CE-OG 3.3Å; M273-S276 WeakPolarHBondContact CE-OG 3.41Å; M273-S276 PolarHBondContact O-N 2.91Å; M273-S276 PolarHBondContact O-OG 3.49Å; M273-S276 PolarHBondContact SD-OG 3.27Å; M273-I278 HydrophobicContact CE-CB 4.2Å; M273-P334 HydrophobicContact CG-CB 4.21Å; M273-P334 HydrophobicContact SD-CB 4.27Å
274	I	74.7	Confident	71.3	Confident	136 Å²	136	63.5 Å²	63.5	70%	0.697	34%	0.343	S	S	*	.	H	α-helix	trans	-54.7	-35.5	175.7	-74.9	160.5	0	0	0	111.6	S270 H271	S270-I274 VanDerWaalsContact O-CG1 3.31Å; S270-I274 WeakPolarHBondContact O-CG1 3.43Å; S270-I274 PolarHBondContact O-N 2.94Å; H271-I274 PolarHBondContact O-N 2.97Å
275	S	61.4	Low	70.7	Confident	69 Å²	69	64 Å²	64	48%	0.483	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	11.2	179.3	63	0	0	0	0	113.3	G272 M273 K335	G272-S275 PolarHBondContact O-OG 3.49Å; G272-S275 VanDerWaalsContact O-OG 3.07Å; M273-S275 PolarHBondContact O-N 2.89Å; S275-K335 PolarHBondContact O-NZ 3.26Å; S275-K335 WeakPolarHBondContact OG-CE 3.37Å; S275-K335 PolarHBondContact OG-NZ 3.46Å
276	S	56.2	Low	70.4	Confident	20 Å²	20	64.9 Å²	64.9	14%	0.14	35%	0.348	C	S	.	.			trans	-112.8	130.7	-178.9	80	0	0	0	0	110.2	M273 I278	M273-S276 WeakPolarHBondContact CA-OG 3.28Å; M273-S276 VanDerWaalsContact CE-OG 3.3Å; M273-S276 WeakPolarHBondContact CE-OG 3.41Å; M273-S276 PolarHBondContact O-N 2.91Å; M273-S276 PolarHBondContact O-OG 3.49Å; M273-S276 PolarHBondContact SD-OG 3.27Å; S276-I278 PolarHBondContact O-N 2.71Å
277	H	54.4	Low	70.5	Confident	117 Å²	117	61.3 Å²	61.3	54%	0.542	34%	0.336	S	S	.	.			trans	-83.8	21.1	171.2	-62.3	-72.7	0	0	0	112.1	G169 H170 T279	G169-H277 WeakPolarHBondContact O-CB 3.5Å; H170-H277 AromaticContact CE1-CD2 3.09Å; H170-H277 PolarHBondContact CE1-CD2 3.24Å; H170-H277 AromaticContact CE1-CE1 3.64Å; H170-H277 AromaticContact CE1-CG 3.77Å; H170-H277 AromaticContact CE1-NE2 3.03Å; H170-H277 PolarHBondContact CE1-NE2 3.44Å; H170-H277 AromaticContact ND1-CD2 3.99Å; H170-H277 AromaticContact NE2-CD2 3.09Å; H170-H277 PolarHBondContact NE2-CD2 2.93Å; H170-H277 AromaticContact NE2-NE2 3.29Å; H170-H277 PolarHBondContact NE2-NE2 2.85Å; H277-T279 PolarHBondContact O-N 3.21Å
278	I	55.7	Low	70.5	Confident	32 Å²	32	61.4 Å²	61.4	16%	0.164	33%	0.333	C	S	.	.			trans	-80.4	109.4	-177.7	-59.2	173.5	0	0	0	108.1	M273 S276	M273-I278 HydrophobicContact CE-CB 4.2Å; S276-I278 PolarHBondContact O-N 2.71Å
279	T	45.7	Very low	70.7	Confident	132 Å²	132	60 Å²	60	81%	0.81	33%	0.328	S	S	*	.			trans	-86	-12.8	178.9	50	0	0	0	0	113.4	H277 N281	H277-T279 PolarHBondContact O-N 3.21Å; T279-N281 PolarHBondContact O-N 2.95Å
280	E	50	Low	70.9	Confident	128 Å²	128	59.6 Å²	59.6	60%	0.598	33%	0.326	S	S	*	.			trans	-86	91.9	-178.1	-77.2	-175.3	157.4	0	0	112.1	S282	E280-S282 VanDerWaalsContact C-N 3.28Å; E280-S282 PolarHBondContact O-N 2.92Å
281	N	55.2	Low	71.2	Confident	107 Å²	107	57.7 Å²	57.7	57%	0.572	31%	0.313	S	S	*	.			trans	-79	75	167.9	-70.8	-22.9	0	0	0	110	T279	T279-N281 PolarHBondContact O-N 2.95Å
282	S	61.5	Low	71.5	Confident	38 Å²	38	51.6 Å²	51.6	27%	0.266	29%	0.286	S	S	.	.			trans	-61.6	125.5	172	74.8	0	0	0	0	109.2	E280 N284 R285	E280-S282 VanDerWaalsContact C-N 3.28Å; E280-S282 PolarHBondContact O-N 2.92Å; S282-N284 PolarHBondContact O-N 3.2Å; S282-N284 VanDerWaalsContact O-N 3.13Å; S282-R285 PolarHBondContact O-N 3.01Å; S282-R285 VanDerWaalsContact O-N 3.13Å
283	P	58.9	Low	71.9	Confident	73 Å²	73	53 Å²	53	47%	0.474	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-62.5	-25	-174.4	22.3	-32.4	0	0	0	112.6	R285	P283-R285 VanDerWaalsContact C-N 3.29Å; P283-R285 PolarHBondContact O-N 3.45Å
284	N	62	Low	72.5	Confident	84 Å²	84	52.9 Å²	52.9	45%	0.449	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-77	-9.3	-179	-64.2	-22.1	0	0	0	114.2	S282 Q330 I438	S282-N284 PolarHBondContact O-N 3.2Å; S282-N284 VanDerWaalsContact O-N 3.13Å; N284-Q330 PolarHBondContact O-NE2 3.32Å; N284-I438 HydrophobicContact CB-CD1 4.37Å
285	R	78.4	Confident	73.2	Confident	20 Å²	20	46.4 Å²	46.4	8%	0.075	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-124.2	53.8	179.7	-68	-143.1	70.7	-142.4	4.5	111.9	F269 S282 P283 V332 G336 L338 G436 I438	F269-R285 WeakPolarHBondContact CZ-O 3.3Å; S282-R285 PolarHBondContact O-N 3.01Å; S282-R285 VanDerWaalsContact O-N 3.13Å; P283-R285 VanDerWaalsContact C-N 3.29Å; P283-R285 PolarHBondContact O-N 3.45Å; R285-V332 HydrophobicContact CB-CG1 4.14Å; R285-V332 VanDerWaalsContact CZ-CG1 3.41Å; R285-G336 PolarHBondContact NH1-O 3.4Å; R285-G336 PolarHBondContact NH2-O 2.95Å; R285-L338 PolarHBondContact NH2-O 3.42Å; R285-G436 WeakPolarHBondContact CD-O 3.09Å; R285-G436 PolarHBondContact NH1-O 3.27Å; R285-I438 HydrophobicContact CG-CD1 4.41Å
286	Q	84.8	Confident	74.6	Confident	20 Å²	20	44.5 Å²	44.5	9%	0.093	24%	0.241	C	C	.	.			trans	-121	144.6	169.8	-68.7	-177.2	-6.9	0	0	110.3	G303 F305 Q330	Q286-G303 PolarHBondContact OE1-O 3.46Å; Q286-F305 HydrophobicContact CB-CB 4.18Å; Q286-F305 HydrophobicContact CG-CB 4.18Å; Q286-Q330 PolarHBondContact O-NE2 3.3Å
287	P	89.4	Confident	76.1	Confident	8 Å²	8	49.7 Å²	49.7	5%	0.052	26%	0.257	C	S	.	.			trans	-71	144.7	172.3	31	-34.5	0	0	0	110.3	F265 F269 F305 Q330	F265-P287 HydrophobicContact CB-CB 3.87Å; F269-P287 HydrophobicContact CB-CG 3.76Å; F269-P287 HydrophobicContact CD1-CG 4.32Å; F269-P287 HydrophobicContact CD2-CG 4.33Å; F269-P287 HydrophobicContact CG-CG 3.9Å; P287-F305 HydrophobicContact CG-CD2 3.71Å; P287-F305 HydrophobicContact CG-CE2 3.74Å; P287-Q330 WeakPolarHBondContact CA-O 3.35Å; P287-Q330 WeakPolarHBondContact CB-O 3.28Å
288	F	89.6	Confident	77.6	Confident	33 Å²	33	50 Å²	50	15%	0.145	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	157.9	173.8	64.4	-103.6	0	0	0	111.3	L290 L300 V328 A329 Q330	F288-L290 HydrophobicContact CD2-CD1 4.27Å; F288-L290 HydrophobicContact CD2-CG 4.13Å; F288-L300 HydrophobicContact CD2-CD2 4.39Å; F288-L300 HydrophobicContact CE1-CD2 4.45Å; F288-L300 HydrophobicContact CE2-CD2 3.56Å; F288-L300 HydrophobicContact CZ-CD2 3.6Å; F288-V328 HydrophobicContact CE2-CB 4.31Å; F288-V328 HydrophobicContact CE2-CG1 3.77Å; F288-V328 HydrophobicContact CZ-CG1 4.33Å; F288-A329 CarbonylContact O-C 3.58Å; F288-A329 WeakPolarHBondContact O-CA 3.36Å; F288-Q330 HydrophobicContact CD1-CB 3.7Å; F288-Q330 HydrophobicContact CD1-CG 4.39Å; F288-Q330 HydrophobicContact CD2-CB 4.31Å; F288-Q330 HydrophobicContact CE1-CB 3.45Å; F288-Q330 VanDerWaalsContact CE1-CB 3.45Å; F288-Q330 HydrophobicContact CE1-CG 4.09Å; F288-Q330 HydrophobicContact CE2-CB 4.07Å; F288-Q330 HydrophobicContact CG-CB 4.13Å; F288-Q330 HydrophobicContact CZ-CB 3.63Å; F288-Q330 PolarHBondContact N-O 3.2Å; F288-Q330 VanDerWaalsContact N-O 3.16Å; F288-Q330 PolarHBondContact O-N 3.21Å
289	V	91.8	Very high	79.1	Confident	11 Å²	11	50.6 Å²	50.6	7%	0.067	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	121.6	168.4	178.1	0	0	0	0	107.4	F242 A261 F265 F291 V328 A329	F242-V289 HydrophobicContact CE2-CG1 4.48Å; F242-V289 HydrophobicContact CE2-CG2 3.93Å; A261-V289 HydrophobicContact CB-CG1 4.13Å; F265-V289 HydrophobicContact CD2-CG2 4.16Å; F265-V289 HydrophobicContact CE2-CG2 4.4Å; V289-F291 HydrophobicContact CG1-CD1 4.18Å; V289-F291 HydrophobicContact CG1-CE1 3.59Å; V289-F291 HydrophobicContact CG1-CZ 4.34Å; V289-V328 WeakPolarHBondContact CA-O 3.46Å; V289-A329 HydrophobicContact CG2-CB 4.16Å
290	L	91.9	Very high	80.9	Confident	6 Å²	6	45.2 Å²	45.2	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	133.2	-179.5	-57.6	174.5	0	0	0	110.1	E258 F288 H294 N299 L300 M327 V328	E258-L290 WeakPolarHBondContact OE1-CA 3.47Å; F288-L290 HydrophobicContact CD2-CD1 4.27Å; F288-L290 HydrophobicContact CD2-CG 4.13Å; L290-H294 WeakPolarHBondContact CD2-ND1 3.34Å; L290-N299 HydrophobicContact CD1-CB 4.09Å; L290-L300 HydrophobicContact CD1-CD2 3.85Å; L290-L300 HydrophobicContact CD1-CG 4.2Å; L290-M327 CarbonylContact O-C 3.49Å; L290-M327 VanDerWaalsContact O-CA 3.3Å; L290-M327 WeakPolarHBondContact O-CA 3.33Å; L290-V328 PolarHBondContact N-O 2.84Å; L290-V328 PolarHBondContact O-N 3.19Å
291	F	92.4	Very high	82.3	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	138.2	-178.8	-62.6	-19.5	0	0	0	111.7	E258 A261 V289 N293 H294 V314 T317 A324 M327 F346	E258-F291 HydrophobicContact CB-CE2 4.45Å; E258-F291 HydrophobicContact CG-CB 4.32Å; E258-F291 HydrophobicContact CG-CD1 4.15Å; E258-F291 HydrophobicContact CG-CD2 3.54Å; E258-F291 HydrophobicContact CG-CE1 4.4Å; E258-F291 HydrophobicContact CG-CE2 3.81Å; E258-F291 HydrophobicContact CG-CG 3.74Å; E258-F291 HydrophobicContact CG-CZ 4.24Å; E258-F291 PolarHBondContact OE1-N 2.89Å; A261-F291 HydrophobicContact CB-CE1 4.23Å; A261-F291 HydrophobicContact CB-CZ 3.73Å; V289-F291 HydrophobicContact CG1-CD1 4.18Å; V289-F291 HydrophobicContact CG1-CE1 3.59Å; V289-F291 HydrophobicContact CG1-CZ 4.34Å; F291-N293 PolarHBondContact O-N 2.82Å; F291-H294 VanDerWaalsContact O-CB 3.28Å; F291-H294 WeakPolarHBondContact O-CB 3.39Å; F291-H294 PolarHBondContact O-N 2.89Å; F291-V314 HydrophobicContact CD2-CG2 4.09Å; F291-V314 HydrophobicContact CE2-CG2 3.73Å; F291-V314 HydrophobicContact CZ-CG2 4.12Å; F291-T317 HydrophobicContact CB-CG2 4.07Å; F291-T317 WeakPolarHBondContact O-CG2 3.45Å; F291-A324 HydrophobicContact CB-CB 3.99Å; F291-M327 HydrophobicContact CD1-CB 3.61Å; F291-M327 HydrophobicContact CE1-CB 4.03Å; F291-M327 HydrophobicContact CE1-SD 4.02Å; F291-F346 HydrophobicContact CD1-CE2 4.11Å; F291-F346 HydrophobicContact CD1-CZ 4.33Å; F291-F346 HydrophobicContact CE1-CE2 4.38Å; F291-F346 HydrophobicContact CE1-CZ 4.14Å; F291-F346 HydrophobicContact CG-CE2 4.48Å
292	G	90.8	Very high	82.8	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.01	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	42.4	-119.2	169	0	0	0	0	0	114.1	H294 S295 H326	G292-H294 PolarHBondContact O-N 3.25Å; G292-S295 WeakPolarHBondContact O-CB 3.1Å; G292-S295 PolarHBondContact O-N 3.4Å; G292-S295 PolarHBondContact O-OG 3.07Å; G292-H326 PolarHBondContact N-O 2.93Å
293	N	88.1	Confident	82.7	Confident	45 Å²	45	39.6 Å²	39.6	24%	0.241	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-71.1	-12	-174.9	-73.2	19.1	0	0	0	114.3	F291 T296 T317 P319 C469 L470	F291-N293 PolarHBondContact O-N 2.82Å; N293-T296 VanDerWaalsContact O-CG2 3.25Å; N293-T296 WeakPolarHBondContact O-CG2 3.37Å; N293-T317 PolarHBondContact N-O 2.88Å; N293-P319 WeakPolarHBondContact ND2-CA 3.32Å; N293-P319 WeakPolarHBondContact OD1-CD 2.92Å; N293-C469 PolarHBondContact ND2-O 3.29Å; N293-C469 PolarHBondContact OD1-O 2.86Å; N293-L470 PolarHBondContact OD1-O 2.55Å
294	H	88.9	Confident	82.6	Confident	31 Å²	31	39.3 Å²	39.3	14%	0.144	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-76.5	-15.2	174.9	-170.8	-138.5	0	0	0	112	E258 L290 F291 G292 T296 N299 H312 T317	E258-H294 IonicContact OE1-CE1 2.62Å; E258-H294 IonicContact OE1-CG 3.93Å; E258-H294 IonicContact OE1-ND1 3.09Å; E258-H294 PolarHBondContact OE1-ND1 3Å; E258-H294 IonicContact OE2-CE1 3.13Å; E258-H294 PolarHBondContact OE2-CE1 3.35Å; E258-H294 IonicContact OE2-ND1 3.92Å; E258-H294 PolarHBondContact OE2-ND1 3.41Å; L290-H294 WeakPolarHBondContact CD2-ND1 3.34Å; F291-H294 VanDerWaalsContact O-CB 3.28Å; F291-H294 WeakPolarHBondContact O-CB 3.39Å; F291-H294 PolarHBondContact O-N 2.89Å; G292-H294 PolarHBondContact O-N 3.25Å; H294-T296 PolarHBondContact O-N 3.13Å; H294-N299 PolarHBondContact CD2-ND2 3.25Å; H294-N299 PolarHBondContact NE2-ND2 2.77Å; H294-N299 VanDerWaalsContact O-CB 3.31Å; H294-N299 WeakPolarHBondContact O-CB 3.45Å; H294-N299 PolarHBondContact O-ND2 2.93Å; H294-H312 AromaticContact CD2-CE1 3.55Å; H294-H312 AromaticContact CD2-ND1 3.9Å; H294-H312 AromaticContact CE1-CE1 3.48Å; H294-H312 PolarHBondContact CE1-CE1 3.22Å; H294-H312 VanDerWaalsContact CE1-CE1 3.48Å; H294-H312 AromaticContact CE1-ND1 3.28Å; H294-H312 PolarHBondContact CE1-ND1 3.35Å; H294-H312 VanDerWaalsContact CE1-ND1 3.28Å; H294-H312 AromaticContact CG-CE1 3.82Å; H294-H312 AromaticContact CG-ND1 3.72Å; H294-H312 AromaticContact ND1-CE1 3.74Å; H294-H312 AromaticContact ND1-ND1 3.29Å; H294-H312 PolarHBondContact ND1-ND1 3.19Å; H294-H312 AromaticContact NE2-CE1 3.35Å; H294-H312 PolarHBondContact NE2-CE1 2.83Å; H294-H312 AromaticContact NE2-ND1 3.67Å; H294-T317 HydrophobicContact CB-CG2 3.66Å
295	S	91	Very high	82.4	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.			trans	-75.3	45.5	173.7	66.9	0	0	0	0	113.7	G292 H326 G471 S472	G292-S295 WeakPolarHBondContact O-CB 3.1Å; G292-S295 PolarHBondContact O-N 3.4Å; G292-S295 PolarHBondContact O-OG 3.07Å; S295-H326 PolarHBondContact OG-NE2 3.17Å; S295-G471 WeakPolarHBondContact OG-CA 3.37Å; S295-S472 WeakPolarHBondContact O-CB 3.43Å; S295-S472 PolarHBondContact O-N 3.25Å; S295-S472 VanDerWaalsContact O-N 3.11Å; S295-S472 PolarHBondContact O-OG 3.14Å; S295-S472 PolarHBondContact OG-N 3.14Å; S295-S472 PolarHBondContact OG-O 3.39Å
296	T	89.1	Confident	81.2	Confident	29 Å²	29	41.7 Å²	41.7	18%	0.178	22%	0.219	C	C	.	.			trans	-76.3	164.2	177	76.1	0	0	0	0	112	N293 H294 E298 N299 L300 D459	N293-T296 VanDerWaalsContact O-CG2 3.25Å; N293-T296 WeakPolarHBondContact O-CG2 3.37Å; H294-T296 PolarHBondContact O-N 3.13Å; T296-E298 WeakPolarHBondContact CB-OE2 3.45Å; T296-E298 PolarHBondContact O-N 2.69Å; T296-E298 PolarHBondContact OG1-N 2.72Å; T296-E298 PolarHBondContact OG1-OE2 3.23Å; T296-N299 PolarHBondContact O-N 3.24Å; T296-N299 PolarHBondContact OG1-N 3.29Å; T296-N299 PolarHBondContact OG1-ND2 3.36Å; T296-L300 WeakPolarHBondContact O-CB 3.32Å; T296-L300 WeakPolarHBondContact O-CG 3.45Å; T296-L300 PolarHBondContact O-N 2.63Å; T296-D459 VanDerWaalsContact CA-OD1 3.27Å; T296-D459 WeakPolarHBondContact CA-OD1 3.31Å
297	R	89.1	Confident	79.8	Confident	128 Å²	128	49.4 Å²	49.4	48%	0.483	25%	0.253	S	S	.	.	H	α-helix	trans	-54.4	-39.2	174.3	-176.8	170.6	-177.9	166.8	2.4	113.1	N301 Y458 D459	R297-N301 WeakPolarHBondContact CG-ND2 3.48Å; R297-N301 WeakPolarHBondContact O-CB 3.18Å; R297-N301 PolarHBondContact O-N 3.35Å; R297-N301 PolarHBondContact O-ND2 3.24Å; R297-Y458 HydrophobicContact CB-CD1 3.58Å; R297-Y458 HydrophobicContact CB-CE1 4.16Å; R297-Y458 HydrophobicContact CB-CG 4Å; R297-Y458 HydrophobicContact CG-CD1 3.7Å; R297-Y458 HydrophobicContact CG-CD2 4.46Å; R297-Y458 HydrophobicContact CG-CE1 3.89Å; R297-Y458 HydrophobicContact CG-CG 4.01Å; R297-D459 WeakPolarHBondContact CB-OD2 3.25Å; R297-D459 PolarHBondContact N-OD1 3.37Å
298	E	86	Confident	78.5	Confident	125 Å²	125	51 Å²	51	58%	0.584	26%	0.263	S	S	*	.	H	α-helix	trans	-65.4	-48.9	179.3	-61.7	72.4	-154.6	0	0	110.9	T296 L300 N301 A302	T296-E298 WeakPolarHBondContact CB-OE2 3.45Å; T296-E298 PolarHBondContact O-N 2.69Å; T296-E298 PolarHBondContact OG1-N 2.72Å; T296-E298 PolarHBondContact OG1-OE2 3.23Å; E298-L300 PolarHBondContact O-N 3.43Å; E298-N301 CarbonylContact O-C 3.28Å; E298-N301 PolarHBondContact O-N 3.17Å; E298-A302 VanDerWaalsContact O-CB 3.3Å; E298-A302 WeakPolarHBondContact O-CB 3.25Å; E298-A302 PolarHBondContact O-N 3.09Å
299	N	85.6	Confident	77.5	Confident	43 Å²	43	51 Å²	51	23%	0.23	27%	0.267	C	S	.	.	H	α-helix	trans	-69.7	-33.7	-176.7	-67.9	-29.6	0	0	0	113.1	L290 H294 T296 N301	L290-N299 HydrophobicContact CD1-CB 4.09Å; H294-N299 PolarHBondContact CD2-ND2 3.25Å; H294-N299 PolarHBondContact NE2-ND2 2.77Å; H294-N299 VanDerWaalsContact O-CB 3.31Å; H294-N299 WeakPolarHBondContact O-CB 3.45Å; H294-N299 PolarHBondContact O-ND2 2.93Å; T296-N299 PolarHBondContact O-N 3.24Å; T296-N299 PolarHBondContact OG1-N 3.29Å; T296-N299 PolarHBondContact OG1-ND2 3.36Å; N299-N301 VanDerWaalsContact C-N 3.32Å
300	L	84.7	Confident	76.8	Confident	20 Å²	20	57.7 Å²	57.7	11%	0.105	30%	0.298	C	S	.	.	H	α-helix	trans	-66.7	-33.9	173.1	-74.3	170.8	0	0	0	112.2	F288 L290 T296 E298 V328 T456 Y458 V474	F288-L300 HydrophobicContact CD2-CD2 4.39Å; F288-L300 HydrophobicContact CE1-CD2 4.45Å; F288-L300 HydrophobicContact CE2-CD2 3.56Å; F288-L300 HydrophobicContact CZ-CD2 3.6Å; L290-L300 HydrophobicContact CD1-CD2 3.85Å; L290-L300 HydrophobicContact CD1-CG 4.2Å; T296-L300 WeakPolarHBondContact O-CB 3.32Å; T296-L300 WeakPolarHBondContact O-CG 3.45Å; T296-L300 PolarHBondContact O-N 2.63Å; E298-L300 PolarHBondContact O-N 3.43Å; L300-V328 HydrophobicContact CD2-CG1 4.36Å; L300-T456 HydrophobicContact CD1-CG2 4.27Å; L300-Y458 HydrophobicContact CB-CE1 4.36Å; L300-Y458 HydrophobicContact CD1-CD1 4.07Å; L300-Y458 HydrophobicContact CD1-CE1 3.92Å; L300-V474 HydrophobicContact CD1-CG2 4.02Å; L300-V474 HydrophobicContact CD2-CG2 4.22Å
301	N	78.3	Confident	76.2	Confident	77 Å²	77	59.9 Å²	59.9	41%	0.412	32%	0.322	S	S	.	.	H	α-helix	trans	-89.2	-15.7	179.8	-66.2	-33.6	0	0	0	113.3	R297 E298 N299 G303	R297-N301 WeakPolarHBondContact CG-ND2 3.48Å; R297-N301 WeakPolarHBondContact O-CB 3.18Å; R297-N301 PolarHBondContact O-N 3.35Å; R297-N301 PolarHBondContact O-ND2 3.24Å; E298-N301 CarbonylContact O-C 3.28Å; E298-N301 PolarHBondContact O-N 3.17Å; N299-N301 VanDerWaalsContact C-N 3.32Å; N301-G303 PolarHBondContact O-N 3.24Å
302	A	67.7	Low	76.1	Confident	57 Å²	57	62.7 Å²	62.7	47%	0.471	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-15.5	-176.2	0	0	0	0	0	113.9	E298 N304	E298-A302 VanDerWaalsContact O-CB 3.3Å; E298-A302 WeakPolarHBondContact O-CB 3.25Å; E298-A302 PolarHBondContact O-N 3.09Å; A302-N304 WeakPolarHBondContact CB-OD1 3.15Å
303	G	58.9	Low	76	Confident	20 Å²	20	63.8 Å²	63.8	21%	0.206	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	57.6	-177.4	0	0	0	0	0	110.9	Q286 N301 F305	Q286-G303 PolarHBondContact OE1-O 3.46Å; N301-G303 PolarHBondContact O-N 3.24Å; G303-F305 PolarHBondContact O-N 2.62Å
304	N	56.8	Low	76.1	Confident	67 Å²	67	61.7 Å²	61.7	36%	0.358	33%	0.329	S	S	.	.			trans	-79.3	62.8	-174.2	-77.2	-14.1	0	0	0	112	A302	A302-N304 WeakPolarHBondContact CB-OD1 3.15Å
305	F	56.4	Low	76	Confident	35 Å²	35	66.1 Å²	66.1	15%	0.154	35%	0.345	C	S	.	.			trans	-76.1	-31.1	171.9	-178	-112.1	0	0	0	113.1	R266 F269 S270 Q286 P287 G303	R266-F305 HydrophobicContact CG-CE2 4.36Å; F269-F305 HydrophobicContact CB-CE2 4.09Å; F269-F305 HydrophobicContact CD1-CD2 4.06Å; F269-F305 HydrophobicContact CD1-CE1 4.19Å; F269-F305 AromaticContact CD1-CE2 3.29Å; F269-F305 HydrophobicContact CD1-CE2 3.29Å; F269-F305 AromaticContact CD1-CZ 3.37Å; F269-F305 HydrophobicContact CD1-CZ 3.37Å; F269-F305 HydrophobicContact CE1-CD2 4.4Å; F269-F305 HydrophobicContact CE1-CE1 4.4Å; F269-F305 AromaticContact CE1-CE2 4Å; F269-F305 HydrophobicContact CE1-CE2 4Å; F269-F305 AromaticContact CE1-CZ 3.99Å; F269-F305 HydrophobicContact CE1-CZ 3.99Å; F269-F305 HydrophobicContact CG-CE2 4.02Å; F269-F305 HydrophobicContact CG-CZ 4.38Å; S270-F305 WeakPolarHBondContact OG-CZ 3.11Å; Q286-F305 HydrophobicContact CB-CB 4.18Å; Q286-F305 HydrophobicContact CG-CB 4.18Å; P287-F305 HydrophobicContact CG-CD2 3.71Å; P287-F305 HydrophobicContact CG-CE2 3.74Å; G303-F305 PolarHBondContact O-N 2.62Å
306	N	53.5	Low	75.9	Confident	119 Å²	119	68.5 Å²	68.5	64%	0.636	36%	0.362	S	S	*	.	S	Bend	trans	-86.8	-22.7	-163.7	-72.3	-23	0	0	0	115.2
307	F	55.1	Low	75.9	Confident	183 Å²	183	67.7 Å²	67.7	80%	0.803	36%	0.356	S	S	*	.			trans	-151.3	84.5	-179.2	-62.2	-78.5	0	0	0	112
308	P	63.5	Low	75.7	Confident	40 Å²	40	61.9 Å²	61.9	26%	0.26	34%	0.336	S	S	.	.			trans	-65.6	140.5	168.6	28.9	-33.3	0	0	0	109.6	E310	P308-E310 PolarHBondContact O-N 3.27Å
309	S	67.6	Low	75.4	Confident	35 Å²	35	57 Å²	57	25%	0.245	32%	0.316	C	S	.	.			trans	-73	122.5	-176.9	-178.6	0	0	0	0	110.8	G311 H312	S309-G311 PolarHBondContact OG-N 3.03Å; S309-G311 VanDerWaalsContact OG-N 3.14Å; S309-H312 WeakPolarHBondContact CB-ND1 3.43Å; S309-H312 PolarHBondContact OG-CE1 3.5Å; S309-H312 PolarHBondContact OG-N 3.39Å; S309-H312 VanDerWaalsContact OG-N 3.17Å; S309-H312 PolarHBondContact OG-ND1 3.04Å; S309-H312 VanDerWaalsContact OG-ND1 3.08Å
310	E	77.5	Confident	75.1	Confident	150 Å²	150	59.3 Å²	59.3	70%	0.701	35%	0.35	S	S	*	.	S	Bend	trans	-74.2	-15.4	165.7	-62.8	-166.2	160.8	0	0	112	P308	P308-E310 PolarHBondContact O-N 3.27Å
311	G	80.1	Confident	74.8	Confident	53 Å²	53	60.9 Å²	60.9	55%	0.546	37%	0.371	S	S	.	.	S	Bend	trans	-87.4	-16.2	-178.5	0	0	0	0	0	114.9	S309 L313	S309-G311 PolarHBondContact OG-N 3.03Å; S309-G311 VanDerWaalsContact OG-N 3.14Å; G311-L313 PolarHBondContact O-N 3.23Å
312	H	88.4	Confident	75.1	Confident	59 Å²	59	59.4 Å²	59.4	27%	0.273	37%	0.366	S	S	.	.			trans	-89.8	100.8	176.3	-61.7	137.9	0	0	0	109.7	S257 E258 H294 S309 T317	S257-H312 WeakPolarHBondContact CA-O 3.48Å; E258-H312 HydrophobicContact CG-CB 3.95Å; E258-H312 PolarHBondContact N-O 2.88Å; E258-H312 VanDerWaalsContact N-O 3.16Å; E258-H312 IonicContact OE2-CG 2.67Å; E258-H312 IonicContact OE2-ND1 3.43Å; E258-H312 PolarHBondContact OE2-ND1 3.29Å; H294-H312 AromaticContact CD2-CE1 3.55Å; H294-H312 AromaticContact CD2-ND1 3.9Å; H294-H312 AromaticContact CE1-CE1 3.48Å; H294-H312 PolarHBondContact CE1-CE1 3.22Å; H294-H312 VanDerWaalsContact CE1-CE1 3.48Å; H294-H312 AromaticContact CE1-ND1 3.28Å; H294-H312 PolarHBondContact CE1-ND1 3.35Å; H294-H312 VanDerWaalsContact CE1-ND1 3.28Å; H294-H312 AromaticContact CG-CE1 3.82Å; H294-H312 AromaticContact CG-ND1 3.72Å; H294-H312 AromaticContact ND1-CE1 3.74Å; H294-H312 AromaticContact ND1-ND1 3.29Å; H294-H312 PolarHBondContact ND1-ND1 3.19Å; H294-H312 AromaticContact NE2-CE1 3.35Å; H294-H312 PolarHBondContact NE2-CE1 2.83Å; H294-H312 AromaticContact NE2-ND1 3.67Å; S309-H312 WeakPolarHBondContact CB-ND1 3.43Å; S309-H312 PolarHBondContact OG-CE1 3.5Å; S309-H312 PolarHBondContact OG-N 3.39Å; S309-H312 VanDerWaalsContact OG-N 3.17Å; S309-H312 PolarHBondContact OG-ND1 3.04Å; S309-H312 VanDerWaalsContact OG-ND1 3.08Å; H312-T317 HydrophobicContact CB-CG2 4.3Å
313	L	90.5	Very high	76.1	Confident	24 Å²	24	57.6 Å²	57.6	13%	0.126	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-105.4	151.6	-178	-56.6	173.6	0	0	0	110.1	E255 L256 G311 R315 S316 T317	E255-L313 WeakPolarHBondContact O-CD2 3.43Å; L256-L313 WeakPolarHBondContact O-CA 3.49Å; G311-L313 PolarHBondContact O-N 3.23Å; L313-R315 HydrophobicContact CB-CG 3.94Å; L313-R315 HydrophobicContact CD1-CG 4.37Å; L313-R315 VanDerWaalsContact CD1-NE 3.33Å; L313-R315 VanDerWaalsContact CD1-NH2 3.3Å; L313-R315 PolarHBondContact O-N 3.17Å; L313-R315 VanDerWaalsContact O-N 3.07Å; L313-S316 PolarHBondContact O-N 2.98Å; L313-T317 PolarHBondContact N-OG1 3.26Å; L313-T317 PolarHBondContact O-N 2.82Å; L313-T317 PolarHBondContact O-OG1 3.17Å
314	V	88.9	Confident	77.5	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-38.9	175.2	177	0	0	0	0	111.2	L253 L254 L256 F291 S316 F323 A324 F346 V514	L253-V314 WeakPolarHBondContact O-CB 3.45Å; L253-V314 WeakPolarHBondContact O-CG2 3.42Å; L254-V314 HydrophobicContact CD2-CG1 4.3Å; L256-V314 HydrophobicContact CB-CG2 4.27Å; L256-V314 PolarHBondContact O-N 3Å; L256-V314 VanDerWaalsContact O-N 3.09Å; F291-V314 HydrophobicContact CD2-CG2 4.09Å; F291-V314 HydrophobicContact CE2-CG2 3.73Å; F291-V314 HydrophobicContact CZ-CG2 4.12Å; V314-S316 PolarHBondContact O-N 3.11Å; V314-F323 CarbonylContact O-C 3.6Å; V314-F323 WeakPolarHBondContact O-CA 3.34Å; V314-F323 VanDerWaalsContact O-CB 3.29Å; V314-F323 WeakPolarHBondContact O-CB 3.16Å; V314-A324 PolarHBondContact O-N 3.43Å; V314-F346 HydrophobicContact CG1-CD1 4.32Å; V314-F346 HydrophobicContact CG1-CD2 4.26Å; V314-F346 HydrophobicContact CG1-CE2 4.43Å; V314-F346 HydrophobicContact CG1-CG 4.21Å; V314-F346 HydrophobicContact CG2-CE1 4.28Å; V314-F346 HydrophobicContact CG2-CE2 4.24Å; V314-F346 HydrophobicContact CG2-CZ 3.94Å; V314-V514 HydrophobicContact CG1-CG1 4.21Å
315	R	88.1	Confident	79.1	Confident	124 Å²	124	53.8 Å²	53.8	47%	0.468	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-20.9	179.2	68.4	178.3	176.5	-174.3	-10.3	116.9	L254 E255 L313 S322 F323	L254-R315 HydrophobicContact CB-CB 4.28Å; L254-R315 HydrophobicContact CD2-CB 4.14Å; L254-R315 WeakPolarHBondContact O-CB 3.37Å; L254-R315 PolarHBondContact O-N 3.45Å; L254-R315 VanDerWaalsContact O-N 3.09Å; E255-R315 VanDerWaalsContact CD-CZ 3.44Å; E255-R315 VanDerWaalsContact CD-NH1 3.27Å; E255-R315 WeakPolarHBondContact OE1-CD 3.39Å; E255-R315 IonicContact OE1-CZ 2.88Å; E255-R315 IonicContact OE1-NE 2.89Å; E255-R315 IonicContact OE1-NH1 2.73Å; E255-R315 PolarHBondContact OE1-NH1 2.96Å; E255-R315 IonicContact OE1-NH2 2.71Å; E255-R315 IonicContact OE2-CZ 3.96Å; E255-R315 IonicContact OE2-NE 3.01Å; E255-R315 IonicContact OE2-NH1 3.61Å; E255-R315 PolarHBondContact OE2-NH1 3.44Å; E255-R315 VanDerWaalsContact OE2-NH1 3.13Å; E255-R315 IonicContact OE2-NH2 2.7Å; E255-R315 PolarHBondContact OE2-NH2 3.37Å; L313-R315 HydrophobicContact CB-CG 3.94Å; L313-R315 HydrophobicContact CD1-CG 4.37Å; L313-R315 VanDerWaalsContact CD1-NE 3.33Å; L313-R315 VanDerWaalsContact CD1-NH2 3.3Å; L313-R315 PolarHBondContact O-N 3.17Å; L313-R315 VanDerWaalsContact O-N 3.07Å; R315-S322 CarbonylContact O-C 3.29Å; R315-S322 VanDerWaalsContact O-C 3.29Å; R315-F323 WeakPolarHBondContact O-CA 3.38Å; R315-F323 PolarHBondContact O-N 3.15Å
316	S	88.1	Confident	80.9	Confident	51 Å²	51	52.1 Å²	52.1	36%	0.357	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-4.6	-166.6	57.8	0	0	0	0	115.6	L313 V314 S322	L313-S316 PolarHBondContact O-N 2.98Å; V314-S316 PolarHBondContact O-N 3.11Å; S316-S322 CarbonylContact C-O 3.59Å; S316-S322 VanDerWaalsContact C-O 3.28Å; S316-S322 WeakPolarHBondContact CA-O 3.46Å
317	T	88.3	Confident	82.8	Confident	11 Å²	11	46.5 Å²	46.5	7%	0.067	29%	0.285	C	S	.	.	S	Bend	trans	-97.4	18.9	-175.2	-41.4	0	0	0	0	114.2	F291 N293 H294 H312 L313 S322	F291-T317 HydrophobicContact CB-CG2 4.07Å; F291-T317 WeakPolarHBondContact O-CG2 3.45Å; N293-T317 PolarHBondContact N-O 2.88Å; H294-T317 HydrophobicContact CB-CG2 3.66Å; H312-T317 HydrophobicContact CB-CG2 4.3Å; L313-T317 PolarHBondContact N-OG1 3.26Å; L313-T317 PolarHBondContact O-N 2.82Å; L313-T317 PolarHBondContact O-OG1 3.17Å; T317-S322 PolarHBondContact N-O 2.98Å
318	G	85.6	Confident	84.7	Confident	6 Å²	6	37.8 Å²	37.8	6%	0.062	25%	0.247	C	C	.	.	S	Bend	trans	-94.5	175.2	172.8	0	0	0	0	0	114	G320 G321 S322	G318-G320 PolarHBondContact O-N 3.4Å; G318-G321 PolarHBondContact O-N 2.91Å; G318-G321 VanDerWaalsContact O-N 3.13Å; G318-S322 WeakPolarHBondContact CA-O 3.1Å; G318-S322 PolarHBondContact N-O 3.16Å
319	P	80.9	Confident	86.1	Confident	23 Å²	23	35.9 Å²	35.9	15%	0.149	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-54.3	130.6	175.2	-23.3	32.1	0	0	0	112	N293 G321 S322 L470	N293-P319 WeakPolarHBondContact ND2-CA 3.32Å; N293-P319 WeakPolarHBondContact OD1-CD 2.92Å; P319-G321 VanDerWaalsContact C-N 3.26Å; P319-G321 PolarHBondContact O-N 3.34Å; P319-S322 WeakPolarHBondContact O-CB 3.39Å; P319-S322 PolarHBondContact O-N 3.21Å; P319-S322 PolarHBondContact O-OG 3.2Å; P319-L470 HydrophobicContact CG-CD2 3.72Å
320	G	77.8	Confident	87.3	Confident	92 Å²	92	35.2 Å²	35.2	95%	0.948	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	65.3	22.4	180	0	0	0	0	0	115.1	G318 S322	G318-G320 PolarHBondContact O-N 3.4Å; G320-S322 VanDerWaalsContact C-N 3.31Å
321	G	79.3	Confident	88	Confident	53 Å²	53	28 Å²	28	55%	0.546	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	78.3	14.7	-177.9	0	0	0	0	0	114	G318 P319	G318-G321 PolarHBondContact O-N 2.91Å; G318-G321 VanDerWaalsContact O-N 3.13Å; P319-G321 VanDerWaalsContact C-N 3.26Å; P319-G321 PolarHBondContact O-N 3.34Å
322	S	85.1	Confident	88.6	Confident	45 Å²	45	25.6 Å²	25.6	32%	0.315	17%	0.168	S	C	.	.			trans	-74	179.7	170.1	64.7	0	0	0	0	111.6	R315 S316 T317 G318 P319 G320	R315-S322 CarbonylContact O-C 3.29Å; R315-S322 VanDerWaalsContact O-C 3.29Å; S316-S322 CarbonylContact C-O 3.59Å; S316-S322 VanDerWaalsContact C-O 3.28Å; S316-S322 WeakPolarHBondContact CA-O 3.46Å; T317-S322 PolarHBondContact N-O 2.98Å; G318-S322 WeakPolarHBondContact CA-O 3.1Å; G318-S322 PolarHBondContact N-O 3.16Å; P319-S322 WeakPolarHBondContact O-CB 3.39Å; P319-S322 PolarHBondContact O-N 3.21Å; P319-S322 PolarHBondContact O-OG 3.2Å; G320-S322 VanDerWaalsContact C-N 3.31Å
323	F	86.8	Confident	88.6	Confident	19 Å²	19	22.9 Å²	22.9	8%	0.083	16%	0.156	C	C	.	.			trans	-70.5	147.5	174.8	77.9	-85.4	0	0	0	112	L254 V314 R315 K325 E515	L254-F323 HydrophobicContact CD2-CB 4.37Å; V314-F323 CarbonylContact O-C 3.6Å; V314-F323 WeakPolarHBondContact O-CA 3.34Å; V314-F323 VanDerWaalsContact O-CB 3.29Å; V314-F323 WeakPolarHBondContact O-CB 3.16Å; R315-F323 WeakPolarHBondContact O-CA 3.38Å; R315-F323 PolarHBondContact O-N 3.15Å; F323-K325 HydrophobicContact CE2-CD 4Å; F323-K325 HydrophobicContact CZ-CD 4.12Å; F323-E515 HydrophobicContact CE1-CG 3.91Å; F323-E515 WeakPolarHBondContact CE1-OE1 3.2Å; F323-E515 HydrophobicContact CZ-CG 4.05Å
324	A	89.9	Confident	88.2	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	15%	0.154	C	C	.	.			trans	-60.9	136.1	177.4	0	0	0	0	0	110.9	F291 V314 F346	F291-A324 HydrophobicContact CB-CB 3.99Å; V314-A324 PolarHBondContact O-N 3.43Å; A324-F346 HydrophobicContact CB-CD2 4Å; A324-F346 HydrophobicContact CB-CE2 4.3Å; A324-F346 WeakPolarHBondContact O-CB 3.34Å
325	K	89.9	Confident	87.6	Confident	8 Å²	8	27 Å²	27	4%	0.035	17%	0.174	C	C	.	.	S	Bend	trans	-88.4	-24.8	179.5	-58.3	-53	-177.9	-174.3	0	113.4	F323 F346 I367 L370	F323-K325 HydrophobicContact CE2-CD 4Å; F323-K325 HydrophobicContact CZ-CD 4.12Å; K325-F346 PolarHBondContact O-N 3.23Å; K325-I367 HydrophobicContact CB-CG1 4.11Å; K325-I367 HydrophobicContact CD-CD1 4.25Å; K325-I367 HydrophobicContact CD-CG1 4.02Å; K325-I367 HydrophobicContact CG-CG1 4.46Å; K325-L370 HydrophobicContact CB-CD1 4.04Å
326	H	93.6	Very high	87.5	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	171.2	-179.9	72.6	-66.5	0	0	0	110.2	G292 S295 T343 Y344 F345 L470 S472	G292-H326 PolarHBondContact N-O 2.93Å; S295-H326 PolarHBondContact OG-NE2 3.17Å; H326-T343 HydrophobicContact CB-CG2 4.24Å; H326-Y344 CarbonylContact C-O 3.58Å; H326-Y344 WeakPolarHBondContact CA-O 3.47Å; H326-Y344 VanDerWaalsContact CB-O 3.26Å; H326-Y344 WeakPolarHBondContact CB-O 3.49Å; H326-F345 HydrophobicContact CB-CD1 3.87Å; H326-F345 HydrophobicContact CB-CE1 4.15Å; H326-L470 PolarHBondContact CE1-O 3.18Å; H326-S472 PolarHBondContact NE2-O 3.4Å
327	M	94.1	Very high	87.5	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	151.3	167.3	61.6	176.9	144.6	0	0	110.4	F242 F246 L290 F291 T343 Y344 F346 W512	F242-M327 HydrophobicContact CE1-CE 4.44Å; F242-M327 HydrophobicContact CZ-CE 4.19Å; F242-M327 HydrophobicContact CZ-SD 3.79Å; F246-M327 HydrophobicContact CD1-CE 4.02Å; F246-M327 HydrophobicContact CD2-CE 4.39Å; F246-M327 HydrophobicContact CE1-CE 3.54Å; F246-M327 HydrophobicContact CE1-SD 3.88Å; F246-M327 HydrophobicContact CE2-CE 3.97Å; F246-M327 HydrophobicContact CE2-SD 4.31Å; F246-M327 HydrophobicContact CG-CE 4.42Å; F246-M327 HydrophobicContact CZ-CE 3.51Å; F246-M327 HydrophobicContact CZ-SD 3.53Å; F246-M327 VanDerWaalsContact CZ-SD 3.53Å; L290-M327 CarbonylContact O-C 3.49Å; L290-M327 VanDerWaalsContact O-CA 3.3Å; L290-M327 WeakPolarHBondContact O-CA 3.33Å; F291-M327 HydrophobicContact CD1-CB 3.61Å; F291-M327 HydrophobicContact CE1-CB 4.03Å; F291-M327 HydrophobicContact CE1-SD 4.02Å; M327-T343 VanDerWaalsContact O-CA 3.29Å; M327-T343 WeakPolarHBondContact O-CA 3.47Å; M327-Y344 HydrophobicContact CE-CD2 4.12Å; M327-Y344 PolarHBondContact N-O 2.82Å; M327-Y344 PolarHBondContact O-N 2.61Å; M327-F346 HydrophobicContact CB-CE2 3.81Å; M327-F346 HydrophobicContact CB-CZ 4.11Å; M327-F346 HydrophobicContact CE-CE1 3.78Å; M327-F346 HydrophobicContact CE-CZ 3.66Å; M327-F346 HydrophobicContact CG-CE2 4.14Å; M327-F346 HydrophobicContact CG-CZ 4.04Å; M327-F346 HydrophobicContact SD-CE1 4.43Å; M327-F346 HydrophobicContact SD-CE2 4.36Å; M327-F346 HydrophobicContact SD-CZ 3.71Å; M327-W512 HydrophobicContact CE-CE3 3.89Å; M327-W512 HydrophobicContact CE-CH2 3.53Å; M327-W512 HydrophobicContact CE-CZ3 3.09Å
328	V	94.3	Very high	87.8	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124.7	169.8	-170	0	0	0	0	108.1	F288 V289 L290 L300 S472 V474	F288-V328 HydrophobicContact CE2-CB 4.31Å; F288-V328 HydrophobicContact CE2-CG1 3.77Å; F288-V328 HydrophobicContact CZ-CG1 4.33Å; V289-V328 WeakPolarHBondContact CA-O 3.46Å; L290-V328 PolarHBondContact N-O 2.84Å; L290-V328 PolarHBondContact O-N 3.19Å; L300-V328 HydrophobicContact CD2-CG1 4.36Å; V328-S472 VanDerWaalsContact CG2-O 3.25Å; V328-S472 WeakPolarHBondContact CG2-O 3.43Å; V328-V474 HydrophobicContact CG1-CB 3.58Å; V328-V474 HydrophobicContact CG1-CG2 3.57Å
329	A	93.9	Very high	88.2	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	137.9	-178.4	0	0	0	0	0	110.6	W239 F242 F265 F288 V289 S341 R342	W239-A329 HydrophobicContact CH2-CB 4.46Å; F242-A329 HydrophobicContact CE2-CB 4.38Å; F242-A329 HydrophobicContact CZ-CB 4Å; F265-A329 HydrophobicContact CE2-CB 4.28Å; F288-A329 CarbonylContact O-C 3.58Å; F288-A329 WeakPolarHBondContact O-CA 3.36Å; V289-A329 HydrophobicContact CG2-CB 4.16Å; A329-S341 CarbonylContact O-C 3.58Å; A329-S341 WeakPolarHBondContact O-CA 3.21Å; A329-R342 PolarHBondContact N-O 3.16Å; A329-R342 PolarHBondContact O-N 3.39Å
330	Q	92.6	Very high	88.8	Confident	21 Å²	21	17.1 Å²	17.1	10%	0.098	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	126.6	173.3	176	165.2	-32	0	0	109.8	N284 Q286 P287 F288 V332 C340 S341	N284-Q330 PolarHBondContact O-NE2 3.32Å; Q286-Q330 PolarHBondContact O-NE2 3.3Å; P287-Q330 WeakPolarHBondContact CA-O 3.35Å; P287-Q330 WeakPolarHBondContact CB-O 3.28Å; F288-Q330 HydrophobicContact CD1-CB 3.7Å; F288-Q330 HydrophobicContact CD1-CG 4.39Å; F288-Q330 HydrophobicContact CD2-CB 4.31Å; F288-Q330 HydrophobicContact CE1-CB 3.45Å; F288-Q330 VanDerWaalsContact CE1-CB 3.45Å; F288-Q330 HydrophobicContact CE1-CG 4.09Å; F288-Q330 HydrophobicContact CE2-CB 4.07Å; F288-Q330 HydrophobicContact CG-CB 4.13Å; F288-Q330 HydrophobicContact CZ-CB 3.63Å; F288-Q330 PolarHBondContact N-O 3.2Å; F288-Q330 VanDerWaalsContact N-O 3.16Å; F288-Q330 PolarHBondContact O-N 3.21Å; Q330-V332 HydrophobicContact CG-CG2 3.81Å; Q330-C340 WeakPolarHBondContact CA-O 3.27Å; Q330-S341 WeakPolarHBondContact CG-OG 3.27Å; Q330-S341 PolarHBondContact OE1-OG 3.34Å
331	C	92.5	Very high	89.7	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	140.5	169.6	-170.6	0	0	0	0	109.3	F235 W239 F265 A339 C340	F235-C331 HydrophobicContact CE2-CB 3.94Å; F235-C331 HydrophobicContact CZ-CB 4.02Å; W239-C331 HydrophobicContact CH2-CB 4.35Å; W239-C331 HydrophobicContact CZ2-CB 3.44Å; W239-C331 VanDerWaalsContact CZ2-CB 3.44Å; F265-C331 HydrophobicContact CD1-CB 3.87Å; F265-C331 WeakPolarHBondContact CD1-SG 3.41Å; F265-C331 HydrophobicContact CD2-CB 4.21Å; F265-C331 HydrophobicContact CE1-CB 3.8Å; F265-C331 HydrophobicContact CE2-CB 4.16Å; F265-C331 HydrophobicContact CG-CB 4.08Å; F265-C331 HydrophobicContact CZ-CB 3.95Å; C331-A339 VanDerWaalsContact O-CA 3.32Å; C331-A339 WeakPolarHBondContact O-CA 3.47Å; C331-C340 PolarHBondContact N-O 2.92Å; C331-C340 PolarHBondContact O-N 3.25Å; C331-C340 VanDerWaalsContact O-N 3.13Å
332	V	90.9	Very high	90.4	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.006	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	128.5	-175.4	-173.9	0	0	0	0	108.3	F269 R285 Q330 A339	F269-V332 HydrophobicContact CD2-CB 4.08Å; F269-V332 HydrophobicContact CD2-CG1 4.23Å; F269-V332 HydrophobicContact CE2-CB 4.1Å; F269-V332 HydrophobicContact CE2-CG1 3.81Å; R285-V332 HydrophobicContact CB-CG1 4.14Å; R285-V332 VanDerWaalsContact CZ-CG1 3.41Å; Q330-V332 HydrophobicContact CG-CG2 3.81Å; V332-A339 HydrophobicContact CG1-CB 4.41Å; V332-A339 HydrophobicContact CG2-CB 4.26Å
333	S	90.1	Very high	91	Very high	2 Å²	2	8.1 Å²	8.1	1%	0.014	4%	0.038	C	C	.	.			trans	-70.4	128	169	175.1	0	0	0	0	110	G336 L338	S333-G336 PolarHBondContact OG-N 3.27Å; S333-L338 WeakPolarHBondContact CB-O 3.34Å; S333-L338 PolarHBondContact N-O 3.5Å
334	P	80.9	Confident	91.3	Very high	12 Å²	12	7.2 Å²	7.2	8%	0.078	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-38.6	-174.6	24.9	-32.1	0	0	0	113.4	Y268 F269 M273	Y268-P334 VanDerWaalsContact CE1-CD 3.48Å; Y268-P334 HydrophobicContact CE1-CG 4.48Å; F269-P334 HydrophobicContact CD2-CB 4.01Å; F269-P334 HydrophobicContact CE2-CB 4.43Å; F269-P334 HydrophobicContact CG-CB 4.38Å; M273-P334 HydrophobicContact CG-CB 4.21Å; M273-P334 HydrophobicContact SD-CB 4.27Å
335	K	78	Confident	91.4	Very high	99 Å²	99	7.3 Å²	7.3	43%	0.43	4%	0.035	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	38.4	-179.8	-62.5	-171.8	-179.6	-174	0	111.6	G272 S275	G272-K335 WeakPolarHBondContact O-CE 3.39Å; S275-K335 PolarHBondContact O-NZ 3.26Å; S275-K335 WeakPolarHBondContact OG-CE 3.37Å; S275-K335 PolarHBondContact OG-NZ 3.46Å
336	G	84	Confident	91.4	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.033	C	C	.	.	S	Bend	trans	-161	166.4	-171.6	0	0	0	0	0	113.6	R285 S333 L338 S434 G436	R285-G336 PolarHBondContact NH1-O 3.4Å; R285-G336 PolarHBondContact NH2-O 2.95Å; S333-G336 PolarHBondContact OG-N 3.27Å; G336-L338 VanDerWaalsContact C-N 3.32Å; G336-L338 PolarHBondContact O-N 2.66Å; G336-S434 WeakPolarHBondContact CA-O 3.47Å; G336-G436 WeakPolarHBondContact O-CA 3.38Å
337	P	90	Very high	91	Very high	4 Å²	4	6.9 Å²	6.9	3%	0.026	3%	0.033	C	C	.	.	S	Bend	trans	-80.4	-12.1	-175.7	30.6	-34.7	0	0	0	114.2	L227 A339 V432 V450	L227-P337 HydrophobicContact CD1-CG 3.97Å; L227-P337 HydrophobicContact CD2-CG 4.41Å; P337-A339 PolarHBondContact O-N 3.17Å; P337-V432 HydrophobicContact CB-CB 4.11Å; P337-V432 HydrophobicContact CB-CG1 4.09Å; P337-V450 HydrophobicContact CB-CB 3.67Å; P337-V450 HydrophobicContact CB-CG1 4Å; P337-V450 HydrophobicContact CB-CG2 4.14Å; P337-V450 HydrophobicContact CG-CB 3.99Å; P337-V450 HydrophobicContact CG-CG1 4.4Å; P337-V450 HydrophobicContact CG-CG2 3.87Å
338	L	93.6	Very high	90.3	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	4%	0.038	C	C	.	.			trans	-71.3	125.6	-172.7	-59.2	177.2	0	0	0	112	L227 D231 L232 F235 R285 S333 G336 L502	L227-L338 HydrophobicContact CD1-CD1 4.14Å; L227-L338 HydrophobicContact CD1-CD2 4.38Å; L227-L338 HydrophobicContact CD1-CG 4.04Å; L227-L338 HydrophobicContact CD2-CD2 4.45Å; D231-L338 HydrophobicContact CB-CD1 4.32Å; L232-L338 HydrophobicContact CB-CD1 4.15Å; L232-L338 HydrophobicContact CD1-CD1 4.05Å; F235-L338 HydrophobicContact CB-CD1 4.14Å; F235-L338 HydrophobicContact CD2-CB 4.13Å; F235-L338 HydrophobicContact CE2-CB 4.25Å; F235-L338 HydrophobicContact CG-CB 4.37Å; F235-L338 HydrophobicContact CG-CD1 4.29Å; R285-L338 PolarHBondContact NH2-O 3.42Å; S333-L338 WeakPolarHBondContact CB-O 3.34Å; S333-L338 PolarHBondContact N-O 3.5Å; G336-L338 VanDerWaalsContact C-N 3.32Å; G336-L338 PolarHBondContact O-N 2.66Å; L338-L502 HydrophobicContact CD2-CB 4.16Å; L338-L502 HydrophobicContact CD2-CD1 3.93Å
339	A	93.1	Very high	89.7	Confident	3 Å²	3	7.8 Å²	7.8	3%	0.025	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	139.2	167.2	0	0	0	0	0	109.6	C331 V332 P337 S478	C331-A339 VanDerWaalsContact O-CA 3.32Å; C331-A339 WeakPolarHBondContact O-CA 3.47Å; V332-A339 HydrophobicContact CG1-CB 4.41Å; V332-A339 HydrophobicContact CG2-CB 4.26Å; P337-A339 PolarHBondContact O-N 3.17Å; A339-S478 PolarHBondContact N-OG 3.19Å; A339-S478 PolarHBondContact O-OG 2.75Å
340	C	95.1	Very high	89.1	Confident	0 Å²	0	8 Å²	8	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	150.4	168.8	67.6	0	0	0	0	111.1	W239 Q330 C331 S476 T503	W239-C340 WeakPolarHBondContact CZ2-O 3.13Å; W239-C340 WeakPolarHBondContact CZ2-SG 3.37Å; Q330-C340 WeakPolarHBondContact CA-O 3.27Å; C331-C340 PolarHBondContact N-O 2.92Å; C331-C340 PolarHBondContact O-N 3.25Å; C331-C340 VanDerWaalsContact O-N 3.13Å; C340-S476 WeakPolarHBondContact CA-OG 2.98Å; C340-S476 WeakPolarHBondContact CB-O 3.4Å; C340-T503 HydrophobicContact CB-CG2 3.98Å
341	S	95.2	Very high	88.5	Confident	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.9	-178.8	-42.4	0	0	0	0	108.3	A329 Q330 S476	A329-S341 CarbonylContact O-C 3.58Å; A329-S341 WeakPolarHBondContact O-CA 3.21Å; Q330-S341 WeakPolarHBondContact CG-OG 3.27Å; Q330-S341 PolarHBondContact OE1-OG 3.34Å; S341-S476 VanDerWaalsContact CB-OG 3.26Å; S341-S476 WeakPolarHBondContact CB-OG 3.45Å; S341-S476 PolarHBondContact N-OG 3.08Å; S341-S476 PolarHBondContact O-N 2.87Å; S341-S476 PolarHBondContact OG-OG 3.22Å
342	R	95.5	Very high	87.7	Confident	0 Å²	0	8 Å²	8	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	145.9	-174.2	-63.2	-75.7	-176.9	-86.8	3	109.3	W239 A329 Y344 S476 E477 T503 V506 P507	W239-R342 HydrophobicContact CH2-CB 4.13Å; W239-R342 HydrophobicContact CH2-CG 3.79Å; W239-R342 HydrophobicContact CZ2-CG 4.41Å; W239-R342 HydrophobicContact CZ3-CB 4.33Å; W239-R342 HydrophobicContact CZ3-CG 4.12Å; A329-R342 PolarHBondContact N-O 3.16Å; A329-R342 PolarHBondContact O-N 3.39Å; R342-Y344 HydrophobicContact CB-CD1 4.45Å; R342-Y344 HydrophobicContact CB-CD2 4.44Å; R342-Y344 HydrophobicContact CB-CE1 3.81Å; R342-Y344 HydrophobicContact CB-CE2 3.8Å; R342-Y344 VanDerWaalsContact CB-CZ 3.44Å; R342-Y344 HydrophobicContact CG-CE1 4.31Å; R342-Y344 WeakPolarHBondContact CG-OH 3.14Å; R342-S476 PolarHBondContact NH1-O 2.8Å; R342-E477 IonicContact CZ-OE2 2.77Å; R342-E477 IonicContact NH1-OE2 3.56Å; R342-E477 VanDerWaalsContact NH2-CD 3.3Å; R342-E477 IonicContact NH2-OE1 3.85Å; R342-E477 PolarHBondContact NH2-OE1 3.46Å; R342-E477 IonicContact NH2-OE2 3.19Å; R342-E477 PolarHBondContact NH2-OE2 2.76Å; R342-T503 PolarHBondContact NH2-O 3.22Å; R342-V506 HydrophobicContact CG-CG1 4.44Å; R342-V506 PolarHBondContact NH2-O 3.37Å; R342-P507 WeakPolarHBondContact CD-O 3.5Å; R342-P507 PolarHBondContact NE-O 2.95Å
343	T	96.1	Very high	87.1	Confident	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.9	167.2	-58.1	0	0	0	0	108.7	H326 M327 F345 Y374 V473 V474	H326-T343 HydrophobicContact CB-CG2 4.24Å; M327-T343 VanDerWaalsContact O-CA 3.29Å; M327-T343 WeakPolarHBondContact O-CA 3.47Å; T343-F345 HydrophobicContact CG2-CE1 4.23Å; T343-F345 HydrophobicContact CG2-CZ 4.08Å; T343-Y374 VanDerWaalsContact CB-CE2 3.46Å; T343-Y374 HydrophobicContact CG2-CD2 4.43Å; T343-Y374 PolarHBondContact N-OH 2.78Å; T343-Y374 VanDerWaalsContact N-OH 3.14Å; T343-Y374 WeakPolarHBondContact O-CE1 3.1Å; T343-V473 HydrophobicContact CG2-CB 4.33Å; T343-V473 HydrophobicContact CG2-CG1 4.09Å; T343-V474 PolarHBondContact N-O 3.23Å; T343-V474 PolarHBondContact OG1-N 3.28Å; T343-V474 PolarHBondContact OG1-O 3.48Å
344	Y	94.2	Very high	86.3	Confident	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	161.3	178.2	-55.8	-52.5	0	0	0	111.3	W239 F242 F243 H326 M327 R342 P507 C510 W512	W239-Y344 AromaticContact CZ3-CE2 3.86Å; W239-Y344 HydrophobicContact CZ3-CE2 3.86Å; F242-Y344 HydrophobicContact CE1-CD2 4.03Å; F242-Y344 AromaticContact CE1-CE2 3.83Å; F242-Y344 HydrophobicContact CE1-CE2 3.83Å; F243-Y344 HydrophobicContact CE1-CD2 4.38Å; F243-Y344 HydrophobicContact CE1-CE1 4.35Å; F243-Y344 AromaticContact CE1-CE2 3.64Å; F243-Y344 HydrophobicContact CE1-CE2 3.64Å; F243-Y344 AromaticContact CE1-CZ 3.62Å; F243-Y344 HydrophobicContact CZ-CE2 4.19Å; F243-Y344 AromaticContact CZ-CZ 3.78Å; F243-Y344 VanDerWaalsContact CZ-OH 3.29Å; F243-Y344 WeakPolarHBondContact CZ-OH 3.17Å; H326-Y344 CarbonylContact C-O 3.58Å; H326-Y344 WeakPolarHBondContact CA-O 3.47Å; H326-Y344 VanDerWaalsContact CB-O 3.26Å; H326-Y344 WeakPolarHBondContact CB-O 3.49Å; M327-Y344 HydrophobicContact CE-CD2 4.12Å; M327-Y344 PolarHBondContact N-O 2.82Å; M327-Y344 PolarHBondContact O-N 2.61Å; R342-Y344 HydrophobicContact CB-CD1 4.45Å; R342-Y344 HydrophobicContact CB-CD2 4.44Å; R342-Y344 HydrophobicContact CB-CE1 3.81Å; R342-Y344 HydrophobicContact CB-CE2 3.8Å; R342-Y344 VanDerWaalsContact CB-CZ 3.44Å; R342-Y344 HydrophobicContact CG-CE1 4.31Å; R342-Y344 WeakPolarHBondContact CG-OH 3.14Å; Y344-P507 WeakPolarHBondContact CE1-O 3.43Å; Y344-P507 PolarHBondContact OH-O 3.34Å; Y344-P507 VanDerWaalsContact OH-O 3.07Å; Y344-C510 WeakPolarHBondContact CB-O 3.27Å; Y344-C510 HydrophobicContact CD1-CB 3.49Å; Y344-C510 VanDerWaalsContact CD1-CB 3.49Å; Y344-C510 HydrophobicContact CE1-CB 3.76Å; Y344-C510 HydrophobicContact CG-CB 4.05Å; Y344-W512 HydrophobicContact CD2-CH2 4.17Å; Y344-W512 HydrophobicContact CD2-CZ3 4.39Å; Y344-W512 HydrophobicContact CG-CH2 4.26Å; Y344-W512 HydrophobicContact CG-CZ3 4.18Å
345	F	92.4	Very high	85.6	Confident	2 Å²	2	13.8 Å²	13.8	1%	0.009	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	143.7	-167.5	-55.3	-81.3	0	0	0	113.2	H326 T343 T349 I367 L370 S371 Y374 F509 C510 S511 W512	H326-F345 HydrophobicContact CB-CD1 3.87Å; H326-F345 HydrophobicContact CB-CE1 4.15Å; T343-F345 HydrophobicContact CG2-CE1 4.23Å; T343-F345 HydrophobicContact CG2-CZ 4.08Å; F345-T349 HydrophobicContact CB-CG2 4.29Å; F345-T349 HydrophobicContact CD2-CG2 4.32Å; F345-T349 HydrophobicContact CG-CG2 4.37Å; F345-I367 HydrophobicContact CB-CG2 4.04Å; F345-I367 HydrophobicContact CD1-CG2 4.23Å; F345-I367 HydrophobicContact CG-CG2 4.36Å; F345-L370 HydrophobicContact CD1-CB 4.41Å; F345-L370 HydrophobicContact CE1-CB 3.78Å; F345-S371 VanDerWaalsContact CZ-CA 3.45Å; F345-Y374 AromaticContact CE2-CD1 3.85Å; F345-Y374 HydrophobicContact CE2-CD1 3.85Å; F345-Y374 HydrophobicContact CE2-CE1 4.45Å; F345-Y374 AromaticContact CZ-CD1 3.89Å; F345-Y374 HydrophobicContact CZ-CD1 3.89Å; F345-Y374 HydrophobicContact CZ-CG 4.15Å; F345-F509 HydrophobicContact CE2-CD1 4.46Å; F345-C510 PolarHBondContact N-O 3.19Å; F345-C510 VanDerWaalsContact N-O 3.09Å; F345-S511 WeakPolarHBondContact O-CA 3.39Å; F345-W512 PolarHBondContact O-N 3.08Å; F345-W512 VanDerWaalsContact O-N 3.07Å
346	F	89.4	Confident	84.9	Confident	0 Å²	0	10.8 Å²	10.8	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	99	173.3	-66.5	-55.4	0	0	0	107.9	F246 F291 V314 A324 K325 M327 I367 W512 V514	F246-F346 AromaticContact CD1-CE1 3.9Å; F246-F346 HydrophobicContact CD1-CE1 3.9Å; F246-F346 HydrophobicContact CD1-CZ 4.43Å; F246-F346 AromaticContact CE1-CE1 3.77Å; F246-F346 HydrophobicContact CE1-CE1 3.77Å; F246-F346 AromaticContact CE1-CZ 3.82Å; F246-F346 HydrophobicContact CE1-CZ 3.82Å; F291-F346 HydrophobicContact CD1-CE2 4.11Å; F291-F346 HydrophobicContact CD1-CZ 4.33Å; F291-F346 HydrophobicContact CE1-CE2 4.38Å; F291-F346 HydrophobicContact CE1-CZ 4.14Å; F291-F346 HydrophobicContact CG-CE2 4.48Å; V314-F346 HydrophobicContact CG1-CD1 4.32Å; V314-F346 HydrophobicContact CG1-CD2 4.26Å; V314-F346 HydrophobicContact CG1-CE2 4.43Å; V314-F346 HydrophobicContact CG1-CG 4.21Å; V314-F346 HydrophobicContact CG2-CE1 4.28Å; V314-F346 HydrophobicContact CG2-CE2 4.24Å; V314-F346 HydrophobicContact CG2-CZ 3.94Å; A324-F346 HydrophobicContact CB-CD2 4Å; A324-F346 HydrophobicContact CB-CE2 4.3Å; A324-F346 WeakPolarHBondContact O-CB 3.34Å; K325-F346 PolarHBondContact O-N 3.23Å; M327-F346 HydrophobicContact CB-CE2 3.81Å; M327-F346 HydrophobicContact CB-CZ 4.11Å; M327-F346 HydrophobicContact CE-CE1 3.78Å; M327-F346 HydrophobicContact CE-CZ 3.66Å; M327-F346 HydrophobicContact CG-CE2 4.14Å; M327-F346 HydrophobicContact CG-CZ 4.04Å; M327-F346 HydrophobicContact SD-CE1 4.43Å; M327-F346 HydrophobicContact SD-CE2 4.36Å; M327-F346 HydrophobicContact SD-CZ 3.71Å; F346-I367 WeakPolarHBondContact O-CD1 3.1Å; F346-W512 HydrophobicContact CD1-CE3 4.5Å; F346-W512 HydrophobicContact CE1-CE3 4.41Å; F346-V514 HydrophobicContact CB-CG2 3.65Å; F346-V514 HydrophobicContact CD1-CG2 3.97Å; F346-V514 HydrophobicContact CG-CG2 4.24Å
347	G	84.9	Confident	83.5	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	122.6	177.2	-179.6	0	0	0	0	0	113	W512 E518	G347-W512 WeakPolarHBondContact CA-O 3.33Å; G347-W512 PolarHBondContact N-O 3.37Å; G347-E518 WeakPolarHBondContact CA-OE2 3.13Å
348	A	79.7	Confident	81.7	Confident	12 Å²	12	21.4 Å²	21.4	10%	0.099	14%	0.138	C	C	.	.			trans	-69.9	134.3	-177.4	0	0	0	0	0	112.5	L513 E518	A348-L513 HydrophobicContact CB-CD2 3.94Å; A348-E518 PolarHBondContact N-OE2 3.27Å
349	T	80.6	Confident	79.9	Confident	6 Å²	6	31.1 Å²	31.1	4%	0.037	18%	0.18	C	C	.	.	S	Bend	trans	-91.8	-12.7	175.4	60.4	0	0	0	0	113.1	F345 I367	F345-T349 HydrophobicContact CB-CG2 4.29Å; F345-T349 HydrophobicContact CD2-CG2 4.32Å; F345-T349 HydrophobicContact CG-CG2 4.37Å; T349-I367 HydrophobicContact CG2-CG2 4.19Å
350	H	82.5	Confident	78.2	Confident	4 Å²	4	33 Å²	33	2%	0.019	19%	0.189	C	C	.	.	S	Bend	trans	-140.5	167.1	177.4	68.4	-68.3	0	0	0	110.5	H576 S578 H614	H350-H576 AromaticContact CE1-CD2 3.97Å; H350-H576 PolarHBondContact CE1-O 2.96Å; H350-S578 PolarHBondContact NE2-O 3.34Å; H350-H614 PolarHBondContact CD2-O 2.82Å
351	V	79.3	Confident	76.7	Confident	11 Å²	11	36.3 Å²	36.3	7%	0.067	21%	0.211	C	C	.	.			trans	-112.1	121	171.3	178.2	0	0	0	0	108.8	Y353 L360 T364 H614	V351-Y353 PolarHBondContact O-N 3.07Å; V351-L360 HydrophobicContact CG2-CD1 4.09Å; V351-L360 HydrophobicContact CG2-CD2 4.3Å; V351-L360 HydrophobicContact CG2-CG 3.78Å; V351-T364 HydrophobicContact CG2-CG2 3.94Å; V351-H614 VanDerWaalsContact O-CA 3.23Å; V351-H614 WeakPolarHBondContact O-CA 3.29Å; V351-H614 WeakPolarHBondContact O-CB 3.17Å; V351-H614 PolarHBondContact O-ND1 3.4Å
352	P	76.6	Confident	75	Confident	11 Å²	11	44.4 Å²	44.4	7%	0.071	25%	0.246	C	C	.	.			trans	-55.7	139.8	177.4	-20.9	29.9	0	0	0	111.5	L354 T525 S578	P352-L354 PolarHBondContact O-N 2.99Å; P352-T525 HydrophobicContact CB-CG2 3.96Å; P352-S578 WeakPolarHBondContact CG-O 3.36Å
353	Y	77.4	Confident	73.5	Confident	31 Å²	31	49.1 Å²	49.1	12%	0.122	27%	0.267	C	S	.	.			trans	-68.9	125.3	175.7	178.9	-106.3	0	0	0	110.6	V351 F535 I580 H585 H614	V351-Y353 PolarHBondContact O-N 3.07Å; Y353-F535 HydrophobicContact CD1-CD2 4.46Å; Y353-F535 AromaticContact CD1-CE2 3.8Å; Y353-F535 HydrophobicContact CD1-CE2 3.8Å; Y353-F535 HydrophobicContact CE1-CD2 4.21Å; Y353-F535 HydrophobicContact CE1-CE2 4.01Å; Y353-F535 VanDerWaalsContact O-CZ 3.31Å; Y353-F535 WeakPolarHBondContact O-CZ 3.35Å; Y353-I580 HydrophobicContact CD1-CG2 4.35Å; Y353-I580 WeakPolarHBondContact O-CD1 3.32Å; Y353-H585 AromaticContact CD1-NE2 3.97Å; Y353-H585 AromaticContact CD2-NE2 3.54Å; Y353-H585 AromaticContact CE1-NE2 3.76Å; Y353-H585 AromaticContact CE2-NE2 3.31Å; Y353-H585 VanDerWaalsContact CE2-NE2 3.31Å; Y353-H585 WeakPolarHBondContact CE2-NE2 3.01Å; Y353-H585 AromaticContact CG-NE2 3.86Å; Y353-H585 AromaticContact CZ-NE2 3.4Å; Y353-H614 AromaticContact CD2-CD2 3.92Å; Y353-H614 AromaticContact CD2-NE2 3.73Å
354	L	73.1	Confident	72.3	Confident	64 Å²	64	49.6 Å²	49.6	34%	0.335	27%	0.27	S	S	.	.			trans	-119.2	25	-176.1	-71.2	174.8	0	0	0	113.4	P352 L521 T525	P352-L354 PolarHBondContact O-N 2.99Å; L354-L521 HydrophobicContact CD1-CD1 3.96Å; L354-T525 HydrophobicContact CD2-CG2 3.88Å
355	G	66.3	Low	71.5	Confident	41 Å²	41	53 Å²	53	42%	0.423	29%	0.286	S	S	.	.	S	Bend	trans	83.5	9.1	176.2	0	0	0	0	0	115.8
356	G	64.1	Low	71.1	Confident	36 Å²	36	54.3 Å²	54.3	37%	0.371	29%	0.292	S	S	.	.	S	Bend	trans	-166.6	168.7	175.1	0	0	0	0	0	114.3	S358	G356-S358 VanDerWaalsContact C-N 3.31Å; G356-S358 PolarHBondContact O-N 3.37Å
357	D	53.5	Low	70.9	Confident	167 Å²	167	54.3 Å²	54.3	89%	0.893	29%	0.292	S	S	*	.			trans	-75.6	73.2	179.8	-72.6	-21.7	0	0	0	111.8	K359	D357-K359 PolarHBondContact O-N 3.16Å
358	S	53.8	Low	71	Confident	61 Å²	61	57 Å²	57	43%	0.427	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-73.7	123.9	170.5	59.2	0	0	0	0	110.4	G356 L360	G356-S358 VanDerWaalsContact C-N 3.31Å; G356-S358 PolarHBondContact O-N 3.37Å; S358-L360 PolarHBondContact O-N 3.17Å
359	K	55.7	Low	71.3	Confident	204 Å²	204	56.8 Å²	56.8	89%	0.887	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-58.1	134.3	173.3	-72.8	-175.5	176.4	-178.8	0	110.9	D357	D357-K359 PolarHBondContact O-N 3.16Å
360	L	57.7	Low	71.8	Confident	42 Å²	42	56.5 Å²	56.5	22%	0.22	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-61.3	139.8	177.7	-102.6	77.5	0	0	0	111.3	V351 S358 K362 T364 E365	V351-L360 HydrophobicContact CG2-CD1 4.09Å; V351-L360 HydrophobicContact CG2-CD2 4.3Å; V351-L360 HydrophobicContact CG2-CG 3.78Å; S358-L360 PolarHBondContact O-N 3.17Å; L360-K362 PolarHBondContact O-N 2.93Å; L360-T364 HydrophobicContact CD2-CG2 4.5Å; L360-E365 HydrophobicContact CB-CG 3.92Å; L360-E365 HydrophobicContact CD2-CG 3.98Å
361	P	62.1	Low	72.2	Confident	70 Å²	70	56.4 Å²	56.4	46%	0.455	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-62.9	132.4	164.7	-17.4	30.2	0	0	0	110.3	K363 T364 E365	P361-K363 PolarHBondContact O-N 3.37Å; P361-T364 WeakPolarHBondContact O-CB 3.29Å; P361-T364 PolarHBondContact O-N 2.89Å; P361-E365 PolarHBondContact O-N 3.27Å
362	K	59.7	Low	72.8	Confident	171 Å²	171	56.8 Å²	56.8	74%	0.743	30%	0.298	S	S	*	.	H	α-helix	trans	-50.7	-30.2	179.1	-70.6	-173.1	175.4	-172	0	114.5	L360 E365	L360-K362 PolarHBondContact O-N 2.93Å; K362-E365 PolarHBondContact O-N 2.92Å
363	K	64	Low	73.6	Confident	99 Å²	99	56.3 Å²	56.3	43%	0.43	30%	0.295	S	S	.	.	H	α-helix	trans	-69.8	-39.5	177.7	-67.4	178.5	176.2	-178.3	0	112.5	P361 E365 Q366 I367 E515	P361-K363 PolarHBondContact O-N 3.37Å; K363-E365 VanDerWaalsContact C-N 3.26Å; K363-E365 PolarHBondContact O-N 3.23Å; K363-Q366 PolarHBondContact O-N 2.78Å; K363-I367 PolarHBondContact O-N 3.14Å; K363-E515 IonicContact NZ-OE1 3.83Å; K363-E515 PolarHBondContact NZ-OE1 2.97Å; K363-E515 IonicContact NZ-OE2 2.9Å
364	T	71.4	Confident	74.4	Confident	9 Å²	9	54.9 Å²	54.9	6%	0.055	29%	0.289	C	S	.	.	H	α-helix	trans	-69.2	-28.5	176.8	-47.2	0	0	0	0	110.7	V351 L360 P361 R368	V351-T364 HydrophobicContact CG2-CG2 3.94Å; L360-T364 HydrophobicContact CD2-CG2 4.5Å; P361-T364 WeakPolarHBondContact O-CB 3.29Å; P361-T364 PolarHBondContact O-N 2.89Å; T364-R368 WeakPolarHBondContact O-CB 3.46Å; T364-R368 PolarHBondContact O-N 3.29Å
365	E	77.6	Confident	75.3	Confident	73 Å²	73	52 Å²	52	34%	0.341	28%	0.275	S	S	.	.	H	α-helix	trans	-65.5	-37.2	173.7	-63.1	-178.5	156.3	0	0	112.8	L360 P361 K362 K363 L369 L464	L360-E365 HydrophobicContact CB-CG 3.92Å; L360-E365 HydrophobicContact CD2-CG 3.98Å; P361-E365 PolarHBondContact O-N 3.27Å; K362-E365 PolarHBondContact O-N 2.92Å; K363-E365 VanDerWaalsContact C-N 3.26Å; K363-E365 PolarHBondContact O-N 3.23Å; E365-L369 VanDerWaalsContact O-CB 3.29Å; E365-L369 WeakPolarHBondContact O-CB 3.43Å; E365-L369 PolarHBondContact O-N 3.48Å; E365-L464 HydrophobicContact CB-CD1 3.57Å
366	Q	83.2	Confident	76.5	Confident	29 Å²	29	50 Å²	50	14%	0.136	26%	0.255	C	S	.	.	H	α-helix	trans	-67.3	-43.8	176.5	-72.7	-179.7	-29.1	0	0	112.6	K363 L369 L370 D462 L464	K363-Q366 PolarHBondContact O-N 2.78Å; Q366-L369 WeakPolarHBondContact O-CB 3.18Å; Q366-L369 PolarHBondContact O-N 3.23Å; Q366-L370 WeakPolarHBondContact O-CG 3.45Å; Q366-L370 PolarHBondContact O-N 3.05Å; Q366-D462 VanDerWaalsContact NE2-CG 3.25Å; Q366-D462 PolarHBondContact NE2-OD1 3.2Å; Q366-D462 PolarHBondContact NE2-OD2 2.82Å; Q366-L464 HydrophobicContact CG-CD1 3.83Å
367	I	86.4	Confident	78	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.1	-43.8	177.7	-63.1	166.5	0	0	0	109.8	K325 F345 F346 T349 K363 L369 L370 S371	K325-I367 HydrophobicContact CB-CG1 4.11Å; K325-I367 HydrophobicContact CD-CD1 4.25Å; K325-I367 HydrophobicContact CD-CG1 4.02Å; K325-I367 HydrophobicContact CG-CG1 4.46Å; F345-I367 HydrophobicContact CB-CG2 4.04Å; F345-I367 HydrophobicContact CD1-CG2 4.23Å; F345-I367 HydrophobicContact CG-CG2 4.36Å; F346-I367 WeakPolarHBondContact O-CD1 3.1Å; T349-I367 HydrophobicContact CG2-CG2 4.19Å; K363-I367 PolarHBondContact O-N 3.14Å; I367-L369 VanDerWaalsContact C-N 3.35Å; I367-L369 PolarHBondContact O-N 2.76Å; I367-L370 PolarHBondContact O-N 2.9Å; I367-S371 WeakPolarHBondContact O-CB 3.35Å; I367-S371 PolarHBondContact O-N 3.29Å; I367-S371 PolarHBondContact O-OG 3.14Å
368	R	85.4	Confident	79.9	Confident	55 Å²	55	40.4 Å²	40.4	21%	0.208	20%	0.195	C	C	.	.	H	α-helix	trans	-58	-47.1	175.1	-175.2	176.3	174.2	-174.6	-1.8	111.2	T364 L370 S371 Q372 V617	T364-R368 WeakPolarHBondContact O-CB 3.46Å; T364-R368 PolarHBondContact O-N 3.29Å; R368-L370 PolarHBondContact O-N 2.69Å; R368-S371 WeakPolarHBondContact CA-OG 3.36Å; R368-S371 PolarHBondContact O-N 3.39Å; R368-S371 PolarHBondContact O-OG 2.86Å; R368-Q372 WeakPolarHBondContact O-CG 3.16Å; R368-Q372 PolarHBondContact O-N 3.06Å; R368-V617 HydrophobicContact CG-CG2 4.42Å
369	L	87.6	Confident	81.8	Confident	8 Å²	8	40.5 Å²	40.5	4%	0.042	19%	0.188	C	C	.	.	H	α-helix	trans	-56.2	-50.5	175.6	173.9	66.6	0	0	0	112.1	E365 Q366 I367 S371 Q372 I373 L414 L463 L464	E365-L369 VanDerWaalsContact O-CB 3.29Å; E365-L369 WeakPolarHBondContact O-CB 3.43Å; E365-L369 PolarHBondContact O-N 3.48Å; Q366-L369 WeakPolarHBondContact O-CB 3.18Å; Q366-L369 PolarHBondContact O-N 3.23Å; I367-L369 VanDerWaalsContact C-N 3.35Å; I367-L369 PolarHBondContact O-N 2.76Å; L369-S371 VanDerWaalsContact C-N 3.3Å; L369-S371 PolarHBondContact O-N 3.06Å; L369-Q372 PolarHBondContact O-N 3.1Å; L369-I373 HydrophobicContact CD1-CD1 4.22Å; L369-I373 HydrophobicContact CG-CD1 4.21Å; L369-I373 WeakPolarHBondContact O-CG1 3.4Å; L369-I373 PolarHBondContact O-N 3.21Å; L369-L414 HydrophobicContact CD1-CD1 3.87Å; L369-L414 HydrophobicContact CD1-CD2 3.35Å; L369-L414 HydrophobicContact CD1-CG 4.26Å; L369-L463 HydrophobicContact CD1-CD1 4.46Å; L369-L463 HydrophobicContact CD2-CB 3.93Å; L369-L463 HydrophobicContact CD2-CD1 4.04Å; L369-L463 HydrophobicContact CD2-CG 4.39Å; L369-L464 HydrophobicContact CD2-CG 4.47Å
370	L	90.9	Very high	83.7	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.8	-38.9	178	-70.9	170	0	0	0	111.8	K325 F345 Q366 I367 R368 I373 Y374 I460 L470 V473	K325-L370 HydrophobicContact CB-CD1 4.04Å; F345-L370 HydrophobicContact CD1-CB 4.41Å; F345-L370 HydrophobicContact CE1-CB 3.78Å; Q366-L370 WeakPolarHBondContact O-CG 3.45Å; Q366-L370 PolarHBondContact O-N 3.05Å; I367-L370 PolarHBondContact O-N 2.9Å; R368-L370 PolarHBondContact O-N 2.69Å; L370-I373 PolarHBondContact O-N 2.84Å; L370-Y374 WeakPolarHBondContact O-CB 3.22Å; L370-Y374 PolarHBondContact O-N 3.38Å; L370-I460 HydrophobicContact CD2-CD1 3.86Å; L370-I460 HydrophobicContact CD2-CG2 4.37Å; L370-L470 HydrophobicContact CD1-CB 4.49Å; L370-L470 HydrophobicContact CD1-CD1 4.48Å; L370-L470 HydrophobicContact CD2-CB 4.27Å; L370-L470 HydrophobicContact CD2-CD1 4.2Å; L370-L470 HydrophobicContact CG-CD1 4.29Å; L370-V473 HydrophobicContact CD2-CG1 4.34Å
371	S	90.9	Very high	85.5	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.014	14%	0.136	C	C	.	.	H	α-helix	trans	-67.5	-33.9	177.4	74.1	0	0	0	0	113.3	F345 I367 R368 L369 A375 V617	F345-S371 VanDerWaalsContact CZ-CA 3.45Å; I367-S371 WeakPolarHBondContact O-CB 3.35Å; I367-S371 PolarHBondContact O-N 3.29Å; I367-S371 PolarHBondContact O-OG 3.14Å; R368-S371 WeakPolarHBondContact CA-OG 3.36Å; R368-S371 PolarHBondContact O-N 3.39Å; R368-S371 PolarHBondContact O-OG 2.86Å; L369-S371 VanDerWaalsContact C-N 3.3Å; L369-S371 PolarHBondContact O-N 3.06Å; S371-A375 WeakPolarHBondContact O-CB 3.4Å; S371-A375 PolarHBondContact O-N 3.05Å; S371-V617 WeakPolarHBondContact OG-CG2 3.36Å
372	Q	91	Very high	87	Confident	20 Å²	20	26.9 Å²	26.9	9%	0.093	12%	0.123	C	C	.	.	H	α-helix	trans	-69	-43.8	173.2	-71.9	172.8	-40.3	0	0	111.9	R368 L369 Y374 A375 A376 F412 L414 V617	R368-Q372 WeakPolarHBondContact O-CG 3.16Å; R368-Q372 PolarHBondContact O-N 3.06Å; L369-Q372 PolarHBondContact O-N 3.1Å; Q372-Y374 VanDerWaalsContact C-N 3.33Å; Q372-Y374 PolarHBondContact O-N 3.48Å; Q372-A375 PolarHBondContact O-N 2.9Å; Q372-A376 PolarHBondContact O-N 3.13Å; Q372-F412 HydrophobicContact CB-CB 4.08Å; Q372-F412 HydrophobicContact CB-CD1 4.23Å; Q372-F412 HydrophobicContact CB-CD2 4.01Å; Q372-F412 HydrophobicContact CB-CG 3.85Å; Q372-F412 HydrophobicContact CG-CB 4.21Å; Q372-F412 HydrophobicContact CG-CD1 3.81Å; Q372-F412 HydrophobicContact CG-CD2 4.48Å; Q372-F412 HydrophobicContact CG-CE1 4.29Å; Q372-F412 HydrophobicContact CG-CG 3.92Å; Q372-L414 HydrophobicContact CB-CD1 4.07Å; Q372-V617 HydrophobicContact CG-CG1 4.02Å; Q372-V617 HydrophobicContact CG-CG2 3.99Å
373	I	92.8	Very high	88.7	Confident	1 Å²	1	20 Å²	20	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-60.4	-47	174.6	-63.6	168.8	0	0	0	109.5	L369 L370 A375 A376 V377 L409 L414 L421 I460 V473	L369-I373 HydrophobicContact CD1-CD1 4.22Å; L369-I373 HydrophobicContact CG-CD1 4.21Å; L369-I373 WeakPolarHBondContact O-CG1 3.4Å; L369-I373 PolarHBondContact O-N 3.21Å; L370-I373 PolarHBondContact O-N 2.84Å; I373-A375 PolarHBondContact O-N 2.78Å; I373-A376 PolarHBondContact O-N 3.06Å; I373-V377 HydrophobicContact CG2-CG2 4.48Å; I373-V377 VanDerWaalsContact O-CG2 3.31Å; I373-V377 WeakPolarHBondContact O-CG2 3.3Å; I373-V377 PolarHBondContact O-N 3.33Å; I373-L409 HydrophobicContact CG1-CD2 4.29Å; I373-L414 HydrophobicContact CG1-CD1 3.94Å; I373-L421 HydrophobicContact CD1-CD1 3.91Å; I373-L421 HydrophobicContact CD1-CD2 4.14Å; I373-L421 HydrophobicContact CG1-CD1 4.06Å; I373-I460 HydrophobicContact CD1-CD1 4.19Å; I373-I460 HydrophobicContact CD1-CG2 4.13Å; I373-I460 HydrophobicContact CG2-CD1 4.27Å; I373-V473 HydrophobicContact CG2-CG2 3.97Å
374	Y	94.4	Very high	90.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-64.3	-38.2	179.1	-180	-119	0	0	0	112.9	T343 F345 L370 Q372 A376 V377 I378 V473 V474 F475 R508 F509	T343-Y374 VanDerWaalsContact CB-CE2 3.46Å; T343-Y374 HydrophobicContact CG2-CD2 4.43Å; T343-Y374 PolarHBondContact N-OH 2.78Å; T343-Y374 VanDerWaalsContact N-OH 3.14Å; T343-Y374 WeakPolarHBondContact O-CE1 3.1Å; F345-Y374 AromaticContact CE2-CD1 3.85Å; F345-Y374 HydrophobicContact CE2-CD1 3.85Å; F345-Y374 HydrophobicContact CE2-CE1 4.45Å; F345-Y374 AromaticContact CZ-CD1 3.89Å; F345-Y374 HydrophobicContact CZ-CD1 3.89Å; F345-Y374 HydrophobicContact CZ-CG 4.15Å; L370-Y374 WeakPolarHBondContact O-CB 3.22Å; L370-Y374 PolarHBondContact O-N 3.38Å; Q372-Y374 VanDerWaalsContact C-N 3.33Å; Q372-Y374 PolarHBondContact O-N 3.48Å; Y374-A376 PolarHBondContact O-N 3.14Å; Y374-V377 WeakPolarHBondContact O-CB 3.3Å; Y374-V377 PolarHBondContact O-N 3.28Å; Y374-I378 HydrophobicContact CD1-CD1 3.8Å; Y374-I378 HydrophobicContact CE1-CD1 3.41Å; Y374-I378 VanDerWaalsContact CE1-CD1 3.41Å; Y374-I378 HydrophobicContact CE1-CG1 4.29Å; Y374-I378 HydrophobicContact CE2-CD1 4.19Å; Y374-I378 HydrophobicContact CE2-CG1 4.2Å; Y374-I378 HydrophobicContact CG-CD1 4.35Å; Y374-I378 WeakPolarHBondContact O-CG1 3.43Å; Y374-I378 PolarHBondContact O-N 3.39Å; Y374-V473 HydrophobicContact CD2-CB 4.49Å; Y374-V474 WeakPolarHBondContact CE2-O 3.29Å; Y374-F475 HydrophobicContact CD2-CB 4.47Å; Y374-F475 HydrophobicContact CE2-CB 3.8Å; Y374-F475 HydrophobicContact CE2-CD2 4.07Å; Y374-F475 HydrophobicContact CE2-CG 4.28Å; Y374-R508 WeakPolarHBondContact CE1-O 3.25Å; Y374-R508 PolarHBondContact OH-O 3.31Å; Y374-F509 AromaticContact CD1-CD1 3.89Å; Y374-F509 HydrophobicContact CD1-CD1 3.89Å; Y374-F509 AromaticContact CD1-CE1 3.57Å; Y374-F509 HydrophobicContact CD1-CE1 3.57Å; Y374-F509 HydrophobicContact CD1-CZ 4.26Å; Y374-F509 AromaticContact CE1-CD1 3.95Å; Y374-F509 HydrophobicContact CE1-CD1 3.95Å; Y374-F509 AromaticContact CE1-CE1 3.97Å; Y374-F509 HydrophobicContact CE1-CE1 3.97Å; Y374-F509 HydrophobicContact CE1-CG 4.46Å
375	A	92.2	Very high	91.4	Very high	3 Å²	3	15 Å²	15	3%	0.025	8%	0.075	C	C	.	.	H	α-helix	trans	-59.7	-44.8	172.9	0	0	0	0	0	112.3	S371 Q372 I373 V377 I378 E379 F412 F509 V617	S371-A375 WeakPolarHBondContact O-CB 3.4Å; S371-A375 PolarHBondContact O-N 3.05Å; Q372-A375 PolarHBondContact O-N 2.9Å; I373-A375 PolarHBondContact O-N 2.78Å; A375-V377 VanDerWaalsContact C-N 3.31Å; A375-V377 PolarHBondContact O-N 3Å; A375-I378 PolarHBondContact O-N 3.16Å; A375-E379 PolarHBondContact O-N 3.34Å; A375-E379 VanDerWaalsContact O-N 3.11Å; A375-F412 HydrophobicContact CB-CE2 3.98Å; A375-F412 HydrophobicContact CB-CZ 3.97Å; A375-F509 HydrophobicContact CB-CE1 4.22Å; A375-F509 HydrophobicContact CB-CZ 3.77Å; A375-V617 HydrophobicContact CB-CG1 3.86Å
376	A	92.6	Very high	92.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-64.5	-34.5	175.3	0	0	0	0	0	112.5	Q372 I373 Y374 A380 L405 L409 F412	Q372-A376 PolarHBondContact O-N 3.13Å; I373-A376 PolarHBondContact O-N 3.06Å; Y374-A376 PolarHBondContact O-N 3.14Å; A376-A380 VanDerWaalsContact O-CB 3.3Å; A376-A380 WeakPolarHBondContact O-CB 3.34Å; A376-A380 PolarHBondContact O-N 3.21Å; A376-L405 HydrophobicContact CB-CD1 3.86Å; A376-L409 HydrophobicContact CB-CD2 4.39Å; A376-F412 HydrophobicContact CB-CE2 4.44Å
377	V	95.3	Very high	92.7	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-66.7	-40.6	174.4	171.3	0	0	0	0	111.6	I373 Y374 A375 A380 V381 L405 M455 V457 V473 F475	I373-V377 HydrophobicContact CG2-CG2 4.48Å; I373-V377 VanDerWaalsContact O-CG2 3.31Å; I373-V377 WeakPolarHBondContact O-CG2 3.3Å; I373-V377 PolarHBondContact O-N 3.33Å; Y374-V377 WeakPolarHBondContact O-CB 3.3Å; Y374-V377 PolarHBondContact O-N 3.28Å; A375-V377 VanDerWaalsContact C-N 3.31Å; A375-V377 PolarHBondContact O-N 3Å; V377-A380 PolarHBondContact O-N 3.13Å; V377-V381 WeakPolarHBondContact O-CG2 3.16Å; V377-V381 PolarHBondContact O-N 2.84Å; V377-L405 HydrophobicContact CG2-CD1 3.79Å; V377-M455 HydrophobicContact CB-SD 4.48Å; V377-M455 HydrophobicContact CG1-CB 3.86Å; V377-M455 HydrophobicContact CG1-CG 3.96Å; V377-M455 HydrophobicContact CG1-SD 4.12Å; V377-M455 HydrophobicContact CG2-SD 4.29Å; V377-V457 HydrophobicContact CG2-CG2 3.74Å; V377-V473 HydrophobicContact CG2-CG2 4.21Å; V377-F475 HydrophobicContact CG1-CB 3.77Å
378	I	94.3	Very high	93	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-60.8	-50.4	175.9	-71.6	164.5	0	0	0	110.7	Y374 A375 A380 V381 V382 F475 R508 F509 Q554	Y374-I378 HydrophobicContact CD1-CD1 3.8Å; Y374-I378 HydrophobicContact CE1-CD1 3.41Å; Y374-I378 VanDerWaalsContact CE1-CD1 3.41Å; Y374-I378 HydrophobicContact CE1-CG1 4.29Å; Y374-I378 HydrophobicContact CE2-CD1 4.19Å; Y374-I378 HydrophobicContact CE2-CG1 4.2Å; Y374-I378 HydrophobicContact CG-CD1 4.35Å; Y374-I378 WeakPolarHBondContact O-CG1 3.43Å; Y374-I378 PolarHBondContact O-N 3.39Å; A375-I378 PolarHBondContact O-N 3.16Å; I378-A380 VanDerWaalsContact C-N 3.28Å; I378-A380 PolarHBondContact O-N 3.4Å; I378-V381 PolarHBondContact O-N 3.46Å; I378-V382 HydrophobicContact CG2-CG2 4.48Å; I378-V382 WeakPolarHBondContact O-CG2 3.35Å; I378-V382 PolarHBondContact O-N 2.93Å; I378-F475 HydrophobicContact CB-CD1 4.25Å; I378-F475 HydrophobicContact CB-CE1 4.18Å; I378-F475 HydrophobicContact CB-CZ 4.44Å; I378-F475 HydrophobicContact CD1-CD2 4.43Å; I378-F475 HydrophobicContact CD1-CE2 4.45Å; I378-F475 HydrophobicContact CG1-CB 4.39Å; I378-F475 HydrophobicContact CG1-CD1 3.87Å; I378-F475 HydrophobicContact CG1-CD2 3.7Å; I378-F475 HydrophobicContact CG1-CE1 4.01Å; I378-F475 HydrophobicContact CG1-CE2 3.85Å; I378-F475 HydrophobicContact CG1-CG 3.71Å; I378-F475 HydrophobicContact CG1-CZ 4Å; I378-F475 HydrophobicContact CG2-CE1 4.02Å; I378-F475 HydrophobicContact CG2-CZ 4.04Å; I378-R508 HydrophobicContact CD1-CB 4.11Å; I378-F509 HydrophobicContact CD1-CD2 3.95Å; I378-F509 HydrophobicContact CD1-CE1 4.02Å; I378-F509 HydrophobicContact CD1-CE2 3.3Å; I378-F509 HydrophobicContact CD1-CZ 3.35Å; I378-Q554 HydrophobicContact CG2-CB 3.89Å; I378-Q554 HydrophobicContact CG2-CG 3.95Å
379	E	92.4	Very high	93.3	Very high	63 Å²	63	11 Å²	11	29%	0.294	7%	0.069	S	C	.	.	H	α-helix	trans	-58.6	-42	177.9	-71.4	-179	-173.6	0	0	111.7	A375 V382 A383 T404	A375-E379 PolarHBondContact O-N 3.34Å; A375-E379 VanDerWaalsContact O-N 3.11Å; E379-V382 PolarHBondContact O-N 3.35Å; E379-A383 VanDerWaalsContact O-CB 3.25Å; E379-A383 WeakPolarHBondContact O-CB 3.42Å; E379-A383 PolarHBondContact O-N 3.04Å; E379-T404 HydrophobicContact CB-CG2 4.14Å
380	A	94.9	Very high	93.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.7	-45	177.8	0	0	0	0	0	113.3	A376 V377 I378 G384 A401 L405 M455	A376-A380 VanDerWaalsContact O-CB 3.3Å; A376-A380 WeakPolarHBondContact O-CB 3.34Å; A376-A380 PolarHBondContact O-N 3.21Å; V377-A380 PolarHBondContact O-N 3.13Å; I378-A380 VanDerWaalsContact C-N 3.28Å; I378-A380 PolarHBondContact O-N 3.4Å; A380-G384 PolarHBondContact O-N 3.38Å; A380-A401 HydrophobicContact CB-CB 4.49Å; A380-A401 VanDerWaalsContact CB-O 3.28Å; A380-A401 WeakPolarHBondContact CB-O 3.49Å; A380-A401 WeakPolarHBondContact O-CB 3.42Å; A380-L405 HydrophobicContact CB-CB 3.87Å; A380-M455 HydrophobicContact CB-CE 3.68Å; A380-M455 HydrophobicContact CB-SD 3.74Å
381	V	96.1	Very high	93.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.4	-45	177.9	171.3	0	0	0	0	111	V377 I378 A383 G384 I385 F427 A453 M455 F475	V377-V381 WeakPolarHBondContact O-CG2 3.16Å; V377-V381 PolarHBondContact O-N 2.84Å; I378-V381 PolarHBondContact O-N 3.46Å; V381-A383 VanDerWaalsContact C-N 3.34Å; V381-A383 PolarHBondContact O-N 3Å; V381-G384 CarbonylContact O-C 3.47Å; V381-G384 WeakPolarHBondContact O-CA 3.14Å; V381-G384 PolarHBondContact O-N 2.87Å; V381-G384 VanDerWaalsContact O-N 3.15Å; V381-I385 HydrophobicContact CG1-CD1 4.05Å; V381-I385 HydrophobicContact CG1-CG1 4.43Å; V381-I385 WeakPolarHBondContact O-CG1 3.31Å; V381-I385 PolarHBondContact O-N 3.02Å; V381-F427 HydrophobicContact CG2-CE2 4.4Å; V381-A453 HydrophobicContact CG1-CB 4Å; V381-M455 HydrophobicContact CG2-CB 3.34Å; V381-F475 HydrophobicContact CB-CD1 3.62Å; V381-F475 HydrophobicContact CB-CE1 3.88Å; V381-F475 HydrophobicContact CG1-CD1 3.89Å; V381-F475 HydrophobicContact CG1-CE1 3.89Å; V381-F475 HydrophobicContact CG2-CD1 3.79Å
382	V	94.1	Very high	93.3	Very high	30 Å²	30	23.3 Å²	23.3	18%	0.182	13%	0.134	C	C	.	.	H	α-helix	trans	-65.4	-38.7	-180	177.2	0	0	0	0	111.3	I378 E379 I385 A386 F475	I378-V382 HydrophobicContact CG2-CG2 4.48Å; I378-V382 WeakPolarHBondContact O-CG2 3.35Å; I378-V382 PolarHBondContact O-N 2.93Å; E379-V382 PolarHBondContact O-N 3.35Å; V382-I385 PolarHBondContact O-N 3.4Å; V382-A386 PolarHBondContact O-N 3.31Å; V382-F475 HydrophobicContact CG2-CE1 4.46Å
383	A	95	Very high	93.3	Very high	26 Å²	26	23.7 Å²	23.7	22%	0.215	14%	0.138	C	C	.	.	H	α-helix	trans	-64.4	-40.1	171.9	0	0	0	0	0	112.2	E379 V381 A386 C387 V400 T404	E379-A383 VanDerWaalsContact O-CB 3.25Å; E379-A383 WeakPolarHBondContact O-CB 3.42Å; E379-A383 PolarHBondContact O-N 3.04Å; V381-A383 VanDerWaalsContact C-N 3.34Å; V381-A383 PolarHBondContact O-N 3Å; A383-A386 PolarHBondContact O-N 3.31Å; A383-C387 WeakPolarHBondContact O-CB 3.49Å; A383-C387 PolarHBondContact O-N 3.33Å; A383-V400 HydrophobicContact CB-CG1 4.11Å; A383-T404 HydrophobicContact CB-CG2 3.98Å
384	G	96.1	Very high	93.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.4	-44.4	173.2	0	0	0	0	0	112.6	A380 V381 C387 Y388 A397	A380-G384 PolarHBondContact O-N 3.38Å; V381-G384 CarbonylContact O-C 3.47Å; V381-G384 WeakPolarHBondContact O-CA 3.14Å; V381-G384 PolarHBondContact O-N 2.87Å; V381-G384 VanDerWaalsContact O-N 3.15Å; G384-C387 PolarHBondContact O-N 3.05Å; G384-Y388 WeakPolarHBondContact O-CB 3.49Å; G384-Y388 PolarHBondContact O-N 3.04Å; G384-A397 WeakPolarHBondContact O-CB 3.35Å
385	I	95.2	Very high	93.2	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-60.6	-49.3	174.7	-68.4	171.2	0	0	0	110.4	V381 V382 C387 Y388 A389 A453 E477 F479 V501	V381-I385 HydrophobicContact CG1-CD1 4.05Å; V381-I385 HydrophobicContact CG1-CG1 4.43Å; V381-I385 WeakPolarHBondContact O-CG1 3.31Å; V381-I385 PolarHBondContact O-N 3.02Å; V382-I385 PolarHBondContact O-N 3.4Å; I385-C387 VanDerWaalsContact C-N 3.3Å; I385-C387 PolarHBondContact O-N 2.87Å; I385-Y388 PolarHBondContact O-N 3.28Å; I385-A389 WeakPolarHBondContact O-CB 3.38Å; I385-A389 PolarHBondContact O-N 3.12Å; I385-A453 HydrophobicContact CD1-CB 3.98Å; I385-A453 HydrophobicContact CG1-CB 3.6Å; I385-E477 HydrophobicContact CD1-CB 3.96Å; I385-F479 HydrophobicContact CD1-CD1 3.91Å; I385-F479 HydrophobicContact CD1-CE1 4.41Å; I385-F479 HydrophobicContact CD1-CG 4.27Å; I385-F479 HydrophobicContact CG1-CD1 3.85Å; I385-F479 HydrophobicContact CG1-CE1 3.89Å; I385-F479 HydrophobicContact CG1-CG 4.26Å; I385-F479 HydrophobicContact CG1-CZ 4.3Å; I385-F479 HydrophobicContact CG2-CB 4.22Å; I385-F479 HydrophobicContact CG2-CD1 4.21Å; I385-F479 HydrophobicContact CG2-CD2 3.61Å; I385-F479 HydrophobicContact CG2-CE2 3.93Å; I385-F479 HydrophobicContact CG2-CG 3.76Å; I385-F479 HydrophobicContact CG2-CZ 4.37Å; I385-V501 HydrophobicContact CD1-CG2 4.31Å; I385-V501 HydrophobicContact CG2-CG2 4.49Å
386	A	93.7	Very high	93.3	Very high	43 Å²	43	36.4 Å²	36.4	36%	0.355	20%	0.204	S	C	.	.	H	α-helix	trans	-62.5	-36.9	179.6	0	0	0	0	0	112.4	V382 A383 K390	V382-A386 PolarHBondContact O-N 3.31Å; A383-A386 PolarHBondContact O-N 3.31Å; A386-K390 WeakPolarHBondContact O-CG 3.44Å; A386-K390 PolarHBondContact O-N 2.85Å
387	C	94.9	Very high	93.5	Very high	19 Å²	19	36.4 Å²	36.4	13%	0.128	20%	0.204	C	C	.	.	H	α-helix	trans	-67.7	-45.8	174.1	-177.6	0	0	0	0	111.6	A383 G384 I385 A389 K390 T391 A397 V400	A383-C387 WeakPolarHBondContact O-CB 3.49Å; A383-C387 PolarHBondContact O-N 3.33Å; G384-C387 PolarHBondContact O-N 3.05Å; I385-C387 VanDerWaalsContact C-N 3.3Å; I385-C387 PolarHBondContact O-N 2.87Å; C387-A389 PolarHBondContact O-N 3.02Å; C387-K390 PolarHBondContact O-N 3.12Å; C387-T391 WeakPolarHBondContact O-CB 3.35Å; C387-T391 WeakPolarHBondContact O-CG2 3.42Å; C387-T391 PolarHBondContact O-N 3.44Å; C387-T391 PolarHBondContact O-OG1 3.1Å; C387-A397 HydrophobicContact CB-CB 4.48Å; C387-V400 HydrophobicContact CB-CB 4.08Å; C387-V400 HydrophobicContact CB-CG1 4.14Å; C387-V400 HydrophobicContact CB-CG2 4.14Å
388	Y	93.3	Very high	93.5	Very high	5 Å²	5	40.8 Å²	40.8	2%	0.02	22%	0.223	C	C	.	.	H	α-helix	trans	-61.7	-44.5	177.6	-174.6	-94.5	0	0	0	111.2	G384 I385 K390 T391 S392 A397 I429 K451 F479 T481	G384-Y388 WeakPolarHBondContact O-CB 3.49Å; G384-Y388 PolarHBondContact O-N 3.04Å; I385-Y388 PolarHBondContact O-N 3.28Å; Y388-K390 PolarHBondContact O-N 3.17Å; Y388-K390 VanDerWaalsContact O-N 3.16Å; Y388-T391 PolarHBondContact O-N 3Å; Y388-S392 VanDerWaalsContact O-CA 3.26Å; Y388-S392 WeakPolarHBondContact O-CA 3.08Å; Y388-S392 PolarHBondContact O-N 2.79Å; Y388-A397 HydrophobicContact CD2-CB 4.37Å; Y388-I429 HydrophobicContact CD2-CD1 3.79Å; Y388-I429 HydrophobicContact CG-CD1 3.79Å; Y388-K451 HydrophobicContact CE1-CD 4.25Å; Y388-F479 AromaticContact CD1-CE2 3.91Å; Y388-F479 HydrophobicContact CD1-CE2 3.91Å; Y388-F479 AromaticContact CD1-CZ 3.89Å; Y388-F479 HydrophobicContact CD1-CZ 3.89Å; Y388-F479 HydrophobicContact CE1-CZ 4.45Å; Y388-T481 HydrophobicContact CD1-CG2 4.38Å
389	A	91.5	Very high	93.6	Very high	7 Å²	7	46.7 Å²	46.7	6%	0.058	25%	0.25	C	S	.	.	H	α-helix	trans	-59.7	-27.4	177.4	0	0	0	0	0	113.6	I385 C387 T481 T497	I385-A389 WeakPolarHBondContact O-CB 3.38Å; I385-A389 PolarHBondContact O-N 3.12Å; C387-A389 PolarHBondContact O-N 3.02Å; A389-T481 HydrophobicContact CB-CG2 4.08Å; A389-T497 WeakPolarHBondContact O-CB 3.37Å; A389-T497 WeakPolarHBondContact O-CG2 3.39Å; A389-T497 PolarHBondContact O-OG1 3.43Å; A389-T497 VanDerWaalsContact O-OG1 3.1Å
390	K	90.5	Very high	93.8	Very high	158 Å²	158	45.9 Å²	45.9	69%	0.687	25%	0.25	S	C	*	.	H	α-helix	trans	-90.2	-30.5	178.1	-71.2	176.7	-179.3	-179.4	0	113.8	A386 C387 Y388	A386-K390 WeakPolarHBondContact O-CG 3.44Å; A386-K390 PolarHBondContact O-N 2.85Å; C387-K390 PolarHBondContact O-N 3.12Å; Y388-K390 PolarHBondContact O-N 3.17Å; Y388-K390 VanDerWaalsContact O-N 3.16Å
391	T	90.2	Very high	93.9	Very high	54 Å²	54	45.9 Å²	45.9	33%	0.331	25%	0.25	S	C	.	.	H	α-helix	trans	-115.1	-13.8	-168.7	63.4	0	0	0	0	114.1	C387 Y388 S393 K396	C387-T391 WeakPolarHBondContact O-CB 3.35Å; C387-T391 WeakPolarHBondContact O-CG2 3.42Å; C387-T391 PolarHBondContact O-N 3.44Å; C387-T391 PolarHBondContact O-OG1 3.1Å; Y388-T391 PolarHBondContact O-N 3Å; T391-S393 PolarHBondContact O-N 3.37Å; T391-S393 PolarHBondContact OG1-N 3.31Å; T391-K396 HydrophobicContact CG2-CD 4.02Å
392	S	88.4	Confident	93.9	Very high	56 Å²	56	49.3 Å²	49.3	39%	0.392	27%	0.266	S	S	.	.			trans	49.8	23.9	-170.3	-56.2	0	0	0	0	113.7	Y388	Y388-S392 VanDerWaalsContact O-CA 3.26Å; Y388-S392 WeakPolarHBondContact O-CA 3.08Å; Y388-S392 PolarHBondContact O-N 2.79Å
393	S	90.4	Very high	93.9	Very high	27 Å²	27	54.2 Å²	54.2	19%	0.189	29%	0.287	C	S	.	.			trans	-117.3	118.2	-171.3	175.5	0	0	0	0	111.1	T391 T395 K396 A397	T391-S393 PolarHBondContact O-N 3.37Å; T391-S393 PolarHBondContact OG1-N 3.31Å; S393-T395 VanDerWaalsContact C-N 3.34Å; S393-T395 PolarHBondContact O-N 3.21Å; S393-T395 PolarHBondContact OG-OG1 2.94Å; S393-K396 PolarHBondContact OG-N 3.31Å; S393-A397 WeakPolarHBondContact O-CB 3.35Å; S393-A397 PolarHBondContact O-N 3.4Å; S393-A397 VanDerWaalsContact O-N 3.09Å
394	L	92.3	Very high	93.9	Very high	69 Å²	69	54.7 Å²	54.7	36%	0.361	29%	0.287	S	S	.	.	H	α-helix	trans	-63.2	-39.5	176.8	176.5	63.2	0	0	0	112	A397 K398 F427 I429 L441	L394-A397 PolarHBondContact O-N 3.32Å; L394-K398 WeakPolarHBondContact O-CB 3.39Å; L394-K398 PolarHBondContact O-N 3.03Å; L394-F427 HydrophobicContact CD1-CE1 4.49Å; L394-I429 HydrophobicContact CD1-CB 3.88Å; L394-I429 HydrophobicContact CD1-CD1 4.13Å; L394-I429 HydrophobicContact CD1-CG1 3.9Å; L394-L441 HydrophobicContact CB-CD1 4.24Å; L394-L441 HydrophobicContact CD1-CD1 4.28Å; L394-L441 HydrophobicContact CD2-CD1 4.12Å; L394-L441 HydrophobicContact CG-CD1 4.44Å
395	T	94	Very high	93.8	Very high	92 Å²	92	54.8 Å²	54.8	56%	0.564	29%	0.288	S	S	*	.	H	α-helix	trans	-64.6	-48.8	-178.1	50.4	0	0	0	0	111.4	S393 A397 K398 E399	S393-T395 VanDerWaalsContact C-N 3.34Å; S393-T395 PolarHBondContact O-N 3.21Å; S393-T395 PolarHBondContact OG-OG1 2.94Å; T395-A397 PolarHBondContact O-N 3.47Å; T395-K398 WeakPolarHBondContact O-CB 3.38Å; T395-K398 PolarHBondContact O-N 3.47Å; T395-E399 WeakPolarHBondContact O-CG 3.46Å; T395-E399 PolarHBondContact O-N 2.5Å
396	K	94.8	Very high	93.6	Very high	110 Å²	110	54.6 Å²	54.6	48%	0.478	29%	0.287	S	S	.	.	H	α-helix	trans	-62.3	-42	175.8	-67.8	-178	179.1	177.9	0	112.2	T391 S393 K398 E399 V400	T391-K396 HydrophobicContact CG2-CD 4.02Å; S393-K396 PolarHBondContact OG-N 3.31Å; K396-K398 VanDerWaalsContact C-N 3.3Å; K396-K398 PolarHBondContact O-N 3.5Å; K396-E399 PolarHBondContact O-N 3.28Å; K396-V400 WeakPolarHBondContact O-CG2 3.39Å; K396-V400 PolarHBondContact O-N 3.21Å
397	A	95.5	Very high	93.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.1	-41	176.9	0	0	0	0	0	111.9	G384 C387 Y388 S393 L394 T395 A401 F427 I429	G384-A397 WeakPolarHBondContact O-CB 3.35Å; C387-A397 HydrophobicContact CB-CB 4.48Å; Y388-A397 HydrophobicContact CD2-CB 4.37Å; S393-A397 WeakPolarHBondContact O-CB 3.35Å; S393-A397 PolarHBondContact O-N 3.4Å; S393-A397 VanDerWaalsContact O-N 3.09Å; L394-A397 PolarHBondContact O-N 3.32Å; T395-A397 PolarHBondContact O-N 3.47Å; A397-A401 VanDerWaalsContact O-CB 3.3Å; A397-A401 WeakPolarHBondContact O-CB 3.48Å; A397-A401 PolarHBondContact O-N 3.27Å; A397-F427 HydrophobicContact CB-CE1 4.32Å; A397-I429 HydrophobicContact CB-CD1 4.07Å
398	K	96.4	Very high	93.2	Very high	92 Å²	92	54.8 Å²	54.8	40%	0.4	29%	0.286	S	S	.	.	H	α-helix	trans	-63.9	-46.6	175.6	-179	173.5	174.1	178.6	0	112.1	L394 T395 K396 V400 A401 E402 F427	L394-K398 WeakPolarHBondContact O-CB 3.39Å; L394-K398 PolarHBondContact O-N 3.03Å; T395-K398 WeakPolarHBondContact O-CB 3.38Å; T395-K398 PolarHBondContact O-N 3.47Å; K396-K398 VanDerWaalsContact C-N 3.3Å; K396-K398 PolarHBondContact O-N 3.5Å; K398-V400 PolarHBondContact O-N 2.87Å; K398-A401 PolarHBondContact O-N 2.83Å; K398-E402 WeakPolarHBondContact CE-OE1 3.25Å; K398-E402 HydrophobicContact CG-CG 4.5Å; K398-E402 WeakPolarHBondContact CG-OE1 3.43Å; K398-E402 IonicContact NZ-OE1 3.11Å; K398-E402 WeakPolarHBondContact O-CB 3.26Å; K398-E402 WeakPolarHBondContact O-CG 3.35Å; K398-E402 PolarHBondContact O-N 3.23Å; K398-F427 HydrophobicContact CB-CD1 3.77Å; K398-F427 HydrophobicContact CB-CE1 4.28Å; K398-F427 HydrophobicContact CG-CB 4.4Å; K398-F427 HydrophobicContact CG-CD1 4.04Å
399	E	96.1	Very high	93	Very high	125 Å²	125	54.6 Å²	54.6	58%	0.584	29%	0.285	S	S	*	.	H	α-helix	trans	-58.3	-47.1	176.9	-72.4	169.5	-173.8	0	0	111.7	T395 K396 E402 Q403	T395-E399 WeakPolarHBondContact O-CG 3.46Å; T395-E399 PolarHBondContact O-N 2.5Å; K396-E399 PolarHBondContact O-N 3.28Å; E399-E402 PolarHBondContact O-N 3.34Å; E399-Q403 WeakPolarHBondContact O-CB 3.46Å; E399-Q403 PolarHBondContact O-N 2.83Å
400	V	97.3	Very high	92.9	Very high	47 Å²	47	57.1 Å²	57.1	29%	0.285	30%	0.298	S	S	.	.	H	α-helix	trans	-64.2	-41.5	177.7	170.8	0	0	0	0	111.3	A383 C387 K396 K398 Q403 T404	A383-V400 HydrophobicContact CB-CG1 4.11Å; C387-V400 HydrophobicContact CB-CB 4.08Å; C387-V400 HydrophobicContact CB-CG1 4.14Å; C387-V400 HydrophobicContact CB-CG2 4.14Å; K396-V400 WeakPolarHBondContact O-CG2 3.39Å; K396-V400 PolarHBondContact O-N 3.21Å; K398-V400 PolarHBondContact O-N 2.87Å; V400-Q403 PolarHBondContact O-N 2.68Å; V400-T404 VanDerWaalsContact O-CB 3.29Å; V400-T404 WeakPolarHBondContact O-CB 3.23Å; V400-T404 PolarHBondContact O-N 2.67Å; V400-T404 PolarHBondContact O-OG1 3.37Å
401	A	96.3	Very high	92.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.8	-44.7	177.4	0	0	0	0	0	111.6	A380 A397 K398 Q403 T404 L405 F427 M455	A380-A401 HydrophobicContact CB-CB 4.49Å; A380-A401 VanDerWaalsContact CB-O 3.28Å; A380-A401 WeakPolarHBondContact CB-O 3.49Å; A380-A401 WeakPolarHBondContact O-CB 3.42Å; A397-A401 VanDerWaalsContact O-CB 3.3Å; A397-A401 WeakPolarHBondContact O-CB 3.48Å; A397-A401 PolarHBondContact O-N 3.27Å; K398-A401 PolarHBondContact O-N 2.83Å; A401-Q403 PolarHBondContact O-N 2.61Å; A401-T404 PolarHBondContact O-N 3.25Å; A401-L405 WeakPolarHBondContact O-CB 3.39Å; A401-L405 PolarHBondContact O-N 3.23Å; A401-F427 HydrophobicContact CB-CD1 4.45Å; A401-F427 HydrophobicContact CB-CD2 3.94Å; A401-F427 HydrophobicContact CB-CE1 4.44Å; A401-F427 HydrophobicContact CB-CE2 3.93Å; A401-F427 HydrophobicContact CB-CG 4.19Å; A401-F427 HydrophobicContact CB-CZ 4.18Å; A401-M455 HydrophobicContact CB-CE 3.67Å
402	E	95.1	Very high	92.2	Very high	72 Å²	72	52.3 Å²	52.3	34%	0.336	28%	0.283	S	S	.	.	H	α-helix	trans	-64.1	-39.3	177.1	-76.1	177.8	-168.2	0	0	113.1	K398 E399 G406 M425	K398-E402 WeakPolarHBondContact CE-OE1 3.25Å; K398-E402 HydrophobicContact CG-CG 4.5Å; K398-E402 WeakPolarHBondContact CG-OE1 3.43Å; K398-E402 IonicContact NZ-OE1 3.11Å; K398-E402 WeakPolarHBondContact O-CB 3.26Å; K398-E402 WeakPolarHBondContact O-CG 3.35Å; K398-E402 PolarHBondContact O-N 3.23Å; E399-E402 PolarHBondContact O-N 3.34Å; E402-G406 PolarHBondContact O-N 3.14Å; E402-G406 VanDerWaalsContact O-N 3.1Å; E402-M425 HydrophobicContact CB-CE 4.3Å; E402-M425 HydrophobicContact CG-CE 3.53Å; E402-M425 HydrophobicContact CG-SD 3.7Å
403	Q	94.8	Very high	91.9	Very high	132 Å²	132	57.6 Å²	57.6	62%	0.617	30%	0.301	S	S	*	.	H	α-helix	trans	-67.1	-43.9	175.1	-175.5	-179.8	-1.6	0	0	111.4	E399 V400 A401 G406 S407	E399-Q403 WeakPolarHBondContact O-CB 3.46Å; E399-Q403 PolarHBondContact O-N 2.83Å; V400-Q403 PolarHBondContact O-N 2.68Å; A401-Q403 PolarHBondContact O-N 2.61Å; Q403-G406 PolarHBondContact O-N 2.87Å; Q403-S407 PolarHBondContact O-N 3.42Å; Q403-S407 PolarHBondContact O-OG 3.2Å
404	T	94.3	Very high	91.6	Very high	36 Å²	36	56.9 Å²	56.9	22%	0.221	30%	0.295	C	S	.	.	H	α-helix	trans	-64.4	-45.7	179.4	-56.3	0	0	0	0	110.7	E379 A383 V400 A401 G406 S407 G408	E379-T404 HydrophobicContact CB-CG2 4.14Å; A383-T404 HydrophobicContact CB-CG2 3.98Å; V400-T404 VanDerWaalsContact O-CB 3.29Å; V400-T404 WeakPolarHBondContact O-CB 3.23Å; V400-T404 PolarHBondContact O-N 2.67Å; V400-T404 PolarHBondContact O-OG1 3.37Å; A401-T404 PolarHBondContact O-N 3.25Å; T404-G406 VanDerWaalsContact C-N 3.27Å; T404-G406 PolarHBondContact O-N 2.69Å; T404-S407 PolarHBondContact O-N 3.25Å; T404-S407 VanDerWaalsContact O-N 3.1Å; T404-G408 PolarHBondContact O-N 3.44Å
405	L	94.2	Very high	91.1	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-55.1	-46.2	173.1	178.1	67.1	0	0	0	110.8	A376 V377 A380 A401 S407 G408 L409 M425 M455	A376-L405 HydrophobicContact CB-CD1 3.86Å; V377-L405 HydrophobicContact CG2-CD1 3.79Å; A380-L405 HydrophobicContact CB-CB 3.87Å; A401-L405 WeakPolarHBondContact O-CB 3.39Å; A401-L405 PolarHBondContact O-N 3.23Å; L405-S407 VanDerWaalsContact C-N 3.31Å; L405-S407 PolarHBondContact O-N 3.45Å; L405-G408 PolarHBondContact O-N 2.82Å; L405-L409 HydrophobicContact CD1-CD1 4.5Å; L405-L409 HydrophobicContact CD1-CG 4.44Å; L405-L409 HydrophobicContact CG-CD1 4.24Å; L405-L409 VanDerWaalsContact O-CG 3.27Å; L405-L409 WeakPolarHBondContact O-CG 3.29Å; L405-L409 PolarHBondContact O-N 3.3Å; L405-M425 HydrophobicContact CD2-CB 4.36Å; L405-M425 HydrophobicContact CD2-CE 3.43Å; L405-M425 VanDerWaalsContact CD2-CE 3.43Å; L405-M455 HydrophobicContact CB-SD 4.44Å; L405-M455 HydrophobicContact CD1-SD 4.46Å; L405-M455 HydrophobicContact CD2-SD 4.04Å
406	G	91.8	Very high	90.4	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61	-38	178.4	0	0	0	0	0	114.6	E402 Q403 T404 D410 K418 R422	E402-G406 PolarHBondContact O-N 3.14Å; E402-G406 VanDerWaalsContact O-N 3.1Å; Q403-G406 PolarHBondContact O-N 2.87Å; T404-G406 VanDerWaalsContact C-N 3.27Å; T404-G406 PolarHBondContact O-N 2.69Å; G406-D410 PolarHBondContact O-N 3.49Å; G406-K418 VanDerWaalsContact O-CE 3.23Å; G406-K418 WeakPolarHBondContact O-CE 3.18Å; G406-K418 PolarHBondContact O-NZ 3.23Å; G406-R422 VanDerWaalsContact CA-NH2 3.34Å
407	S	90.9	Very high	89.8	Confident	64 Å²	64	56.8 Å²	56.8	45%	0.448	30%	0.299	S	S	.	.	H	α-helix	trans	-74.1	-39.9	179.7	-51.2	0	0	0	0	111	Q403 T404 L405 L409 D410 S411	Q403-S407 PolarHBondContact O-N 3.42Å; Q403-S407 PolarHBondContact O-OG 3.2Å; T404-S407 PolarHBondContact O-N 3.25Å; T404-S407 VanDerWaalsContact O-N 3.1Å; L405-S407 VanDerWaalsContact C-N 3.31Å; L405-S407 PolarHBondContact O-N 3.45Å; S407-L409 PolarHBondContact O-N 2.76Å; S407-D410 WeakPolarHBondContact O-CB 3.17Å; S407-D410 PolarHBondContact O-N 2.83Å; S407-D410 VanDerWaalsContact O-N 3.12Å; S407-S411 PolarHBondContact O-N 3.14Å
408	G	89.1	Confident	89.3	Confident	2 Å²	2	58.6 Å²	58.6	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-62.8	-39.5	174	0	0	0	0	0	112.6	T404 L405 D410 S411 F412	T404-G408 PolarHBondContact O-N 3.44Å; L405-G408 PolarHBondContact O-N 2.82Å; G408-D410 VanDerWaalsContact C-N 3.28Å; G408-D410 PolarHBondContact O-N 3.28Å; G408-S411 WeakPolarHBondContact CA-OG 3.19Å; G408-S411 PolarHBondContact O-N 2.78Å; G408-S411 PolarHBondContact O-OG 2.9Å; G408-F412 WeakPolarHBondContact O-CD2 3.33Å; G408-F412 PolarHBondContact O-N 3.15Å
409	L	89.6	Confident	88.7	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-33.1	173.1	-68.2	175.3	0	0	0	112.4	I373 A376 L405 S407 L414 K418 L421	I373-L409 HydrophobicContact CG1-CD2 4.29Å; A376-L409 HydrophobicContact CB-CD2 4.39Å; L405-L409 HydrophobicContact CD1-CD1 4.5Å; L405-L409 HydrophobicContact CD1-CG 4.44Å; L405-L409 HydrophobicContact CG-CD1 4.24Å; L405-L409 VanDerWaalsContact O-CG 3.27Å; L405-L409 WeakPolarHBondContact O-CG 3.29Å; L405-L409 PolarHBondContact O-N 3.3Å; S407-L409 PolarHBondContact O-N 2.76Å; L409-L414 HydrophobicContact CB-CB 4.45Å; L409-L414 HydrophobicContact CD2-CB 4.31Å; L409-L414 HydrophobicContact CD2-CD1 3.89Å; L409-L414 WeakPolarHBondContact O-CA 3.09Å; L409-L414 WeakPolarHBondContact O-CB 3.37Å; L409-L414 PolarHBondContact O-N 3.05Å; L409-K418 HydrophobicContact CD1-CG 4.37Å; L409-L421 HydrophobicContact CD1-CB 4.35Å; L409-L421 HydrophobicContact CD1-CD1 4.1Å; L409-L421 HydrophobicContact CD2-CD1 3.96Å
410	D	88.7	Confident	88.2	Confident	61 Å²	61	54.2 Å²	54.2	33%	0.326	31%	0.31	S	S	.	.	H	α-helix	trans	-70	-41.6	175.4	-62.2	-26.1	0	0	0	111.5	G406 S407 G408 F412 E413 K418	G406-D410 PolarHBondContact O-N 3.49Å; S407-D410 WeakPolarHBondContact O-CB 3.17Å; S407-D410 PolarHBondContact O-N 2.83Å; S407-D410 VanDerWaalsContact O-N 3.12Å; G408-D410 VanDerWaalsContact C-N 3.28Å; G408-D410 PolarHBondContact O-N 3.28Å; D410-F412 VanDerWaalsContact C-N 3.25Å; D410-F412 PolarHBondContact O-N 3.13Å; D410-E413 PolarHBondContact O-N 2.9Å; D410-K418 WeakPolarHBondContact OD1-CD 3.48Å; D410-K418 WeakPolarHBondContact OD1-CE 3.32Å; D410-K418 IonicContact OD1-NZ 2.96Å; D410-K418 PolarHBondContact OD1-NZ 2.83Å; D410-K418 IonicContact OD2-NZ 3.5Å; D410-K418 PolarHBondContact OD2-NZ 3.31Å
411	S	84.4	Confident	87.7	Confident	85 Å²	85	52.1 Å²	52.1	59%	0.594	30%	0.297	S	S	*	.	H	α-helix	trans	-66.5	-25.5	179.1	55.8	0	0	0	0	113.7	S407 G408 E413	S407-S411 PolarHBondContact O-N 3.14Å; G408-S411 WeakPolarHBondContact CA-OG 3.19Å; G408-S411 PolarHBondContact O-N 2.78Å; G408-S411 PolarHBondContact O-OG 2.9Å; S411-E413 VanDerWaalsContact C-N 3.31Å
412	F	82.7	Confident	87.3	Confident	26 Å²	26	57.1 Å²	57.1	11%	0.114	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	9.9	173.1	-66.1	-57.1	0	0	0	113.7	Q372 A375 A376 G408 D410 L414 V617 H620	Q372-F412 HydrophobicContact CB-CB 4.08Å; Q372-F412 HydrophobicContact CB-CD1 4.23Å; Q372-F412 HydrophobicContact CB-CD2 4.01Å; Q372-F412 HydrophobicContact CB-CG 3.85Å; Q372-F412 HydrophobicContact CG-CB 4.21Å; Q372-F412 HydrophobicContact CG-CD1 3.81Å; Q372-F412 HydrophobicContact CG-CD2 4.48Å; Q372-F412 HydrophobicContact CG-CE1 4.29Å; Q372-F412 HydrophobicContact CG-CG 3.92Å; A375-F412 HydrophobicContact CB-CE2 3.98Å; A375-F412 HydrophobicContact CB-CZ 3.97Å; A376-F412 HydrophobicContact CB-CE2 4.44Å; G408-F412 WeakPolarHBondContact O-CD2 3.33Å; G408-F412 PolarHBondContact O-N 3.15Å; D410-F412 VanDerWaalsContact C-N 3.25Å; D410-F412 PolarHBondContact O-N 3.13Å; F412-L414 HydrophobicContact CB-CD1 4.21Å; F412-L414 HydrophobicContact CB-CG 4.08Å; F412-L414 PolarHBondContact O-N 3.49Å; F412-V617 HydrophobicContact CE1-CG1 3.91Å; F412-V617 HydrophobicContact CZ-CG1 3.95Å; F412-H620 AromaticContact CE1-ND1 3.93Å
413	E	81.9	Confident	87	Confident	166 Å²	166	58.3 Å²	58.3	78%	0.776	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	24.3	-179.4	-53.9	-178.6	165.4	0	0	114.1	D410 S411 I415	D410-E413 PolarHBondContact O-N 2.9Å; S411-E413 VanDerWaalsContact C-N 3.31Å; E413-I415 VanDerWaalsContact C-N 3.27Å; E413-I415 PolarHBondContact O-N 2.83Å
414	L	82.8	Confident	86.8	Confident	12 Å²	12	55.5 Å²	55.5	6%	0.063	32%	0.318	C	S	.	.			trans	-90.3	21.2	-179.5	-58.2	-180	0	0	0	113.6	L369 Q372 I373 L409 F412 P416 F417 K418	L369-L414 HydrophobicContact CD1-CD1 3.87Å; L369-L414 HydrophobicContact CD1-CD2 3.35Å; L369-L414 HydrophobicContact CD1-CG 4.26Å; Q372-L414 HydrophobicContact CB-CD1 4.07Å; I373-L414 HydrophobicContact CG1-CD1 3.94Å; L409-L414 HydrophobicContact CB-CB 4.45Å; L409-L414 HydrophobicContact CD2-CB 4.31Å; L409-L414 HydrophobicContact CD2-CD1 3.89Å; L409-L414 WeakPolarHBondContact O-CA 3.09Å; L409-L414 WeakPolarHBondContact O-CB 3.37Å; L409-L414 PolarHBondContact O-N 3.05Å; F412-L414 HydrophobicContact CB-CD1 4.21Å; F412-L414 HydrophobicContact CB-CG 4.08Å; F412-L414 PolarHBondContact O-N 3.49Å; L414-P416 VanDerWaalsContact C-N 3.32Å; L414-F417 HydrophobicContact CD2-CD2 4.44Å; L414-F417 PolarHBondContact O-N 3.12Å; L414-K418 PolarHBondContact O-N 2.84Å
415	I	81.6	Confident	86.8	Confident	109 Å²	109	55.1 Å²	55.1	56%	0.559	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-48.9	-43.3	-179.1	-51.6	175	0	0	0	113	E413 F417 K418	E413-I415 VanDerWaalsContact C-N 3.27Å; E413-I415 PolarHBondContact O-N 2.83Å; I415-F417 PolarHBondContact O-N 3Å; I415-F417 VanDerWaalsContact O-N 3.11Å; I415-K418 WeakPolarHBondContact O-CB 3.3Å; I415-K418 PolarHBondContact O-N 3.01Å
416	P	80.6	Confident	86.8	Confident	105 Å²	105	56.6 Å²	56.6	68%	0.682	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-61	-24.3	-178.5	-23.9	35.6	0	0	0	114.1	L414	L414-P416 VanDerWaalsContact C-N 3.32Å
417	F	81.3	Confident	86.9	Confident	55 Å²	55	57.3 Å²	57.3	24%	0.241	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-106.1	-6.7	-172.6	-49.9	-58.4	0	0	0	113.1	L414 I415 A419 A420 L421 L463	L414-F417 HydrophobicContact CD2-CD2 4.44Å; L414-F417 PolarHBondContact O-N 3.12Å; I415-F417 PolarHBondContact O-N 3Å; I415-F417 VanDerWaalsContact O-N 3.11Å; F417-A419 VanDerWaalsContact C-N 3.35Å; F417-A419 PolarHBondContact O-N 2.94Å; F417-A420 PolarHBondContact O-N 2.77Å; F417-A420 VanDerWaalsContact O-N 3.11Å; F417-L421 HydrophobicContact CB-CD1 4.29Å; F417-L421 WeakPolarHBondContact O-CG 3.25Å; F417-L421 PolarHBondContact O-N 3.24Å; F417-L463 HydrophobicContact CB-CD1 3.58Å; F417-L463 HydrophobicContact CB-CD2 4.33Å; F417-L463 HydrophobicContact CD1-CB 4.06Å; F417-L463 HydrophobicContact CD1-CD1 3.74Å; F417-L463 HydrophobicContact CD1-CD2 3.26Å; F417-L463 HydrophobicContact CD1-CG 3.82Å; F417-L463 HydrophobicContact CD2-CB 4.35Å; F417-L463 HydrophobicContact CD2-CD1 3.67Å; F417-L463 HydrophobicContact CD2-CG 4.4Å; F417-L463 HydrophobicContact CE1-CB 3.74Å; F417-L463 HydrophobicContact CE1-CD1 4.29Å; F417-L463 HydrophobicContact CE1-CD2 3.59Å; F417-L463 HydrophobicContact CE1-CG 4.03Å; F417-L463 HydrophobicContact CE2-CB 4.05Å; F417-L463 HydrophobicContact CE2-CD1 4.23Å; F417-L463 HydrophobicContact CG-CB 4.33Å; F417-L463 HydrophobicContact CG-CD1 3.36Å; F417-L463 HydrophobicContact CG-CD2 3.86Å; F417-L463 HydrophobicContact CG-CG 3.99Å; F417-L463 HydrophobicContact CZ-CB 3.73Å; F417-L463 HydrophobicContact CZ-CD2 4.42Å; F417-L463 HydrophobicContact CZ-CG 4.4Å
418	K	84.9	Confident	87	Confident	38 Å²	38	56.9 Å²	56.9	17%	0.165	32%	0.32	C	S	.	.	H	α-helix	trans	-53.6	-44.7	-175.9	-173.1	178.1	-170.2	169.4	0	113.7	G406 L409 D410 L414 I415 R422	G406-K418 VanDerWaalsContact O-CE 3.23Å; G406-K418 WeakPolarHBondContact O-CE 3.18Å; G406-K418 PolarHBondContact O-NZ 3.23Å; L409-K418 HydrophobicContact CD1-CG 4.37Å; D410-K418 WeakPolarHBondContact OD1-CD 3.48Å; D410-K418 WeakPolarHBondContact OD1-CE 3.32Å; D410-K418 IonicContact OD1-NZ 2.96Å; D410-K418 PolarHBondContact OD1-NZ 2.83Å; D410-K418 IonicContact OD2-NZ 3.5Å; D410-K418 PolarHBondContact OD2-NZ 3.31Å; L414-K418 PolarHBondContact O-N 2.84Å; I415-K418 WeakPolarHBondContact O-CB 3.3Å; I415-K418 PolarHBondContact O-N 3.01Å; K418-R422 VanDerWaalsContact CE-CZ 3.42Å; K418-R422 VanDerWaalsContact O-CB 3.31Å; K418-R422 WeakPolarHBondContact O-CB 3.25Å; K418-R422 VanDerWaalsContact O-CG 3.29Å; K418-R422 WeakPolarHBondContact O-CG 3.44Å; K418-R422 PolarHBondContact O-N 2.85Å
419	A	85.4	Confident	87.3	Confident	82 Å²	82	57 Å²	57	68%	0.678	32%	0.32	S	S	*	.	H	α-helix	trans	-66.6	-39.7	179.9	0	0	0	0	0	112.3	F417 S423	F417-A419 VanDerWaalsContact C-N 3.35Å; F417-A419 PolarHBondContact O-N 2.94Å; A419-S423 PolarHBondContact O-N 3.1Å
420	A	84.7	Confident	87.4	Confident	44 Å²	44	59.4 Å²	59.4	36%	0.364	33%	0.331	S	S	.	.	H	α-helix	trans	-71.1	-36.8	179.4	0	0	0	0	0	112.5	F417 S423	F417-A420 PolarHBondContact O-N 2.77Å; F417-A420 VanDerWaalsContact O-N 3.11Å; A420-S423 PolarHBondContact O-OG 3.33Å; A420-S423 VanDerWaalsContact O-OG 3.08Å
421	L	87.3	Confident	87.5	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.016	32%	0.316	C	S	.	.	H	α-helix	trans	-73.3	-40.4	176.8	-64.6	173.8	0	0	0	111.7	I373 L409 F417 S423 K424 M425 V457 I460	I373-L421 HydrophobicContact CD1-CD1 3.91Å; I373-L421 HydrophobicContact CD1-CD2 4.14Å; I373-L421 HydrophobicContact CG1-CD1 4.06Å; L409-L421 HydrophobicContact CD1-CB 4.35Å; L409-L421 HydrophobicContact CD1-CD1 4.1Å; L409-L421 HydrophobicContact CD2-CD1 3.96Å; F417-L421 HydrophobicContact CB-CD1 4.29Å; F417-L421 WeakPolarHBondContact O-CG 3.25Å; F417-L421 PolarHBondContact O-N 3.24Å; L421-S423 PolarHBondContact O-N 3.26Å; L421-K424 PolarHBondContact O-N 3.02Å; L421-M425 PolarHBondContact O-N 3.24Å; L421-V457 HydrophobicContact CB-CG1 4.4Å; L421-V457 HydrophobicContact CD2-CG1 4.04Å; L421-I460 HydrophobicContact CD2-CG1 4.23Å; L421-I460 HydrophobicContact CD2-CG2 4.11Å
422	R	86.6	Confident	87.6	Confident	105 Å²	105	52.6 Å²	52.6	40%	0.396	29%	0.288	S	S	.	.	H	α-helix	trans	-63.6	-36.8	178.5	-81	178.2	165.1	-177	-11.7	113.4	G406 K418 K424 M425	G406-R422 VanDerWaalsContact CA-NH2 3.34Å; K418-R422 VanDerWaalsContact CE-CZ 3.42Å; K418-R422 VanDerWaalsContact O-CB 3.31Å; K418-R422 WeakPolarHBondContact O-CB 3.25Å; K418-R422 VanDerWaalsContact O-CG 3.29Å; K418-R422 WeakPolarHBondContact O-CG 3.44Å; K418-R422 PolarHBondContact O-N 2.85Å; R422-K424 PolarHBondContact O-N 2.71Å; R422-M425 WeakPolarHBondContact O-CG 3.34Å; R422-M425 PolarHBondContact O-N 3Å
423	S	88.6	Confident	87.6	Confident	97 Å²	97	52.1 Å²	52.1	68%	0.678	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-17.6	179.1	64	0	0	0	0	113.5	A419 A420 L421	A419-S423 PolarHBondContact O-N 3.1Å; A420-S423 PolarHBondContact O-OG 3.33Å; A420-S423 VanDerWaalsContact O-OG 3.08Å; L421-S423 PolarHBondContact O-N 3.26Å
424	K	90.9	Very high	87.4	Confident	73 Å²	73	46.3 Å²	46.3	32%	0.317	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	9.4	179.6	-58.6	-168.6	-175.2	-167.5	0	113.6	L421 R422 Y458 D459	L421-K424 PolarHBondContact O-N 3.02Å; R422-K424 PolarHBondContact O-N 2.71Å; K424-Y458 WeakPolarHBondContact CB-O 3.36Å; K424-Y458 WeakPolarHBondContact CD-O 3.43Å; K424-Y458 WeakPolarHBondContact O-CD2 3.45Å; K424-Y458 PolarHBondContact O-N 2.84Å; K424-D459 PolarHBondContact NZ-O 3.22Å
425	M	93.7	Very high	87	Confident	28 Å²	28	47.5 Å²	47.5	14%	0.138	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	148.9	-179.5	79.7	97.8	75.8	0	0	111.7	E402 L405 L421 R422 M455 T456 V457	E402-M425 HydrophobicContact CB-CE 4.3Å; E402-M425 HydrophobicContact CG-CE 3.53Å; E402-M425 HydrophobicContact CG-SD 3.7Å; L405-M425 HydrophobicContact CD2-CB 4.36Å; L405-M425 HydrophobicContact CD2-CE 3.43Å; L405-M425 VanDerWaalsContact CD2-CE 3.43Å; L421-M425 PolarHBondContact O-N 3.24Å; R422-M425 WeakPolarHBondContact O-CG 3.34Å; R422-M425 PolarHBondContact O-N 3Å; M425-M455 HydrophobicContact CE-CE 3.45Å; M425-M455 VanDerWaalsContact CE-CE 3.45Å; M425-M455 HydrophobicContact CE-CG 4.47Å; M425-M455 HydrophobicContact CE-SD 3.79Å; M425-T456 CarbonylContact C-O 3.4Å; M425-T456 VanDerWaalsContact CA-O 3.27Å; M425-T456 WeakPolarHBondContact CA-O 3.46Å; M425-V457 HydrophobicContact CB-CG2 4.27Å
426	A	94.5	Very high	86.8	Confident	33 Å²	33	42.8 Å²	42.8	27%	0.273	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	130.6	171	0	0	0	0	0	110	M455 T456 Y458	A426-M455 VanDerWaalsContact O-CA 3.3Å; A426-M455 WeakPolarHBondContact O-CA 3.33Å; A426-T456 PolarHBondContact N-O 3.15Å; A426-T456 PolarHBondContact O-N 3.16Å; A426-Y458 HydrophobicContact CB-CE2 3.81Å
427	F	95.4	Very high	86.8	Confident	14 Å²	14	42 Å²	42	6%	0.061	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.7	175	179.4	-97.6	0	0	0	110.4	V381 L394 A397 K398 A401 I429 C454 M455	V381-F427 HydrophobicContact CG2-CE2 4.4Å; L394-F427 HydrophobicContact CD1-CE1 4.49Å; A397-F427 HydrophobicContact CB-CE1 4.32Å; K398-F427 HydrophobicContact CB-CD1 3.77Å; K398-F427 HydrophobicContact CB-CE1 4.28Å; K398-F427 HydrophobicContact CG-CB 4.4Å; K398-F427 HydrophobicContact CG-CD1 4.04Å; A401-F427 HydrophobicContact CB-CD1 4.45Å; A401-F427 HydrophobicContact CB-CD2 3.94Å; A401-F427 HydrophobicContact CB-CE1 4.44Å; A401-F427 HydrophobicContact CB-CE2 3.93Å; A401-F427 HydrophobicContact CB-CG 4.19Å; A401-F427 HydrophobicContact CB-CZ 4.18Å; F427-I429 HydrophobicContact CE1-CD1 4.04Å; F427-I429 HydrophobicContact CE1-CG1 3.88Å; F427-I429 HydrophobicContact CZ-CD1 3.95Å; F427-I429 HydrophobicContact CZ-CG1 3.82Å; F427-C454 WeakPolarHBondContact CA-O 3.48Å; F427-C454 WeakPolarHBondContact CD2-O 3.31Å; F427-M455 HydrophobicContact CB-CE 4.04Å; F427-M455 HydrophobicContact CD2-CB 4.13Å; F427-M455 HydrophobicContact CD2-CE 3.73Å; F427-M455 HydrophobicContact CG-CE 4.2Å
428	H	93.2	Very high	86.9	Confident	56 Å²	56	42.5 Å²	42.5	26%	0.259	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	156.1	176.7	59.2	-75.7	0	0	0	111.5	H430 C454	H428-H430 AromaticContact CD2-CE1 3.15Å; H428-H430 PolarHBondContact CD2-CE1 3.21Å; H428-H430 AromaticContact CD2-ND1 3.51Å; H428-H430 AromaticContact CD2-NE2 3.52Å; H428-H430 AromaticContact NE2-CE1 3.73Å; H428-C454 WeakPolarHBondContact CE1-CB 3.22Å; H428-C454 VanDerWaalsContact CE1-SG 3.55Å; H428-C454 PolarHBondContact N-O 3.39Å; H428-C454 PolarHBondContact O-N 3.44Å
429	I	93.9	Very high	86.8	Confident	3 Å²	3	42 Å²	42	2%	0.015	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132.3	170.5	-56.2	176.4	0	0	0	106.6	Y388 L394 A397 F427 L441 K451 T452 A453 F479	Y388-I429 HydrophobicContact CD2-CD1 3.79Å; Y388-I429 HydrophobicContact CG-CD1 3.79Å; L394-I429 HydrophobicContact CD1-CB 3.88Å; L394-I429 HydrophobicContact CD1-CD1 4.13Å; L394-I429 HydrophobicContact CD1-CG1 3.9Å; A397-I429 HydrophobicContact CB-CD1 4.07Å; F427-I429 HydrophobicContact CE1-CD1 4.04Å; F427-I429 HydrophobicContact CE1-CG1 3.88Å; F427-I429 HydrophobicContact CZ-CD1 3.95Å; F427-I429 HydrophobicContact CZ-CG1 3.82Å; I429-L441 HydrophobicContact CB-CD1 4.1Å; I429-L441 HydrophobicContact CG2-CD1 4.28Å; I429-L441 HydrophobicContact CG2-CD2 4.27Å; I429-L441 WeakPolarHBondContact O-CD1 3.47Å; I429-K451 HydrophobicContact CG2-CB 3.85Å; I429-K451 HydrophobicContact CG2-CG 4.26Å; I429-T452 WeakPolarHBondContact CA-O 3.46Å; I429-A453 HydrophobicContact CG1-CB 4Å; I429-F479 HydrophobicContact CG2-CE1 4.1Å; I429-F479 HydrophobicContact CG2-CZ 4.04Å
430	H	91.3	Very high	86.7	Confident	52 Å²	52	42.7 Å²	42.7	24%	0.241	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.3	175.1	-65	152.3	0	0	0	109.5	H428 I438 K451 T452	H428-H430 AromaticContact CD2-CE1 3.15Å; H428-H430 PolarHBondContact CD2-CE1 3.21Å; H428-H430 AromaticContact CD2-ND1 3.51Å; H428-H430 AromaticContact CD2-NE2 3.52Å; H428-H430 AromaticContact NE2-CE1 3.73Å; H430-I438 HydrophobicContact CB-CG2 4.1Å; H430-K451 CarbonylContact O-C 3.43Å; H430-K451 WeakPolarHBondContact O-CA 3.37Å; H430-T452 PolarHBondContact N-O 3.26Å; H430-T452 PolarHBondContact O-N 3.4Å
431	A	90.8	Very high	86.6	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	140.7	166.2	0	0	0	0	0	109.4	I438 V439 L441 F449 K451	A431-I438 CarbonylContact O-C 3.57Å; A431-I438 WeakPolarHBondContact O-CA 3.24Å; A431-V439 PolarHBondContact O-N 2.86Å; A431-L441 HydrophobicContact CB-CD2 3.77Å; A431-F449 HydrophobicContact CB-CB 4.24Å; A431-F449 HydrophobicContact CB-CD2 4.49Å; A431-K451 HydrophobicContact CB-CG 4.22Å
432	V	87.6	Confident	85.8	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.018	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	125.3	-176.8	-169.6	0	0	0	0	108.8	P337 G436 R437 V450	P337-V432 HydrophobicContact CB-CB 4.11Å; P337-V432 HydrophobicContact CB-CG1 4.09Å; V432-G436 VanDerWaalsContact CG1-CA 3.46Å; V432-R437 VanDerWaalsContact CA-O 3.28Å; V432-R437 WeakPolarHBondContact CA-O 3.32Å; V432-V450 PolarHBondContact N-O 2.92Å
433	N	81.8	Confident	84.8	Confident	17 Å²	17	46.4 Å²	46.4	9%	0.091	26%	0.258	C	S	.	.			trans	-73.9	174.8	177.7	73.1	2.2	0	0	0	111.8	Q435 G436 R437 V439 F449	N433-Q435 PolarHBondContact O-N 3.42Å; N433-Q435 PolarHBondContact OD1-N 3.1Å; N433-Q435 VanDerWaalsContact OD1-N 3.1Å; N433-G436 PolarHBondContact O-N 2.96Å; N433-G436 PolarHBondContact OD1-N 3.28Å; N433-G436 VanDerWaalsContact OD1-N 3.15Å; N433-R437 PolarHBondContact N-O 2.91Å; N433-R437 PolarHBondContact OD1-N 3.47Å; N433-R437 PolarHBondContact OD1-O 2.91Å; N433-V439 HydrophobicContact CB-CG2 4.1Å; N433-F449 HydrophobicContact CB-CD1 4.45Å; N433-F449 HydrophobicContact CB-CE1 4.42Å
434	S	78.4	Confident	83.7	Confident	43 Å²	43	50.6 Å²	50.6	30%	0.301	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.4	179	54.6	0	0	0	0	114.2	G336	G336-S434 WeakPolarHBondContact CA-O 3.47Å
435	Q	74.4	Confident	82.7	Confident	37 Å²	37	49.4 Å²	49.4	17%	0.173	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	0.9	177.2	-55.8	-158	-37.6	0	0	114.1	Q168 N433	Q168-Q435 VanDerWaalsContact NE2-NE2 3.19Å; N433-Q435 PolarHBondContact O-N 3.42Å; N433-Q435 PolarHBondContact OD1-N 3.1Å; N433-Q435 VanDerWaalsContact OD1-N 3.1Å
436	G	77.6	Confident	81.6	Confident	10 Å²	10	48.5 Å²	48.5	10%	0.103	26%	0.261	C	S	.	.	S	Bend	trans	84.1	11.7	-179.7	0	0	0	0	0	115.6	R285 G336 V432 N433	R285-G436 WeakPolarHBondContact CD-O 3.09Å; R285-G436 PolarHBondContact NH1-O 3.27Å; G336-G436 WeakPolarHBondContact O-CA 3.38Å; V432-G436 VanDerWaalsContact CG1-CA 3.46Å; N433-G436 PolarHBondContact O-N 2.96Å; N433-G436 PolarHBondContact OD1-N 3.28Å; N433-G436 VanDerWaalsContact OD1-N 3.15Å
437	R	79.5	Confident	80.8	Confident	90 Å²	90	49 Å²	49	34%	0.34	26%	0.259	S	S	.	.			trans	-87.8	142.1	176.5	-58.3	-172.2	-172.1	179.5	0.8	111.9	V432 N433	V432-R437 VanDerWaalsContact CA-O 3.28Å; V432-R437 WeakPolarHBondContact CA-O 3.32Å; N433-R437 PolarHBondContact N-O 2.91Å; N433-R437 PolarHBondContact OD1-N 3.47Å; N433-R437 PolarHBondContact OD1-O 2.91Å
438	I	84.4	Confident	80.1	Confident	64 Å²	64	49.4 Å²	49.4	33%	0.328	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	128.2	177.8	-59.6	175.7	0	0	0	109.6	N284 R285 H430 A431	N284-I438 HydrophobicContact CB-CD1 4.37Å; R285-I438 HydrophobicContact CG-CD1 4.41Å; H430-I438 HydrophobicContact CB-CG2 4.1Å; A431-I438 CarbonylContact O-C 3.57Å; A431-I438 WeakPolarHBondContact O-CA 3.24Å
439	V	83.2	Confident	79.9	Confident	29 Å²	29	47.2 Å²	47.2	18%	0.176	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	141.3	177.1	-174.1	0	0	0	0	109.1	A431 N433 L441 F449	A431-V439 PolarHBondContact O-N 2.86Å; N433-V439 HydrophobicContact CB-CG2 4.1Å; V439-L441 PolarHBondContact O-N 3.31Å; V439-F449 HydrophobicContact CB-CD2 4.22Å; V439-F449 HydrophobicContact CB-CE2 4.26Å; V439-F449 HydrophobicContact CG1-CD2 4.29Å; V439-F449 HydrophobicContact CG1-CE2 3.94Å; V439-F449 HydrophobicContact CG2-CD2 4.29Å; V439-F449 HydrophobicContact CG2-CE2 4.16Å
440	P	83.7	Confident	79.9	Confident	95 Å²	95	47.1 Å²	47.1	62%	0.617	25%	0.252	S	S	*	.			trans	-55.9	135.8	173.4	-25.2	34.7	0	0	0	112.2	D442 S443	P440-D442 PolarHBondContact O-N 3.15Å; P440-S443 WeakPolarHBondContact O-CB 3.4Å; P440-S443 PolarHBondContact O-N 3.28Å
441	L	81.9	Confident	80	Confident	26 Å²	26	44.6 Å²	44.6	14%	0.136	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-25.1	179.6	-71.9	175.2	0	0	0	113.4	L394 I429 A431 V439 S443 S446 K451	L394-L441 HydrophobicContact CB-CD1 4.24Å; L394-L441 HydrophobicContact CD1-CD1 4.28Å; L394-L441 HydrophobicContact CD2-CD1 4.12Å; L394-L441 HydrophobicContact CG-CD1 4.44Å; I429-L441 HydrophobicContact CB-CD1 4.1Å; I429-L441 HydrophobicContact CG2-CD1 4.28Å; I429-L441 HydrophobicContact CG2-CD2 4.27Å; I429-L441 WeakPolarHBondContact O-CD1 3.47Å; A431-L441 HydrophobicContact CB-CD2 3.77Å; V439-L441 PolarHBondContact O-N 3.31Å; L441-S443 PolarHBondContact O-N 3.21Å; L441-S446 VanDerWaalsContact O-CB 3.26Å; L441-S446 WeakPolarHBondContact O-CB 3.49Å; L441-S446 PolarHBondContact O-OG 3.35Å; L441-K451 HydrophobicContact CD2-CG 4.28Å
442	D	70.6	Confident	80.2	Confident	163 Å²	163	45.4 Å²	45.4	87%	0.872	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-3.5	-178.9	-55.5	-37.2	0	0	0	113	P440	P440-D442 PolarHBondContact O-N 3.15Å
443	S	65.8	Low	80.6	Confident	41 Å²	41	45.3 Å²	45.3	29%	0.287	25%	0.245	S	C	.	.	S	Bend	trans	-67.7	137.2	172.5	179.2	0	0	0	0	110.6	P440 L441 D445 S446	P440-S443 WeakPolarHBondContact O-CB 3.4Å; P440-S443 PolarHBondContact O-N 3.28Å; L441-S443 PolarHBondContact O-N 3.21Å; S443-D445 PolarHBondContact O-N 3.33Å; S443-D445 VanDerWaalsContact O-N 3.14Å; S443-D445 PolarHBondContact OG-N 3.29Å; S443-S446 WeakPolarHBondContact O-CB 3.3Å; S443-S446 PolarHBondContact O-N 3.49Å; S443-S446 PolarHBondContact O-OG 3.26Å
444	E	65.9	Low	81.2	Confident	186 Å²	186	44.9 Å²	44.9	87%	0.869	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-55.2	-29.6	172.1	-66.3	-166.7	163.2	0	0	112	S446	E444-S446 VanDerWaalsContact C-N 3.28Å; E444-S446 PolarHBondContact O-N 2.89Å
445	D	68.5	Low	82.1	Confident	47 Å²	47	42.9 Å²	42.9	25%	0.251	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-78.1	-11.1	-179.8	-65	-34.3	0	0	0	113.5	K218 S443 L447 S448 F449	K218-D445 VanDerWaalsContact CE-CG 3.47Å; K218-D445 WeakPolarHBondContact CE-OD1 3.46Å; K218-D445 IonicContact NZ-OD1 2.72Å; K218-D445 PolarHBondContact NZ-OD1 3.46Å; K218-D445 IonicContact NZ-OD2 3.35Å; S443-D445 PolarHBondContact O-N 3.33Å; S443-D445 VanDerWaalsContact O-N 3.14Å; S443-D445 PolarHBondContact OG-N 3.29Å; D445-L447 PolarHBondContact O-N 2.84Å; D445-L447 VanDerWaalsContact O-N 3.12Å; D445-S448 PolarHBondContact O-N 3.12Å; D445-S448 PolarHBondContact O-OG 3.17Å; D445-F449 HydrophobicContact CB-CE2 3.75Å; D445-F449 HydrophobicContact CB-CZ 3.81Å; D445-F449 WeakPolarHBondContact O-CD2 3.4Å
446	S	71.3	Confident	83.1	Confident	9 Å²	9	41.4 Å²	41.4	6%	0.063	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-56.7	-32.4	-177.3	68.5	0	0	0	0	112.4	L441 S443 E444 S448 F449 K451	L441-S446 VanDerWaalsContact O-CB 3.26Å; L441-S446 WeakPolarHBondContact O-CB 3.49Å; L441-S446 PolarHBondContact O-OG 3.35Å; S443-S446 WeakPolarHBondContact O-CB 3.3Å; S443-S446 PolarHBondContact O-N 3.49Å; S443-S446 PolarHBondContact O-OG 3.26Å; E444-S446 VanDerWaalsContact C-N 3.28Å; E444-S446 PolarHBondContact O-N 2.89Å; S446-S448 PolarHBondContact O-N 2.91Å; S446-F449 PolarHBondContact O-N 2.94Å; S446-F449 VanDerWaalsContact O-N 3.11Å; S446-K451 WeakPolarHBondContact O-CE 3.3Å; S446-K451 PolarHBondContact O-NZ 2.88Å
447	L	76.8	Confident	83.9	Confident	44 Å²	44	41 Å²	41	23%	0.23	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-56.7	-37.4	176.7	-70.5	174.7	0	0	0	112.2	D445 F449 K451	D445-L447 PolarHBondContact O-N 2.84Å; D445-L447 VanDerWaalsContact O-N 3.12Å; L447-F449 VanDerWaalsContact C-N 3.33Å; L447-F449 PolarHBondContact O-N 3.14Å; L447-K451 PolarHBondContact O-NZ 3.41Å
448	S	80.9	Confident	84.6	Confident	23 Å²	23	37.9 Å²	37.9	16%	0.161	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-84.8	-0.5	-178.3	71	0	0	0	0	114.4	M219 D445 S446	M219-S448 WeakPolarHBondContact CB-O 3.35Å; M219-S448 WeakPolarHBondContact CG-O 3.31Å; M219-S448 PolarHBondContact N-O 3.4Å; D445-S448 PolarHBondContact O-N 3.12Å; D445-S448 PolarHBondContact O-OG 3.17Å; S446-S448 PolarHBondContact O-N 2.91Å
449	F	89.9	Confident	84.9	Confident	9 Å²	9	36.5 Å²	36.5	4%	0.039	20%	0.2	C	C	.	.	S	Bend	trans	-102.5	151.2	177.9	-59.2	-36.3	0	0	0	111.7	S217 K218 A431 N433 V439 D445 S446 L447 K451 L480	S217-F449 WeakPolarHBondContact O-CD1 3.43Å; S217-F449 WeakPolarHBondContact O-CE1 3.35Å; K218-F449 HydrophobicContact CG-CE1 4.49Å; A431-F449 HydrophobicContact CB-CB 4.24Å; A431-F449 HydrophobicContact CB-CD2 4.49Å; N433-F449 HydrophobicContact CB-CD1 4.45Å; N433-F449 HydrophobicContact CB-CE1 4.42Å; V439-F449 HydrophobicContact CB-CD2 4.22Å; V439-F449 HydrophobicContact CB-CE2 4.26Å; V439-F449 HydrophobicContact CG1-CD2 4.29Å; V439-F449 HydrophobicContact CG1-CE2 3.94Å; V439-F449 HydrophobicContact CG2-CD2 4.29Å; V439-F449 HydrophobicContact CG2-CE2 4.16Å; D445-F449 HydrophobicContact CB-CE2 3.75Å; D445-F449 HydrophobicContact CB-CZ 3.81Å; D445-F449 WeakPolarHBondContact O-CD2 3.4Å; S446-F449 PolarHBondContact O-N 2.94Å; S446-F449 VanDerWaalsContact O-N 3.11Å; L447-F449 VanDerWaalsContact C-N 3.33Å; L447-F449 PolarHBondContact O-N 3.14Å; F449-K451 WeakPolarHBondContact O-CD 3.39Å; F449-K451 VanDerWaalsContact O-CE 3.28Å; F449-K451 WeakPolarHBondContact O-CE 3.28Å; F449-K451 PolarHBondContact O-NZ 3.17Å; F449-L480 WeakPolarHBondContact O-CD1 3.41Å
450	V	93.1	Very high	85.3	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	139.1	167.6	171.2	0	0	0	0	107.7	L227 P337 V432 L480 L502	L227-V450 HydrophobicContact CD2-CG2 4.14Å; P337-V450 HydrophobicContact CB-CB 3.67Å; P337-V450 HydrophobicContact CB-CG1 4Å; P337-V450 HydrophobicContact CB-CG2 4.14Å; P337-V450 HydrophobicContact CG-CB 3.99Å; P337-V450 HydrophobicContact CG-CG1 4.4Å; P337-V450 HydrophobicContact CG-CG2 3.87Å; V432-V450 PolarHBondContact N-O 2.92Å; V450-L480 HydrophobicContact CG2-CD1 4.27Å; V450-L502 HydrophobicContact CG1-CD1 4.13Å; V450-L502 HydrophobicContact CG2-CD1 3.93Å
451	K	93.9	Very high	85.5	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	150	176.3	-62	99.9	-176.1	151.2	0	110.3	Y388 I429 H430 A431 L441 S446 L447 F449 S478 F479 T481	Y388-K451 HydrophobicContact CE1-CD 4.25Å; I429-K451 HydrophobicContact CG2-CB 3.85Å; I429-K451 HydrophobicContact CG2-CG 4.26Å; H430-K451 CarbonylContact O-C 3.43Å; H430-K451 WeakPolarHBondContact O-CA 3.37Å; A431-K451 HydrophobicContact CB-CG 4.22Å; L441-K451 HydrophobicContact CD2-CG 4.28Å; S446-K451 WeakPolarHBondContact O-CE 3.3Å; S446-K451 PolarHBondContact O-NZ 2.88Å; L447-K451 PolarHBondContact O-NZ 3.41Å; F449-K451 WeakPolarHBondContact O-CD 3.39Å; F449-K451 VanDerWaalsContact O-CE 3.28Å; F449-K451 WeakPolarHBondContact O-CE 3.28Å; F449-K451 PolarHBondContact O-NZ 3.17Å; K451-S478 CarbonylContact O-C 3.5Å; K451-S478 VanDerWaalsContact O-CA 3.26Å; K451-S478 WeakPolarHBondContact O-CA 3.26Å; K451-F479 HydrophobicContact CB-CD1 4.07Å; K451-F479 HydrophobicContact CB-CE1 3.49Å; K451-F479 VanDerWaalsContact CB-CE1 3.49Å; K451-F479 HydrophobicContact CB-CE2 4.2Å; K451-F479 HydrophobicContact CB-CZ 3.58Å; K451-F479 HydrophobicContact CD-CE2 4.15Å; K451-F479 HydrophobicContact CD-CZ 4.25Å; K451-F479 HydrophobicContact CG-CZ 4.27Å; K451-F479 PolarHBondContact N-O 2.88Å; K451-F479 VanDerWaalsContact O-CD1 3.31Å; K451-F479 WeakPolarHBondContact O-CD1 3.47Å; K451-F479 PolarHBondContact O-N 2.89Å; K451-T481 PolarHBondContact NZ-OG1 3.04Å
452	T	94.3	Very high	85.6	Confident	17 Å²	17	32.3 Å²	32.3	10%	0.104	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	115.3	169.5	-57.9	0	0	0	0	108.6	I429 H430 E477 S478	I429-T452 WeakPolarHBondContact CA-O 3.46Å; H430-T452 PolarHBondContact N-O 3.26Å; H430-T452 PolarHBondContact O-N 3.4Å; T452-E477 WeakPolarHBondContact CA-O 3.42Å; T452-S478 PolarHBondContact OG1-OG 2.87Å
453	A	95.9	Very high	85.7	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	133.3	170.8	0	0	0	0	0	109	V381 I385 I429 S476 E477 F479	V381-A453 HydrophobicContact CG1-CB 4Å; I385-A453 HydrophobicContact CD1-CB 3.98Å; I385-A453 HydrophobicContact CG1-CB 3.6Å; I429-A453 HydrophobicContact CG1-CB 4Å; A453-S476 CarbonylContact O-C 3.17Å; A453-S476 WeakPolarHBondContact O-CA 3.48Å; A453-S476 VanDerWaalsContact O-CB 3.25Å; A453-S476 WeakPolarHBondContact O-CB 3.21Å; A453-E477 PolarHBondContact N-O 3.23Å; A453-E477 PolarHBondContact O-N 2.89Å; A453-F479 HydrophobicContact CB-CD1 4.25Å; A453-F479 HydrophobicContact CB-CE1 3.72Å
454	C	95.5	Very high	86	Confident	9 Å²	9	28.1 Å²	28.1	6%	0.061	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	137.6	-176.8	179.3	0	0	0	0	111	F427 H428 F475	F427-C454 WeakPolarHBondContact CA-O 3.48Å; F427-C454 WeakPolarHBondContact CD2-O 3.31Å; H428-C454 WeakPolarHBondContact CE1-CB 3.22Å; H428-C454 VanDerWaalsContact CE1-SG 3.55Å; H428-C454 PolarHBondContact N-O 3.39Å; H428-C454 PolarHBondContact O-N 3.44Å; C454-F475 WeakPolarHBondContact CA-O 3.36Å
455	M	96.6	Very high	85.9	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133	168.1	-175.1	173.9	-74.3	0	0	110.1	V377 A380 V381 A401 L405 M425 A426 F427 F475	V377-M455 HydrophobicContact CB-SD 4.48Å; V377-M455 HydrophobicContact CG1-CB 3.86Å; V377-M455 HydrophobicContact CG1-CG 3.96Å; V377-M455 HydrophobicContact CG1-SD 4.12Å; V377-M455 HydrophobicContact CG2-SD 4.29Å; A380-M455 HydrophobicContact CB-CE 3.68Å; A380-M455 HydrophobicContact CB-SD 3.74Å; V381-M455 HydrophobicContact CG2-CB 3.34Å; A401-M455 HydrophobicContact CB-CE 3.67Å; L405-M455 HydrophobicContact CB-SD 4.44Å; L405-M455 HydrophobicContact CD1-SD 4.46Å; L405-M455 HydrophobicContact CD2-SD 4.04Å; M425-M455 HydrophobicContact CE-CE 3.45Å; M425-M455 VanDerWaalsContact CE-CE 3.45Å; M425-M455 HydrophobicContact CE-CG 4.47Å; M425-M455 HydrophobicContact CE-SD 3.79Å; A426-M455 VanDerWaalsContact O-CA 3.3Å; A426-M455 WeakPolarHBondContact O-CA 3.33Å; F427-M455 HydrophobicContact CB-CE 4.04Å; F427-M455 HydrophobicContact CD2-CB 4.13Å; F427-M455 HydrophobicContact CD2-CE 3.73Å; F427-M455 HydrophobicContact CG-CE 4.2Å; M455-F475 PolarHBondContact N-O 2.88Å; M455-F475 PolarHBondContact O-N 3.34Å
456	T	95.4	Very high	85.6	Confident	7 Å²	7	22 Å²	22	4%	0.043	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136.3	175.6	-56.9	0	0	0	0	109.7	L300 M425 A426 Y458 V473 V474	L300-T456 HydrophobicContact CD1-CG2 4.27Å; M425-T456 CarbonylContact C-O 3.4Å; M425-T456 VanDerWaalsContact CA-O 3.27Å; M425-T456 WeakPolarHBondContact CA-O 3.46Å; A426-T456 PolarHBondContact N-O 3.15Å; A426-T456 PolarHBondContact O-N 3.16Å; T456-Y458 HydrophobicContact CG2-CD1 3.55Å; T456-Y458 HydrophobicContact CG2-CD2 4.02Å; T456-Y458 HydrophobicContact CG2-CE1 3.33Å; T456-Y458 HydrophobicContact CG2-CE2 3.81Å; T456-Y458 HydrophobicContact CG2-CG 3.9Å; T456-Y458 VanDerWaalsContact CG2-CZ 3.46Å; T456-V473 WeakPolarHBondContact CA-O 3.37Å; T456-V474 HydrophobicContact CG2-CG2 3.71Å
457	V	95.8	Very high	85.1	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	108.1	166.3	-176.5	0	0	0	0	107.5	V377 L421 M425 I460 S472 V473	V377-V457 HydrophobicContact CG2-CG2 3.74Å; L421-V457 HydrophobicContact CB-CG1 4.4Å; L421-V457 HydrophobicContact CD2-CG1 4.04Å; M425-V457 HydrophobicContact CB-CG2 4.27Å; V457-I460 HydrophobicContact CG1-CD1 4.43Å; V457-I460 HydrophobicContact CG1-CG1 4.08Å; V457-S472 WeakPolarHBondContact O-CA 3.31Å; V457-S472 WeakPolarHBondContact O-CB 3.29Å; V457-V473 HydrophobicContact CB-CG2 3.94Å; V457-V473 HydrophobicContact CG2-CG2 4.3Å; V457-V473 PolarHBondContact N-O 2.9Å; V457-V473 PolarHBondContact O-N 3.32Å; V457-V473 VanDerWaalsContact O-N 3.1Å
458	Y	93.9	Very high	84.9	Confident	24 Å²	24	30 Å²	30	9%	0.094	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	146.5	-172.2	-66.2	-73.9	0	0	0	112.7	R297 L300 K424 A426 T456 I460 S472	R297-Y458 HydrophobicContact CB-CD1 3.58Å; R297-Y458 HydrophobicContact CB-CE1 4.16Å; R297-Y458 HydrophobicContact CB-CG 4Å; R297-Y458 HydrophobicContact CG-CD1 3.7Å; R297-Y458 HydrophobicContact CG-CD2 4.46Å; R297-Y458 HydrophobicContact CG-CE1 3.89Å; R297-Y458 HydrophobicContact CG-CG 4.01Å; L300-Y458 HydrophobicContact CB-CE1 4.36Å; L300-Y458 HydrophobicContact CD1-CD1 4.07Å; L300-Y458 HydrophobicContact CD1-CE1 3.92Å; K424-Y458 WeakPolarHBondContact CB-O 3.36Å; K424-Y458 WeakPolarHBondContact CD-O 3.43Å; K424-Y458 WeakPolarHBondContact O-CD2 3.45Å; K424-Y458 PolarHBondContact O-N 2.84Å; A426-Y458 HydrophobicContact CB-CE2 3.81Å; T456-Y458 HydrophobicContact CG2-CD1 3.55Å; T456-Y458 HydrophobicContact CG2-CD2 4.02Å; T456-Y458 HydrophobicContact CG2-CE1 3.33Å; T456-Y458 HydrophobicContact CG2-CE2 3.81Å; T456-Y458 HydrophobicContact CG2-CG 3.9Å; T456-Y458 VanDerWaalsContact CG2-CZ 3.46Å; Y458-I460 PolarHBondContact O-N 3.4Å; Y458-S472 WeakPolarHBondContact CA-OG 3.39Å
459	D	91.1	Very high	85.1	Confident	35 Å²	35	31 Å²	31	19%	0.187	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	46.3	56.7	163.1	-47.6	-47.7	0	0	0	113.7	T296 R297 K424 P461 C469 S472	T296-D459 VanDerWaalsContact CA-OD1 3.27Å; T296-D459 WeakPolarHBondContact CA-OD1 3.31Å; R297-D459 WeakPolarHBondContact CB-OD2 3.25Å; R297-D459 PolarHBondContact N-OD1 3.37Å; K424-D459 PolarHBondContact NZ-O 3.22Å; D459-P461 WeakPolarHBondContact O-CD 3.47Å; D459-C469 VanDerWaalsContact C-SG 3.57Å; D459-C469 VanDerWaalsContact CA-SG 3.54Å; D459-S472 PolarHBondContact N-OG 3.17Å
460	I	91.4	Very high	85	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	120.7	-178.7	-60.5	172.5	0	0	0	108.8	L370 I373 L421 V457 Y458 L470 G471 V473	L370-I460 HydrophobicContact CD2-CD1 3.86Å; L370-I460 HydrophobicContact CD2-CG2 4.37Å; I373-I460 HydrophobicContact CD1-CD1 4.19Å; I373-I460 HydrophobicContact CD1-CG2 4.13Å; I373-I460 HydrophobicContact CG2-CD1 4.27Å; L421-I460 HydrophobicContact CD2-CG1 4.23Å; L421-I460 HydrophobicContact CD2-CG2 4.11Å; V457-I460 HydrophobicContact CG1-CD1 4.43Å; V457-I460 HydrophobicContact CG1-CG1 4.08Å; Y458-I460 PolarHBondContact O-N 3.4Å; I460-L470 HydrophobicContact CG2-CD1 4.47Å; I460-L470 PolarHBondContact O-N 3.46Å; I460-G471 WeakPolarHBondContact CB-O 3.37Å; I460-G471 PolarHBondContact N-O 3.4Å; I460-V473 HydrophobicContact CD1-CB 4.44Å; I460-V473 HydrophobicContact CD1-CG1 3.77Å; I460-V473 HydrophobicContact CD1-CG2 4.04Å
461	P	86.8	Confident	84.8	Confident	40 Å²	40	30.6 Å²	30.6	26%	0.26	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	156.1	176.9	27.1	-32.3	0	0	0	111.7	D459 L463	D459-P461 WeakPolarHBondContact O-CD 3.47Å; P461-L463 HydrophobicContact CB-CD2 4.32Å; P461-L463 HydrophobicContact CG-CD2 3.64Å; P461-L463 HydrophobicContact CG-CG 4.29Å; P461-L463 WeakPolarHBondContact O-CG 3.26Å; P461-L463 PolarHBondContact O-N 3.1Å
462	D	83.6	Confident	84.9	Confident	22 Å²	22	30.6 Å²	30.6	12%	0.118	20%	0.202	C	C	.	.			trans	-74.4	93.9	170.9	-173.8	2	0	0	0	110.7	Q366 L464 G466 G468 L470	Q366-D462 VanDerWaalsContact NE2-CG 3.25Å; Q366-D462 PolarHBondContact NE2-OD1 3.2Å; Q366-D462 PolarHBondContact NE2-OD2 2.82Å; D462-L464 PolarHBondContact O-N 3.04Å; D462-L464 PolarHBondContact OD1-N 3.17Å; D462-G466 VanDerWaalsContact OD2-CA 3.28Å; D462-G466 WeakPolarHBondContact OD2-CA 3.02Å; D462-G466 PolarHBondContact OD2-N 2.94Å; D462-G468 PolarHBondContact N-O 3.05Å; D462-L470 HydrophobicContact CB-CD2 4.05Å; D462-L470 HydrophobicContact CB-CG 4.12Å
463	L	74.1	Confident	84.9	Confident	35 Å²	35	29.8 Å²	29.8	18%	0.183	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-10.2	-171.9	-64.3	173.4	0	0	0	114.2	L369 F417 P461	L369-L463 HydrophobicContact CD1-CD1 4.46Å; L369-L463 HydrophobicContact CD2-CB 3.93Å; L369-L463 HydrophobicContact CD2-CD1 4.04Å; L369-L463 HydrophobicContact CD2-CG 4.39Å; F417-L463 HydrophobicContact CB-CD1 3.58Å; F417-L463 HydrophobicContact CB-CD2 4.33Å; F417-L463 HydrophobicContact CD1-CB 4.06Å; F417-L463 HydrophobicContact CD1-CD1 3.74Å; F417-L463 HydrophobicContact CD1-CD2 3.26Å; F417-L463 HydrophobicContact CD1-CG 3.82Å; F417-L463 HydrophobicContact CD2-CB 4.35Å; F417-L463 HydrophobicContact CD2-CD1 3.67Å; F417-L463 HydrophobicContact CD2-CG 4.4Å; F417-L463 HydrophobicContact CE1-CB 3.74Å; F417-L463 HydrophobicContact CE1-CD1 4.29Å; F417-L463 HydrophobicContact CE1-CD2 3.59Å; F417-L463 HydrophobicContact CE1-CG 4.03Å; F417-L463 HydrophobicContact CE2-CB 4.05Å; F417-L463 HydrophobicContact CE2-CD1 4.23Å; F417-L463 HydrophobicContact CG-CB 4.33Å; F417-L463 HydrophobicContact CG-CD1 3.36Å; F417-L463 HydrophobicContact CG-CD2 3.86Å; F417-L463 HydrophobicContact CG-CG 3.99Å; F417-L463 HydrophobicContact CZ-CB 3.73Å; F417-L463 HydrophobicContact CZ-CD2 4.42Å; F417-L463 HydrophobicContact CZ-CG 4.4Å; P461-L463 HydrophobicContact CB-CD2 4.32Å; P461-L463 HydrophobicContact CG-CD2 3.64Å; P461-L463 HydrophobicContact CG-CG 4.29Å; P461-L463 WeakPolarHBondContact O-CG 3.26Å; P461-L463 PolarHBondContact O-N 3.1Å
464	L	72	Confident	84.9	Confident	81 Å²	81	30 Å²	30	42%	0.424	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	15	-175.2	-63.6	174.1	0	0	0	113.4	E365 Q366 L369 D462	E365-L464 HydrophobicContact CB-CD1 3.57Å; Q366-L464 HydrophobicContact CG-CD1 3.83Å; L369-L464 HydrophobicContact CD2-CG 4.47Å; D462-L464 PolarHBondContact O-N 3.04Å; D462-L464 PolarHBondContact OD1-N 3.17Å
465	G	62.7	Low	85	Confident	77 Å²	77	29.6 Å²	29.6	79%	0.794	20%	0.195	S	C	*	.	S	Bend	trans	107.3	15.4	168.9	0	0	0	0	0	116
466	G	63.3	Low	84.9	Confident	29 Å²	29	29.7 Å²	29.7	30%	0.299	20%	0.196	S	C	.	.			trans	-92.8	144.6	169.4	0	0	0	0	0	112.8	D462 G468	D462-G466 VanDerWaalsContact OD2-CA 3.28Å; D462-G466 WeakPolarHBondContact OD2-CA 3.02Å; D462-G466 PolarHBondContact OD2-N 2.94Å; G466-G468 PolarHBondContact O-N 3.45Å
467	N	60.9	Low	85	Confident	185 Å²	185	29.3 Å²	29.3	99%	0.989	19%	0.193	S	C	*	.	S	Bend	trans	-81.8	86.1	167.2	-81	-9	0	0	0	108.6
468	G	72.3	Confident	85	Confident	36 Å²	36	29.3 Å²	29.3	37%	0.371	19%	0.193	S	C	.	.	S	Bend	trans	-173.3	167.9	-179.9	0	0	0	0	0	114.7	D462 G466	D462-G468 PolarHBondContact N-O 3.05Å; G466-G468 PolarHBondContact O-N 3.45Å
469	C	84.7	Confident	85	Confident	42 Å²	42	28.1 Å²	28.1	28%	0.284	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	138.6	166.7	-175.9	0	0	0	0	108	N293 D459 G471	N293-C469 PolarHBondContact ND2-O 3.29Å; N293-C469 PolarHBondContact OD1-O 2.86Å; D459-C469 VanDerWaalsContact C-SG 3.57Å; D459-C469 VanDerWaalsContact CA-SG 3.54Å; C469-G471 PolarHBondContact SG-N 3.47Å; C469-G471 VanDerWaalsContact SG-N 3.36Å
470	L	87.1	Confident	85.1	Confident	3 Å²	3	26.5 Å²	26.5	2%	0.016	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-18.7	173.4	-65	178.2	0	0	0	112.1	N293 P319 H326 L370 I460 D462	N293-L470 PolarHBondContact OD1-O 2.55Å; P319-L470 HydrophobicContact CG-CD2 3.72Å; H326-L470 PolarHBondContact CE1-O 3.18Å; L370-L470 HydrophobicContact CD1-CB 4.49Å; L370-L470 HydrophobicContact CD1-CD1 4.48Å; L370-L470 HydrophobicContact CD2-CB 4.27Å; L370-L470 HydrophobicContact CD2-CD1 4.2Å; L370-L470 HydrophobicContact CG-CD1 4.29Å; I460-L470 HydrophobicContact CG2-CD1 4.47Å; I460-L470 PolarHBondContact O-N 3.46Å; D462-L470 HydrophobicContact CB-CD2 4.05Å; D462-L470 HydrophobicContact CB-CG 4.12Å
471	G	90.8	Very high	85.2	Confident	0 Å²	0	27 Å²	27	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	111.7	-165.7	-172.2	0	0	0	0	0	112.2	S295 I460 C469	S295-G471 WeakPolarHBondContact OG-CA 3.37Å; I460-G471 WeakPolarHBondContact CB-O 3.37Å; I460-G471 PolarHBondContact N-O 3.4Å; C469-G471 PolarHBondContact SG-N 3.47Å; C469-G471 VanDerWaalsContact SG-N 3.36Å
472	S	94.1	Very high	85.4	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	158.8	178.8	-52.4	0	0	0	0	111.6	S295 H326 V328 V457 Y458 D459	S295-S472 WeakPolarHBondContact O-CB 3.43Å; S295-S472 PolarHBondContact O-N 3.25Å; S295-S472 VanDerWaalsContact O-N 3.11Å; S295-S472 PolarHBondContact O-OG 3.14Å; S295-S472 PolarHBondContact OG-N 3.14Å; S295-S472 PolarHBondContact OG-O 3.39Å; H326-S472 PolarHBondContact NE2-O 3.4Å; V328-S472 VanDerWaalsContact CG2-O 3.25Å; V328-S472 WeakPolarHBondContact CG2-O 3.43Å; V457-S472 WeakPolarHBondContact O-CA 3.31Å; V457-S472 WeakPolarHBondContact O-CB 3.29Å; Y458-S472 WeakPolarHBondContact CA-OG 3.39Å; D459-S472 PolarHBondContact N-OG 3.17Å
473	V	95.6	Very high	85.8	Confident	0 Å²	0	26 Å²	26	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	139.7	167.7	-57	0	0	0	0	110.1	T343 L370 I373 Y374 V377 T456 V457 I460	T343-V473 HydrophobicContact CG2-CB 4.33Å; T343-V473 HydrophobicContact CG2-CG1 4.09Å; L370-V473 HydrophobicContact CD2-CG1 4.34Å; I373-V473 HydrophobicContact CG2-CG2 3.97Å; Y374-V473 HydrophobicContact CD2-CB 4.49Å; V377-V473 HydrophobicContact CG2-CG2 4.21Å; T456-V473 WeakPolarHBondContact CA-O 3.37Å; V457-V473 HydrophobicContact CB-CG2 3.94Å; V457-V473 HydrophobicContact CG2-CG2 4.3Å; V457-V473 PolarHBondContact N-O 2.9Å; V457-V473 PolarHBondContact O-N 3.32Å; V457-V473 VanDerWaalsContact O-N 3.1Å; I460-V473 HydrophobicContact CD1-CB 4.44Å; I460-V473 HydrophobicContact CD1-CG1 3.77Å; I460-V473 HydrophobicContact CD1-CG2 4.04Å
474	V	95.1	Very high	86.7	Confident	4 Å²	4	24.6 Å²	24.6	2%	0.024	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	137.2	-180	-173.9	0	0	0	0	109.5	L300 V328 T343 Y374 T456	L300-V474 HydrophobicContact CD1-CG2 4.02Å; L300-V474 HydrophobicContact CD2-CG2 4.22Å; V328-V474 HydrophobicContact CG1-CB 3.58Å; V328-V474 HydrophobicContact CG1-CG2 3.57Å; T343-V474 PolarHBondContact N-O 3.23Å; T343-V474 PolarHBondContact OG1-N 3.28Å; T343-V474 PolarHBondContact OG1-O 3.48Å; Y374-V474 WeakPolarHBondContact CE2-O 3.29Å; T456-V474 HydrophobicContact CG2-CG2 3.71Å
475	F	97	Very high	87.6	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	133.3	168.2	-177	-115.4	0	0	0	109.9	Y374 V377 I378 V381 V382 C454 M455 E477 R508	Y374-F475 HydrophobicContact CD2-CB 4.47Å; Y374-F475 HydrophobicContact CE2-CB 3.8Å; Y374-F475 HydrophobicContact CE2-CD2 4.07Å; Y374-F475 HydrophobicContact CE2-CG 4.28Å; V377-F475 HydrophobicContact CG1-CB 3.77Å; I378-F475 HydrophobicContact CB-CD1 4.25Å; I378-F475 HydrophobicContact CB-CE1 4.18Å; I378-F475 HydrophobicContact CB-CZ 4.44Å; I378-F475 HydrophobicContact CD1-CD2 4.43Å; I378-F475 HydrophobicContact CD1-CE2 4.45Å; I378-F475 HydrophobicContact CG1-CB 4.39Å; I378-F475 HydrophobicContact CG1-CD1 3.87Å; I378-F475 HydrophobicContact CG1-CD2 3.7Å; I378-F475 HydrophobicContact CG1-CE1 4.01Å; I378-F475 HydrophobicContact CG1-CE2 3.85Å; I378-F475 HydrophobicContact CG1-CG 3.71Å; I378-F475 HydrophobicContact CG1-CZ 4Å; I378-F475 HydrophobicContact CG2-CE1 4.02Å; I378-F475 HydrophobicContact CG2-CZ 4.04Å; V381-F475 HydrophobicContact CB-CD1 3.62Å; V381-F475 HydrophobicContact CB-CE1 3.88Å; V381-F475 HydrophobicContact CG1-CD1 3.89Å; V381-F475 HydrophobicContact CG1-CE1 3.89Å; V381-F475 HydrophobicContact CG2-CD1 3.79Å; V382-F475 HydrophobicContact CG2-CE1 4.46Å; C454-F475 WeakPolarHBondContact CA-O 3.36Å; M455-F475 PolarHBondContact N-O 2.88Å; M455-F475 PolarHBondContact O-N 3.34Å; F475-E477 HydrophobicContact CE1-CG 3.72Å; F475-E477 HydrophobicContact CE2-CG 4.23Å; F475-E477 HydrophobicContact CZ-CG 3.43Å; F475-E477 VanDerWaalsContact CZ-CG 3.43Å; F475-E477 WeakPolarHBondContact CZ-OE1 3.18Å; F475-R508 HydrophobicContact CE2-CB 4.33Å; F475-R508 HydrophobicContact CE2-CG 3.98Å; F475-R508 HydrophobicContact CZ-CG 4.19Å
476	S	96.1	Very high	89.1	Confident	2 Å²	2	19.1 Å²	19.1	1%	0.014	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	151.9	172.4	75.7	0	0	0	0	113	C340 S341 R342 A453	C340-S476 WeakPolarHBondContact CA-OG 2.98Å; C340-S476 WeakPolarHBondContact CB-O 3.4Å; S341-S476 VanDerWaalsContact CB-OG 3.26Å; S341-S476 WeakPolarHBondContact CB-OG 3.45Å; S341-S476 PolarHBondContact N-OG 3.08Å; S341-S476 PolarHBondContact O-N 2.87Å; S341-S476 PolarHBondContact OG-OG 3.22Å; R342-S476 PolarHBondContact NH1-O 2.8Å; A453-S476 CarbonylContact O-C 3.17Å; A453-S476 WeakPolarHBondContact O-CA 3.48Å; A453-S476 VanDerWaalsContact O-CB 3.25Å; A453-S476 WeakPolarHBondContact O-CB 3.21Å
477	E	95.9	Very high	90.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	137.1	-179.7	-70.4	-78.9	-148	0	0	110.6	R342 I385 T452 A453 F475 V501 T503 R508	R342-E477 IonicContact CZ-OE2 2.77Å; R342-E477 IonicContact NH1-OE2 3.56Å; R342-E477 VanDerWaalsContact NH2-CD 3.3Å; R342-E477 IonicContact NH2-OE1 3.85Å; R342-E477 PolarHBondContact NH2-OE1 3.46Å; R342-E477 IonicContact NH2-OE2 3.19Å; R342-E477 PolarHBondContact NH2-OE2 2.76Å; I385-E477 HydrophobicContact CD1-CB 3.96Å; T452-E477 WeakPolarHBondContact CA-O 3.42Å; A453-E477 PolarHBondContact N-O 3.23Å; A453-E477 PolarHBondContact O-N 2.89Å; F475-E477 HydrophobicContact CE1-CG 3.72Å; F475-E477 HydrophobicContact CE2-CG 4.23Å; F475-E477 HydrophobicContact CZ-CG 3.43Å; F475-E477 VanDerWaalsContact CZ-CG 3.43Å; F475-E477 WeakPolarHBondContact CZ-OE1 3.18Å; E477-V501 HydrophobicContact CB-CG1 3.77Å; E477-V501 HydrophobicContact CG-CG1 3.94Å; E477-T503 VanDerWaalsContact OE2-CB 3.3Å; E477-T503 WeakPolarHBondContact OE2-CB 3.49Å; E477-T503 PolarHBondContact OE2-OG1 2.88Å; E477-R508 IonicContact OE1-CZ 2.66Å; E477-R508 IonicContact OE1-NE 2.62Å; E477-R508 PolarHBondContact OE1-NE 3.15Å; E477-R508 IonicContact OE1-NH2 3.81Å; E477-R508 PolarHBondContact OE1-NH2 2.7Å; E477-R508 VanDerWaalsContact OE1-NH2 3.09Å
478	S	95.9	Very high	91.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	128	165.7	-70.2	0	0	0	0	110.1	A339 K451 T452 L502 T503	A339-S478 PolarHBondContact N-OG 3.19Å; A339-S478 PolarHBondContact O-OG 2.75Å; K451-S478 CarbonylContact O-C 3.5Å; K451-S478 VanDerWaalsContact O-CA 3.26Å; K451-S478 WeakPolarHBondContact O-CA 3.26Å; T452-S478 PolarHBondContact OG1-OG 2.87Å; S478-L502 PolarHBondContact O-N 3.2Å; S478-T503 PolarHBondContact N-OG1 3.15Å
479	F	95	Very high	92.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	155.8	-178.8	72.8	-80.4	0	0	0	111.8	I385 Y388 I429 K451 A453 T481 I500 V501	I385-F479 HydrophobicContact CD1-CD1 3.91Å; I385-F479 HydrophobicContact CD1-CE1 4.41Å; I385-F479 HydrophobicContact CD1-CG 4.27Å; I385-F479 HydrophobicContact CG1-CD1 3.85Å; I385-F479 HydrophobicContact CG1-CE1 3.89Å; I385-F479 HydrophobicContact CG1-CG 4.26Å; I385-F479 HydrophobicContact CG1-CZ 4.3Å; I385-F479 HydrophobicContact CG2-CB 4.22Å; I385-F479 HydrophobicContact CG2-CD1 4.21Å; I385-F479 HydrophobicContact CG2-CD2 3.61Å; I385-F479 HydrophobicContact CG2-CE2 3.93Å; I385-F479 HydrophobicContact CG2-CG 3.76Å; I385-F479 HydrophobicContact CG2-CZ 4.37Å; Y388-F479 AromaticContact CD1-CE2 3.91Å; Y388-F479 HydrophobicContact CD1-CE2 3.91Å; Y388-F479 AromaticContact CD1-CZ 3.89Å; Y388-F479 HydrophobicContact CD1-CZ 3.89Å; Y388-F479 HydrophobicContact CE1-CZ 4.45Å; I429-F479 HydrophobicContact CG2-CE1 4.1Å; I429-F479 HydrophobicContact CG2-CZ 4.04Å; K451-F479 HydrophobicContact CB-CD1 4.07Å; K451-F479 HydrophobicContact CB-CE1 3.49Å; K451-F479 VanDerWaalsContact CB-CE1 3.49Å; K451-F479 HydrophobicContact CB-CE2 4.2Å; K451-F479 HydrophobicContact CB-CZ 3.58Å; K451-F479 HydrophobicContact CD-CE2 4.15Å; K451-F479 HydrophobicContact CD-CZ 4.25Å; K451-F479 HydrophobicContact CG-CZ 4.27Å; K451-F479 PolarHBondContact N-O 2.88Å; K451-F479 VanDerWaalsContact O-CD1 3.31Å; K451-F479 WeakPolarHBondContact O-CD1 3.47Å; K451-F479 PolarHBondContact O-N 2.89Å; A453-F479 HydrophobicContact CB-CD1 4.25Å; A453-F479 HydrophobicContact CB-CE1 3.72Å; F479-T481 HydrophobicContact CD2-CG2 3.88Å; F479-T481 HydrophobicContact CE2-CG2 3.6Å; F479-I500 CarbonylContact C-O 3.55Å; F479-I500 WeakPolarHBondContact CA-O 3.5Å; F479-I500 VanDerWaalsContact CB-O 3.3Å; F479-I500 WeakPolarHBondContact CB-O 3.44Å; F479-V501 HydrophobicContact CB-CG2 4.18Å
480	L	93.8	Very high	92.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	142.4	174.5	-172.1	62.6	0	0	0	109.4	L224 F449 V450 S499 I500 F708 F712	L224-L480 HydrophobicContact CD1-CD2 4.09Å; L224-L480 HydrophobicContact CD2-CD2 4.21Å; F449-L480 WeakPolarHBondContact O-CD1 3.41Å; V450-L480 HydrophobicContact CG2-CD1 4.27Å; L480-S499 CarbonylContact O-C 3.53Å; L480-S499 VanDerWaalsContact O-CA 3.26Å; L480-S499 WeakPolarHBondContact O-CA 3.2Å; L480-I500 HydrophobicContact CB-CG2 4.16Å; L480-I500 PolarHBondContact N-O 3.41Å; L480-I500 PolarHBondContact O-N 3.12Å; L480-F708 HydrophobicContact CB-CE1 4.5Å; L480-F708 HydrophobicContact CB-CZ 3.98Å; L480-F708 HydrophobicContact CD2-CE1 3.86Å; L480-F708 HydrophobicContact CD2-CZ 3.81Å; L480-F708 HydrophobicContact CG-CE1 4.33Å; L480-F708 HydrophobicContact CG-CZ 3.79Å; L480-F712 HydrophobicContact CD2-CD2 4.28Å; L480-F712 HydrophobicContact CD2-CE1 4.48Å; L480-F712 HydrophobicContact CD2-CE2 3.89Å; L480-F712 HydrophobicContact CD2-CZ 3.99Å; L480-F712 HydrophobicContact CG-CE2 4.42Å
481	T	92.6	Very high	92.1	Very high	10 Å²	10	24.1 Å²	24.1	6%	0.061	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	145.9	178.6	54.9	0	0	0	0	109.2	Y388 A389 K451 F479 C498	Y388-T481 HydrophobicContact CD1-CG2 4.38Å; A389-T481 HydrophobicContact CB-CG2 4.08Å; K451-T481 PolarHBondContact NZ-OG1 3.04Å; F479-T481 HydrophobicContact CD2-CG2 3.88Å; F479-T481 HydrophobicContact CE2-CG2 3.6Å; T481-C498 CarbonylContact C-O 3.57Å
482	S	91.7	Very high	92.1	Very high	4 Å²	4	27.4 Å²	27.4	3%	0.028	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.1	176.2	177.9	0	0	0	0	109	T497 C498 H711 F712 S715	S482-T497 WeakPolarHBondContact O-CA 3.3Å; S482-C498 PolarHBondContact N-O 3.43Å; S482-C498 PolarHBondContact O-N 2.93Å; S482-H711 WeakPolarHBondContact CB-ND1 3.49Å; S482-H711 PolarHBondContact O-CE1 2.85Å; S482-H711 PolarHBondContact OG-CE1 2.79Å; S482-H711 PolarHBondContact OG-ND1 2.84Å; S482-F712 WeakPolarHBondContact OG-CA 3.49Å; S482-S715 WeakPolarHBondContact OG-CB 3.31Å; S482-S715 PolarHBondContact OG-OG 2.99Å
483	Q	91.5	Very high	92	Very high	38 Å²	38	31.3 Å²	31.3	18%	0.178	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	126.3	-174.1	-173.6	177.5	-11.8	0	0	109.7	T495 E496 T497 S715	Q483-T495 VanDerWaalsContact CD-CG2 3.47Å; Q483-T495 HydrophobicContact CG-CG2 3.22Å; Q483-E496 WeakPolarHBondContact CA-O 3.47Å; Q483-T497 HydrophobicContact CG-CG2 4.37Å; Q483-S715 WeakPolarHBondContact O-CB 3.27Å
484	I	92.2	Very high	91.9	Very high	6 Å²	6	33.8 Å²	33.8	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.8	173.4	-59.7	171.3	0	0	0	107.7	V486 E496 I714 V722 L727 L731	I484-V486 HydrophobicContact CG2-CG2 4.06Å; I484-E496 HydrophobicContact CB-CB 4.49Å; I484-E496 PolarHBondContact N-O 2.98Å; I484-E496 PolarHBondContact O-N 3.26Å; I484-I714 HydrophobicContact CD1-CB 3.86Å; I484-I714 HydrophobicContact CD1-CD1 4.03Å; I484-I714 HydrophobicContact CD1-CG2 3.94Å; I484-I714 HydrophobicContact CG1-CB 4.33Å; I484-I714 HydrophobicContact CG1-CG2 4.16Å; I484-I714 HydrophobicContact CG2-CG2 4.28Å; I484-V722 HydrophobicContact CG2-CG1 4.42Å; I484-V722 HydrophobicContact CG2-CG2 3.57Å; I484-L727 HydrophobicContact CD1-CD1 4.38Å; I484-L727 HydrophobicContact CG2-CD1 4.31Å; I484-L731 HydrophobicContact CD1-CD2 4.28Å
485	L	92.4	Very high	91.6	Very high	42 Å²	42	36.9 Å²	36.9	22%	0.22	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	125	171.3	-65.2	178.8	0	0	0	108.8	V493 Q719 P721 V722	L485-V493 HydrophobicContact CB-CG1 4.08Å; L485-V493 HydrophobicContact CD2-CG1 4.32Å; L485-Q719 WeakPolarHBondContact CD1-O 3.19Å; L485-P721 HydrophobicContact CB-CB 4.22Å; L485-P721 CarbonylContact O-C 3.46Å; L485-P721 VanDerWaalsContact O-CA 3.28Å; L485-P721 WeakPolarHBondContact O-CA 3.33Å; L485-V722 PolarHBondContact O-N 3.03Å
486	V	93.1	Very high	91.4	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.6	-174.1	-176.8	0	0	0	0	109	I484 V493 T494 E496 V722 R724 L727	I484-V486 HydrophobicContact CG2-CG2 4.06Å; V486-V493 CarbonylContact O-C 3.56Å; V486-V493 WeakPolarHBondContact O-CA 3.39Å; V486-T494 PolarHBondContact N-O 2.97Å; V486-T494 PolarHBondContact O-N 3.48Å; V486-T494 PolarHBondContact O-OG1 2.75Å; V486-E496 HydrophobicContact CG2-CB 3.92Å; V486-V722 CarbonylContact C-O 3.57Å; V486-V722 WeakPolarHBondContact CA-O 3.45Å; V486-V722 HydrophobicContact CG2-CG2 4.09Å; V486-R724 HydrophobicContact CG1-CB 3.79Å; V486-R724 HydrophobicContact CG1-CG 4.33Å; V486-L727 HydrophobicContact CG1-CD2 4.49Å; V486-L727 HydrophobicContact CG2-CD1 4.35Å; V486-L727 HydrophobicContact CG2-CD2 3.97Å
487	K	91.6	Very high	91.2	Very high	50 Å²	50	41.8 Å²	41.8	22%	0.217	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	121.8	174.8	-170.2	167.3	-174.6	175.6	0	110	T492 P721 V722 M723 R724 E960	K487-T492 WeakPolarHBondContact CA-O 3.23Å; K487-P721 HydrophobicContact CB-CB 4.31Å; K487-V722 PolarHBondContact N-O 2.96Å; K487-M723 HydrophobicContact CB-SD 3.84Å; K487-M723 HydrophobicContact CD-CE 3.8Å; K487-M723 HydrophobicContact CD-SD 4.09Å; K487-M723 HydrophobicContact CG-CE 4.33Å; K487-M723 HydrophobicContact CG-SD 4.02Å; K487-R724 PolarHBondContact O-N 3.28Å; K487-E960 WeakPolarHBondContact CD-OE1 3.34Å; K487-E960 IonicContact NZ-OE1 3.63Å; K487-E960 PolarHBondContact NZ-OE1 2.8Å
488	E	90.8	Very high	91	Very high	49 Å²	49	42.5 Å²	42.5	23%	0.229	24%	0.242	C	C	.	.			trans	-79.2	164.1	176.8	-63.2	-59.6	161.3	0	0	111.4	D490 G491 T492 T494 R724	E488-D490 WeakPolarHBondContact CB-OD1 3.24Å; E488-D490 PolarHBondContact O-N 3.09Å; E488-G491 PolarHBondContact O-N 3.33Å; E488-T492 WeakPolarHBondContact CB-OG1 3.37Å; E488-T492 PolarHBondContact N-O 3.44Å; E488-T494 HydrophobicContact CG-CG2 3.7Å; E488-T494 PolarHBondContact OE1-OG1 2.98Å; E488-R724 WeakPolarHBondContact OE2-CG 3.33Å
489	N	83.3	Confident	90.8	Very high	137 Å²	137	43.9 Å²	43.9	73%	0.733	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-23	-178.2	-68	-28.6	0	0	0	113.4	G491	N489-G491 VanDerWaalsContact C-N 3.27Å
490	D	82.6	Confident	90.7	Very high	123 Å²	123	44.1 Å²	44.1	66%	0.658	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-2	174.6	64.8	1.1	0	0	0	113.1	E488 T492	E488-D490 WeakPolarHBondContact CB-OD1 3.24Å; E488-D490 PolarHBondContact O-N 3.09Å; D490-T492 WeakPolarHBondContact OD1-CB 3.37Å; D490-T492 WeakPolarHBondContact OD1-CG2 3.46Å; D490-T492 PolarHBondContact OD1-N 3.28Å; D490-T492 PolarHBondContact OD1-OG1 3.15Å; D490-T492 PolarHBondContact OD2-OG1 3.48Å
491	G	82.6	Confident	90.7	Very high	41 Å²	41	45.3 Å²	45.3	42%	0.423	26%	0.261	S	S	.	.	S	Bend	trans	88.1	-2.4	-178.8	0	0	0	0	0	114.6	E488 N489	E488-G491 PolarHBondContact O-N 3.33Å; N489-G491 VanDerWaalsContact C-N 3.27Å
492	T	91.1	Very high	90.7	Very high	69 Å²	69	44.9 Å²	44.9	42%	0.423	26%	0.258	S	S	.	.			trans	-68.9	147.7	173.8	62.6	0	0	0	0	110.9	K487 E488 D490	K487-T492 WeakPolarHBondContact CA-O 3.23Å; E488-T492 WeakPolarHBondContact CB-OG1 3.37Å; E488-T492 PolarHBondContact N-O 3.44Å; D490-T492 WeakPolarHBondContact OD1-CB 3.37Å; D490-T492 WeakPolarHBondContact OD1-CG2 3.46Å; D490-T492 PolarHBondContact OD1-N 3.28Å; D490-T492 PolarHBondContact OD1-OG1 3.15Å; D490-T492 PolarHBondContact OD2-OG1 3.48Å
493	V	92.3	Very high	90.9	Very high	82 Å²	82	44.8 Å²	44.8	50%	0.497	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	116.3	175.8	-177.9	0	0	0	0	108.4	L485 V486	L485-V493 HydrophobicContact CB-CG1 4.08Å; L485-V493 HydrophobicContact CD2-CG1 4.32Å; V486-V493 CarbonylContact O-C 3.56Å; V486-V493 WeakPolarHBondContact O-CA 3.39Å
494	T	92.8	Very high	90.8	Very high	52 Å²	52	43.7 Å²	43.7	32%	0.319	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	166.7	174.5	60.2	0	0	0	0	109.8	V486 E488	V486-T494 PolarHBondContact N-O 2.97Å; V486-T494 PolarHBondContact O-N 3.48Å; V486-T494 PolarHBondContact O-OG1 2.75Å; E488-T494 HydrophobicContact CG-CG2 3.7Å; E488-T494 PolarHBondContact OE1-OG1 2.98Å
495	T	90.3	Very high	90.6	Very high	70 Å²	70	44 Å²	44	43%	0.429	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.3	-179.8	-58.8	0	0	0	0	109	Q483 T497	Q483-T495 VanDerWaalsContact CD-CG2 3.47Å; Q483-T495 HydrophobicContact CG-CG2 3.22Å; T495-T497 HydrophobicContact CG2-CG2 3.59Å
496	E	91.6	Very high	90.5	Very high	65 Å²	65	42.1 Å²	42.1	30%	0.304	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.9	167.5	-169.2	78.3	-145.6	0	0	108.1	Q483 I484 V486 R724 L727	Q483-E496 WeakPolarHBondContact CA-O 3.47Å; I484-E496 HydrophobicContact CB-CB 4.49Å; I484-E496 PolarHBondContact N-O 2.98Å; I484-E496 PolarHBondContact O-N 3.26Å; V486-E496 HydrophobicContact CG2-CB 3.92Å; E496-R724 IonicContact OE2-CZ 2.87Å; E496-R724 IonicContact OE2-NH1 3.2Å; E496-R724 PolarHBondContact OE2-NH1 2.84Å; E496-L727 HydrophobicContact CG-CD2 4.35Å
497	T	91.8	Very high	90.3	Very high	39 Å²	39	43.8 Å²	43.8	24%	0.239	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145.1	-177.8	70.4	0	0	0	0	112	A389 S482 Q483 T495	A389-T497 WeakPolarHBondContact O-CB 3.37Å; A389-T497 WeakPolarHBondContact O-CG2 3.39Å; A389-T497 PolarHBondContact O-OG1 3.43Å; A389-T497 VanDerWaalsContact O-OG1 3.1Å; S482-T497 WeakPolarHBondContact O-CA 3.3Å; Q483-T497 HydrophobicContact CG-CG2 4.37Å; T495-T497 HydrophobicContact CG2-CG2 3.59Å
498	C	91.3	Very high	90.3	Very high	15 Å²	15	42.6 Å²	42.6	10%	0.101	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	152.1	174.6	-164.6	0	0	0	0	109.4	T481 S482 W707 F708 H711	T481-C498 CarbonylContact C-O 3.57Å; S482-C498 PolarHBondContact N-O 3.43Å; S482-C498 PolarHBondContact O-N 2.93Å; C498-W707 VanDerWaalsContact SG-CD1 3.57Å; C498-F708 HydrophobicContact CB-CD2 4.31Å; C498-H711 HydrophobicContact CB-CB 4.29Å
499	S	92.7	Very high	90.2	Very high	30 Å²	30	41.2 Å²	41.2	21%	0.21	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	152.1	175.3	58.1	0	0	0	0	111.2	L480	L480-S499 CarbonylContact O-C 3.53Å; L480-S499 VanDerWaalsContact O-CA 3.26Å; L480-S499 WeakPolarHBondContact O-CA 3.2Å
500	I	93.4	Very high	90.5	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	137.2	170.8	-171.8	159.6	0	0	0	110.2	F479 L480 L502 L702 L705 F708	F479-I500 CarbonylContact C-O 3.55Å; F479-I500 WeakPolarHBondContact CA-O 3.5Å; F479-I500 VanDerWaalsContact CB-O 3.3Å; F479-I500 WeakPolarHBondContact CB-O 3.44Å; L480-I500 HydrophobicContact CB-CG2 4.16Å; L480-I500 PolarHBondContact N-O 3.41Å; L480-I500 PolarHBondContact O-N 3.12Å; I500-L502 HydrophobicContact CG2-CD2 4.06Å; I500-L702 HydrophobicContact CD1-CB 4.41Å; I500-L702 HydrophobicContact CD1-CD1 4.36Å; I500-L705 HydrophobicContact CD1-CB 3.88Å; I500-L705 HydrophobicContact CD1-CD1 3.54Å; I500-L705 HydrophobicContact CD1-CG 4.32Å; I500-F708 HydrophobicContact CB-CB 4.23Å; I500-F708 HydrophobicContact CB-CD1 4.12Å; I500-F708 HydrophobicContact CB-CD2 3.81Å; I500-F708 HydrophobicContact CB-CE2 4.23Å; I500-F708 HydrophobicContact CB-CG 3.76Å; I500-F708 HydrophobicContact CD1-CB 4.23Å; I500-F708 HydrophobicContact CD1-CG 4.41Å; I500-F708 HydrophobicContact CG2-CD1 3.5Å; I500-F708 HydrophobicContact CG2-CD2 3.76Å; I500-F708 HydrophobicContact CG2-CE1 3.51Å; I500-F708 HydrophobicContact CG2-CE2 3.77Å; I500-F708 HydrophobicContact CG2-CG 3.64Å; I500-F708 HydrophobicContact CG2-CZ 3.65Å
501	V	93.7	Very high	90.8	Very high	24 Å²	24	29.5 Å²	29.5	15%	0.145	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	108.8	172.6	-177.8	0	0	0	0	108.2	I385 E477 F479 A504 L702	I385-V501 HydrophobicContact CD1-CG2 4.31Å; I385-V501 HydrophobicContact CG2-CG2 4.49Å; E477-V501 HydrophobicContact CB-CG1 3.77Å; E477-V501 HydrophobicContact CG-CG1 3.94Å; F479-V501 HydrophobicContact CB-CG2 4.18Å; V501-A504 HydrophobicContact CB-CB 4.02Å; V501-A504 HydrophobicContact CG1-CB 3.9Å; V501-A504 WeakPolarHBondContact O-CB 3.47Å; V501-A504 PolarHBondContact O-N 2.82Å; V501-L702 WeakPolarHBondContact O-CD2 3.49Å
502	L	93.3	Very high	91	Very high	2 Å²	2	28 Å²	28	1%	0.01	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-70.4	-35.2	-173.6	-62	172.5	0	0	0	111.6	L224 L227 L228 L338 V450 S478 I500 A504	L224-L502 HydrophobicContact CD1-CD2 4.5Å; L227-L502 HydrophobicContact CD2-CD1 3.89Å; L228-L502 HydrophobicContact CD2-CD2 4.04Å; L338-L502 HydrophobicContact CD2-CB 4.16Å; L338-L502 HydrophobicContact CD2-CD1 3.93Å; V450-L502 HydrophobicContact CG1-CD1 4.13Å; V450-L502 HydrophobicContact CG2-CD1 3.93Å; S478-L502 PolarHBondContact O-N 3.2Å; I500-L502 HydrophobicContact CG2-CD2 4.06Å; L502-A504 VanDerWaalsContact C-N 3.32Å; L502-A504 PolarHBondContact O-N 2.81Å
503	T	93.8	Very high	90.6	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-90.5	9.3	-177.5	47.5	0	0	0	0	113.8	F235 C340 R342 E477 S478 A505 V506	F235-T503 HydrophobicContact CD1-CG2 4.49Å; F235-T503 HydrophobicContact CE1-CG2 3.77Å; F235-T503 HydrophobicContact CZ-CG2 4.32Å; C340-T503 HydrophobicContact CB-CG2 3.98Å; R342-T503 PolarHBondContact NH2-O 3.22Å; E477-T503 VanDerWaalsContact OE2-CB 3.3Å; E477-T503 WeakPolarHBondContact OE2-CB 3.49Å; E477-T503 PolarHBondContact OE2-OG1 2.88Å; S478-T503 PolarHBondContact N-OG1 3.15Å; T503-A505 PolarHBondContact O-N 2.93Å; T503-V506 WeakPolarHBondContact O-CB 3.26Å; T503-V506 PolarHBondContact O-N 3.24Å; T503-V506 VanDerWaalsContact O-N 3.09Å
504	A	90.4	Very high	89.8	Confident	16 Å²	16	22 Å²	22	13%	0.132	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-64.8	-23.2	-178.1	0	0	0	0	0	113.6	V501 L502 V506 W556 L702	V501-A504 HydrophobicContact CB-CB 4.02Å; V501-A504 HydrophobicContact CG1-CB 3.9Å; V501-A504 WeakPolarHBondContact O-CB 3.47Å; V501-A504 PolarHBondContact O-N 2.82Å; L502-A504 VanDerWaalsContact C-N 3.32Å; L502-A504 PolarHBondContact O-N 2.81Å; A504-V506 VanDerWaalsContact C-N 3.25Å; A504-V506 PolarHBondContact O-N 3.48Å; A504-W556 WeakPolarHBondContact O-CZ3 3.36Å; A504-L702 HydrophobicContact CB-CD2 3.92Å
505	A	87.4	Confident	88.8	Confident	11 Å²	11	21.5 Å²	21.5	9%	0.091	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-71.1	-18.6	176	0	0	0	0	0	113.7	E236 T503 P507 W556 K701	E236-A505 WeakPolarHBondContact OE1-CB 3.31Å; T503-A505 PolarHBondContact O-N 2.93Å; A505-P507 WeakPolarHBondContact O-CD 3.15Å; A505-W556 HydrophobicContact CB-CH2 4.14Å; A505-W556 HydrophobicContact CB-CZ2 4.43Å; A505-K701 HydrophobicContact CB-CB 4.12Å; A505-K701 HydrophobicContact CB-CD 4.09Å
506	V	90.9	Very high	87.5	Confident	3 Å²	3	22.3 Å²	22.3	2%	0.018	13%	0.125	C	C	.	.	S	Bend	trans	-76	120.3	172.1	179.4	0	0	0	0	108	F235 W239 R342 T503 A504 R508	F235-V506 HydrophobicContact CE1-CG2 4.32Å; W239-V506 HydrophobicContact CB-CG1 4.33Å; W239-V506 HydrophobicContact CD2-CG1 3.47Å; W239-V506 VanDerWaalsContact CD2-CG1 3.47Å; W239-V506 HydrophobicContact CD2-CG2 4.38Å; W239-V506 HydrophobicContact CE3-CG1 3.8Å; W239-V506 HydrophobicContact CG-CB 4.49Å; W239-V506 HydrophobicContact CG-CG1 3.71Å; W239-V506 HydrophobicContact CG-CG2 3.91Å; W239-V506 HydrophobicContact CZ2-CG1 4.35Å; W239-V506 HydrophobicContact CZ3-CG1 4.38Å; R342-V506 HydrophobicContact CG-CG1 4.44Å; R342-V506 PolarHBondContact NH2-O 3.37Å; T503-V506 WeakPolarHBondContact O-CB 3.26Å; T503-V506 PolarHBondContact O-N 3.24Å; T503-V506 VanDerWaalsContact O-N 3.09Å; A504-V506 VanDerWaalsContact C-N 3.25Å; A504-V506 PolarHBondContact O-N 3.48Å; V506-R508 PolarHBondContact O-N 3.09Å
507	P	89.6	Confident	86.3	Confident	35 Å²	35	24.6 Å²	24.6	23%	0.227	14%	0.139	C	C	.	.			trans	-48.2	123.7	-177.6	-29	34.7	0	0	0	111.8	F243 R342 Y344 A505 F509	F243-P507 HydrophobicContact CE2-CG 3.97Å; F243-P507 HydrophobicContact CZ-CB 4.26Å; F243-P507 HydrophobicContact CZ-CG 4.05Å; R342-P507 WeakPolarHBondContact CD-O 3.5Å; R342-P507 PolarHBondContact NE-O 2.95Å; Y344-P507 WeakPolarHBondContact CE1-O 3.43Å; Y344-P507 PolarHBondContact OH-O 3.34Å; Y344-P507 VanDerWaalsContact OH-O 3.07Å; A505-P507 WeakPolarHBondContact O-CD 3.15Å; P507-F509 VanDerWaalsContact C-N 3.33Å
508	R	91.6	Very high	85.1	Confident	25 Å²	25	23.6 Å²	23.6	9%	0.094	13%	0.132	C	C	.	.	S	Bend	trans	-73.8	-31.7	179.6	-65.1	-174.9	177.9	146.4	-12.7	112	Y374 I378 F475 E477 V506	Y374-R508 WeakPolarHBondContact CE1-O 3.25Å; Y374-R508 PolarHBondContact OH-O 3.31Å; I378-R508 HydrophobicContact CD1-CB 4.11Å; F475-R508 HydrophobicContact CE2-CB 4.33Å; F475-R508 HydrophobicContact CE2-CG 3.98Å; F475-R508 HydrophobicContact CZ-CG 4.19Å; E477-R508 IonicContact OE1-CZ 2.66Å; E477-R508 IonicContact OE1-NE 2.62Å; E477-R508 PolarHBondContact OE1-NE 3.15Å; E477-R508 IonicContact OE1-NH2 3.81Å; E477-R508 PolarHBondContact OE1-NH2 2.7Å; E477-R508 VanDerWaalsContact OE1-NH2 3.09Å; V506-R508 PolarHBondContact O-N 3.09Å
509	F	88.9	Confident	84.1	Confident	21 Å²	21	24.1 Å²	24.1	9%	0.092	13%	0.134	C	C	.	.			trans	-119.7	141.6	176.2	-68.9	-90.7	0	0	0	110.3	F345 Y374 A375 I378 P507 H618	F345-F509 HydrophobicContact CE2-CD1 4.46Å; Y374-F509 AromaticContact CD1-CD1 3.89Å; Y374-F509 HydrophobicContact CD1-CD1 3.89Å; Y374-F509 AromaticContact CD1-CE1 3.57Å; Y374-F509 HydrophobicContact CD1-CE1 3.57Å; Y374-F509 HydrophobicContact CD1-CZ 4.26Å; Y374-F509 AromaticContact CE1-CD1 3.95Å; Y374-F509 HydrophobicContact CE1-CD1 3.95Å; Y374-F509 AromaticContact CE1-CE1 3.97Å; Y374-F509 HydrophobicContact CE1-CE1 3.97Å; Y374-F509 HydrophobicContact CE1-CG 4.46Å; A375-F509 HydrophobicContact CB-CE1 4.22Å; A375-F509 HydrophobicContact CB-CZ 3.77Å; I378-F509 HydrophobicContact CD1-CD2 3.95Å; I378-F509 HydrophobicContact CD1-CE1 4.02Å; I378-F509 HydrophobicContact CD1-CE2 3.3Å; I378-F509 HydrophobicContact CD1-CZ 3.35Å; P507-F509 VanDerWaalsContact C-N 3.33Å; F509-H618 HydrophobicContact CB-CB 4.01Å; F509-H618 HydrophobicContact CD1-CB 3.8Å; F509-H618 HydrophobicContact CD2-CB 3.3Å; F509-H618 HydrophobicContact CE1-CB 3.97Å; F509-H618 HydrophobicContact CE2-CB 3.49Å; F509-H618 VanDerWaalsContact CE2-CB 3.49Å; F509-H618 HydrophobicContact CG-CB 3.44Å; F509-H618 VanDerWaalsContact CG-CB 3.44Å; F509-H618 AromaticContact CG-CG 3.96Å; F509-H618 HydrophobicContact CZ-CB 3.8Å
510	C	89.1	Confident	82.8	Confident	11 Å²	11	26.9 Å²	26.9	7%	0.074	14%	0.143	C	C	.	.			trans	-157.1	146.3	168.5	-166.9	0	0	0	0	107.7	F243 Y344 F345 W512 R575	F243-C510 HydrophobicContact CE1-CB 4.32Å; Y344-C510 WeakPolarHBondContact CB-O 3.27Å; Y344-C510 HydrophobicContact CD1-CB 3.49Å; Y344-C510 VanDerWaalsContact CD1-CB 3.49Å; Y344-C510 HydrophobicContact CE1-CB 3.76Å; Y344-C510 HydrophobicContact CG-CB 4.05Å; F345-C510 PolarHBondContact N-O 3.19Å; F345-C510 VanDerWaalsContact N-O 3.09Å; C510-W512 HydrophobicContact CB-CH2 3.98Å; C510-W512 HydrophobicContact CB-CZ2 4.46Å; C510-W512 HydrophobicContact CB-CZ3 4.29Å; C510-W512 WeakPolarHBondContact SG-CH2 3.39Å; C510-W512 WeakPolarHBondContact SG-CZ2 3.33Å; C510-R575 VanDerWaalsContact SG-CD 3.53Å; C510-R575 PolarHBondContact SG-NH1 3.21Å
511	S	88.8	Confident	81.7	Confident	3 Å²	3	29.7 Å²	29.7	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	143.5	173	60.6	0	0	0	0	110.9	F345 R575 H576	F345-S511 WeakPolarHBondContact O-CA 3.39Å; S511-R575 CarbonylContact O-C 3.51Å; S511-R575 VanDerWaalsContact O-CB 3.23Å; S511-R575 WeakPolarHBondContact O-CB 3.3Å; S511-R575 VanDerWaalsContact O-O 3.1Å; S511-H576 WeakPolarHBondContact OG-CB 3.3Å
512	W	87.2	Confident	80.5	Confident	8 Å²	8	29.1 Å²	29.1	3%	0.03	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	137.3	178.2	-62.5	-96.3	0	0	0	110.1	F243 F246 D247 L253 M327 Y344 F345 F346 G347 C510 V514 R575	F243-W512 HydrophobicContact CD1-CH2 4Å; F243-W512 AromaticContact CD1-CZ2 3.8Å; F243-W512 HydrophobicContact CD1-CZ2 3.8Å; F243-W512 HydrophobicContact CE1-CH2 4.24Å; F243-W512 HydrophobicContact CE1-CZ2 4.42Å; F246-W512 HydrophobicContact CB-CD2 3.94Å; F246-W512 VanDerWaalsContact CB-CE2 3.4Å; F246-W512 HydrophobicContact CB-CG 4.2Å; F246-W512 HydrophobicContact CB-CZ2 3.75Å; F246-W512 VanDerWaalsContact CB-NE1 3.35Å; F246-W512 HydrophobicContact CD2-CH2 4.41Å; F246-W512 HydrophobicContact CD2-CZ2 4.18Å; F246-W512 HydrophobicContact CG-CD2 4.45Å; F246-W512 HydrophobicContact CG-CH2 4.4Å; F246-W512 HydrophobicContact CG-CZ2 4.04Å; D247-W512 PolarHBondContact OD1-NE1 3.49Å; L253-W512 HydrophobicContact CD2-CB 4.07Å; M327-W512 HydrophobicContact CE-CE3 3.89Å; M327-W512 HydrophobicContact CE-CH2 3.53Å; M327-W512 HydrophobicContact CE-CZ3 3.09Å; Y344-W512 HydrophobicContact CD2-CH2 4.17Å; Y344-W512 HydrophobicContact CD2-CZ3 4.39Å; Y344-W512 HydrophobicContact CG-CH2 4.26Å; Y344-W512 HydrophobicContact CG-CZ3 4.18Å; F345-W512 PolarHBondContact O-N 3.08Å; F345-W512 VanDerWaalsContact O-N 3.07Å; F346-W512 HydrophobicContact CD1-CE3 4.5Å; F346-W512 HydrophobicContact CE1-CE3 4.41Å; G347-W512 WeakPolarHBondContact CA-O 3.33Å; G347-W512 PolarHBondContact N-O 3.37Å; C510-W512 HydrophobicContact CB-CH2 3.98Å; C510-W512 HydrophobicContact CB-CZ2 4.46Å; C510-W512 HydrophobicContact CB-CZ3 4.29Å; C510-W512 WeakPolarHBondContact SG-CH2 3.39Å; C510-W512 WeakPolarHBondContact SG-CZ2 3.33Å; W512-V514 VanDerWaalsContact O-CG2 3.24Å; W512-V514 WeakPolarHBondContact O-CG2 3.11Å; W512-V514 PolarHBondContact O-N 3.32Å; W512-R575 WeakPolarHBondContact CA-O 3.44Å
513	L	81.3	Confident	79.4	Confident	25 Å²	25	33.5 Å²	33.5	13%	0.131	18%	0.175	C	C	.	.			trans	-71.7	123.1	171.6	-60.1	175.7	0	0	0	109.6	A348 E518 V519 R575	A348-L513 HydrophobicContact CB-CD2 3.94Å; L513-E518 HydrophobicContact CD2-CB 4.3Å; L513-V519 HydrophobicContact CB-CG2 3.53Å; L513-V519 HydrophobicContact CD1-CG2 4.1Å; L513-V519 HydrophobicContact CG-CG2 4.46Å; L513-R575 PolarHBondContact N-O 3.25Å; L513-R575 VanDerWaalsContact N-O 3.16Å
514	V	75.8	Confident	78.2	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.006	20%	0.202	C	C	.	.			trans	-116.4	-28.4	-170.4	-170.7	0	0	0	0	113.2	I250 L253 L254 V314 F346 W512	I250-V514 WeakPolarHBondContact CG2-O 3.44Å; L253-V514 HydrophobicContact CD2-CB 4.28Å; L253-V514 HydrophobicContact CD2-CG1 4.22Å; L253-V514 HydrophobicContact CD2-CG2 3.68Å; L254-V514 HydrophobicContact CD2-CG1 3.4Å; L254-V514 HydrophobicContact CG-CG1 3.94Å; V314-V514 HydrophobicContact CG1-CG1 4.21Å; F346-V514 HydrophobicContact CB-CG2 3.65Å; F346-V514 HydrophobicContact CD1-CG2 3.97Å; F346-V514 HydrophobicContact CG-CG2 4.24Å; W512-V514 VanDerWaalsContact O-CG2 3.24Å; W512-V514 WeakPolarHBondContact O-CG2 3.11Å; W512-V514 PolarHBondContact O-N 3.32Å
515	E	71.1	Confident	77.2	Confident	41 Å²	41	39 Å²	39	19%	0.192	20%	0.196	C	C	.	.	S	Bend	trans	-93.2	136.9	175.3	-73.2	-165.5	164.9	0	0	111.6	F323 K363 N517 E518 V519	F323-E515 HydrophobicContact CE1-CG 3.91Å; F323-E515 WeakPolarHBondContact CE1-OE1 3.2Å; F323-E515 HydrophobicContact CZ-CG 4.05Å; K363-E515 IonicContact NZ-OE1 3.83Å; K363-E515 PolarHBondContact NZ-OE1 2.97Å; K363-E515 IonicContact NZ-OE2 2.9Å; E515-N517 PolarHBondContact O-N 2.74Å; E515-E518 HydrophobicContact CB-CG 4.22Å; E515-E518 PolarHBondContact O-N 3.19Å; E515-V519 PolarHBondContact O-N 3.38Å; E515-V519 VanDerWaalsContact O-N 3.15Å
516	D	63.7	Low	76.4	Confident	87 Å²	87	41.3 Å²	41.3	47%	0.465	20%	0.204	S	C	.	.	H	α-helix	trans	-46.7	-37.2	170.6	-108	30.7	0	0	0	113.3	K520	D516-K520 WeakPolarHBondContact O-CB 3.43Å; D516-K520 VanDerWaalsContact O-CD 3.29Å; D516-K520 WeakPolarHBondContact O-CD 3.39Å; D516-K520 WeakPolarHBondContact O-CG 3.48Å; D516-K520 PolarHBondContact O-N 3.16Å; D516-K520 IonicContact OD2-NZ 3.26Å; D516-K520 PolarHBondContact OD2-NZ 3.1Å
517	N	65.6	Low	75.4	Confident	113 Å²	113	47.5 Å²	47.5	60%	0.604	23%	0.233	S	C	*	.	H	α-helix	trans	-71	-33.8	-179.3	-72.6	-25.6	0	0	0	112.8	E515 L521	E515-N517 PolarHBondContact O-N 2.74Å; N517-L521 WeakPolarHBondContact O-CB 3.44Å; N517-L521 PolarHBondContact O-N 3Å
518	E	68.2	Low	74.2	Confident	19 Å²	19	48.5 Å²	48.5	9%	0.089	24%	0.244	C	C	.	.	H	α-helix	trans	-75.3	-39.6	178.2	-63.3	-177.9	161.5	0	0	110.8	G347 A348 L513 E515 L521 S522	G347-E518 WeakPolarHBondContact CA-OE2 3.13Å; A348-E518 PolarHBondContact N-OE2 3.27Å; L513-E518 HydrophobicContact CD2-CB 4.3Å; E515-E518 HydrophobicContact CB-CG 4.22Å; E515-E518 PolarHBondContact O-N 3.19Å; E518-L521 WeakPolarHBondContact O-CB 3.47Å; E518-L521 PolarHBondContact O-N 3.46Å; E518-S522 PolarHBondContact O-N 2.78Å
519	V	69.1	Low	72.8	Confident	26 Å²	26	47.3 Å²	47.3	16%	0.158	24%	0.24	C	C	.	.	H	α-helix	trans	-66.5	-47.7	173.3	177	0	0	0	0	110.4	I250 L513 E515 L521 S522 E523	I250-V519 HydrophobicContact CD1-CB 3.91Å; I250-V519 HydrophobicContact CD1-CG1 3.92Å; I250-V519 HydrophobicContact CD1-CG2 3.51Å; I250-V519 HydrophobicContact CG1-CG2 4.31Å; L513-V519 HydrophobicContact CB-CG2 3.53Å; L513-V519 HydrophobicContact CD1-CG2 4.1Å; L513-V519 HydrophobicContact CG-CG2 4.46Å; E515-V519 PolarHBondContact O-N 3.38Å; E515-V519 VanDerWaalsContact O-N 3.15Å; V519-L521 PolarHBondContact O-N 2.99Å; V519-S522 PolarHBondContact O-N 2.83Å; V519-S522 VanDerWaalsContact O-N 3.09Å; V519-E523 HydrophobicContact CG1-CG 4.28Å; V519-E523 WeakPolarHBondContact O-CB 3.33Å; V519-E523 WeakPolarHBondContact O-CG 3.45Å; V519-E523 PolarHBondContact O-N 3.27Å
520	K	66.3	Low	71.7	Confident	88 Å²	88	53.3 Å²	53.3	38%	0.383	26%	0.262	S	S	.	.	H	α-helix	trans	-58.7	-33.6	171.7	-74.2	165.2	-173	155.7	0	111.8	D516 K524	D516-K520 WeakPolarHBondContact O-CB 3.43Å; D516-K520 VanDerWaalsContact O-CD 3.29Å; D516-K520 WeakPolarHBondContact O-CD 3.39Å; D516-K520 WeakPolarHBondContact O-CG 3.48Å; D516-K520 PolarHBondContact O-N 3.16Å; D516-K520 IonicContact OD2-NZ 3.26Å; D516-K520 PolarHBondContact OD2-NZ 3.1Å; K520-K524 WeakPolarHBondContact O-CA 3.34Å; K520-K524 WeakPolarHBondContact O-CB 3.42Å; K520-K524 WeakPolarHBondContact O-CD 3.47Å; K520-K524 WeakPolarHBondContact O-CG 3.44Å; K520-K524 PolarHBondContact O-N 3.38Å
521	L	68.9	Low	70.3	Confident	64 Å²	64	54.7 Å²	54.7	34%	0.335	28%	0.278	S	S	.	.	H	α-helix	trans	-68.1	-45.7	174.9	-176.1	65.8	0	0	0	110.8	L354 N517 E518 V519 K524 T525	L354-L521 HydrophobicContact CD1-CD1 3.96Å; N517-L521 WeakPolarHBondContact O-CB 3.44Å; N517-L521 PolarHBondContact O-N 3Å; E518-L521 WeakPolarHBondContact O-CB 3.47Å; E518-L521 PolarHBondContact O-N 3.46Å; V519-L521 PolarHBondContact O-N 2.99Å; L521-K524 PolarHBondContact O-N 3.01Å; L521-T525 VanDerWaalsContact O-CB 3.23Å; L521-T525 WeakPolarHBondContact O-CB 3.13Å; L521-T525 PolarHBondContact O-N 3.24Å; L521-T525 PolarHBondContact O-OG1 3.33Å
522	S	69.4	Low	68.7	Low	11 Å²	11	63.1 Å²	63.1	8%	0.077	32%	0.322	C	S	.	.	H	α-helix	trans	-63.3	-43.4	175.6	-170.5	0	0	0	0	112	E518 V519 T525 Q526 S578	E518-S522 PolarHBondContact O-N 2.78Å; V519-S522 PolarHBondContact O-N 2.83Å; V519-S522 VanDerWaalsContact O-N 3.09Å; S522-T525 VanDerWaalsContact O-CB 3.31Å; S522-T525 WeakPolarHBondContact O-CB 3.23Å; S522-T525 PolarHBondContact O-N 3.43Å; S522-Q526 WeakPolarHBondContact O-CG 3.49Å; S522-Q526 PolarHBondContact O-N 3.19Å; S522-S578 PolarHBondContact OG-N 2.87Å; S522-S578 PolarHBondContact OG-OG 2.86Å; S522-S578 VanDerWaalsContact OG-OG 3.08Å
523	E	71.2	Confident	67.3	Low	95 Å²	95	72 Å²	72	44%	0.444	36%	0.364	S	S	.	.	H	α-helix	trans	-65.7	-45.6	175.4	-71.8	178.7	165.1	0	0	111.9	V519 T525 Q526 Q527	V519-E523 HydrophobicContact CG1-CG 4.28Å; V519-E523 WeakPolarHBondContact O-CB 3.33Å; V519-E523 WeakPolarHBondContact O-CG 3.45Å; V519-E523 PolarHBondContact O-N 3.27Å; E523-T525 PolarHBondContact O-N 3.42Å; E523-Q526 PolarHBondContact O-N 3.48Å; E523-Q526 VanDerWaalsContact O-N 3.15Å; E523-Q527 WeakPolarHBondContact O-CB 3.49Å; E523-Q527 VanDerWaalsContact O-CG 3.29Å; E523-Q527 WeakPolarHBondContact O-CG 3.38Å; E523-Q527 PolarHBondContact O-N 3.12Å
524	K	67.9	Low	66.7	Low	131 Å²	131	71.6 Å²	71.6	57%	0.57	36%	0.364	S	S	*	.	H	α-helix	trans	-60.6	-35.6	173.1	-78.5	173.2	-178.3	-175.8	0	111.4	K520 L521 Q527 A528	K520-K524 WeakPolarHBondContact O-CA 3.34Å; K520-K524 WeakPolarHBondContact O-CB 3.42Å; K520-K524 WeakPolarHBondContact O-CD 3.47Å; K520-K524 WeakPolarHBondContact O-CG 3.44Å; K520-K524 PolarHBondContact O-N 3.38Å; L521-K524 PolarHBondContact O-N 3.01Å; K524-Q527 PolarHBondContact O-N 2.86Å; K524-A528 WeakPolarHBondContact O-CB 3.41Å; K524-A528 PolarHBondContact O-N 2.86Å
525	T	69.2	Low	66.7	Low	1 Å²	1	75 Å²	75	1%	0.006	38%	0.379	C	S	.	.	H	α-helix	trans	-64	-45.5	175.1	-61	0	0	0	0	110.2	P352 L354 L521 S522 E523 V529 I580	P352-T525 HydrophobicContact CB-CG2 3.96Å; L354-T525 HydrophobicContact CD2-CG2 3.88Å; L521-T525 VanDerWaalsContact O-CB 3.23Å; L521-T525 WeakPolarHBondContact O-CB 3.13Å; L521-T525 PolarHBondContact O-N 3.24Å; L521-T525 PolarHBondContact O-OG1 3.33Å; S522-T525 VanDerWaalsContact O-CB 3.31Å; S522-T525 WeakPolarHBondContact O-CB 3.23Å; S522-T525 PolarHBondContact O-N 3.43Å; E523-T525 PolarHBondContact O-N 3.42Å; T525-V529 VanDerWaalsContact O-CB 3.29Å; T525-V529 WeakPolarHBondContact O-CB 3.47Å; T525-V529 WeakPolarHBondContact O-CG2 3.43Å; T525-V529 PolarHBondContact O-N 2.89Å; T525-V529 VanDerWaalsContact O-N 3.08Å; T525-I580 HydrophobicContact CG2-CD1 3.23Å; T525-I580 HydrophobicContact CG2-CG1 4.22Å
526	Q	71.4	Confident	67	Low	59 Å²	59	73 Å²	73	28%	0.276	37%	0.369	S	S	.	.	H	α-helix	trans	-65.4	-37.7	175.2	-68.3	177.8	3.3	0	0	112.8	S522 E523 R530 L570 S572 S578	S522-Q526 WeakPolarHBondContact O-CG 3.49Å; S522-Q526 PolarHBondContact O-N 3.19Å; E523-Q526 PolarHBondContact O-N 3.48Å; E523-Q526 VanDerWaalsContact O-N 3.15Å; Q526-R530 WeakPolarHBondContact O-CB 3.48Å; Q526-R530 VanDerWaalsContact O-CG 3.26Å; Q526-R530 WeakPolarHBondContact O-CG 3.44Å; Q526-R530 PolarHBondContact O-N 3.36Å; Q526-L570 HydrophobicContact CG-CD2 4.34Å; Q526-S572 PolarHBondContact NE2-OG 3.27Å; Q526-S572 VanDerWaalsContact NE2-OG 3.13Å; Q526-S578 WeakPolarHBondContact CG-OG 3.47Å; Q526-S578 PolarHBondContact NE2-OG 2.71Å
527	Q	68.3	Low	67.9	Low	134 Å²	134	70 Å²	70	63%	0.626	36%	0.359	S	S	*	.	H	α-helix	trans	-72.5	-43.2	177.7	-71.4	171.8	7.2	0	0	112.2	E523 K524 V529 R530 G531	E523-Q527 WeakPolarHBondContact O-CB 3.49Å; E523-Q527 VanDerWaalsContact O-CG 3.29Å; E523-Q527 WeakPolarHBondContact O-CG 3.38Å; E523-Q527 PolarHBondContact O-N 3.12Å; K524-Q527 PolarHBondContact O-N 2.86Å; Q527-V529 VanDerWaalsContact C-N 3.3Å; Q527-V529 PolarHBondContact O-N 3.39Å; Q527-R530 PolarHBondContact O-N 2.91Å; Q527-G531 PolarHBondContact O-N 3.46Å
528	A	64.6	Low	68.7	Low	55 Å²	55	69.2 Å²	69.2	46%	0.455	36%	0.358	S	S	.	.	H	α-helix	trans	-63.8	-36.9	177.9	0	0	0	0	0	111.7	K524 R530	K524-A528 WeakPolarHBondContact O-CB 3.41Å; K524-A528 PolarHBondContact O-N 2.86Å; A528-R530 VanDerWaalsContact C-N 3.31Å
529	V	63.6	Low	69.6	Low	1 Å²	1	73.4 Å²	73.4	1%	0.006	38%	0.376	C	S	.	.	H	α-helix	trans	-73.9	-22.3	177.4	167.5	0	0	0	0	112.5	T525 Q527 S534 F535 L536 F565 L570 I580	T525-V529 VanDerWaalsContact O-CB 3.29Å; T525-V529 WeakPolarHBondContact O-CB 3.47Å; T525-V529 WeakPolarHBondContact O-CG2 3.43Å; T525-V529 PolarHBondContact O-N 2.89Å; T525-V529 VanDerWaalsContact O-N 3.08Å; Q527-V529 VanDerWaalsContact C-N 3.3Å; Q527-V529 PolarHBondContact O-N 3.39Å; V529-S534 WeakPolarHBondContact O-CB 3.39Å; V529-S534 PolarHBondContact O-OG 3.4Å; V529-F535 HydrophobicContact CG2-CE1 4.06Å; V529-F535 HydrophobicContact CG2-CZ 4.13Å; V529-L536 HydrophobicContact CG1-CD1 3.82Å; V529-L536 HydrophobicContact CG2-CD1 4.04Å; V529-F565 HydrophobicContact CG1-CD1 4.36Å; V529-F565 HydrophobicContact CG1-CD2 4.34Å; V529-F565 HydrophobicContact CG1-CE1 3.54Å; V529-F565 HydrophobicContact CG1-CE2 3.53Å; V529-F565 HydrophobicContact CG1-CZ 3.1Å; V529-F565 WeakPolarHBondContact O-CE1 3.17Å; V529-L570 HydrophobicContact CG1-CD2 4.09Å; V529-I580 HydrophobicContact CG2-CD1 3.72Å
530	R	64.1	Low	70.3	Confident	147 Å²	147	73.5 Å²	73.5	56%	0.555	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	2.9	176.9	-71.5	178.4	179.3	-166.8	1.3	114.3	Q526 Q527 A528 H563	Q526-R530 WeakPolarHBondContact O-CB 3.48Å; Q526-R530 VanDerWaalsContact O-CG 3.26Å; Q526-R530 WeakPolarHBondContact O-CG 3.44Å; Q526-R530 PolarHBondContact O-N 3.36Å; Q527-R530 PolarHBondContact O-N 2.91Å; A528-R530 VanDerWaalsContact C-N 3.31Å; R530-H563 PolarHBondContact NH2-NE2 2.82Å
531	G	61.5	Low	71.4	Confident	39 Å²	39	70 Å²	70	40%	0.402	36%	0.361	S	S	.	.	S	Bend	trans	-77	165.2	174.5	0	0	0	0	0	113.3	Q527 E533	Q527-G531 PolarHBondContact O-N 3.46Å; G531-E533 PolarHBondContact O-N 2.65Å
532	D	53.5	Low	72.2	Confident	180 Å²	180	68.4 Å²	68.4	96%	0.963	36%	0.361	S	S	*	.	S	Bend	trans	-62.9	-23.5	-176.4	-73.7	-26.1	0	0	0	114.1
533	E	59	Low	72.8	Confident	194 Å²	194	68.7 Å²	68.7	91%	0.907	37%	0.365	S	S	*	.	S	Bend	trans	-122.7	74.7	173.8	-69.1	-167.3	168.1	0	0	111.4	G531	G531-E533 PolarHBondContact O-N 2.65Å
534	S	68.6	Low	73.5	Confident	17 Å²	17	71 Å²	71	12%	0.119	38%	0.376	C	S	.	.			trans	-83.2	139.2	174	176	0	0	0	0	111.8	V529 L536 G537	V529-S534 WeakPolarHBondContact O-CB 3.39Å; V529-S534 PolarHBondContact O-OG 3.4Å; S534-L536 PolarHBondContact O-N 3.43Å; S534-L536 PolarHBondContact OG-N 2.95Å; S534-G537 WeakPolarHBondContact O-CA 3.48Å; S534-G537 PolarHBondContact O-N 2.81Å
535	F	75.5	Confident	74.1	Confident	73 Å²	73	65.6 Å²	65.6	32%	0.32	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-13.4	173.2	65.8	-91.5	0	0	0	113.1	Y353 V529 G537 I580	Y353-F535 HydrophobicContact CD1-CD2 4.46Å; Y353-F535 AromaticContact CD1-CE2 3.8Å; Y353-F535 HydrophobicContact CD1-CE2 3.8Å; Y353-F535 HydrophobicContact CE1-CD2 4.21Å; Y353-F535 HydrophobicContact CE1-CE2 4.01Å; Y353-F535 VanDerWaalsContact O-CZ 3.31Å; Y353-F535 WeakPolarHBondContact O-CZ 3.35Å; V529-F535 HydrophobicContact CG2-CE1 4.06Å; V529-F535 HydrophobicContact CG2-CZ 4.13Å; F535-G537 VanDerWaalsContact C-N 3.29Å; F535-I580 HydrophobicContact CE2-CG2 3.95Å; F535-I580 HydrophobicContact CZ-CD1 3.97Å; F535-I580 HydrophobicContact CZ-CG2 4.18Å
536	L	77.8	Confident	75	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	2.9	170	-61.7	175.1	0	0	0	112.6	V529 S534 F565 S567 I580	V529-L536 HydrophobicContact CG1-CD1 3.82Å; V529-L536 HydrophobicContact CG2-CD1 4.04Å; S534-L536 PolarHBondContact O-N 3.43Å; S534-L536 PolarHBondContact OG-N 2.95Å; L536-F565 HydrophobicContact CB-CB 3.87Å; L536-F565 HydrophobicContact CB-CD1 4.29Å; L536-F565 HydrophobicContact CB-CD2 4.23Å; L536-F565 HydrophobicContact CB-CG 3.87Å; L536-F565 HydrophobicContact CD1-CD2 4.11Å; L536-F565 HydrophobicContact CD1-CE2 4.4Å; L536-F565 WeakPolarHBondContact O-CB 3.49Å; L536-S567 CarbonylContact O-C 3.28Å; L536-S567 VanDerWaalsContact O-CA 3.29Å; L536-S567 WeakPolarHBondContact O-CA 3.43Å; L536-S567 VanDerWaalsContact O-CB 3.28Å; L536-S567 WeakPolarHBondContact O-CB 3.43Å; L536-S567 PolarHBondContact O-N 2.9Å; L536-I580 HydrophobicContact CD1-CG2 3.73Å; L536-I580 HydrophobicContact CD2-CG2 3.78Å; L536-I580 HydrophobicContact CG-CG2 4.2Å
537	G	81.6	Confident	75.9	Confident	23 Å²	23	64 Å²	64	24%	0.237	35%	0.349	C	S	.	.			trans	80.8	-166.5	-176.8	0	0	0	0	0	113.4	S534 F535 S566	S534-G537 WeakPolarHBondContact O-CA 3.48Å; S534-G537 PolarHBondContact O-N 2.81Å; F535-G537 VanDerWaalsContact C-N 3.29Å; G537-S566 WeakPolarHBondContact CA-OG 3.2Å
538	T	83.5	Confident	77	Confident	97 Å²	97	57.7 Å²	57.7	60%	0.595	32%	0.32	S	S	*	.	S	Bend	trans	-60.5	134.1	178.8	56.6	0	0	0	0	112.5	F565 S566	T538-F565 CarbonylContact O-C 3.59Å; T538-F565 WeakPolarHBondContact O-CA 3.3Å; T538-S566 PolarHBondContact N-OG 3Å; T538-S566 PolarHBondContact O-N 3.21Å; T538-S566 PolarHBondContact O-OG 3.48Å; T538-S566 PolarHBondContact OG1-OG 3.45Å
539	F	85.8	Confident	78.2	Confident	107 Å²	107	55.5 Å²	55.5	47%	0.469	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	131.4	171.6	177.4	-109	0	0	0	110.7	T541 H563 F565	F539-T541 WeakPolarHBondContact CE2-O 3.49Å; F539-T541 VanDerWaalsContact CZ-C 3.49Å; F539-H563 HydrophobicContact CE2-CB 4.17Å; F539-F565 HydrophobicContact CB-CD1 4.03Å; F539-F565 HydrophobicContact CB-CE1 3.78Å; F539-F565 HydrophobicContact CD2-CD1 4.23Å; F539-F565 AromaticContact CD2-CE1 3.58Å; F539-F565 HydrophobicContact CD2-CE1 3.58Å; F539-F565 HydrophobicContact CD2-CE2 4.41Å; F539-F565 AromaticContact CD2-CZ 3.64Å; F539-F565 HydrophobicContact CD2-CZ 3.64Å; F539-F565 HydrophobicContact CE2-CZ 4.35Å; F539-F565 HydrophobicContact CG-CE1 4.16Å
540	L	85.6	Confident	79.4	Confident	28 Å²	28	55.5 Å²	55.5	15%	0.147	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-66.2	178.2	-57.3	-179.7	0	0	0	110	F564 V644 L647	L540-F564 WeakPolarHBondContact CB-O 2.95Å; L540-F564 PolarHBondContact N-O 3.32Å; L540-V644 HydrophobicContact CB-CG2 4.18Å; L540-V644 HydrophobicContact CD1-CB 4.5Å; L540-V644 HydrophobicContact CD1-CG1 4.26Å; L540-V644 HydrophobicContact CD1-CG2 4.27Å; L540-L647 HydrophobicContact CD1-CD1 4.16Å; L540-L647 HydrophobicContact CD2-CD1 3.54Å; L540-L647 HydrophobicContact CG-CD1 4.47Å
541	T	88.1	Confident	80.3	Confident	13 Å²	13	49 Å²	49	8%	0.08	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	168.2	-175.6	-152.1	0	0	0	0	112	F539 H563 F564 A639 E643 V644	F539-T541 WeakPolarHBondContact CE2-O 3.49Å; F539-T541 VanDerWaalsContact CZ-C 3.49Å; T541-H563 WeakPolarHBondContact O-CA 3.26Å; T541-F564 HydrophobicContact CG2-CB 4.46Å; T541-F564 HydrophobicContact CG2-CD2 3.89Å; T541-F564 PolarHBondContact N-O 3.07Å; T541-F564 PolarHBondContact O-N 3.06Å; T541-A639 HydrophobicContact CG2-CB 3.92Å; T541-E643 WeakPolarHBondContact CB-OE2 3.12Å; T541-E643 HydrophobicContact CG2-CB 4.5Å; T541-E643 PolarHBondContact OG1-OE2 3.33Å; T541-V644 HydrophobicContact CG2-CG2 3.56Å
542	G	85.2	Confident	81.2	Confident	31 Å²	31	47.8 Å²	47.8	32%	0.32	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	159.3	173.3	0	0	0	0	0	113.7	V562	G542-V562 CarbonylContact C-O 3.59Å; G542-V562 WeakPolarHBondContact CA-O 3.34Å
543	G	83.3	Confident	82	Confident	17 Å²	17	44.6 Å²	44.6	18%	0.175	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	168.3	-176.6	0	0	0	0	0	114.1	N561 V562	G543-N561 WeakPolarHBondContact O-CA 3.32Å; G543-V562 PolarHBondContact N-O 2.83Å; G543-V562 PolarHBondContact O-N 3.29Å
544	E	85.1	Confident	82.7	Confident	143 Å²	143	36.9 Å²	36.9	67%	0.668	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	163.8	-178.2	-43.7	-166.9	140.5	0	0	111.7	N561	E544-N561 VanDerWaalsContact CA-OD1 3.28Å; E544-N561 WeakPolarHBondContact CA-OD1 3.28Å; E544-N561 VanDerWaalsContact CB-OD1 3.24Å; E544-N561 WeakPolarHBondContact CB-OD1 3.17Å; E544-N561 WeakPolarHBondContact CG-OD1 3.14Å; E544-N561 PolarHBondContact OE1-ND2 3.07Å
545	G	80.2	Confident	83.1	Confident	18 Å²	18	37 Å²	37	19%	0.186	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81.9	29	173.1	0	0	0	0	0	114.5
546	A	89.3	Confident	83.2	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	141.9	169	0	0	0	0	0	110.1	G560 V562 I628 L630	A546-G560 PolarHBondContact N-O 2.86Å; A546-G560 PolarHBondContact O-N 2.91Å; A546-V562 HydrophobicContact CB-CB 4.12Å; A546-V562 HydrophobicContact CB-CG2 3.47Å; A546-V562 VanDerWaalsContact CB-CG2 3.47Å; A546-I628 HydrophobicContact CB-CG2 4.14Å; A546-L630 HydrophobicContact CB-CD2 4.05Å
547	Y	90.8	Very high	83.5	Confident	26 Å²	26	39 Å²	39	10%	0.102	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.3	-179.2	-68.3	-92.5	0	0	0	110.9	E558 E559 I628 A629 F631 L680	Y547-E558 CarbonylContact C-O 3.52Å; Y547-E558 WeakPolarHBondContact CA-O 3.42Å; Y547-E559 HydrophobicContact CD1-CB 4.01Å; Y547-E559 HydrophobicContact CD1-CG 4.46Å; Y547-E559 HydrophobicContact CE1-CB 3.62Å; Y547-E559 HydrophobicContact CE1-CG 3.89Å; Y547-E559 HydrophobicContact CE2-CG 4.45Å; Y547-E559 VanDerWaalsContact OH-CD 3.26Å; Y547-E559 PolarHBondContact OH-OE2 3.35Å; Y547-I628 CarbonylContact O-C 3.6Å; Y547-I628 WeakPolarHBondContact O-CA 3.08Å; Y547-A629 PolarHBondContact N-O 3.03Å; Y547-A629 VanDerWaalsContact N-O 3.13Å; Y547-A629 PolarHBondContact O-N 2.94Å; Y547-F631 HydrophobicContact CD2-CD2 4.38Å; Y547-F631 AromaticContact CD2-CE1 3.97Å; Y547-F631 HydrophobicContact CD2-CE1 3.97Å; Y547-F631 AromaticContact CD2-CE2 3.81Å; Y547-F631 HydrophobicContact CD2-CE2 3.81Å; Y547-F631 AromaticContact CD2-CZ 3.59Å; Y547-F631 HydrophobicContact CD2-CZ 3.59Å; Y547-F631 AromaticContact CE2-CD2 3.86Å; Y547-F631 HydrophobicContact CE2-CD2 3.86Å; Y547-F631 HydrophobicContact CE2-CE1 4.25Å; Y547-F631 AromaticContact CE2-CE2 3.22Å; Y547-F631 HydrophobicContact CE2-CE2 3.22Å; Y547-F631 AromaticContact CE2-CZ 3.46Å; Y547-F631 HydrophobicContact CE2-CZ 3.46Å; Y547-F631 VanDerWaalsContact CE2-CZ 3.46Å; Y547-F631 HydrophobicContact CG-CZ 4.4Å; Y547-F631 AromaticContact CZ-CE2 3.94Å; Y547-L680 HydrophobicContact CD1-CD2 4.17Å; Y547-L680 HydrophobicContact CE1-CD2 4.1Å
548	L	90.9	Very high	83.7	Confident	3 Å²	3	39 Å²	39	2%	0.016	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	124.8	176.1	-178.3	63.1	0	0	0	110.3	P557 E558 F571 I579 F619 L626 I628	L548-P557 WeakPolarHBondContact O-CA 3.44Å; L548-E558 PolarHBondContact N-O 3.18Å; L548-E558 PolarHBondContact O-N 3.4Å; L548-E558 VanDerWaalsContact O-N 3.11Å; L548-F571 HydrophobicContact CB-CD2 4.14Å; L548-F571 HydrophobicContact CB-CE1 4.16Å; L548-F571 HydrophobicContact CB-CE2 3.66Å; L548-F571 HydrophobicContact CB-CZ 3.66Å; L548-F571 HydrophobicContact CD2-CD1 3.93Å; L548-F571 HydrophobicContact CD2-CD2 4.43Å; L548-F571 HydrophobicContact CD2-CE1 4Å; L548-F571 HydrophobicContact CD2-CG 4.16Å; L548-F571 HydrophobicContact CD2-CZ 4.34Å; L548-I579 HydrophobicContact CD2-CD1 4.13Å; L548-F619 HydrophobicContact CD2-CD2 4.32Å; L548-F619 HydrophobicContact CD2-CE1 4.5Å; L548-F619 HydrophobicContact CD2-CE2 3.63Å; L548-F619 HydrophobicContact CD2-CZ 3.71Å; L548-F619 HydrophobicContact CG-CZ 4.21Å; L548-L626 HydrophobicContact CD1-CB 4.22Å; L548-L626 HydrophobicContact CD1-CD2 4.49Å; L548-I628 HydrophobicContact CD1-CG1 3.87Å
549	Y	90.1	Very high	84	Confident	8 Å²	8	39.6 Å²	39.6	3%	0.031	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	142.4	173	-70.1	-103.5	0	0	0	109.3	P557 L626 M627 A629 L673 A677	Y549-P557 HydrophobicContact CD1-CB 3.97Å; Y549-P557 HydrophobicContact CD2-CB 4.19Å; Y549-P557 HydrophobicContact CE1-CB 3.54Å; Y549-P557 HydrophobicContact CE1-CG 3.82Å; Y549-P557 HydrophobicContact CE2-CB 3.77Å; Y549-P557 HydrophobicContact CG-CB 4.27Å; Y549-P557 VanDerWaalsContact CZ-CB 3.4Å; Y549-L626 WeakPolarHBondContact O-CA 3.38Å; Y549-M627 HydrophobicContact CD1-CE 4.06Å; Y549-M627 HydrophobicContact CD2-CE 3.5Å; Y549-M627 VanDerWaalsContact CD2-CE 3.5Å; Y549-M627 HydrophobicContact CE2-CE 4.03Å; Y549-M627 HydrophobicContact CG-CE 3.53Å; Y549-M627 PolarHBondContact N-O 2.84Å; Y549-M627 PolarHBondContact O-N 3.44Å; Y549-A629 HydrophobicContact CD2-CB 4.21Å; Y549-A629 HydrophobicContact CE2-CB 3.88Å; Y549-L673 HydrophobicContact CD1-CD2 4.31Å; Y549-A677 HydrophobicContact CE2-CB 3.89Å; Y549-A677 VanDerWaalsContact OH-CA 3.3Å; Y549-A677 WeakPolarHBondContact OH-CA 3.37Å
550	S	88.7	Confident	84.1	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.007	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	158.5	170.1	170	0	0	0	0	111.1	N552 F619 L673	S550-N552 PolarHBondContact O-N 3.42Å; S550-N552 PolarHBondContact OG-N 2.84Å; S550-F619 VanDerWaalsContact CB-CD1 3.47Å; S550-F619 WeakPolarHBondContact OG-CA 3.3Å; S550-F619 PolarHBondContact OG-O 2.86Å; S550-L673 WeakPolarHBondContact O-CD1 3.49Å
551	S	82.9	Confident	84.3	Confident	11 Å²	11	36 Å²	36	8%	0.077	20%	0.195	C	C	.	.	S	Bend	trans	-57.3	-18.2	163.8	41.9	0	0	0	0	113.9	L553 G621 S623 F625	S551-L553 PolarHBondContact O-N 3.18Å; S551-G621 WeakPolarHBondContact OG-CA 3.43Å; S551-S623 WeakPolarHBondContact CB-OG 3.38Å; S551-F625 PolarHBondContact N-O 3.09Å; S551-F625 PolarHBondContact OG-O 3.39Å; S551-F625 VanDerWaalsContact OG-O 3.08Å
552	N	80.9	Confident	84.4	Confident	14 Å²	14	35.4 Å²	35.4	8%	0.075	19%	0.191	C	C	.	.			trans	-71.7	110.1	174.9	-167.1	-30.9	0	0	0	111	S550 Q554 S555 H618 H620	S550-N552 PolarHBondContact O-N 3.42Å; S550-N552 PolarHBondContact OG-N 2.84Å; N552-Q554 PolarHBondContact O-N 3.41Å; N552-Q554 VanDerWaalsContact OD1-CB 3.31Å; N552-Q554 WeakPolarHBondContact OD1-CB 3.43Å; N552-Q554 WeakPolarHBondContact OD1-CG 3.44Å; N552-Q554 PolarHBondContact OD1-N 3.49Å; N552-S555 WeakPolarHBondContact O-CB 3.22Å; N552-S555 PolarHBondContact O-N 2.98Å; N552-S555 PolarHBondContact O-OG 3.38Å; N552-H618 WeakPolarHBondContact CB-O 3.16Å; N552-H618 PolarHBondContact ND2-O 3.01Å; N552-H620 WeakPolarHBondContact CB-O 3.34Å; N552-H620 PolarHBondContact ND2-O 3.4Å
553	L	69.7	Low	84.6	Confident	112 Å²	112	34.7 Å²	34.7	59%	0.586	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-16.2	177.7	-66.7	174	0	0	0	114	S551	S551-L553 PolarHBondContact O-N 3.18Å
554	Q	72.7	Confident	84.9	Confident	32 Å²	32	33.9 Å²	33.9	15%	0.15	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-10.4	179.4	-43.3	-57.4	-4.8	0	0	113.5	I378 N552	I378-Q554 HydrophobicContact CG2-CB 3.89Å; I378-Q554 HydrophobicContact CG2-CG 3.95Å; N552-Q554 PolarHBondContact O-N 3.41Å; N552-Q554 VanDerWaalsContact OD1-CB 3.31Å; N552-Q554 WeakPolarHBondContact OD1-CB 3.43Å; N552-Q554 WeakPolarHBondContact OD1-CG 3.44Å; N552-Q554 PolarHBondContact OD1-N 3.49Å
555	S	77	Confident	85.1	Confident	20 Å²	20	27.1 Å²	27.1	14%	0.14	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-82.4	139.8	177.8	69.2	0	0	0	0	111.4	N552 H618	N552-S555 WeakPolarHBondContact O-CB 3.22Å; N552-S555 PolarHBondContact O-N 2.98Å; N552-S555 PolarHBondContact O-OG 3.38Å; S555-H618 WeakPolarHBondContact CB-O 3.36Å
556	W	78.3	Confident	85.3	Confident	90 Å²	90	27.6 Å²	27.6	34%	0.341	14%	0.14	S	C	.	.	P	Polyproline II helix	trans	-89.8	147.6	171.9	-157.3	-106.8	0	0	0	109.5	A504 A505 E558 K701	A504-W556 WeakPolarHBondContact O-CZ3 3.36Å; A505-W556 HydrophobicContact CB-CH2 4.14Å; A505-W556 HydrophobicContact CB-CZ2 4.43Å; W556-E558 PolarHBondContact O-N 2.83Å; W556-K701 HydrophobicContact CH2-CB 3.93Å; W556-K701 WeakPolarHBondContact CH2-O 3.19Å; W556-K701 HydrophobicContact CZ2-CB 3.93Å; W556-K701 HydrophobicContact CZ2-CG 4.04Å
557	P	84.8	Confident	85	Confident	25 Å²	25	29.7 Å²	29.7	16%	0.162	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-61.2	132.7	172.6	23.6	-33.6	0	0	0	111.4	L548 Y549	L548-P557 WeakPolarHBondContact O-CA 3.44Å; Y549-P557 HydrophobicContact CD1-CB 3.97Å; Y549-P557 HydrophobicContact CD2-CB 4.19Å; Y549-P557 HydrophobicContact CE1-CB 3.54Å; Y549-P557 HydrophobicContact CE1-CG 3.82Å; Y549-P557 HydrophobicContact CE2-CB 3.77Å; Y549-P557 HydrophobicContact CG-CB 4.27Å; Y549-P557 VanDerWaalsContact CZ-CB 3.4Å
558	E	85.8	Confident	84.9	Confident	24 Å²	24	28.5 Å²	28.5	11%	0.112	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	129.3	179.5	-64.7	-169	149.2	0	0	110.5	Y547 L548 W556 H576 H618 F619	Y547-E558 CarbonylContact C-O 3.52Å; Y547-E558 WeakPolarHBondContact CA-O 3.42Å; L548-E558 PolarHBondContact N-O 3.18Å; L548-E558 PolarHBondContact O-N 3.4Å; L548-E558 VanDerWaalsContact O-N 3.11Å; W556-E558 PolarHBondContact O-N 2.83Å; E558-H576 VanDerWaalsContact CD-CE1 3.48Å; E558-H576 IonicContact OE1-CE1 3.69Å; E558-H576 PolarHBondContact OE1-CE1 2.76Å; E558-H576 IonicContact OE1-ND1 3.12Å; E558-H576 IonicContact OE2-CE1 3.02Å; E558-H576 PolarHBondContact OE2-CE1 2.7Å; E558-H576 IonicContact OE2-NE2 3.91Å; E558-H618 IonicContact OE1-NE2 3.25Å; E558-F619 HydrophobicContact CG-CZ 4.14Å; E558-F619 WeakPolarHBondContact OE2-CZ 3.33Å
559	E	88.9	Confident	84.9	Confident	108 Å²	108	28.3 Å²	28.3	51%	0.505	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	129.9	174.1	-171	173.7	163.8	0	0	109.6	Y547 H573	Y547-E559 HydrophobicContact CD1-CB 4.01Å; Y547-E559 HydrophobicContact CD1-CG 4.46Å; Y547-E559 HydrophobicContact CE1-CB 3.62Å; Y547-E559 HydrophobicContact CE1-CG 3.89Å; Y547-E559 HydrophobicContact CE2-CG 4.45Å; Y547-E559 VanDerWaalsContact OH-CD 3.26Å; Y547-E559 PolarHBondContact OH-OE2 3.35Å; E559-H573 PolarHBondContact O-CD2 3.09Å; E559-H573 VanDerWaalsContact O-CD2 3.25Å
560	G	88.4	Confident	84.9	Confident	7 Å²	7	28 Å²	28	7%	0.072	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	-177.7	180	0	0	0	0	0	114	A546	A546-G560 PolarHBondContact N-O 2.86Å; A546-G560 PolarHBondContact O-N 2.91Å
561	N	89	Confident	84.9	Confident	53 Å²	53	28 Å²	28	28%	0.283	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	122.2	-178.2	-68	-8.7	0	0	0	109.6	G543 E544 S572	G543-N561 WeakPolarHBondContact O-CA 3.32Å; E544-N561 VanDerWaalsContact CA-OD1 3.28Å; E544-N561 WeakPolarHBondContact CA-OD1 3.28Å; E544-N561 VanDerWaalsContact CB-OD1 3.24Å; E544-N561 WeakPolarHBondContact CB-OD1 3.17Å; E544-N561 WeakPolarHBondContact CG-OD1 3.14Å; E544-N561 PolarHBondContact OE1-ND2 3.07Å; N561-S572 PolarHBondContact N-O 3.07Å; N561-S572 PolarHBondContact O-N 2.85Å
562	V	90.3	Very high	85.1	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	134.2	179.2	175.7	0	0	0	0	110	G542 G543 A546 F564 L570 F571 I628	G542-V562 CarbonylContact C-O 3.59Å; G542-V562 WeakPolarHBondContact CA-O 3.34Å; G543-V562 PolarHBondContact N-O 2.83Å; G543-V562 PolarHBondContact O-N 3.29Å; A546-V562 HydrophobicContact CB-CB 4.12Å; A546-V562 HydrophobicContact CB-CG2 3.47Å; A546-V562 VanDerWaalsContact CB-CG2 3.47Å; V562-F564 HydrophobicContact CB-CE2 4.45Å; V562-F564 HydrophobicContact CG1-CD1 4.27Å; V562-F564 HydrophobicContact CG1-CD2 4.02Å; V562-F564 HydrophobicContact CG1-CE1 3.81Å; V562-F564 HydrophobicContact CG1-CE2 3.53Å; V562-F564 HydrophobicContact CG1-CG 4.38Å; V562-F564 HydrophobicContact CG1-CZ 3.41Å; V562-F564 VanDerWaalsContact CG1-CZ 3.41Å; V562-L570 WeakPolarHBondContact CA-O 3.41Å; V562-F571 HydrophobicContact CG2-CD2 3.47Å; V562-F571 VanDerWaalsContact CG2-CD2 3.47Å; V562-F571 HydrophobicContact CG2-CE2 4.05Å; V562-F571 HydrophobicContact CG2-CG 4.48Å; V562-I628 HydrophobicContact CG2-CD1 4.49Å; V562-I628 HydrophobicContact CG2-CG2 4.27Å
563	H	89.4	Confident	85.2	Confident	17 Å²	17	28.8 Å²	28.8	8%	0.079	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	127.9	173.5	-57.2	83.1	0	0	0	109.1	R530 F539 T541 F565 L569 L570	R530-H563 PolarHBondContact NH2-NE2 2.82Å; F539-H563 HydrophobicContact CE2-CB 4.17Å; T541-H563 WeakPolarHBondContact O-CA 3.26Å; H563-F565 HydrophobicContact CB-CE2 3.77Å; H563-F565 HydrophobicContact CB-CZ 4.2Å; H563-L569 WeakPolarHBondContact O-CA 3.5Å; H563-L570 HydrophobicContact CB-CB 4.28Å; H563-L570 PolarHBondContact N-O 3.15Å; H563-L570 PolarHBondContact O-N 2.97Å
564	F	89.6	Confident	85.5	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	138.5	-178.3	-63.5	-78.1	0	0	0	110.9	L540 T541 V562 L569 L603 I636 F640 V644 W648	L540-F564 WeakPolarHBondContact CB-O 2.95Å; L540-F564 PolarHBondContact N-O 3.32Å; T541-F564 HydrophobicContact CG2-CB 4.46Å; T541-F564 HydrophobicContact CG2-CD2 3.89Å; T541-F564 PolarHBondContact N-O 3.07Å; T541-F564 PolarHBondContact O-N 3.06Å; V562-F564 HydrophobicContact CB-CE2 4.45Å; V562-F564 HydrophobicContact CG1-CD1 4.27Å; V562-F564 HydrophobicContact CG1-CD2 4.02Å; V562-F564 HydrophobicContact CG1-CE1 3.81Å; V562-F564 HydrophobicContact CG1-CE2 3.53Å; V562-F564 HydrophobicContact CG1-CG 4.38Å; V562-F564 HydrophobicContact CG1-CZ 3.41Å; V562-F564 VanDerWaalsContact CG1-CZ 3.41Å; F564-L569 HydrophobicContact CD1-CB 4.19Å; F564-L569 HydrophobicContact CE1-CD2 4.28Å; F564-L603 HydrophobicContact CE1-CD2 3.84Å; F564-L603 HydrophobicContact CZ-CD2 4.47Å; F564-I636 HydrophobicContact CD2-CD1 4.34Å; F564-I636 HydrophobicContact CE2-CD1 3.85Å; F564-I636 HydrophobicContact CE2-CG1 4.39Å; F564-F640 HydrophobicContact CD1-CD2 4.39Å; F564-F640 HydrophobicContact CD1-CE2 4.45Å; F564-F640 HydrophobicContact CD2-CD2 4.31Å; F564-F640 AromaticContact CE1-CD2 3.9Å; F564-F640 HydrophobicContact CE1-CD2 3.9Å; F564-F640 AromaticContact CE1-CE2 3.95Å; F564-F640 HydrophobicContact CE1-CE2 3.95Å; F564-F640 HydrophobicContact CE2-CB 4.5Å; F564-F640 AromaticContact CE2-CD2 3.79Å; F564-F640 HydrophobicContact CE2-CD2 3.79Å; F564-F640 AromaticContact CZ-CD2 3.56Å; F564-F640 HydrophobicContact CZ-CD2 3.56Å; F564-F640 HydrophobicContact CZ-CE2 4.04Å; F564-V644 HydrophobicContact CB-CG1 4.09Å; F564-V644 HydrophobicContact CB-CG2 3.57Å; F564-V644 HydrophobicContact CD1-CG1 4.17Å; F564-V644 HydrophobicContact CD2-CG2 3.93Å; F564-V644 HydrophobicContact CG-CG1 4.14Å; F564-V644 HydrophobicContact CG-CG2 3.82Å; F564-W648 AromaticContact CD1-CH2 3.63Å; F564-W648 HydrophobicContact CD1-CH2 3.63Å; F564-W648 HydrophobicContact CD1-CZ2 4.08Å; F564-W648 HydrophobicContact CD1-CZ3 4.16Å; F564-W648 HydrophobicContact CE1-CH2 4.21Å; F564-W648 HydrophobicContact CE1-CZ3 4.39Å
565	F	88.8	Confident	85.7	Confident	1 Å²	1	29.7 Å²	29.7	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	166.7	177.8	-58.7	-98.3	0	0	0	110.1	V529 L536 T538 F539 H563 S567 G568 L570 W648	V529-F565 HydrophobicContact CG1-CD1 4.36Å; V529-F565 HydrophobicContact CG1-CD2 4.34Å; V529-F565 HydrophobicContact CG1-CE1 3.54Å; V529-F565 HydrophobicContact CG1-CE2 3.53Å; V529-F565 HydrophobicContact CG1-CZ 3.1Å; V529-F565 WeakPolarHBondContact O-CE1 3.17Å; L536-F565 HydrophobicContact CB-CB 3.87Å; L536-F565 HydrophobicContact CB-CD1 4.29Å; L536-F565 HydrophobicContact CB-CD2 4.23Å; L536-F565 HydrophobicContact CB-CG 3.87Å; L536-F565 HydrophobicContact CD1-CD2 4.11Å; L536-F565 HydrophobicContact CD1-CE2 4.4Å; L536-F565 WeakPolarHBondContact O-CB 3.49Å; T538-F565 CarbonylContact O-C 3.59Å; T538-F565 WeakPolarHBondContact O-CA 3.3Å; F539-F565 HydrophobicContact CB-CD1 4.03Å; F539-F565 HydrophobicContact CB-CE1 3.78Å; F539-F565 HydrophobicContact CD2-CD1 4.23Å; F539-F565 AromaticContact CD2-CE1 3.58Å; F539-F565 HydrophobicContact CD2-CE1 3.58Å; F539-F565 HydrophobicContact CD2-CE2 4.41Å; F539-F565 AromaticContact CD2-CZ 3.64Å; F539-F565 HydrophobicContact CD2-CZ 3.64Å; F539-F565 HydrophobicContact CE2-CZ 4.35Å; F539-F565 HydrophobicContact CG-CE1 4.16Å; H563-F565 HydrophobicContact CB-CE2 3.77Å; H563-F565 HydrophobicContact CB-CZ 4.2Å; F565-S567 VanDerWaalsContact C-N 3.27Å; F565-S567 PolarHBondContact O-N 3.33Å; F565-G568 WeakPolarHBondContact CA-O 3.48Å; F565-G568 WeakPolarHBondContact CB-O 3.34Å; F565-G568 PolarHBondContact N-O 3.42Å; F565-L570 HydrophobicContact CE2-CB 4.03Å; F565-W648 VanDerWaalsContact O-CZ2 3.25Å; F565-W648 WeakPolarHBondContact O-CZ2 3.34Å; F565-W648 PolarHBondContact O-NE1 2.96Å
566	S	84.9	Confident	85.6	Confident	27 Å²	27	29 Å²	29	19%	0.189	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-33.3	177.6	41.1	0	0	0	0	113.5	G537 T538 K583	G537-S566 WeakPolarHBondContact CA-OG 3.2Å; T538-S566 PolarHBondContact N-OG 3Å; T538-S566 PolarHBondContact O-N 3.21Å; T538-S566 PolarHBondContact O-OG 3.48Å; T538-S566 PolarHBondContact OG1-OG 3.45Å; S566-K583 VanDerWaalsContact O-CE 3.31Å; S566-K583 WeakPolarHBondContact O-CE 3.49Å; S566-K583 PolarHBondContact O-NZ 3.37Å
567	S	83.8	Confident	85.7	Confident	45 Å²	45	24.9 Å²	24.9	32%	0.315	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	15.1	-176.4	-59.3	0	0	0	0	115	L536 F565 K583	L536-S567 CarbonylContact O-C 3.28Å; L536-S567 VanDerWaalsContact O-CA 3.29Å; L536-S567 WeakPolarHBondContact O-CA 3.43Å; L536-S567 VanDerWaalsContact O-CB 3.28Å; L536-S567 WeakPolarHBondContact O-CB 3.43Å; L536-S567 PolarHBondContact O-N 2.9Å; F565-S567 VanDerWaalsContact C-N 3.27Å; F565-S567 PolarHBondContact O-N 3.33Å; S567-K583 WeakPolarHBondContact O-CB 3.41Å; S567-K583 WeakPolarHBondContact O-CG 3.36Å; S567-K583 PolarHBondContact O-N 2.67Å
568	G	88	Confident	85.7	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.5	-166.2	175.3	0	0	0	0	0	114	F565 I581 W648	F565-G568 WeakPolarHBondContact CA-O 3.48Å; F565-G568 WeakPolarHBondContact CB-O 3.34Å; F565-G568 PolarHBondContact N-O 3.42Å; G568-I581 CarbonylContact C-O 3.6Å; G568-I581 VanDerWaalsContact CA-O 3.24Å; G568-I581 WeakPolarHBondContact CA-O 3.32Å; G568-W648 WeakPolarHBondContact O-CZ2 3.48Å
569	L	90.9	Very high	85.8	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	158.7	176.9	69.7	82.8	0	0	0	112.8	H563 F564 I581 L603 I605 I628 W648	H563-L569 WeakPolarHBondContact O-CA 3.5Å; F564-L569 HydrophobicContact CD1-CB 4.19Å; F564-L569 HydrophobicContact CE1-CD2 4.28Å; L569-I581 HydrophobicContact CD1-CB 4.27Å; L569-I581 HydrophobicContact CD1-CD1 3.98Å; L569-I581 HydrophobicContact CD1-CG1 4.09Å; L569-I581 HydrophobicContact CG-CB 4.26Å; L569-I581 PolarHBondContact N-O 3.15Å; L569-I581 PolarHBondContact O-N 2.99Å; L569-L603 HydrophobicContact CD2-CD2 4.27Å; L569-I605 HydrophobicContact CD2-CD1 3.52Å; L569-I628 HydrophobicContact CD1-CD1 4.13Å; L569-I628 HydrophobicContact CD2-CD1 3.75Å; L569-W648 HydrophobicContact CB-CH2 4.36Å; L569-W648 HydrophobicContact CD2-CH2 4.28Å
570	L	89.7	Confident	85.7	Confident	1 Å²	1	17.5 Å²	17.5	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	120.8	174	164	67.1	0	0	0	108.7	Q526 V529 V562 H563 F565 I579 I580	Q526-L570 HydrophobicContact CG-CD2 4.34Å; V529-L570 HydrophobicContact CG1-CD2 4.09Å; V562-L570 WeakPolarHBondContact CA-O 3.41Å; H563-L570 HydrophobicContact CB-CB 4.28Å; H563-L570 PolarHBondContact N-O 3.15Å; H563-L570 PolarHBondContact O-N 2.97Å; F565-L570 HydrophobicContact CE2-CB 4.03Å; L570-I579 WeakPolarHBondContact CA-O 3.49Å; L570-I580 HydrophobicContact CD1-CD1 4.42Å; L570-I580 HydrophobicContact CD1-CG1 3.72Å
571	F	89.8	Confident	85.7	Confident	2 Å²	2	17.2 Å²	17.2	1%	0.009	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124	168.6	-177.3	-88.5	0	0	0	108.8	L548 V562 H573 I579	L548-F571 HydrophobicContact CB-CD2 4.14Å; L548-F571 HydrophobicContact CB-CE1 4.16Å; L548-F571 HydrophobicContact CB-CE2 3.66Å; L548-F571 HydrophobicContact CB-CZ 3.66Å; L548-F571 HydrophobicContact CD2-CD1 3.93Å; L548-F571 HydrophobicContact CD2-CD2 4.43Å; L548-F571 HydrophobicContact CD2-CE1 4Å; L548-F571 HydrophobicContact CD2-CG 4.16Å; L548-F571 HydrophobicContact CD2-CZ 4.34Å; V562-F571 HydrophobicContact CG2-CD2 3.47Å; V562-F571 VanDerWaalsContact CG2-CD2 3.47Å; V562-F571 HydrophobicContact CG2-CE2 4.05Å; V562-F571 HydrophobicContact CG2-CG 4.48Å; F571-H573 HydrophobicContact CE1-CB 4.07Å; F571-I579 HydrophobicContact CB-CB 4.36Å; F571-I579 HydrophobicContact CD1-CD1 4.19Å; F571-I579 PolarHBondContact N-O 3.23Å; F571-I579 PolarHBondContact O-N 3.18Å
572	S	85.6	Confident	85.6	Confident	12 Å²	12	14.8 Å²	14.8	8%	0.084	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.2	179.1	-65.5	0	0	0	0	110.1	Q526 N561	Q526-S572 PolarHBondContact NE2-OG 3.27Å; Q526-S572 VanDerWaalsContact NE2-OG 3.13Å; N561-S572 PolarHBondContact N-O 3.07Å; N561-S572 PolarHBondContact O-N 2.85Å
573	H	84.9	Confident	85.4	Confident	28 Å²	28	15.1 Å²	15.1	13%	0.13	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	145.5	172.9	-169.1	-99.7	0	0	0	110.8	E559 F571 R575 H576 G577	E559-H573 PolarHBondContact O-CD2 3.09Å; E559-H573 VanDerWaalsContact O-CD2 3.25Å; F571-H573 HydrophobicContact CE1-CB 4.07Å; H573-R575 VanDerWaalsContact C-N 3.31Å; H573-R575 PolarHBondContact ND1-N 2.89Å; H573-R575 PolarHBondContact O-N 3.01Å; H573-H576 AromaticContact CG-CE1 3.4Å; H573-H576 VanDerWaalsContact CG-CE1 3.4Å; H573-H576 AromaticContact CG-ND1 3.95Å; H573-H576 AromaticContact CG-NE2 3.94Å; H573-H576 AromaticContact ND1-CE1 3.31Å; H573-H576 PolarHBondContact ND1-CE1 3.3Å; H573-H576 VanDerWaalsContact ND1-CE1 3.31Å; H573-H576 AromaticContact ND1-ND1 3.4Å; H573-H576 PolarHBondContact ND1-ND1 2.82Å; H573-G577 PolarHBondContact N-O 3.19Å; H573-G577 PolarHBondContact O-N 3.38Å
574	C	75.9	Confident	85.1	Confident	115 Å²	115	19.2 Å²	19.2	78%	0.777	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-28.7	-175.6	57.3	0	0	0	0	113.8
575	R	76.7	Confident	85	Confident	48 Å²	48	20.1 Å²	20.1	18%	0.181	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-49	-172.9	-58.9	-171.3	176	153.6	5.6	115.2	D247 C510 S511 W512 L513 H573	D247-R575 IonicContact OD1-CZ 3.46Å; D247-R575 IonicContact OD1-NE 2.61Å; D247-R575 PolarHBondContact OD1-NE 3.4Å; D247-R575 IonicContact OD1-NH2 3.54Å; D247-R575 IonicContact OD2-CZ 3.69Å; D247-R575 IonicContact OD2-NE 3.79Å; D247-R575 PolarHBondContact OD2-NE 2.94Å; D247-R575 IonicContact OD2-NH2 2.65Å; D247-R575 PolarHBondContact OD2-NH2 2.88Å; C510-R575 VanDerWaalsContact SG-CD 3.53Å; C510-R575 PolarHBondContact SG-NH1 3.21Å; S511-R575 CarbonylContact O-C 3.51Å; S511-R575 VanDerWaalsContact O-CB 3.23Å; S511-R575 WeakPolarHBondContact O-CB 3.3Å; S511-R575 VanDerWaalsContact O-O 3.1Å; W512-R575 WeakPolarHBondContact CA-O 3.44Å; L513-R575 PolarHBondContact N-O 3.25Å; L513-R575 VanDerWaalsContact N-O 3.16Å; H573-R575 VanDerWaalsContact C-N 3.31Å; H573-R575 PolarHBondContact ND1-N 2.89Å; H573-R575 PolarHBondContact O-N 3.01Å
576	H	75.1	Confident	85.1	Confident	5 Å²	5	20.2 Å²	20.2	2%	0.023	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	5.9	-174.6	63.6	-99.7	0	0	0	114	H350 S511 E558 H573	H350-H576 AromaticContact CE1-CD2 3.97Å; H350-H576 PolarHBondContact CE1-O 2.96Å; S511-H576 WeakPolarHBondContact OG-CB 3.3Å; E558-H576 VanDerWaalsContact CD-CE1 3.48Å; E558-H576 IonicContact OE1-CE1 3.69Å; E558-H576 PolarHBondContact OE1-CE1 2.76Å; E558-H576 IonicContact OE1-ND1 3.12Å; E558-H576 IonicContact OE2-CE1 3.02Å; E558-H576 PolarHBondContact OE2-CE1 2.7Å; E558-H576 IonicContact OE2-NE2 3.91Å; H573-H576 AromaticContact CG-CE1 3.4Å; H573-H576 VanDerWaalsContact CG-CE1 3.4Å; H573-H576 AromaticContact CG-ND1 3.95Å; H573-H576 AromaticContact CG-NE2 3.94Å; H573-H576 AromaticContact ND1-CE1 3.31Å; H573-H576 PolarHBondContact ND1-CE1 3.3Å; H573-H576 VanDerWaalsContact ND1-CE1 3.31Å; H573-H576 AromaticContact ND1-ND1 3.4Å; H573-H576 PolarHBondContact ND1-ND1 2.82Å
577	G	79.4	Confident	85.2	Confident	5 Å²	5	23.5 Å²	23.5	5%	0.052	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	88.5	-151	168.4	0	0	0	0	0	115.1	H573	H573-G577 PolarHBondContact N-O 3.19Å; H573-G577 PolarHBondContact O-N 3.38Å
578	S	83.9	Confident	85.5	Confident	1 Å²	1	22.8 Å²	22.8	1%	0.007	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	137.2	-167.1	-59.4	0	0	0	0	112.6	H350 P352 S522 Q526	H350-S578 PolarHBondContact NE2-O 3.34Å; P352-S578 WeakPolarHBondContact CG-O 3.36Å; S522-S578 PolarHBondContact OG-N 2.87Å; S522-S578 PolarHBondContact OG-OG 2.86Å; S522-S578 VanDerWaalsContact OG-OG 3.08Å; Q526-S578 WeakPolarHBondContact CG-OG 3.47Å; Q526-S578 PolarHBondContact NE2-OG 2.71Å
579	I	88.3	Confident	85.7	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	120.2	173.2	-56.7	173.2	0	0	0	107.8	L548 L570 F571 I581 L615 P616 F619	L548-I579 HydrophobicContact CD2-CD1 4.13Å; L570-I579 WeakPolarHBondContact CA-O 3.49Å; F571-I579 HydrophobicContact CB-CB 4.36Å; F571-I579 HydrophobicContact CD1-CD1 4.19Å; F571-I579 PolarHBondContact N-O 3.23Å; F571-I579 PolarHBondContact O-N 3.18Å; I579-I581 HydrophobicContact CG2-CG1 4.31Å; I579-L615 HydrophobicContact CG2-CD1 3.84Å; I579-P616 HydrophobicContact CD1-CG 3.83Å; I579-P616 HydrophobicContact CG1-CG 4.29Å; I579-F619 HydrophobicContact CD1-CD2 4.14Å; I579-F619 HydrophobicContact CD1-CE2 3.72Å
580	I	87.3	Confident	85.7	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.1	-178.7	-69.3	178.1	0	0	0	109.6	Y353 T525 V529 F535 L536 L570	Y353-I580 HydrophobicContact CD1-CG2 4.35Å; Y353-I580 WeakPolarHBondContact O-CD1 3.32Å; T525-I580 HydrophobicContact CG2-CD1 3.23Å; T525-I580 HydrophobicContact CG2-CG1 4.22Å; V529-I580 HydrophobicContact CG2-CD1 3.72Å; F535-I580 HydrophobicContact CE2-CG2 3.95Å; F535-I580 HydrophobicContact CZ-CD1 3.97Å; F535-I580 HydrophobicContact CZ-CG2 4.18Å; L536-I580 HydrophobicContact CD1-CG2 3.73Å; L536-I580 HydrophobicContact CD2-CG2 3.78Å; L536-I580 HydrophobicContact CG-CG2 4.2Å; L570-I580 HydrophobicContact CD1-CD1 4.42Å; L570-I580 HydrophobicContact CD1-CG1 3.72Å
581	I	88.8	Confident	85.8	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	98.4	176.9	-44.1	-178.8	0	0	0	108.4	G568 L569 I579 M586 I605 L611 L626	G568-I581 CarbonylContact C-O 3.6Å; G568-I581 VanDerWaalsContact CA-O 3.24Å; G568-I581 WeakPolarHBondContact CA-O 3.32Å; L569-I581 HydrophobicContact CD1-CB 4.27Å; L569-I581 HydrophobicContact CD1-CD1 3.98Å; L569-I581 HydrophobicContact CD1-CG1 4.09Å; L569-I581 HydrophobicContact CG-CB 4.26Å; L569-I581 PolarHBondContact N-O 3.15Å; L569-I581 PolarHBondContact O-N 2.99Å; I579-I581 HydrophobicContact CG2-CG1 4.31Å; I581-M586 HydrophobicContact CB-CE 4.01Å; I581-M586 HydrophobicContact CG2-CE 3.46Å; I581-M586 VanDerWaalsContact CG2-CE 3.46Å; I581-M586 HydrophobicContact CG2-CG 4.1Å; I581-M586 WeakPolarHBondContact O-CE 3.46Å; I581-I605 HydrophobicContact CD1-CD1 4.38Å; I581-I605 HydrophobicContact CG2-CG2 4.31Å; I581-L611 HydrophobicContact CG1-CD2 4.47Å; I581-L611 HydrophobicContact CG2-CD2 4.03Å; I581-L626 HydrophobicContact CD1-CD1 3.64Å
582	S	87.2	Confident	85.9	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.007	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	146.7	170.4	174.7	0	0	0	0	110.6	D584 H585	S582-D584 PolarHBondContact O-N 3.03Å; S582-D584 VanDerWaalsContact O-N 3.16Å; S582-D584 PolarHBondContact OG-N 2.89Å; S582-D584 VanDerWaalsContact OG-N 3.17Å; S582-D584 PolarHBondContact OG-OD2 2.78Å; S582-D584 VanDerWaalsContact OG-OD2 3.09Å; S582-H585 PolarHBondContact O-N 3.45Å
583	K	85.7	Confident	85.7	Confident	8 Å²	8	26.1 Å²	26.1	4%	0.035	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-54.9	-27.3	169.8	-79.2	-175.9	-177.3	172.4	0	112.3	S566 S567 H585 M586 L656	S566-K583 VanDerWaalsContact O-CE 3.31Å; S566-K583 WeakPolarHBondContact O-CE 3.49Å; S566-K583 PolarHBondContact O-NZ 3.37Å; S567-K583 WeakPolarHBondContact O-CB 3.41Å; S567-K583 WeakPolarHBondContact O-CG 3.36Å; S567-K583 PolarHBondContact O-N 2.67Å; K583-H585 PolarHBondContact O-N 2.83Å; K583-M586 HydrophobicContact CG-SD 4.07Å; K583-M586 PolarHBondContact O-N 3.19Å; K583-L656 HydrophobicContact CB-CD1 4.35Å; K583-L656 WeakPolarHBondContact O-CD1 3.17Å
584	D	83.8	Confident	85.5	Confident	102 Å²	102	26.3 Å²	26.3	55%	0.545	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-61.3	-29.6	176.3	-59.9	-41.6	0	0	0	112.9	S582 K608	S582-D584 PolarHBondContact O-N 3.03Å; S582-D584 VanDerWaalsContact O-N 3.16Å; S582-D584 PolarHBondContact OG-N 2.89Å; S582-D584 VanDerWaalsContact OG-N 3.17Å; S582-D584 PolarHBondContact OG-OD2 2.78Å; S582-D584 VanDerWaalsContact OG-OD2 3.09Å; D584-K608 WeakPolarHBondContact O-CD 3.24Å; D584-K608 PolarHBondContact O-NZ 3.13Å
585	H	86.8	Confident	85.6	Confident	20 Å²	20	24.1 Å²	24.1	9%	0.093	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-94.6	2.5	177.5	-62	-54.1	0	0	0	113.3	Y353 S582 K583 F607 K608 S610 L611	Y353-H585 AromaticContact CD1-NE2 3.97Å; Y353-H585 AromaticContact CD2-NE2 3.54Å; Y353-H585 AromaticContact CE1-NE2 3.76Å; Y353-H585 AromaticContact CE2-NE2 3.31Å; Y353-H585 VanDerWaalsContact CE2-NE2 3.31Å; Y353-H585 WeakPolarHBondContact CE2-NE2 3.01Å; Y353-H585 AromaticContact CG-NE2 3.86Å; Y353-H585 AromaticContact CZ-NE2 3.4Å; S582-H585 PolarHBondContact O-N 3.45Å; K583-H585 PolarHBondContact O-N 2.83Å; H585-F607 CarbonylContact O-C 3.5Å; H585-F607 WeakPolarHBondContact O-CA 3.34Å; H585-K608 PolarHBondContact O-N 3.16Å; H585-S610 PolarHBondContact ND1-OG 3.12Å; H585-L611 HydrophobicContact CB-CB 4.22Å; H585-L611 HydrophobicContact CB-CD1 4.17Å
586	M	90.1	Very high	85.3	Confident	2 Å²	2	24.4 Å²	24.4	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	142.1	176.2	-59.5	177.9	-171.7	0	0	110.7	I581 K583 I589 I605 D606 K608 L656	I581-M586 HydrophobicContact CB-CE 4.01Å; I581-M586 HydrophobicContact CG2-CE 3.46Å; I581-M586 VanDerWaalsContact CG2-CE 3.46Å; I581-M586 HydrophobicContact CG2-CG 4.1Å; I581-M586 WeakPolarHBondContact O-CE 3.46Å; K583-M586 HydrophobicContact CG-SD 4.07Å; K583-M586 PolarHBondContact O-N 3.19Å; M586-I589 HydrophobicContact SD-CD1 4.28Å; M586-I605 HydrophobicContact CE-CG2 4.21Å; M586-I605 HydrophobicContact CG-CG2 3.84Å; M586-I605 HydrophobicContact SD-CG2 4.07Å; M586-D606 CarbonylContact C-O 3.55Å; M586-D606 WeakPolarHBondContact CA-O 3.36Å; M586-K608 WeakPolarHBondContact O-CE 3.3Å; M586-L656 HydrophobicContact CB-CD1 4.29Å; M586-L656 HydrophobicContact CB-CD2 4.49Å
587	N	88.6	Confident	85.3	Confident	96 Å²	96	28.3 Å²	28.3	51%	0.513	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-39	167.9	-76.2	-34	0	0	0	111.2	D606 F607 K608 L656	N587-D606 HydrophobicContact CB-CB 4.12Å; N587-D606 PolarHBondContact N-O 2.89Å; N587-F607 PolarHBondContact ND2-O 3.46Å; N587-F607 VanDerWaalsContact ND2-O 3.17Å; N587-K608 WeakPolarHBondContact OD1-CE 3.39Å; N587-K608 WeakPolarHBondContact OD1-CG 3.47Å; N587-L656 WeakPolarHBondContact O-CD2 3.47Å
588	S	89.4	Confident	85.4	Confident	30 Å²	30	31 Å²	31	21%	0.21	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	151.2	-177.1	117.3	0	0	0	0	109.8	D606	S588-D606 WeakPolarHBondContact CB-OD2 3.43Å; S588-D606 PolarHBondContact N-O 3.36Å; S588-D606 PolarHBondContact O-N 2.88Å; S588-D606 PolarHBondContact OG-OD2 3.5Å
589	I	91.2	Very high	85.6	Confident	5 Å²	5	32.1 Å²	32.1	3%	0.026	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	124.9	172.9	-165.4	171.7	0	0	0	110	M586 L603 L604 I605 W648 L658 K659	M586-I589 HydrophobicContact SD-CD1 4.28Å; I589-L603 HydrophobicContact CD1-CD1 3.9Å; I589-L603 HydrophobicContact CD1-CD2 4.45Å; I589-L603 HydrophobicContact CD1-CG 4.39Å; I589-L603 HydrophobicContact CG1-CD1 3.83Å; I589-L603 HydrophobicContact CG1-CG 4.45Å; I589-L604 WeakPolarHBondContact CA-O 3.48Å; I589-I605 HydrophobicContact CD1-CG1 4.23Å; I589-I605 HydrophobicContact CG1-CG1 4.17Å; I589-W648 HydrophobicContact CD1-CE3 3.69Å; I589-W648 HydrophobicContact CD1-CH2 4.24Å; I589-W648 HydrophobicContact CD1-CZ3 3.33Å; I589-L658 HydrophobicContact CB-CD1 4.36Å; I589-L658 HydrophobicContact CD1-CD1 4.22Å; I589-L658 HydrophobicContact CG1-CD1 3.78Å; I589-L658 HydrophobicContact CG2-CB 4.42Å; I589-L658 HydrophobicContact CG2-CD1 4.01Å; I589-K659 PolarHBondContact O-N 2.91Å
590	S	91.9	Very high	85.6	Confident	16 Å²	16	32.1 Å²	32.1	11%	0.112	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	149.7	-175.6	-56.3	0	0	0	0	111	L604 K659	S590-L604 PolarHBondContact N-O 3.01Å; S590-L604 PolarHBondContact O-N 2.89Å; S590-K659 CarbonylContact C-O 3.59Å; S590-K659 WeakPolarHBondContact CA-O 3.44Å
591	F	91.9	Very high	85.8	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	126.8	-179	-176.5	-109.6	0	0	0	111.2	D593 A601 L603 F640 Y641 F645 L658 K659 V660 I661	F591-D593 HydrophobicContact CD1-CB 4.31Å; F591-D593 HydrophobicContact CE1-CB 3.84Å; F591-A601 HydrophobicContact CE2-CB 4Å; F591-A601 HydrophobicContact CZ-CB 3.79Å; F591-L603 HydrophobicContact CD2-CB 4.37Å; F591-L603 HydrophobicContact CD2-CD1 4.29Å; F591-F640 HydrophobicContact CD1-CE1 4.43Å; F591-F640 AromaticContact CD2-CE1 3.67Å; F591-F640 HydrophobicContact CD2-CE1 3.67Å; F591-F640 HydrophobicContact CD2-CZ 4.01Å; F591-F640 HydrophobicContact CE1-CE1 4.2Å; F591-F640 AromaticContact CE2-CD1 3.98Å; F591-F640 HydrophobicContact CE2-CD1 3.98Å; F591-F640 AromaticContact CE2-CE1 3.42Å; F591-F640 HydrophobicContact CE2-CE1 3.42Å; F591-F640 VanDerWaalsContact CE2-CE1 3.42Å; F591-F640 HydrophobicContact CE2-CZ 4.13Å; F591-F640 HydrophobicContact CG-CE1 4.17Å; F591-F640 HydrophobicContact CZ-CD1 4.06Å; F591-F640 AromaticContact CZ-CE1 3.7Å; F591-F640 HydrophobicContact CZ-CE1 3.7Å; F591-Y641 HydrophobicContact CE1-CE1 4.11Å; F591-Y641 HydrophobicContact CE1-CE2 4.2Å; F591-Y641 AromaticContact CE1-CZ 3.6Å; F591-Y641 VanDerWaalsContact CE1-OH 3.23Å; F591-Y641 WeakPolarHBondContact CE1-OH 3.41Å; F591-Y641 HydrophobicContact CZ-CE1 4.45Å; F591-Y641 AromaticContact CZ-CE2 3.72Å; F591-Y641 HydrophobicContact CZ-CE2 3.72Å; F591-Y641 AromaticContact CZ-CZ 3.56Å; F591-Y641 WeakPolarHBondContact CZ-OH 3.46Å; F591-F645 HydrophobicContact CD1-CD2 4.09Å; F591-F645 AromaticContact CD1-CE2 3.71Å; F591-F645 HydrophobicContact CD1-CE2 3.71Å; F591-F645 HydrophobicContact CE1-CD2 4.28Å; F591-F645 HydrophobicContact CE1-CE2 4.12Å; F591-L658 HydrophobicContact CB-CD1 3.96Å; F591-L658 HydrophobicContact CB-CD2 4.13Å; F591-L658 HydrophobicContact CB-CG 4.12Å; F591-K659 PolarHBondContact N-O 3.45Å; F591-V660 WeakPolarHBondContact O-CA 3.39Å; F591-I661 PolarHBondContact O-N 2.89Å
592	Y	91.6	Very high	86	Confident	22 Å²	22	32.1 Å²	32.1	9%	0.086	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	112.1	171.5	178	-109.8	0	0	0	109.1	T599 A601 A602 I661 E663 L666 H674	Y592-T599 HydrophobicContact CE1-CG2 3.99Å; Y592-A601 CarbonylContact O-C 3.09Å; Y592-A601 VanDerWaalsContact O-CA 3.24Å; Y592-A601 WeakPolarHBondContact O-CA 3.35Å; Y592-A602 PolarHBondContact N-O 3.47Å; Y592-A602 PolarHBondContact O-N 2.84Å; Y592-I661 WeakPolarHBondContact CD2-O 3.29Å; Y592-E663 HydrophobicContact CE2-CB 4.01Å; Y592-L666 HydrophobicContact CD1-CD1 4.36Å; Y592-L666 HydrophobicContact CD2-CD1 4.32Å; Y592-L666 HydrophobicContact CE2-CD1 4.49Å; Y592-L666 HydrophobicContact CG-CD1 4.25Å; Y592-H674 AromaticContact CD1-CD2 3.81Å; Y592-H674 AromaticContact CD1-NE2 3.6Å; Y592-H674 AromaticContact CE1-CD2 3.97Å; Y592-H674 AromaticContact CE1-CE1 3.63Å; Y592-H674 AromaticContact CE1-NE2 3.37Å; Y592-H674 WeakPolarHBondContact CE1-NE2 3.11Å
593	D	81.5	Confident	86.3	Confident	43 Å²	43	32 Å²	32	23%	0.23	19%	0.193	C	C	.	.			trans	-79.8	-33.2	-174	-169.6	-21.1	0	0	0	112.5	F591 S596 Y641	F591-D593 HydrophobicContact CD1-CB 4.31Å; F591-D593 HydrophobicContact CE1-CB 3.84Å; D593-S596 PolarHBondContact OD1-OG 3.13Å; D593-Y641 PolarHBondContact OD1-OH 3.35Å
594	G	80.8	Confident	86.6	Confident	32 Å²	32	31.8 Å²	31.8	33%	0.33	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	-129.8	-171.2	0	0	0	0	0	111.8
595	D	78	Confident	87	Confident	68 Å²	68	27 Å²	27	36%	0.364	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	16.5	-176.7	73.7	-4.6	0	0	0	113.8	T597 S598 T599	D595-T597 PolarHBondContact O-N 2.96Å; D595-T597 PolarHBondContact O-OG1 3.16Å; D595-T597 PolarHBondContact OD1-N 2.95Å; D595-S598 PolarHBondContact OD1-N 3.33Å; D595-S598 PolarHBondContact OD1-OG 3.21Å; D595-S598 PolarHBondContact OD2-OG 3.07Å; D595-T599 WeakPolarHBondContact OD1-CB 3.48Å; D595-T599 PolarHBondContact OD1-N 3.32Å; D595-T599 PolarHBondContact OD1-OG1 3.44Å; D595-T599 PolarHBondContact OD2-OG1 3.22Å
596	S	70.3	Confident	87.3	Confident	55 Å²	55	28.2 Å²	28.2	39%	0.385	17%	0.174	S	C	.	.	S	Bend	trans	56.3	-3.3	-179.9	-45.7	0	0	0	0	117.7	D593 Y637	D593-S596 PolarHBondContact OD1-OG 3.13Å; S596-Y637 VanDerWaalsContact CA-OH 3.25Å; S596-Y637 WeakPolarHBondContact CA-OH 3.34Å; S596-Y637 VanDerWaalsContact CB-OH 3.25Å; S596-Y637 WeakPolarHBondContact CB-OH 3.49Å; S596-Y637 PolarHBondContact OG-OH 2.73Å
597	T	75.1	Confident	87.3	Confident	87 Å²	87	28.2 Å²	28.2	53%	0.534	17%	0.174	S	C	.	.	S	Bend	trans	-130.7	-34.7	-170.7	56.7	0	0	0	0	114.3	D595	D595-T597 PolarHBondContact O-N 2.96Å; D595-T597 PolarHBondContact O-OG1 3.16Å; D595-T597 PolarHBondContact OD1-N 2.95Å
598	S	81	Confident	87.3	Confident	60 Å²	60	27.5 Å²	27.5	42%	0.42	17%	0.166	S	C	.	.	S	Bend	trans	-130	-22.6	-175.1	86.1	0	0	0	0	113.5	D595 Q678 F681	D595-S598 PolarHBondContact OD1-N 3.33Å; D595-S598 PolarHBondContact OD1-OG 3.21Å; D595-S598 PolarHBondContact OD2-OG 3.07Å; S598-Q678 PolarHBondContact O-NE2 3.02Å; S598-F681 WeakPolarHBondContact O-CE1 3.38Å
599	T	87.6	Confident	87.2	Confident	26 Å²	26	30.5 Å²	30.5	16%	0.16	19%	0.187	C	C	.	.	S	Bend	trans	-100.2	131.6	-177.1	-56.1	0	0	0	0	111.2	Y592 D595 A601 P632	Y592-T599 HydrophobicContact CE1-CG2 3.99Å; D595-T599 WeakPolarHBondContact OD1-CB 3.48Å; D595-T599 PolarHBondContact OD1-N 3.32Å; D595-T599 PolarHBondContact OD1-OG1 3.44Å; D595-T599 PolarHBondContact OD2-OG1 3.22Å; T599-A601 PolarHBondContact O-N 3.25Å; T599-P632 WeakPolarHBondContact O-CG 3.35Å
600	V	89.8	Confident	86.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-64.2	128.6	176.8	174.8	0	0	0	0	110.5	A629 F631 H674 A677 F681	V600-A629 HydrophobicContact CG1-CB 3.85Å; V600-F631 HydrophobicContact CG1-CD1 3.98Å; V600-F631 HydrophobicContact CG1-CE1 4.29Å; V600-F631 HydrophobicContact CG2-CD1 3.8Å; V600-F631 HydrophobicContact CG2-CE1 4.05Å; V600-H674 PolarHBondContact O-NE2 3.4Å; V600-A677 HydrophobicContact CG1-CB 4.28Å; V600-F681 HydrophobicContact CG2-CB 3.47Å; V600-F681 VanDerWaalsContact CG2-CB 3.47Å; V600-F681 HydrophobicContact CG2-CD1 4.01Å; V600-F681 HydrophobicContact CG2-CG 3.77Å
601	A	91.3	Very high	86.7	Confident	0 Å²	0	32 Å²	32	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	143.6	172.2	0	0	0	0	0	110.3	F591 Y592 T599 A629 L630 Y637	F591-A601 HydrophobicContact CE2-CB 4Å; F591-A601 HydrophobicContact CZ-CB 3.79Å; Y592-A601 CarbonylContact O-C 3.09Å; Y592-A601 VanDerWaalsContact O-CA 3.24Å; Y592-A601 WeakPolarHBondContact O-CA 3.35Å; T599-A601 PolarHBondContact O-N 3.25Å; A601-A629 WeakPolarHBondContact O-CA 2.93Å; A601-L630 HydrophobicContact CB-CB 4.44Å; A601-L630 PolarHBondContact N-O 3.2Å; A601-L630 VanDerWaalsContact N-O 3.15Å; A601-L630 PolarHBondContact O-N 2.71Å; A601-Y637 HydrophobicContact CB-CD2 4Å; A601-Y637 HydrophobicContact CB-CE2 3.72Å
602	A	93.1	Very high	86.3	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.008	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	123.3	-175.4	0	0	0	0	0	111.8	Y592 M627	Y592-A602 PolarHBondContact N-O 3.47Å; Y592-A602 PolarHBondContact O-N 2.84Å; A602-M627 HydrophobicContact CB-CG 3.97Å; A602-M627 HydrophobicContact CB-SD 3.95Å
603	L	92.8	Very high	85.8	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	115.8	170.3	-178	70.3	0	0	0	109.2	F564 L569 I589 F591 I605 M627 I628 F640 W648 L658	F564-L603 HydrophobicContact CE1-CD2 3.84Å; F564-L603 HydrophobicContact CZ-CD2 4.47Å; L569-L603 HydrophobicContact CD2-CD2 4.27Å; I589-L603 HydrophobicContact CD1-CD1 3.9Å; I589-L603 HydrophobicContact CD1-CD2 4.45Å; I589-L603 HydrophobicContact CD1-CG 4.39Å; I589-L603 HydrophobicContact CG1-CD1 3.83Å; I589-L603 HydrophobicContact CG1-CG 4.45Å; F591-L603 HydrophobicContact CD2-CB 4.37Å; F591-L603 HydrophobicContact CD2-CD1 4.29Å; L603-I605 HydrophobicContact CD2-CD1 4.31Å; L603-I605 HydrophobicContact CG-CG1 4.33Å; L603-M627 CarbonylContact O-C 3.57Å; L603-M627 WeakPolarHBondContact O-CA 3.5Å; L603-I628 HydrophobicContact CB-CB 4.3Å; L603-I628 HydrophobicContact CD2-CD1 4.5Å; L603-I628 PolarHBondContact N-O 3.3Å; L603-I628 PolarHBondContact O-N 3.39Å; L603-F640 HydrophobicContact CD1-CE2 4.47Å; L603-F640 HydrophobicContact CD1-CZ 4.13Å; L603-F640 HydrophobicContact CD2-CE2 4.35Å; L603-W648 HydrophobicContact CD2-CZ3 4.12Å; L603-L658 HydrophobicContact CD1-CD1 3.72Å
604	L	92.6	Very high	86	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	126.7	-178.2	-61.1	168.2	0	0	0	109.9	I589 S590 M627 I661 L666 Q670	I589-L604 WeakPolarHBondContact CA-O 3.48Å; S590-L604 PolarHBondContact N-O 3.01Å; S590-L604 PolarHBondContact O-N 2.89Å; L604-M627 HydrophobicContact CD2-CB 3.79Å; L604-M627 HydrophobicContact CD2-CG 3.71Å; L604-M627 HydrophobicContact CD2-SD 4.18Å; L604-I661 HydrophobicContact CD1-CD1 3.61Å; L604-L666 HydrophobicContact CD1-CD2 3.59Å; L604-Q670 HydrophobicContact CD1-CG 4.42Å; L604-Q670 HydrophobicContact CD2-CG 4.1Å
605	I	92.6	Very high	86.2	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	108.5	-176.1	-55.8	166.1	0	0	0	108.1	L569 I581 M586 I589 L603 F625 L626 I628	L569-I605 HydrophobicContact CD2-CD1 3.52Å; I581-I605 HydrophobicContact CD1-CD1 4.38Å; I581-I605 HydrophobicContact CG2-CG2 4.31Å; M586-I605 HydrophobicContact CE-CG2 4.21Å; M586-I605 HydrophobicContact CG-CG2 3.84Å; M586-I605 HydrophobicContact SD-CG2 4.07Å; I589-I605 HydrophobicContact CD1-CG1 4.23Å; I589-I605 HydrophobicContact CG1-CG1 4.17Å; L603-I605 HydrophobicContact CD2-CD1 4.31Å; L603-I605 HydrophobicContact CG-CG1 4.33Å; I605-F625 CarbonylContact O-C 3.56Å; I605-F625 VanDerWaalsContact O-CA 3.24Å; I605-F625 WeakPolarHBondContact O-CA 3.38Å; I605-L626 PolarHBondContact N-O 3.4Å; I605-L626 PolarHBondContact O-N 3.24Å; I605-I628 HydrophobicContact CD1-CD1 4.15Å
606	D	91.2	Very high	86.7	Confident	47 Å²	47	29.7 Å²	29.7	25%	0.251	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	127.3	169.8	-59.2	-39.7	0	0	0	108.1	M586 N587 S588 F625	M586-D606 CarbonylContact C-O 3.55Å; M586-D606 WeakPolarHBondContact CA-O 3.36Å; N587-D606 HydrophobicContact CB-CB 4.12Å; N587-D606 PolarHBondContact N-O 2.89Å; S588-D606 WeakPolarHBondContact CB-OD2 3.43Å; S588-D606 PolarHBondContact N-O 3.36Å; S588-D606 PolarHBondContact O-N 2.88Å; S588-D606 PolarHBondContact OG-OD2 3.5Å; D606-F625 WeakPolarHBondContact OD1-CB 3.37Å
607	F	90.8	Very high	87.4	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.009	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	157.8	-173.9	64.8	-99.8	0	0	0	113.4	H585 N587 L611 L612 L615 S624 L626	H585-F607 CarbonylContact O-C 3.5Å; H585-F607 WeakPolarHBondContact O-CA 3.34Å; N587-F607 PolarHBondContact ND2-O 3.46Å; N587-F607 VanDerWaalsContact ND2-O 3.17Å; F607-L611 HydrophobicContact CB-CB 4.42Å; F607-L611 HydrophobicContact CB-CD2 3.61Å; F607-L611 HydrophobicContact CD1-CD2 4.3Å; F607-L611 HydrophobicContact CD2-CB 4.01Å; F607-L611 HydrophobicContact CD2-CD2 4.03Å; F607-L611 HydrophobicContact CG-CB 4.48Å; F607-L611 HydrophobicContact CG-CD2 3.74Å; F607-L612 HydrophobicContact CE2-CD2 3.83Å; F607-L612 HydrophobicContact CE2-CG 4.37Å; F607-L612 HydrophobicContact CZ-CD2 4.35Å; F607-L615 HydrophobicContact CE1-CD2 4.34Å; F607-L615 HydrophobicContact CZ-CD2 4.03Å; F607-S624 WeakPolarHBondContact CD1-O 3.33Å; F607-S624 WeakPolarHBondContact CE1-O 3.3Å; F607-S624 WeakPolarHBondContact CG-O 3.46Å; F607-S624 PolarHBondContact N-O 3.23Å; F607-L626 HydrophobicContact CD1-CD1 4.37Å; F607-L626 HydrophobicContact CD1-CG 4.05Å; F607-L626 HydrophobicContact CE1-CD1 4.44Å; F607-L626 HydrophobicContact CE1-CD2 4.39Å; F607-L626 HydrophobicContact CE1-CG 3.89Å
608	K	89.7	Confident	87.8	Confident	81 Å²	81	23.6 Å²	23.6	35%	0.352	14%	0.14	S	C	.	.			trans	-83.2	151.1	175.3	-66.8	174.5	-170.6	164.2	0	110.5	D584 H585 M586 N587 S610 L611	D584-K608 WeakPolarHBondContact O-CD 3.24Å; D584-K608 PolarHBondContact O-NZ 3.13Å; H585-K608 PolarHBondContact O-N 3.16Å; M586-K608 WeakPolarHBondContact O-CE 3.3Å; N587-K608 WeakPolarHBondContact OD1-CE 3.39Å; N587-K608 WeakPolarHBondContact OD1-CG 3.47Å; K608-S610 WeakPolarHBondContact CB-OG 3.42Å; K608-S610 PolarHBondContact O-N 3.45Å; K608-L611 WeakPolarHBondContact O-CB 3.47Å; K608-L611 PolarHBondContact O-N 3Å
609	S	85.6	Confident	88.1	Confident	92 Å²	92	20.7 Å²	20.7	64%	0.643	12%	0.12	S	C	*	.	G	3₁₀ helix	trans	-55.7	-24.1	177	55.6	0	0	0	0	114	L611 L612	S609-L611 PolarHBondContact O-N 3.28Å; S609-L611 VanDerWaalsContact O-N 3.13Å; S609-L612 WeakPolarHBondContact O-CB 3.38Å; S609-L612 WeakPolarHBondContact O-CG 3.43Å; S609-L612 PolarHBondContact O-N 3.4Å; S609-L612 VanDerWaalsContact O-N 3.09Å
610	S	85.4	Confident	88	Confident	52 Å²	52	20.7 Å²	20.7	36%	0.364	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-57.1	-20.6	171.5	56	0	0	0	0	114.5	H585 K608 P613	H585-S610 PolarHBondContact ND1-OG 3.12Å; K608-S610 WeakPolarHBondContact CB-OG 3.42Å; K608-S610 PolarHBondContact O-N 3.45Å; S610-P613 WeakPolarHBondContact O-CD 3.4Å
611	L	87.1	Confident	87.4	Confident	1 Å²	1	21.5 Å²	21.5	1%	0.005	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-80.5	-23.4	177.4	-169.8	64.2	0	0	0	112.8	I581 H585 F607 K608 S609 P613 H614 L615	I581-L611 HydrophobicContact CG1-CD2 4.47Å; I581-L611 HydrophobicContact CG2-CD2 4.03Å; H585-L611 HydrophobicContact CB-CB 4.22Å; H585-L611 HydrophobicContact CB-CD1 4.17Å; F607-L611 HydrophobicContact CB-CB 4.42Å; F607-L611 HydrophobicContact CB-CD2 3.61Å; F607-L611 HydrophobicContact CD1-CD2 4.3Å; F607-L611 HydrophobicContact CD2-CB 4.01Å; F607-L611 HydrophobicContact CD2-CD2 4.03Å; F607-L611 HydrophobicContact CG-CB 4.48Å; F607-L611 HydrophobicContact CG-CD2 3.74Å; K608-L611 WeakPolarHBondContact O-CB 3.47Å; K608-L611 PolarHBondContact O-N 3Å; S609-L611 PolarHBondContact O-N 3.28Å; S609-L611 VanDerWaalsContact O-N 3.13Å; L611-P613 VanDerWaalsContact C-CD 3.43Å; L611-H614 HydrophobicContact CD1-CB 4.46Å; L611-H614 CarbonylContact O-C 3.56Å; L611-H614 WeakPolarHBondContact O-CA 3.47Å; L611-H614 PolarHBondContact O-N 2.84Å; L611-L615 PolarHBondContact O-N 3.28Å; L611-L615 VanDerWaalsContact O-N 3.17Å
612	L	84.8	Confident	86.6	Confident	51 Å²	51	27 Å²	27	27%	0.267	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-55.4	-39.6	-173.4	-67.2	170.6	0	0	0	114.2	F607 S609 H614 L615 H620	F607-L612 HydrophobicContact CE2-CD2 3.83Å; F607-L612 HydrophobicContact CE2-CG 4.37Å; F607-L612 HydrophobicContact CZ-CD2 4.35Å; S609-L612 WeakPolarHBondContact O-CB 3.38Å; S609-L612 WeakPolarHBondContact O-CG 3.43Å; S609-L612 PolarHBondContact O-N 3.4Å; S609-L612 VanDerWaalsContact O-N 3.09Å; L612-H614 PolarHBondContact O-N 3.13Å; L612-L615 PolarHBondContact O-N 3.35Å; L612-H620 HydrophobicContact CD2-CB 4.23Å; L612-H620 PolarHBondContact O-CE1 2.97Å; L612-H620 PolarHBondContact O-NE2 3.47Å
613	P	80.9	Confident	86	Confident	44 Å²	44	29 Å²	29	29%	0.286	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-64.1	-21.9	175.3	-21.6	34.8	0	0	0	114.2	S610 L611	S610-P613 WeakPolarHBondContact O-CD 3.4Å; L611-P613 VanDerWaalsContact C-CD 3.43Å
614	H	84.4	Confident	85.7	Confident	19 Å²	19	31 Å²	31	9%	0.088	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-104.2	3.3	-176.4	-56.7	-66.4	0	0	0	113.5	H350 V351 Y353 L611 L612	H350-H614 PolarHBondContact CD2-O 2.82Å; V351-H614 VanDerWaalsContact O-CA 3.23Å; V351-H614 WeakPolarHBondContact O-CA 3.29Å; V351-H614 WeakPolarHBondContact O-CB 3.17Å; V351-H614 PolarHBondContact O-ND1 3.4Å; Y353-H614 AromaticContact CD2-CD2 3.92Å; Y353-H614 AromaticContact CD2-NE2 3.73Å; L611-H614 HydrophobicContact CD1-CB 4.46Å; L611-H614 CarbonylContact O-C 3.56Å; L611-H614 WeakPolarHBondContact O-CA 3.47Å; L611-H614 PolarHBondContact O-N 2.84Å; L612-H614 PolarHBondContact O-N 3.13Å
615	L	86.9	Confident	85.6	Confident	2 Å²	2	31 Å²	31	1%	0.01	19%	0.193	C	C	.	.	S	Bend	trans	-114	137.6	-180	-169.4	71.7	0	0	0	109.4	I579 F607 L611 L612 V617 F619 H620 L626	I579-L615 HydrophobicContact CG2-CD1 3.84Å; F607-L615 HydrophobicContact CE1-CD2 4.34Å; F607-L615 HydrophobicContact CZ-CD2 4.03Å; L611-L615 PolarHBondContact O-N 3.28Å; L611-L615 VanDerWaalsContact O-N 3.17Å; L612-L615 PolarHBondContact O-N 3.35Å; L615-V617 PolarHBondContact O-N 2.91Å; L615-F619 HydrophobicContact CD1-CB 4.17Å; L615-F619 HydrophobicContact CD1-CD2 4.09Å; L615-F619 HydrophobicContact CD2-CB 3.65Å; L615-F619 HydrophobicContact CG-CB 3.75Å; L615-F619 HydrophobicContact CG-CD2 4.37Å; L615-H620 PolarHBondContact O-NE2 3.25Å; L615-L626 HydrophobicContact CD1-CD1 4.04Å
616	P	87.9	Confident	85.6	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.193	C	C	.	.			trans	-48.9	138.7	171	-26.3	30	0	0	0	112.3	I579 H618 F619 H620	I579-P616 HydrophobicContact CD1-CG 3.83Å; I579-P616 HydrophobicContact CG1-CG 4.29Å; P616-H618 WeakPolarHBondContact CB-CE1 3.37Å; P616-H618 PolarHBondContact O-N 3.34Å; P616-H618 VanDerWaalsContact O-N 3.14Å; P616-F619 HydrophobicContact CB-CD2 3.87Å; P616-F619 HydrophobicContact CB-CE2 4.36Å; P616-F619 HydrophobicContact CG-CD2 3.76Å; P616-F619 HydrophobicContact CG-CE2 4.03Å; P616-F619 PolarHBondContact O-N 3.46Å; P616-H620 PolarHBondContact O-CD2 3.11Å; P616-H620 PolarHBondContact O-NE2 2.89Å
617	V	84.2	Confident	85.7	Confident	2 Å²	2	29 Å²	29	1%	0.012	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-57.1	-34.3	-175	176	0	0	0	0	112.6	R368 S371 Q372 A375 F412 L615 F619 H620	R368-V617 HydrophobicContact CG-CG2 4.42Å; S371-V617 WeakPolarHBondContact OG-CG2 3.36Å; Q372-V617 HydrophobicContact CG-CG1 4.02Å; Q372-V617 HydrophobicContact CG-CG2 3.99Å; A375-V617 HydrophobicContact CB-CG1 3.86Å; F412-V617 HydrophobicContact CE1-CG1 3.91Å; F412-V617 HydrophobicContact CZ-CG1 3.95Å; L615-V617 PolarHBondContact O-N 2.91Å; V617-F619 PolarHBondContact O-N 3.49Å; V617-H620 VanDerWaalsContact O-CB 3.26Å; V617-H620 WeakPolarHBondContact O-CB 3.41Å; V617-H620 PolarHBondContact O-N 3.02Å; V617-H620 VanDerWaalsContact O-N 3.08Å
618	H	83.9	Confident	85.8	Confident	12 Å²	12	28.9 Å²	28.9	6%	0.056	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-71.5	-11.9	179.5	64.7	-95.5	0	0	0	114	F509 N552 S555 E558 P616	F509-H618 HydrophobicContact CB-CB 4.01Å; F509-H618 HydrophobicContact CD1-CB 3.8Å; F509-H618 HydrophobicContact CD2-CB 3.3Å; F509-H618 HydrophobicContact CE1-CB 3.97Å; F509-H618 HydrophobicContact CE2-CB 3.49Å; F509-H618 VanDerWaalsContact CE2-CB 3.49Å; F509-H618 HydrophobicContact CG-CB 3.44Å; F509-H618 VanDerWaalsContact CG-CB 3.44Å; F509-H618 AromaticContact CG-CG 3.96Å; F509-H618 HydrophobicContact CZ-CB 3.8Å; N552-H618 WeakPolarHBondContact CB-O 3.16Å; N552-H618 PolarHBondContact ND2-O 3.01Å; S555-H618 WeakPolarHBondContact CB-O 3.36Å; E558-H618 IonicContact OE1-NE2 3.25Å; P616-H618 WeakPolarHBondContact CB-CE1 3.37Å; P616-H618 PolarHBondContact O-N 3.34Å; P616-H618 VanDerWaalsContact O-N 3.14Å
619	F	87.2	Confident	86	Confident	0 Å²	0	25 Å²	25	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-95.4	0.2	171.7	-65	-38	0	0	0	113.5	L548 S550 E558 I579 L615 P616 V617 G621 L626	L548-F619 HydrophobicContact CD2-CD2 4.32Å; L548-F619 HydrophobicContact CD2-CE1 4.5Å; L548-F619 HydrophobicContact CD2-CE2 3.63Å; L548-F619 HydrophobicContact CD2-CZ 3.71Å; L548-F619 HydrophobicContact CG-CZ 4.21Å; S550-F619 VanDerWaalsContact CB-CD1 3.47Å; S550-F619 WeakPolarHBondContact OG-CA 3.3Å; S550-F619 PolarHBondContact OG-O 2.86Å; E558-F619 HydrophobicContact CG-CZ 4.14Å; E558-F619 WeakPolarHBondContact OE2-CZ 3.33Å; I579-F619 HydrophobicContact CD1-CD2 4.14Å; I579-F619 HydrophobicContact CD1-CE2 3.72Å; L615-F619 HydrophobicContact CD1-CB 4.17Å; L615-F619 HydrophobicContact CD1-CD2 4.09Å; L615-F619 HydrophobicContact CD2-CB 3.65Å; L615-F619 HydrophobicContact CG-CB 3.75Å; L615-F619 HydrophobicContact CG-CD2 4.37Å; P616-F619 HydrophobicContact CB-CD2 3.87Å; P616-F619 HydrophobicContact CB-CE2 4.36Å; P616-F619 HydrophobicContact CG-CD2 3.76Å; P616-F619 HydrophobicContact CG-CE2 4.03Å; P616-F619 PolarHBondContact O-N 3.46Å; V617-F619 PolarHBondContact O-N 3.49Å; F619-G621 PolarHBondContact O-N 3.23Å; F619-L626 HydrophobicContact CB-CD2 4.31Å
620	H	85.8	Confident	86.3	Confident	25 Å²	25	20.6 Å²	20.6	12%	0.116	13%	0.134	C	C	.	.			trans	-71.7	118.1	172.2	-60.6	-170.9	0	0	0	107.3	F412 N552 L612 L615 P616 V617	F412-H620 AromaticContact CE1-ND1 3.93Å; N552-H620 WeakPolarHBondContact CB-O 3.34Å; N552-H620 PolarHBondContact ND2-O 3.4Å; L612-H620 HydrophobicContact CD2-CB 4.23Å; L612-H620 PolarHBondContact O-CE1 2.97Å; L612-H620 PolarHBondContact O-NE2 3.47Å; L615-H620 PolarHBondContact O-NE2 3.25Å; P616-H620 PolarHBondContact O-CD2 3.11Å; P616-H620 PolarHBondContact O-NE2 2.89Å; V617-H620 VanDerWaalsContact O-CB 3.26Å; V617-H620 WeakPolarHBondContact O-CB 3.41Å; V617-H620 PolarHBondContact O-N 3.02Å; V617-H620 VanDerWaalsContact O-N 3.08Å
621	G	77.9	Confident	86.5	Confident	17 Å²	17	19.1 Å²	19.1	18%	0.175	12%	0.121	C	C	.	.			trans	-134.1	157.5	-180	0	0	0	0	0	111.3	S551 F619 S623 S624	S551-G621 WeakPolarHBondContact OG-CA 3.43Å; F619-G621 PolarHBondContact O-N 3.23Å; G621-S623 VanDerWaalsContact C-N 3.3Å; G621-S623 PolarHBondContact O-N 2.69Å; G621-S624 PolarHBondContact O-N 3.01Å
622	S	74.5	Confident	86.5	Confident	117 Å²	117	19.4 Å²	19.4	82%	0.818	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-33.8	-175.6	50.2	0	0	0	0	113.3
623	S	80.1	Confident	86.4	Confident	41 Å²	41	24.3 Å²	24.3	29%	0.287	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	5.7	-178.5	44.4	0	0	0	0	114.3	S551 G621 F625 E669	S551-S623 WeakPolarHBondContact CB-OG 3.38Å; G621-S623 VanDerWaalsContact C-N 3.3Å; G621-S623 PolarHBondContact O-N 2.69Å; S623-F625 PolarHBondContact O-N 3.41Å; S623-F625 WeakPolarHBondContact OG-CD1 3.38Å; S623-F625 WeakPolarHBondContact OG-CE1 3.43Å; S623-E669 VanDerWaalsContact CB-OE2 3.31Å; S623-E669 WeakPolarHBondContact CB-OE2 3.38Å; S623-E669 PolarHBondContact OG-OE2 2.85Å
624	S	86.4	Confident	86.6	Confident	43 Å²	43	23.5 Å²	23.5	30%	0.301	14%	0.137	S	C	.	.			trans	45.8	40.7	171.5	-58.4	0	0	0	0	114.6	F607 G621	F607-S624 WeakPolarHBondContact CD1-O 3.33Å; F607-S624 WeakPolarHBondContact CE1-O 3.3Å; F607-S624 WeakPolarHBondContact CG-O 3.46Å; F607-S624 PolarHBondContact N-O 3.23Å; G621-S624 PolarHBondContact O-N 3.01Å
625	F	91.1	Very high	86.8	Confident	4 Å²	4	31.3 Å²	31.3	2%	0.018	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	155.6	175.7	84.4	-93.8	0	0	0	112.5	S551 I605 D606 S623 M627 E669 Q670 L673	S551-F625 PolarHBondContact N-O 3.09Å; S551-F625 PolarHBondContact OG-O 3.39Å; S551-F625 VanDerWaalsContact OG-O 3.08Å; I605-F625 CarbonylContact O-C 3.56Å; I605-F625 VanDerWaalsContact O-CA 3.24Å; I605-F625 WeakPolarHBondContact O-CA 3.38Å; D606-F625 WeakPolarHBondContact OD1-CB 3.37Å; S623-F625 PolarHBondContact O-N 3.41Å; S623-F625 WeakPolarHBondContact OG-CD1 3.38Å; S623-F625 WeakPolarHBondContact OG-CE1 3.43Å; F625-M627 HydrophobicContact CE2-CB 4.43Å; F625-E669 HydrophobicContact CE1-CB 4.42Å; F625-Q670 HydrophobicContact CE1-CG 4.43Å; F625-Q670 HydrophobicContact CE2-CG 4.02Å; F625-Q670 HydrophobicContact CZ-CG 3.94Å; F625-L673 HydrophobicContact CE2-CD1 3.68Å; F625-L673 HydrophobicContact CZ-CD1 3.56Å
626	L	92.4	Very high	86.8	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	147.8	171.5	-63.6	173.4	0	0	0	109.7	L548 Y549 I581 I605 F607 L615 F619	L548-L626 HydrophobicContact CD1-CB 4.22Å; L548-L626 HydrophobicContact CD1-CD2 4.49Å; Y549-L626 WeakPolarHBondContact O-CA 3.38Å; I581-L626 HydrophobicContact CD1-CD1 3.64Å; I605-L626 PolarHBondContact N-O 3.4Å; I605-L626 PolarHBondContact O-N 3.24Å; F607-L626 HydrophobicContact CD1-CD1 4.37Å; F607-L626 HydrophobicContact CD1-CG 4.05Å; F607-L626 HydrophobicContact CE1-CD1 4.44Å; F607-L626 HydrophobicContact CE1-CD2 4.39Å; F607-L626 HydrophobicContact CE1-CG 3.89Å; L615-L626 HydrophobicContact CD1-CD1 4.04Å; F619-L626 HydrophobicContact CB-CD2 4.31Å
627	M	93	Very high	86.8	Confident	2 Å²	2	32 Å²	32	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122	175.3	179	-174.8	81	0	0	109.6	Y549 A602 L603 L604 F625 L673 H674 A677	Y549-M627 HydrophobicContact CD1-CE 4.06Å; Y549-M627 HydrophobicContact CD2-CE 3.5Å; Y549-M627 VanDerWaalsContact CD2-CE 3.5Å; Y549-M627 HydrophobicContact CE2-CE 4.03Å; Y549-M627 HydrophobicContact CG-CE 3.53Å; Y549-M627 PolarHBondContact N-O 2.84Å; Y549-M627 PolarHBondContact O-N 3.44Å; A602-M627 HydrophobicContact CB-CG 3.97Å; A602-M627 HydrophobicContact CB-SD 3.95Å; L603-M627 CarbonylContact O-C 3.57Å; L603-M627 WeakPolarHBondContact O-CA 3.5Å; L604-M627 HydrophobicContact CD2-CB 3.79Å; L604-M627 HydrophobicContact CD2-CG 3.71Å; L604-M627 HydrophobicContact CD2-SD 4.18Å; F625-M627 HydrophobicContact CE2-CB 4.43Å; M627-L673 HydrophobicContact CE-CB 3.74Å; M627-L673 HydrophobicContact SD-CB 4.14Å; M627-H674 HydrophobicContact SD-CB 4.47Å; M627-A677 HydrophobicContact CE-CB 4.28Å
628	I	93.5	Very high	87	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	113.4	170.7	-60.5	175.2	0	0	0	107.8	A546 Y547 L548 V562 L569 L603 I605 L630	A546-I628 HydrophobicContact CB-CG2 4.14Å; Y547-I628 CarbonylContact O-C 3.6Å; Y547-I628 WeakPolarHBondContact O-CA 3.08Å; L548-I628 HydrophobicContact CD1-CG1 3.87Å; V562-I628 HydrophobicContact CG2-CD1 4.49Å; V562-I628 HydrophobicContact CG2-CG2 4.27Å; L569-I628 HydrophobicContact CD1-CD1 4.13Å; L569-I628 HydrophobicContact CD2-CD1 3.75Å; L603-I628 HydrophobicContact CB-CB 4.3Å; L603-I628 HydrophobicContact CD2-CD1 4.5Å; L603-I628 PolarHBondContact N-O 3.3Å; L603-I628 PolarHBondContact O-N 3.39Å; I605-I628 HydrophobicContact CD1-CD1 4.15Å; I628-L630 HydrophobicContact CG2-CD2 4.01Å
629	A	92.9	Very high	87.1	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	126.6	176.2	0	0	0	0	0	110.5	Y547 Y549 V600 A601 A677	Y547-A629 PolarHBondContact N-O 3.03Å; Y547-A629 VanDerWaalsContact N-O 3.13Å; Y547-A629 PolarHBondContact O-N 2.94Å; Y549-A629 HydrophobicContact CD2-CB 4.21Å; Y549-A629 HydrophobicContact CE2-CB 3.88Å; V600-A629 HydrophobicContact CG1-CB 3.85Å; A601-A629 WeakPolarHBondContact O-CA 2.93Å; A629-A677 HydrophobicContact CB-CB 4.05Å
630	L	91.1	Very high	87.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	113.1	178.2	-57.5	178.7	0	0	0	108.6	A546 A601 I628 I636 Y637 F640	A546-L630 HydrophobicContact CB-CD2 4.05Å; A601-L630 HydrophobicContact CB-CB 4.44Å; A601-L630 PolarHBondContact N-O 3.2Å; A601-L630 VanDerWaalsContact N-O 3.15Å; A601-L630 PolarHBondContact O-N 2.71Å; I628-L630 HydrophobicContact CG2-CD2 4.01Å; L630-I636 HydrophobicContact CD2-CG1 4.06Å; L630-I636 HydrophobicContact CD2-CG2 4.11Å; L630-Y637 HydrophobicContact CB-CD2 4.27Å; L630-F640 HydrophobicContact CD1-CB 3.96Å; L630-F640 HydrophobicContact CD1-CD1 4.13Å; L630-F640 HydrophobicContact CD1-CD2 4.28Å; L630-F640 HydrophobicContact CD1-CG 3.85Å
631	F	90.3	Very high	87.3	Confident	20 Å²	20	39 Å²	39	9%	0.088	21%	0.207	C	C	.	.			trans	-72.2	139.6	-177.6	-71.6	-7.8	0	0	0	112.1	Y547 V600 S634 Y637 L680 F681 L684	Y547-F631 HydrophobicContact CD2-CD2 4.38Å; Y547-F631 AromaticContact CD2-CE1 3.97Å; Y547-F631 HydrophobicContact CD2-CE1 3.97Å; Y547-F631 AromaticContact CD2-CE2 3.81Å; Y547-F631 HydrophobicContact CD2-CE2 3.81Å; Y547-F631 AromaticContact CD2-CZ 3.59Å; Y547-F631 HydrophobicContact CD2-CZ 3.59Å; Y547-F631 AromaticContact CE2-CD2 3.86Å; Y547-F631 HydrophobicContact CE2-CD2 3.86Å; Y547-F631 HydrophobicContact CE2-CE1 4.25Å; Y547-F631 AromaticContact CE2-CE2 3.22Å; Y547-F631 HydrophobicContact CE2-CE2 3.22Å; Y547-F631 AromaticContact CE2-CZ 3.46Å; Y547-F631 HydrophobicContact CE2-CZ 3.46Å; Y547-F631 VanDerWaalsContact CE2-CZ 3.46Å; Y547-F631 HydrophobicContact CG-CZ 4.4Å; Y547-F631 AromaticContact CZ-CE2 3.94Å; V600-F631 HydrophobicContact CG1-CD1 3.98Å; V600-F631 HydrophobicContact CG1-CE1 4.29Å; V600-F631 HydrophobicContact CG2-CD1 3.8Å; V600-F631 HydrophobicContact CG2-CE1 4.05Å; F631-S634 VanDerWaalsContact O-CB 3.27Å; F631-S634 WeakPolarHBondContact O-CB 3.27Å; F631-S634 PolarHBondContact O-N 2.94Å; F631-S634 PolarHBondContact O-OG 2.86Å; F631-Y637 VanDerWaalsContact O-CB 3.26Å; F631-Y637 WeakPolarHBondContact O-CB 3.31Å; F631-L680 HydrophobicContact CZ-CD2 4.23Å; F631-L680 HydrophobicContact CZ-CG 4.22Å; F631-F681 HydrophobicContact CB-CD2 3.8Å; F631-F681 HydrophobicContact CB-CE2 4.06Å; F631-F681 HydrophobicContact CD1-CB 4Å; F631-F681 HydrophobicContact CD1-CD2 4.04Å; F631-F681 HydrophobicContact CD1-CG 4.33Å; F631-F681 AromaticContact CD2-CD2 3.78Å; F631-F681 HydrophobicContact CD2-CD2 3.78Å; F631-F681 HydrophobicContact CE1-CB 3.82Å; F631-F681 HydrophobicContact CE2-CB 4.37Å; F631-F681 HydrophobicContact CE2-CD2 4.35Å; F631-F681 HydrophobicContact CG-CB 4.36Å; F631-F681 AromaticContact CG-CD2 3.6Å; F631-F681 HydrophobicContact CG-CD2 3.6Å; F631-F681 HydrophobicContact CG-CE2 4.36Å; F631-F681 HydrophobicContact CG-CG 4.34Å; F631-F681 HydrophobicContact CZ-CB 4.02Å; F631-L684 HydrophobicContact CE2-CD1 3.66Å; F631-L684 HydrophobicContact CZ-CD1 4.24Å
632	P	86.4	Confident	87.7	Confident	8 Å²	8	41.8 Å²	41.8	5%	0.052	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	142	177.9	-27.6	36.3	0	0	0	111.6	T599 S634 F681	T599-P632 WeakPolarHBondContact O-CG 3.35Å; P632-S634 PolarHBondContact O-N 2.94Å; P632-S634 VanDerWaalsContact O-N 3.08Å; P632-F681 HydrophobicContact CB-CZ 4.11Å; P632-F681 HydrophobicContact CG-CE1 4.1Å; P632-F681 HydrophobicContact CG-CE2 4.41Å; P632-F681 HydrophobicContact CG-CZ 3.92Å
633	K	82.8	Confident	88.2	Confident	154 Å²	154	40.5 Å²	40.5	67%	0.67	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.8	2.7	179.3	-49	171.8	-177.3	171.1	0	115.4
634	S	86.3	Confident	88.5	Confident	26 Å²	26	38.5 Å²	38.5	18%	0.182	19%	0.191	C	C	.	.			trans	-68.8	155.3	170	68.7	0	0	0	0	111	F631 P632 I636 Y637 Q638	F631-S634 VanDerWaalsContact O-CB 3.27Å; F631-S634 WeakPolarHBondContact O-CB 3.27Å; F631-S634 PolarHBondContact O-N 2.94Å; F631-S634 PolarHBondContact O-OG 2.86Å; P632-S634 PolarHBondContact O-N 2.94Å; P632-S634 VanDerWaalsContact O-N 3.08Å; S634-I636 VanDerWaalsContact C-N 3.3Å; S634-I636 PolarHBondContact O-N 3.35Å; S634-I636 WeakPolarHBondContact OG-CG2 3.41Å; S634-Y637 WeakPolarHBondContact O-CB 3.48Å; S634-Y637 PolarHBondContact O-N 3.05Å; S634-Y637 WeakPolarHBondContact OG-CB 3.25Å; S634-Y637 PolarHBondContact OG-N 2.89Å; S634-Y637 VanDerWaalsContact OG-N 3.15Å; S634-Q638 PolarHBondContact O-N 3.21Å; S634-Q638 VanDerWaalsContact O-N 3.09Å
635	K	87.3	Confident	88.5	Confident	183 Å²	183	38.3 Å²	38.3	80%	0.796	19%	0.185	S	C	*	.	H	α-helix	trans	-60.5	-41.3	177.4	-68.1	-177.7	-179.5	176.3	0	111.5	Q638 A639	K635-Q638 PolarHBondContact O-N 2.69Å; K635-A639 VanDerWaalsContact O-CB 3.31Å; K635-A639 WeakPolarHBondContact O-CB 3.11Å; K635-A639 PolarHBondContact O-N 3.25Å
636	I	87.6	Confident	88.2	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-68	-36.5	179.4	-170.1	55.9	0	0	0	112.2	F564 L630 S634 F640	F564-I636 HydrophobicContact CD2-CD1 4.34Å; F564-I636 HydrophobicContact CE2-CD1 3.85Å; F564-I636 HydrophobicContact CE2-CG1 4.39Å; L630-I636 HydrophobicContact CD2-CG1 4.06Å; L630-I636 HydrophobicContact CD2-CG2 4.11Å; S634-I636 VanDerWaalsContact C-N 3.3Å; S634-I636 PolarHBondContact O-N 3.35Å; S634-I636 WeakPolarHBondContact OG-CG2 3.41Å; I636-F640 WeakPolarHBondContact O-CB 3.49Å; I636-F640 PolarHBondContact O-N 2.97Å
637	Y	88.4	Confident	87.8	Confident	17 Å²	17	44.4 Å²	44.4	7%	0.067	22%	0.222	C	C	.	.	H	α-helix	trans	-59.5	-52.6	171.2	173	-84.3	0	0	0	110.4	S596 A601 L630 F631 S634 A639 F640 Y641	S596-Y637 VanDerWaalsContact CA-OH 3.25Å; S596-Y637 WeakPolarHBondContact CA-OH 3.34Å; S596-Y637 VanDerWaalsContact CB-OH 3.25Å; S596-Y637 WeakPolarHBondContact CB-OH 3.49Å; S596-Y637 PolarHBondContact OG-OH 2.73Å; A601-Y637 HydrophobicContact CB-CD2 4Å; A601-Y637 HydrophobicContact CB-CE2 3.72Å; L630-Y637 HydrophobicContact CB-CD2 4.27Å; F631-Y637 VanDerWaalsContact O-CB 3.26Å; F631-Y637 WeakPolarHBondContact O-CB 3.31Å; S634-Y637 WeakPolarHBondContact O-CB 3.48Å; S634-Y637 PolarHBondContact O-N 3.05Å; S634-Y637 WeakPolarHBondContact OG-CB 3.25Å; S634-Y637 PolarHBondContact OG-N 2.89Å; S634-Y637 VanDerWaalsContact OG-N 3.15Å; Y637-A639 VanDerWaalsContact C-N 3.34Å; Y637-A639 PolarHBondContact O-N 3.38Å; Y637-F640 PolarHBondContact O-N 3.13Å; Y637-Y641 HydrophobicContact CD1-CD2 4.33Å; Y637-Y641 HydrophobicContact CD1-CE2 4.35Å; Y637-Y641 HydrophobicContact CD2-CD2 4.41Å; Y637-Y641 AromaticContact CD2-CE2 3.8Å; Y637-Y641 HydrophobicContact CD2-CE2 3.8Å; Y637-Y641 HydrophobicContact CE1-CD2 4Å; Y637-Y641 AromaticContact CE1-CE2 3.86Å; Y637-Y641 HydrophobicContact CE1-CE2 3.86Å; Y637-Y641 HydrophobicContact CE2-CD2 4.14Å; Y637-Y641 AromaticContact CE2-CE2 3.26Å; Y637-Y641 HydrophobicContact CE2-CE2 3.26Å; Y637-Y641 AromaticContact CE2-CZ 3.84Å; Y637-Y641 HydrophobicContact CG-CD2 4.49Å; Y637-Y641 HydrophobicContact CG-CE2 4.3Å; Y637-Y641 AromaticContact CZ-CD2 3.88Å; Y637-Y641 AromaticContact CZ-CE2 3.25Å; Y637-Y641 AromaticContact CZ-CZ 3.68Å; Y637-Y641 VanDerWaalsContact O-CD2 3.3Å; Y637-Y641 WeakPolarHBondContact O-CD2 3.38Å; Y637-Y641 PolarHBondContact O-N 2.82Å; Y637-Y641 WeakPolarHBondContact OH-CE2 3.33Å; Y637-Y641 PolarHBondContact OH-OH 2.84Å
638	Q	87.9	Confident	87.4	Confident	115 Å²	115	44.6 Å²	44.6	54%	0.537	22%	0.223	S	C	.	.	H	α-helix	trans	-59.7	-44.6	-179.5	-68.3	175.5	-1	0	0	112.1	S634 K635 F640 Y641 S642	S634-Q638 PolarHBondContact O-N 3.21Å; S634-Q638 VanDerWaalsContact O-N 3.09Å; K635-Q638 PolarHBondContact O-N 2.69Å; Q638-F640 PolarHBondContact O-N 2.92Å; Q638-Y641 PolarHBondContact O-N 3.08Å; Q638-S642 PolarHBondContact O-N 2.94Å; Q638-S642 VanDerWaalsContact O-N 3.09Å; Q638-S642 PolarHBondContact O-OG 3.06Å
639	A	86.9	Confident	86.9	Confident	15 Å²	15	49.3 Å²	49.3	12%	0.124	25%	0.245	C	C	.	.	H	α-helix	trans	-62.6	-39.5	178.5	0	0	0	0	0	112.8	T541 K635 Y637 Y641 S642 E643	T541-A639 HydrophobicContact CG2-CB 3.92Å; K635-A639 VanDerWaalsContact O-CB 3.31Å; K635-A639 WeakPolarHBondContact O-CB 3.11Å; K635-A639 PolarHBondContact O-N 3.25Å; Y637-A639 VanDerWaalsContact C-N 3.34Å; Y637-A639 PolarHBondContact O-N 3.38Å; A639-Y641 PolarHBondContact O-N 3.49Å; A639-S642 WeakPolarHBondContact CA-OG 3.41Å; A639-S642 PolarHBondContact O-N 3.34Å; A639-S642 PolarHBondContact O-OG 3.25Å; A639-E643 WeakPolarHBondContact O-CB 3.41Å; A639-E643 PolarHBondContact O-N 2.83Å
640	F	89.1	Confident	86.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.272	C	S	.	.	I	π-helix	trans	-60.7	-45	176.3	-179.7	-95.4	0	0	0	111.8	F564 F591 L603 L630 I636 Y637 Q638 V644 F645 L658	F564-F640 HydrophobicContact CD1-CD2 4.39Å; F564-F640 HydrophobicContact CD1-CE2 4.45Å; F564-F640 HydrophobicContact CD2-CD2 4.31Å; F564-F640 AromaticContact CE1-CD2 3.9Å; F564-F640 HydrophobicContact CE1-CD2 3.9Å; F564-F640 AromaticContact CE1-CE2 3.95Å; F564-F640 HydrophobicContact CE1-CE2 3.95Å; F564-F640 HydrophobicContact CE2-CB 4.5Å; F564-F640 AromaticContact CE2-CD2 3.79Å; F564-F640 HydrophobicContact CE2-CD2 3.79Å; F564-F640 AromaticContact CZ-CD2 3.56Å; F564-F640 HydrophobicContact CZ-CD2 3.56Å; F564-F640 HydrophobicContact CZ-CE2 4.04Å; F591-F640 HydrophobicContact CD1-CE1 4.43Å; F591-F640 AromaticContact CD2-CE1 3.67Å; F591-F640 HydrophobicContact CD2-CE1 3.67Å; F591-F640 HydrophobicContact CD2-CZ 4.01Å; F591-F640 HydrophobicContact CE1-CE1 4.2Å; F591-F640 AromaticContact CE2-CD1 3.98Å; F591-F640 HydrophobicContact CE2-CD1 3.98Å; F591-F640 AromaticContact CE2-CE1 3.42Å; F591-F640 HydrophobicContact CE2-CE1 3.42Å; F591-F640 VanDerWaalsContact CE2-CE1 3.42Å; F591-F640 HydrophobicContact CE2-CZ 4.13Å; F591-F640 HydrophobicContact CG-CE1 4.17Å; F591-F640 HydrophobicContact CZ-CD1 4.06Å; F591-F640 AromaticContact CZ-CE1 3.7Å; F591-F640 HydrophobicContact CZ-CE1 3.7Å; L603-F640 HydrophobicContact CD1-CE2 4.47Å; L603-F640 HydrophobicContact CD1-CZ 4.13Å; L603-F640 HydrophobicContact CD2-CE2 4.35Å; L630-F640 HydrophobicContact CD1-CB 3.96Å; L630-F640 HydrophobicContact CD1-CD1 4.13Å; L630-F640 HydrophobicContact CD1-CD2 4.28Å; L630-F640 HydrophobicContact CD1-CG 3.85Å; I636-F640 WeakPolarHBondContact O-CB 3.49Å; I636-F640 PolarHBondContact O-N 2.97Å; Y637-F640 PolarHBondContact O-N 3.13Å; Q638-F640 PolarHBondContact O-N 2.92Å; F640-V644 HydrophobicContact CD2-CB 3.77Å; F640-V644 HydrophobicContact CD2-CG1 3.85Å; F640-V644 HydrophobicContact CD2-CG2 4.25Å; F640-V644 HydrophobicContact CE2-CB 4.05Å; F640-V644 HydrophobicContact CE2-CG1 3.67Å; F640-V644 HydrophobicContact CG-CB 4.38Å; F640-V644 WeakPolarHBondContact O-CA 3.34Å; F640-V644 WeakPolarHBondContact O-CB 3.11Å; F640-V644 PolarHBondContact O-N 3.24Å; F640-F645 HydrophobicContact CE1-CB 4.34Å; F640-F645 HydrophobicContact CE1-CD2 4.11Å; F640-F645 PolarHBondContact O-N 3.47Å; F640-L658 HydrophobicContact CZ-CD2 4.19Å
641	Y	86.6	Confident	84.6	Confident	55 Å²	55	63.2 Å²	63.2	22%	0.216	31%	0.31	C	S	.	.	I	π-helix	trans	-69.1	-39	179.1	-80.1	-101.5	0	0	0	112.9	F591 D593 Y637 Q638 A639	F591-Y641 HydrophobicContact CE1-CE1 4.11Å; F591-Y641 HydrophobicContact CE1-CE2 4.2Å; F591-Y641 AromaticContact CE1-CZ 3.6Å; F591-Y641 VanDerWaalsContact CE1-OH 3.23Å; F591-Y641 WeakPolarHBondContact CE1-OH 3.41Å; F591-Y641 HydrophobicContact CZ-CE1 4.45Å; F591-Y641 AromaticContact CZ-CE2 3.72Å; F591-Y641 HydrophobicContact CZ-CE2 3.72Å; F591-Y641 AromaticContact CZ-CZ 3.56Å; F591-Y641 WeakPolarHBondContact CZ-OH 3.46Å; D593-Y641 PolarHBondContact OD1-OH 3.35Å; Y637-Y641 HydrophobicContact CD1-CD2 4.33Å; Y637-Y641 HydrophobicContact CD1-CE2 4.35Å; Y637-Y641 HydrophobicContact CD2-CD2 4.41Å; Y637-Y641 AromaticContact CD2-CE2 3.8Å; Y637-Y641 HydrophobicContact CD2-CE2 3.8Å; Y637-Y641 HydrophobicContact CE1-CD2 4Å; Y637-Y641 AromaticContact CE1-CE2 3.86Å; Y637-Y641 HydrophobicContact CE1-CE2 3.86Å; Y637-Y641 HydrophobicContact CE2-CD2 4.14Å; Y637-Y641 AromaticContact CE2-CE2 3.26Å; Y637-Y641 HydrophobicContact CE2-CE2 3.26Å; Y637-Y641 AromaticContact CE2-CZ 3.84Å; Y637-Y641 HydrophobicContact CG-CD2 4.49Å; Y637-Y641 HydrophobicContact CG-CE2 4.3Å; Y637-Y641 AromaticContact CZ-CD2 3.88Å; Y637-Y641 AromaticContact CZ-CE2 3.25Å; Y637-Y641 AromaticContact CZ-CZ 3.68Å; Y637-Y641 VanDerWaalsContact O-CD2 3.3Å; Y637-Y641 WeakPolarHBondContact O-CD2 3.38Å; Y637-Y641 PolarHBondContact O-N 2.82Å; Y637-Y641 WeakPolarHBondContact OH-CE2 3.33Å; Y637-Y641 PolarHBondContact OH-OH 2.84Å; Q638-Y641 PolarHBondContact O-N 3.08Å; A639-Y641 PolarHBondContact O-N 3.49Å
642	S	86.1	Confident	83.1	Confident	77 Å²	77	66.3 Å²	66.3	54%	0.538	33%	0.327	S	S	.	.	I	π-helix	trans	-74.9	-39.9	-177.2	56.1	0	0	0	0	113	Q638 A639	Q638-S642 PolarHBondContact O-N 2.94Å; Q638-S642 VanDerWaalsContact O-N 3.09Å; Q638-S642 PolarHBondContact O-OG 3.06Å; A639-S642 WeakPolarHBondContact CA-OG 3.41Å; A639-S642 PolarHBondContact O-N 3.34Å; A639-S642 PolarHBondContact O-OG 3.25Å
643	E	86.2	Confident	81.4	Confident	89 Å²	89	74.7 Å²	74.7	42%	0.416	37%	0.371	S	S	.	.	I	π-helix	trans	-116.2	-20.6	-164.8	-69.1	165.3	-149.9	0	0	114.1	T541 A639 L647	T541-E643 WeakPolarHBondContact CB-OE2 3.12Å; T541-E643 HydrophobicContact CG2-CB 4.5Å; T541-E643 PolarHBondContact OG1-OE2 3.33Å; A639-E643 WeakPolarHBondContact O-CB 3.41Å; A639-E643 PolarHBondContact O-N 2.83Å; E643-L647 WeakPolarHBondContact O-CD1 3.46Å
644	V	86.1	Confident	80.1	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.36	C	S	.	.	I	π-helix	trans	-113.4	-44.7	-172.9	-174.2	0	0	0	0	112.8	L540 T541 F564 F640 S646 L647 W648	L540-V644 HydrophobicContact CB-CG2 4.18Å; L540-V644 HydrophobicContact CD1-CB 4.5Å; L540-V644 HydrophobicContact CD1-CG1 4.26Å; L540-V644 HydrophobicContact CD1-CG2 4.27Å; T541-V644 HydrophobicContact CG2-CG2 3.56Å; F564-V644 HydrophobicContact CB-CG1 4.09Å; F564-V644 HydrophobicContact CB-CG2 3.57Å; F564-V644 HydrophobicContact CD1-CG1 4.17Å; F564-V644 HydrophobicContact CD2-CG2 3.93Å; F564-V644 HydrophobicContact CG-CG1 4.14Å; F564-V644 HydrophobicContact CG-CG2 3.82Å; F640-V644 HydrophobicContact CD2-CB 3.77Å; F640-V644 HydrophobicContact CD2-CG1 3.85Å; F640-V644 HydrophobicContact CD2-CG2 4.25Å; F640-V644 HydrophobicContact CE2-CB 4.05Å; F640-V644 HydrophobicContact CE2-CG1 3.67Å; F640-V644 HydrophobicContact CG-CB 4.38Å; F640-V644 WeakPolarHBondContact O-CA 3.34Å; F640-V644 WeakPolarHBondContact O-CB 3.11Å; F640-V644 PolarHBondContact O-N 3.24Å; V644-S646 PolarHBondContact O-N 3.47Å; V644-L647 PolarHBondContact O-N 2.84Å; V644-W648 HydrophobicContact CG1-CD2 3.63Å; V644-W648 HydrophobicContact CG1-CE3 3.96Å; V644-W648 HydrophobicContact CG1-CG 3.93Å; V644-W648 HydrophobicContact CG1-CZ2 4.25Å; V644-W648 HydrophobicContact CG1-CZ3 4.4Å; V644-W648 PolarHBondContact O-N 2.82Å
645	F	86.3	Confident	79	Confident	39 Å²	39	72.1 Å²	72.1	17%	0.171	38%	0.383	C	S	.	.	H	α-helix	trans	-55.3	-49.4	-169.5	-179.6	-98.1	0	0	0	113.6	F591 F640 Q649 L658 V660	F591-F645 HydrophobicContact CD1-CD2 4.09Å; F591-F645 AromaticContact CD1-CE2 3.71Å; F591-F645 HydrophobicContact CD1-CE2 3.71Å; F591-F645 HydrophobicContact CE1-CD2 4.28Å; F591-F645 HydrophobicContact CE1-CE2 4.12Å; F640-F645 HydrophobicContact CE1-CB 4.34Å; F640-F645 HydrophobicContact CE1-CD2 4.11Å; F640-F645 PolarHBondContact O-N 3.47Å; F645-Q649 WeakPolarHBondContact O-CB 3.39Å; F645-Q649 PolarHBondContact O-N 2.55Å; F645-L658 HydrophobicContact CD2-CD2 3.87Å; F645-L658 HydrophobicContact CE2-CD2 4.22Å; F645-V660 HydrophobicContact CE2-CG2 3.81Å; F645-V660 HydrophobicContact CZ-CG2 3.66Å
646	S	84.6	Confident	78.5	Confident	58 Å²	58	64.8 Å²	64.8	41%	0.406	35%	0.353	S	S	.	.	H	α-helix	trans	-69	-38	-177.7	59.7	0	0	0	0	113	V644 Q649 Q650	V644-S646 PolarHBondContact O-N 3.47Å; S646-Q649 PolarHBondContact O-N 2.98Å; S646-Q650 WeakPolarHBondContact O-CG 3.31Å; S646-Q650 PolarHBondContact O-N 3.19Å
647	L	83.4	Confident	78.2	Confident	75 Å²	75	66.2 Å²	66.2	39%	0.393	36%	0.362	S	S	.	.	H	α-helix	trans	-70.2	-42.2	179.8	-69.1	176.8	0	0	0	111.6	L540 E643 V644 Q649 Q650	L540-L647 HydrophobicContact CD1-CD1 4.16Å; L540-L647 HydrophobicContact CD2-CD1 3.54Å; L540-L647 HydrophobicContact CG-CD1 4.47Å; E643-L647 WeakPolarHBondContact O-CD1 3.46Å; V644-L647 PolarHBondContact O-N 2.84Å; L647-Q649 VanDerWaalsContact C-N 3.26Å; L647-Q649 PolarHBondContact O-N 3.12Å; L647-Q650 PolarHBondContact O-N 2.83Å
648	W	85.6	Confident	78.2	Confident	5 Å²	5	65.6 Å²	65.6	2%	0.019	36%	0.36	C	S	.	.	H	α-helix	trans	-74.4	-16.7	178.4	-77.7	16.9	0	0	0	113.6	F564 F565 G568 L569 I589 L603 V644 L658	F564-W648 AromaticContact CD1-CH2 3.63Å; F564-W648 HydrophobicContact CD1-CH2 3.63Å; F564-W648 HydrophobicContact CD1-CZ2 4.08Å; F564-W648 HydrophobicContact CD1-CZ3 4.16Å; F564-W648 HydrophobicContact CE1-CH2 4.21Å; F564-W648 HydrophobicContact CE1-CZ3 4.39Å; F565-W648 VanDerWaalsContact O-CZ2 3.25Å; F565-W648 WeakPolarHBondContact O-CZ2 3.34Å; F565-W648 PolarHBondContact O-NE1 2.96Å; G568-W648 WeakPolarHBondContact O-CZ2 3.48Å; L569-W648 HydrophobicContact CB-CH2 4.36Å; L569-W648 HydrophobicContact CD2-CH2 4.28Å; I589-W648 HydrophobicContact CD1-CE3 3.69Å; I589-W648 HydrophobicContact CD1-CH2 4.24Å; I589-W648 HydrophobicContact CD1-CZ3 3.33Å; L603-W648 HydrophobicContact CD2-CZ3 4.12Å; V644-W648 HydrophobicContact CG1-CD2 3.63Å; V644-W648 HydrophobicContact CG1-CE3 3.96Å; V644-W648 HydrophobicContact CG1-CG 3.93Å; V644-W648 HydrophobicContact CG1-CZ2 4.25Å; V644-W648 HydrophobicContact CG1-CZ3 4.4Å; V644-W648 PolarHBondContact O-N 2.82Å; W648-L658 HydrophobicContact CB-CB 4.03Å; W648-L658 HydrophobicContact CB-CD2 4.36Å; W648-L658 WeakPolarHBondContact O-CB 2.92Å; W648-L658 PolarHBondContact O-N 2.75Å
649	Q	83.1	Confident	78.2	Confident	99 Å²	99	66.4 Å²	66.4	46%	0.463	36%	0.362	S	S	.	.	H	α-helix	trans	-80	-27.3	173.6	-166.3	176.6	22.7	0	0	112.8	F645 S646 L647	F645-Q649 WeakPolarHBondContact O-CB 3.39Å; F645-Q649 PolarHBondContact O-N 2.55Å; S646-Q649 PolarHBondContact O-N 2.98Å; L647-Q649 VanDerWaalsContact C-N 3.26Å; L647-Q649 PolarHBondContact O-N 3.12Å
650	Q	76.5	Confident	78.3	Confident	125 Å²	125	69.4 Å²	69.4	58%	0.584	38%	0.378	S	S	*	.	S	Bend	trans	-69.4	136.9	176.1	-69	176.9	16.4	0	0	110.2	S646 L647 D652	S646-Q650 WeakPolarHBondContact O-CG 3.31Å; S646-Q650 PolarHBondContact O-N 3.19Å; L647-Q650 PolarHBondContact O-N 2.83Å; Q650-D652 PolarHBondContact O-N 3.16Å; Q650-D652 VanDerWaalsContact O-N 3.15Å
651	Q	59.1	Low	78.3	Confident	167 Å²	167	71.1 Å²	71.1	78%	0.78	39%	0.387	S	S	*	.			trans	-74.4	104.7	177.4	-85.6	-173.4	-22.1	0	0	110.1
652	D	57.8	Low	78.3	Confident	85 Å²	85	76.4 Å²	76.4	46%	0.455	41%	0.414	S	S	.	.			trans	-81.9	165.1	164.8	-82.2	-29.1	0	0	0	111.6	Q650 S654 G655	Q650-D652 PolarHBondContact O-N 3.16Å; Q650-D652 VanDerWaalsContact O-N 3.15Å; D652-S654 PolarHBondContact O-N 3.28Å; D652-G655 PolarHBondContact O-N 3.36Å; D652-G655 VanDerWaalsContact O-N 3.15Å
653	N	52.1	Low	78.1	Confident	184 Å²	184	78.8 Å²	78.8	98%	0.984	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-8.7	178.2	-70.4	-28.4	0	0	0	115.4
654	S	55.6	Low	77.8	Confident	63 Å²	63	78 Å²	78	44%	0.441	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-7.7	179.2	58.6	0	0	0	0	114.7	D652 L656	D652-S654 PolarHBondContact O-N 3.28Å; S654-L656 PolarHBondContact O-N 3.19Å
655	G	63	Low	77.6	Confident	64 Å²	64	80.4 Å²	80.4	66%	0.66	46%	0.457	S	S	*	.	S	Bend	trans	75.1	-2.1	173.9	0	0	0	0	0	116.4	D652	D652-G655 PolarHBondContact O-N 3.36Å; D652-G655 VanDerWaalsContact O-N 3.15Å
656	L	75.9	Confident	77.6	Confident	29 Å²	29	79.1 Å²	79.1	15%	0.152	45%	0.452	C	S	.	.			trans	-104.4	106.7	177.6	-82.3	152.3	0	0	0	110.9	K583 M586 N587 S654	K583-L656 HydrophobicContact CB-CD1 4.35Å; K583-L656 WeakPolarHBondContact O-CD1 3.17Å; M586-L656 HydrophobicContact CB-CD1 4.29Å; M586-L656 HydrophobicContact CB-CD2 4.49Å; N587-L656 WeakPolarHBondContact O-CD2 3.47Å; S654-L656 PolarHBondContact O-N 3.19Å
657	S	82.8	Confident	77.8	Confident	29 Å²	29	78.8 Å²	78.8	20%	0.203	45%	0.45	C	S	.	.			trans	-113.5	143.7	175.2	63	0	0	0	0	111.7	K659	S657-K659 PolarHBondContact O-N 3.44Å
658	L	86.9	Confident	78	Confident	5 Å²	5	81.4 Å²	81.4	3%	0.026	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-62.8	122.1	176.1	-171.7	68.4	0	0	0	111.8	I589 F591 L603 F640 F645 W648	I589-L658 HydrophobicContact CB-CD1 4.36Å; I589-L658 HydrophobicContact CD1-CD1 4.22Å; I589-L658 HydrophobicContact CG1-CD1 3.78Å; I589-L658 HydrophobicContact CG2-CB 4.42Å; I589-L658 HydrophobicContact CG2-CD1 4.01Å; F591-L658 HydrophobicContact CB-CD1 3.96Å; F591-L658 HydrophobicContact CB-CD2 4.13Å; F591-L658 HydrophobicContact CB-CG 4.12Å; L603-L658 HydrophobicContact CD1-CD1 3.72Å; F640-L658 HydrophobicContact CZ-CD2 4.19Å; F645-L658 HydrophobicContact CD2-CD2 3.87Å; F645-L658 HydrophobicContact CE2-CD2 4.22Å; W648-L658 HydrophobicContact CB-CB 4.03Å; W648-L658 HydrophobicContact CB-CD2 4.36Å; W648-L658 WeakPolarHBondContact O-CB 2.92Å; W648-L658 PolarHBondContact O-N 2.75Å
659	K	88.9	Confident	77.9	Confident	132 Å²	132	85.6 Å²	85.6	57%	0.574	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	123.4	176.9	-66.3	-178.9	-177.1	174.6	0	111.2	I589 S590 F591 S657	I589-K659 PolarHBondContact O-N 2.91Å; S590-K659 CarbonylContact C-O 3.59Å; S590-K659 WeakPolarHBondContact CA-O 3.44Å; F591-K659 PolarHBondContact N-O 3.45Å; S657-K659 PolarHBondContact O-N 3.44Å
660	V	87.9	Confident	78.2	Confident	77 Å²	77	82.1 Å²	82.1	47%	0.467	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	127.9	173.2	-174.8	0	0	0	0	109.2	F591 F645	F591-V660 WeakPolarHBondContact O-CA 3.39Å; F645-V660 HydrophobicContact CE2-CG2 3.81Å; F645-V660 HydrophobicContact CZ-CG2 3.66Å
661	I	89.8	Confident	78.8	Confident	36 Å²	36	80.3 Å²	80.3	19%	0.185	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	148	179.9	58.2	169.9	0	0	0	110.9	F591 Y592 L604 L666	F591-I661 PolarHBondContact O-N 2.89Å; Y592-I661 WeakPolarHBondContact CD2-O 3.29Å; L604-I661 HydrophobicContact CD1-CD1 3.61Å; I661-L666 HydrophobicContact CD1-CD2 3.52Å; I661-L666 HydrophobicContact CD1-CG 4.23Å
662	Q	86.7	Confident	80.1	Confident	167 Å²	167	78.2 Å²	78.2	78%	0.78	45%	0.447	S	S	*	.			trans	-90.8	170.4	169.6	-64.6	-172.3	1.7	0	0	110.5	G664 G665	Q662-G664 PolarHBondContact O-N 3.3Å; Q662-G664 VanDerWaalsContact O-N 3.14Å; Q662-G665 WeakPolarHBondContact O-CA 3.46Å; Q662-G665 PolarHBondContact O-N 3.11Å
663	E	81.1	Confident	81.5	Confident	127 Å²	127	75.3 Å²	75.3	59%	0.593	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-55.7	-35.1	-177.7	-169.8	-175.6	177	0	0	112.8	Y592 G665 L666 K671	Y592-E663 HydrophobicContact CE2-CB 4.01Å; E663-G665 PolarHBondContact O-N 3.46Å; E663-L666 PolarHBondContact O-N 3.48Å; E663-K671 WeakPolarHBondContact O-CE 3.4Å; E663-K671 PolarHBondContact O-NZ 2.93Å
664	G	81.2	Confident	83.3	Confident	71 Å²	71	67.5 Å²	67.5	73%	0.732	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-63.9	-20.6	174.8	0	0	0	0	0	114.7	Q662	Q662-G664 PolarHBondContact O-N 3.3Å; Q662-G664 VanDerWaalsContact O-N 3.14Å
665	G	81.9	Confident	84.8	Confident	52 Å²	52	67.4 Å²	67.4	54%	0.536	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-87.2	-8.8	-179.7	0	0	0	0	0	115	Q662 E663	Q662-G665 WeakPolarHBondContact O-CA 3.46Å; Q662-G665 PolarHBondContact O-N 3.11Å; E663-G665 PolarHBondContact O-N 3.46Å
666	L	86.5	Confident	85.9	Confident	11 Å²	11	65.5 Å²	65.5	6%	0.058	37%	0.365	C	S	.	.	S	Bend	trans	-76.7	135.2	175.9	-64.9	170.5	0	0	0	110.8	Y592 L604 I661 E663 Q670 K671	Y592-L666 HydrophobicContact CD1-CD1 4.36Å; Y592-L666 HydrophobicContact CD2-CD1 4.32Å; Y592-L666 HydrophobicContact CE2-CD1 4.49Å; Y592-L666 HydrophobicContact CG-CD1 4.25Å; L604-L666 HydrophobicContact CD1-CD2 3.59Å; I661-L666 HydrophobicContact CD1-CD2 3.52Å; I661-L666 HydrophobicContact CD1-CG 4.23Å; E663-L666 PolarHBondContact O-N 3.48Å; L666-Q670 HydrophobicContact CB-CB 4.23Å; L666-Q670 HydrophobicContact CD2-CB 4.09Å; L666-K671 HydrophobicContact CB-CD 4.36Å; L666-K671 HydrophobicContact CB-CG 3.54Å; L666-K671 HydrophobicContact CD1-CG 4.23Å; L666-K671 VanDerWaalsContact O-CE 3.26Å; L666-K671 WeakPolarHBondContact O-CE 3.39Å
667	S	88.3	Confident	86.5	Confident	52 Å²	52	64.1 Å²	64.1	36%	0.364	36%	0.358	S	S	.	.			trans	-64.8	164	170.5	82	0	0	0	0	111.4	E669 Q670 K671	S667-E669 PolarHBondContact O-N 2.67Å; S667-Q670 PolarHBondContact O-N 2.92Å; S667-Q670 VanDerWaalsContact OG-CG 3.3Å; S667-Q670 WeakPolarHBondContact OG-CG 3.48Å; S667-Q670 PolarHBondContact OG-N 3.23Å; S667-Q670 VanDerWaalsContact OG-N 3.15Å; S667-K671 WeakPolarHBondContact O-CG 3.17Å; S667-K671 PolarHBondContact O-N 2.94Å
668	V	86.6	Confident	86.8	Confident	129 Å²	129	64.9 Å²	64.9	78%	0.782	36%	0.358	S	S	*	.	H	α-helix	trans	-57.9	-39.5	177.6	179.7	0	0	0	0	111.4	R672	V668-R672 PolarHBondContact O-N 3.15Å; V668-R672 VanDerWaalsContact O-N 3.12Å
669	E	85	Confident	86.7	Confident	93 Å²	93	67.7 Å²	67.7	44%	0.435	37%	0.37	S	S	.	.	H	α-helix	trans	-65.9	-46.3	176.3	-65.5	-179.5	-177.9	0	0	111.7	S623 F625 S667 K671 R672 L673	S623-E669 VanDerWaalsContact CB-OE2 3.31Å; S623-E669 WeakPolarHBondContact CB-OE2 3.38Å; S623-E669 PolarHBondContact OG-OE2 2.85Å; F625-E669 HydrophobicContact CE1-CB 4.42Å; S667-E669 PolarHBondContact O-N 2.67Å; E669-K671 PolarHBondContact O-N 2.63Å; E669-R672 WeakPolarHBondContact O-CB 3.35Å; E669-R672 PolarHBondContact O-N 2.9Å; E669-L673 PolarHBondContact O-N 2.77Å; E669-L673 VanDerWaalsContact O-N 3.07Å
670	Q	89.3	Confident	86.5	Confident	26 Å²	26	62.8 Å²	62.8	12%	0.121	35%	0.35	C	S	.	.	H	α-helix	trans	-63.9	-39.8	178.8	-69.7	166.5	-13.7	0	0	111.7	L604 F625 L666 S667 R672 L673 H674	L604-Q670 HydrophobicContact CD1-CG 4.42Å; L604-Q670 HydrophobicContact CD2-CG 4.1Å; F625-Q670 HydrophobicContact CE1-CG 4.43Å; F625-Q670 HydrophobicContact CE2-CG 4.02Å; F625-Q670 HydrophobicContact CZ-CG 3.94Å; L666-Q670 HydrophobicContact CB-CB 4.23Å; L666-Q670 HydrophobicContact CD2-CB 4.09Å; S667-Q670 PolarHBondContact O-N 2.92Å; S667-Q670 VanDerWaalsContact OG-CG 3.3Å; S667-Q670 WeakPolarHBondContact OG-CG 3.48Å; S667-Q670 PolarHBondContact OG-N 3.23Å; S667-Q670 VanDerWaalsContact OG-N 3.15Å; Q670-R672 VanDerWaalsContact C-N 3.32Å; Q670-R672 PolarHBondContact O-N 2.8Å; Q670-L673 PolarHBondContact O-N 3.15Å; Q670-H674 VanDerWaalsContact O-CB 3.3Å; Q670-H674 WeakPolarHBondContact O-CB 3.19Å; Q670-H674 PolarHBondContact O-N 3.21Å
671	K	88.1	Confident	86.5	Confident	87 Å²	87	60.5 Å²	60.5	38%	0.378	33%	0.334	S	S	.	.	H	α-helix	trans	-61.2	-40	173.8	-73.3	-178.4	178.4	-178.8	0	112.2	E663 L666 S667 E669 S675	E663-K671 WeakPolarHBondContact O-CE 3.4Å; E663-K671 PolarHBondContact O-NZ 2.93Å; L666-K671 HydrophobicContact CB-CD 4.36Å; L666-K671 HydrophobicContact CB-CG 3.54Å; L666-K671 HydrophobicContact CD1-CG 4.23Å; L666-K671 VanDerWaalsContact O-CE 3.26Å; L666-K671 WeakPolarHBondContact O-CE 3.39Å; S667-K671 WeakPolarHBondContact O-CG 3.17Å; S667-K671 PolarHBondContact O-N 2.94Å; E669-K671 PolarHBondContact O-N 2.63Å; K671-S675 VanDerWaalsContact O-CB 3.26Å; K671-S675 WeakPolarHBondContact O-CB 3.41Å; K671-S675 PolarHBondContact O-N 3.45Å
672	R	86.5	Confident	86.2	Confident	123 Å²	123	61.7 Å²	61.7	46%	0.464	35%	0.345	S	S	.	.	H	α-helix	trans	-62.9	-47.9	176.6	-175.5	-174.4	176.3	165.3	8.3	111.4	V668 E669 Q670 S675 S676 E704	V668-R672 PolarHBondContact O-N 3.15Å; V668-R672 VanDerWaalsContact O-N 3.12Å; E669-R672 WeakPolarHBondContact O-CB 3.35Å; E669-R672 PolarHBondContact O-N 2.9Å; Q670-R672 VanDerWaalsContact C-N 3.32Å; Q670-R672 PolarHBondContact O-N 2.8Å; R672-S675 PolarHBondContact O-N 2.72Å; R672-S676 PolarHBondContact O-N 2.88Å; R672-E704 IonicContact CZ-OE1 3.49Å; R672-E704 IonicContact NH2-OE1 2.75Å; R672-E704 PolarHBondContact NH2-OE1 3.32Å
673	L	87.3	Confident	85.8	Confident	24 Å²	24	54 Å²	54	13%	0.126	31%	0.311	C	S	.	.	H	α-helix	trans	-65.7	-42.8	178.8	-65.1	-179.4	0	0	0	111.7	Y549 S550 F625 M627 E669 Q670 S676 A677	Y549-L673 HydrophobicContact CD1-CD2 4.31Å; S550-L673 WeakPolarHBondContact O-CD1 3.49Å; F625-L673 HydrophobicContact CE2-CD1 3.68Å; F625-L673 HydrophobicContact CZ-CD1 3.56Å; M627-L673 HydrophobicContact CE-CB 3.74Å; M627-L673 HydrophobicContact SD-CB 4.14Å; E669-L673 PolarHBondContact O-N 2.77Å; E669-L673 VanDerWaalsContact O-N 3.07Å; Q670-L673 PolarHBondContact O-N 3.15Å; L673-S676 WeakPolarHBondContact O-CB 3.49Å; L673-S676 PolarHBondContact O-N 2.78Å; L673-A677 PolarHBondContact O-N 3Å
674	H	89.6	Confident	85.7	Confident	21 Å²	21	51.3 Å²	51.3	10%	0.097	30%	0.3	C	S	.	.	H	α-helix	trans	-61.3	-45.2	176	179.1	-88.3	0	0	0	112	Y592 V600 M627 Q670 S676 A677 Q678	Y592-H674 AromaticContact CD1-CD2 3.81Å; Y592-H674 AromaticContact CD1-NE2 3.6Å; Y592-H674 AromaticContact CE1-CD2 3.97Å; Y592-H674 AromaticContact CE1-CE1 3.63Å; Y592-H674 AromaticContact CE1-NE2 3.37Å; Y592-H674 WeakPolarHBondContact CE1-NE2 3.11Å; V600-H674 PolarHBondContact O-NE2 3.4Å; M627-H674 HydrophobicContact SD-CB 4.47Å; Q670-H674 VanDerWaalsContact O-CB 3.3Å; Q670-H674 WeakPolarHBondContact O-CB 3.19Å; Q670-H674 PolarHBondContact O-N 3.21Å; H674-S676 VanDerWaalsContact C-N 3.28Å; H674-S676 PolarHBondContact O-N 2.86Å; H674-A677 WeakPolarHBondContact O-CB 3.04Å; H674-A677 PolarHBondContact O-N 3.07Å; H674-A677 VanDerWaalsContact O-N 3.13Å; H674-Q678 WeakPolarHBondContact O-CB 3.34Å; H674-Q678 PolarHBondContact O-N 3.46Å
675	S	88.1	Confident	85.3	Confident	61 Å²	61	51 Å²	51	43%	0.427	29%	0.286	S	S	.	.	H	α-helix	trans	-58.9	-39.9	174.8	-177.9	0	0	0	0	112	K671 R672 Q678 K679	K671-S675 VanDerWaalsContact O-CB 3.26Å; K671-S675 WeakPolarHBondContact O-CB 3.41Å; K671-S675 PolarHBondContact O-N 3.45Å; R672-S675 PolarHBondContact O-N 2.72Å; S675-Q678 PolarHBondContact O-N 2.83Å; S675-K679 WeakPolarHBondContact O-CG 3.28Å; S675-K679 PolarHBondContact O-N 3.05Å
676	S	86.1	Confident	84.4	Confident	24 Å²	24	51.2 Å²	51.2	17%	0.168	27%	0.274	C	S	.	.	H	α-helix	trans	-61.4	-47.2	173.4	-173.3	0	0	0	0	111.9	R672 L673 H674 Q678 K679 L680	R672-S676 PolarHBondContact O-N 2.88Å; L673-S676 WeakPolarHBondContact O-CB 3.49Å; L673-S676 PolarHBondContact O-N 2.78Å; H674-S676 VanDerWaalsContact C-N 3.28Å; H674-S676 PolarHBondContact O-N 2.86Å; S676-Q678 VanDerWaalsContact C-N 3.32Å; S676-Q678 PolarHBondContact O-N 3.31Å; S676-K679 PolarHBondContact O-N 2.73Å; S676-L680 PolarHBondContact O-N 3.07Å
677	A	88.4	Confident	83	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-39	175.7	0	0	0	0	0	112.6	Y549 V600 M627 A629 L673 H674 L680 F681	Y549-A677 HydrophobicContact CE2-CB 3.89Å; Y549-A677 VanDerWaalsContact OH-CA 3.3Å; Y549-A677 WeakPolarHBondContact OH-CA 3.37Å; V600-A677 HydrophobicContact CG1-CB 4.28Å; M627-A677 HydrophobicContact CE-CB 4.28Å; A629-A677 HydrophobicContact CB-CB 4.05Å; L673-A677 PolarHBondContact O-N 3Å; H674-A677 WeakPolarHBondContact O-CB 3.04Å; H674-A677 PolarHBondContact O-N 3.07Å; H674-A677 VanDerWaalsContact O-N 3.13Å; A677-L680 PolarHBondContact O-N 2.86Å; A677-F681 WeakPolarHBondContact O-CB 3.47Å; A677-F681 PolarHBondContact O-N 2.78Å
678	Q	88.6	Confident	80.9	Confident	44 Å²	44	58.4 Å²	58.4	21%	0.206	33%	0.33	C	S	.	.	H	α-helix	trans	-64.6	-42	176.3	-172.5	63	44.2	0	0	112.2	S598 H674 S675 S676 F681 S682	S598-Q678 PolarHBondContact O-NE2 3.02Å; H674-Q678 WeakPolarHBondContact O-CB 3.34Å; H674-Q678 PolarHBondContact O-N 3.46Å; S675-Q678 PolarHBondContact O-N 2.83Å; S676-Q678 VanDerWaalsContact C-N 3.32Å; S676-Q678 PolarHBondContact O-N 3.31Å; Q678-F681 PolarHBondContact O-N 2.84Å; Q678-S682 WeakPolarHBondContact O-CB 3.24Å; Q678-S682 PolarHBondContact O-N 2.84Å; Q678-S682 PolarHBondContact O-OG 2.82Å
679	K	86	Confident	78.9	Confident	65 Å²	65	55.9 Å²	55.9	28%	0.283	33%	0.33	S	S	.	.	H	α-helix	trans	-62.2	-44.1	174.4	-73.9	-174.9	179.4	-163.3	0	111	S675 S676 S682 A683 A700 P703 D706	S675-K679 WeakPolarHBondContact O-CG 3.28Å; S675-K679 PolarHBondContact O-N 3.05Å; S676-K679 PolarHBondContact O-N 2.73Å; K679-S682 PolarHBondContact O-N 3.48Å; K679-A683 WeakPolarHBondContact O-CB 3.37Å; K679-A683 PolarHBondContact O-N 2.9Å; K679-A700 HydrophobicContact CB-CB 4.17Å; K679-P703 PolarHBondContact NZ-O 3.15Å; K679-D706 IonicContact NZ-OD2 2.79Å
680	L	84.6	Confident	77.1	Confident	29 Å²	29	58.3 Å²	58.3	15%	0.152	34%	0.341	C	S	.	.	H	α-helix	trans	-60.4	-49.8	176.7	-177.9	62.2	0	0	0	111.5	Y547 F631 S676 A677 S682 A683 L684	Y547-L680 HydrophobicContact CD1-CD2 4.17Å; Y547-L680 HydrophobicContact CE1-CD2 4.1Å; F631-L680 HydrophobicContact CZ-CD2 4.23Å; F631-L680 HydrophobicContact CZ-CG 4.22Å; S676-L680 PolarHBondContact O-N 3.07Å; A677-L680 PolarHBondContact O-N 2.86Å; L680-S682 VanDerWaalsContact C-N 3.32Å; L680-S682 PolarHBondContact O-N 3Å; L680-A683 PolarHBondContact O-N 3.48Å; L680-A683 VanDerWaalsContact O-N 3.16Å; L680-L684 HydrophobicContact CD1-CD1 3.99Å; L680-L684 HydrophobicContact CD1-CG 4.28Å; L680-L684 HydrophobicContact CG-CD1 3.88Å; L680-L684 VanDerWaalsContact O-CG 3.3Å; L680-L684 WeakPolarHBondContact O-CG 3.21Å; L680-L684 PolarHBondContact O-N 2.79Å
681	F	86.3	Confident	75.1	Confident	28 Å²	28	67 Å²	67	12%	0.123	38%	0.378	C	S	.	.	H	α-helix	trans	-56.3	-45.4	175.5	172.6	-111.6	0	0	0	112.2	S598 V600 F631 P632 A677 Q678 A683 L684 S685	S598-F681 WeakPolarHBondContact O-CE1 3.38Å; V600-F681 HydrophobicContact CG2-CB 3.47Å; V600-F681 VanDerWaalsContact CG2-CB 3.47Å; V600-F681 HydrophobicContact CG2-CD1 4.01Å; V600-F681 HydrophobicContact CG2-CG 3.77Å; F631-F681 HydrophobicContact CB-CD2 3.8Å; F631-F681 HydrophobicContact CB-CE2 4.06Å; F631-F681 HydrophobicContact CD1-CB 4Å; F631-F681 HydrophobicContact CD1-CD2 4.04Å; F631-F681 HydrophobicContact CD1-CG 4.33Å; F631-F681 AromaticContact CD2-CD2 3.78Å; F631-F681 HydrophobicContact CD2-CD2 3.78Å; F631-F681 HydrophobicContact CE1-CB 3.82Å; F631-F681 HydrophobicContact CE2-CB 4.37Å; F631-F681 HydrophobicContact CE2-CD2 4.35Å; F631-F681 HydrophobicContact CG-CB 4.36Å; F631-F681 AromaticContact CG-CD2 3.6Å; F631-F681 HydrophobicContact CG-CD2 3.6Å; F631-F681 HydrophobicContact CG-CE2 4.36Å; F631-F681 HydrophobicContact CG-CG 4.34Å; F631-F681 HydrophobicContact CZ-CB 4.02Å; P632-F681 HydrophobicContact CB-CZ 4.11Å; P632-F681 HydrophobicContact CG-CE1 4.1Å; P632-F681 HydrophobicContact CG-CE2 4.41Å; P632-F681 HydrophobicContact CG-CZ 3.92Å; A677-F681 WeakPolarHBondContact O-CB 3.47Å; A677-F681 PolarHBondContact O-N 2.78Å; Q678-F681 PolarHBondContact O-N 2.84Å; F681-A683 VanDerWaalsContact C-N 3.3Å; F681-A683 PolarHBondContact O-N 2.64Å; F681-L684 PolarHBondContact O-N 3.03Å; F681-S685 WeakPolarHBondContact CD2-OG 3.25Å; F681-S685 WeakPolarHBondContact CE2-OG 3.34Å; F681-S685 WeakPolarHBondContact CZ-OG 3.44Å; F681-S685 WeakPolarHBondContact O-CB 3.3Å; F681-S685 PolarHBondContact O-N 2.87Å; F681-S685 PolarHBondContact O-OG 3.08Å
682	S	84.4	Confident	73.5	Confident	61 Å²	61	68.9 Å²	68.9	43%	0.427	38%	0.383	S	S	.	.	H	α-helix	trans	-63.3	-35.2	179.3	-56.3	0	0	0	0	112.4	Q678 K679 L680	Q678-S682 WeakPolarHBondContact O-CB 3.24Å; Q678-S682 PolarHBondContact O-N 2.84Å; Q678-S682 PolarHBondContact O-OG 2.82Å; K679-S682 PolarHBondContact O-N 3.48Å; L680-S682 VanDerWaalsContact C-N 3.32Å; L680-S682 PolarHBondContact O-N 3Å
683	A	79.1	Confident	72	Confident	7 Å²	7	65 Å²	65	6%	0.058	38%	0.375	C	S	.	.	H	α-helix	trans	-76.9	-23.7	176.8	0	0	0	0	0	113.8	K679 L680 F681 R692 L697 A700	K679-A683 WeakPolarHBondContact O-CB 3.37Å; K679-A683 PolarHBondContact O-N 2.9Å; L680-A683 PolarHBondContact O-N 3.48Å; L680-A683 VanDerWaalsContact O-N 3.16Å; F681-A683 VanDerWaalsContact C-N 3.3Å; F681-A683 PolarHBondContact O-N 2.64Å; A683-R692 PolarHBondContact O-NE 2.98Å; A683-R692 PolarHBondContact O-NH2 2.9Å; A683-L697 HydrophobicContact CB-CD1 4.11Å; A683-A700 HydrophobicContact CB-CB 3.98Å
684	L	77.5	Confident	70.9	Confident	69 Å²	69	66.6 Å²	66.6	36%	0.361	39%	0.388	S	S	.	.	H	α-helix	trans	-87.8	-26.3	177.2	-67.2	171.1	0	0	0	112.9	F631 L680 F681 Q686	F631-L684 HydrophobicContact CE2-CD1 3.66Å; F631-L684 HydrophobicContact CZ-CD1 4.24Å; L680-L684 HydrophobicContact CD1-CD1 3.99Å; L680-L684 HydrophobicContact CD1-CG 4.28Å; L680-L684 HydrophobicContact CG-CD1 3.88Å; L680-L684 VanDerWaalsContact O-CG 3.3Å; L680-L684 WeakPolarHBondContact O-CG 3.21Å; L680-L684 PolarHBondContact O-N 2.79Å; F681-L684 PolarHBondContact O-N 3.03Å; L684-Q686 PolarHBondContact O-N 2.78Å
685	S	73.3	Confident	69.8	Low	64 Å²	64	68.7 Å²	68.7	45%	0.448	40%	0.4	S	S	.	.			trans	-83.6	8.3	-171	-59.7	0	0	0	0	116.4	F681	F681-S685 WeakPolarHBondContact CD2-OG 3.25Å; F681-S685 WeakPolarHBondContact CE2-OG 3.34Å; F681-S685 WeakPolarHBondContact CZ-OG 3.44Å; F681-S685 WeakPolarHBondContact O-CB 3.3Å; F681-S685 PolarHBondContact O-N 2.87Å; F681-S685 PolarHBondContact O-OG 3.08Å
686	Q	63.3	Low	69	Low	58 Å²	58	71.7 Å²	71.7	27%	0.271	41%	0.405	S	S	.	.	S	Bend	trans	-79.8	138.2	-178.4	-72.4	-176.7	1.2	0	0	112.6	L684	L684-Q686 PolarHBondContact O-N 2.78Å
687	P	56.5	Low	68.4	Low	97 Å²	97	72.4 Å²	72.4	63%	0.63	41%	0.407	S	S	*	.			trans	-67.1	147.4	-178.3	25.9	-32.3	0	0	0	112.5	G689	P687-G689 PolarHBondContact O-N 2.86Å
688	A	45.2	Very low	67.9	Low	117 Å²	117	72.7 Å²	72.7	97%	0.967	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	19.4	-170.4	0	0	0	0	0	117.1
689	G	44.5	Very low	67.3	Low	76 Å²	76	71.1 Å²	71.1	78%	0.784	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120	-18.6	-177.8	0	0	0	0	0	115.8	P687	P687-G689 PolarHBondContact O-N 2.86Å
690	E	47.5	Very low	66.9	Low	143 Å²	143	68.4 Å²	68.4	67%	0.668	39%	0.392	S	S	*	.	S	Bend	trans	-91.4	134.3	172.8	-72.9	-176.3	163.8	0	0	109.2	R692	E690-R692 PolarHBondContact O-N 2.98Å
691	K	47.1	Very low	66.6	Low	208 Å²	208	69.9 Å²	69.9	90%	0.904	40%	0.397	S	S	*	.			trans	-54	106.1	170.6	-83.9	-174	176.3	-175.3	0	107.4	S693	K691-S693 PolarHBondContact O-N 2.74Å
692	R	52.8	Low	66.5	Low	127 Å²	127	68.9 Å²	68.9	48%	0.479	39%	0.393	S	S	.	.			trans	-47.5	111.2	177.8	-164.8	178.9	-164	175.4	5.5	107.5	A683 E690 S694	A683-R692 PolarHBondContact O-NE 2.98Å; A683-R692 PolarHBondContact O-NH2 2.9Å; E690-R692 PolarHBondContact O-N 2.98Å; R692-S694 PolarHBondContact O-N 2.98Å
693	S	56.5	Low	66	Low	42 Å²	42	68.5 Å²	68.5	29%	0.294	39%	0.389	S	S	.	.			trans	-65	107.2	-178	58.4	0	0	0	0	107.8	K691 L695 K696	K691-S693 PolarHBondContact O-N 2.74Å; S693-L695 PolarHBondContact O-N 3.48Å; S693-L695 VanDerWaalsContact O-N 3.13Å; S693-K696 PolarHBondContact O-N 3.22Å; S693-K696 WeakPolarHBondContact OG-CB 3.13Å; S693-K696 WeakPolarHBondContact OG-CD 3.23Å; S693-K696 WeakPolarHBondContact OG-CG 3.26Å
694	S	63.7	Low	66.2	Low	57 Å²	57	72.6 Å²	72.6	40%	0.399	41%	0.407	S	S	.	.	H	α-helix	trans	-47.9	-40.5	-179.3	46.9	0	0	0	0	111.5	R692 K696 L697 L698	R692-S694 PolarHBondContact O-N 2.98Å; S694-K696 PolarHBondContact O-N 3.35Å; S694-L697 PolarHBondContact O-N 2.84Å; S694-L698 WeakPolarHBondContact O-CG 3.42Å; S694-L698 PolarHBondContact O-N 3.33Å
695	L	66.4	Low	66.7	Low	66 Å²	66	69.4 Å²	69.4	35%	0.346	39%	0.39	S	S	.	.	H	α-helix	trans	-58.9	-39.1	177.8	-157.4	96.9	0	0	0	114.3	S693 L698 S699	S693-L695 PolarHBondContact O-N 3.48Å; S693-L695 VanDerWaalsContact O-N 3.13Å; L695-L698 PolarHBondContact O-N 2.95Å; L695-S699 WeakPolarHBondContact O-CB 2.91Å; L695-S699 PolarHBondContact O-N 3.2Å; L695-S699 PolarHBondContact O-OG 3.34Å
696	K	70.7	Confident	67.2	Low	123 Å²	123	69.8 Å²	69.8	54%	0.535	39%	0.387	S	S	.	.	H	α-helix	trans	-69.6	-37.6	178.9	-72.7	-175.7	-170.7	175.7	0	111.7	S693 S694 S699 A700	S693-K696 PolarHBondContact O-N 3.22Å; S693-K696 WeakPolarHBondContact OG-CB 3.13Å; S693-K696 WeakPolarHBondContact OG-CD 3.23Å; S693-K696 WeakPolarHBondContact OG-CG 3.26Å; S694-K696 PolarHBondContact O-N 3.35Å; K696-S699 PolarHBondContact O-N 3.38Å; K696-A700 PolarHBondContact O-N 2.92Å; K696-A700 VanDerWaalsContact O-N 3.09Å
697	L	75	Confident	68.4	Low	40 Å²	40	70.9 Å²	70.9	21%	0.209	39%	0.389	C	S	.	.	H	α-helix	trans	-68	-41	174.7	-175.5	65.1	0	0	0	110.8	A683 S694 S699 A700 K701	A683-L697 HydrophobicContact CB-CD1 4.11Å; S694-L697 PolarHBondContact O-N 2.84Å; L697-S699 VanDerWaalsContact C-N 3.34Å; L697-A700 WeakPolarHBondContact O-CB 3.15Å; L697-A700 PolarHBondContact O-N 2.82Å; L697-K701 WeakPolarHBondContact O-CG 3.35Å; L697-K701 PolarHBondContact O-N 3.23Å
698	L	76.3	Confident	70	Confident	6 Å²	6	66.3 Å²	66.3	3%	0.031	36%	0.359	C	S	.	.	H	α-helix	trans	-62.4	-40	173.6	-72.4	168.4	0	0	0	112.1	L228 L232 S694 L695 A700 K701 L702 L705	L228-L698 HydrophobicContact CB-CD1 4.49Å; L228-L698 VanDerWaalsContact O-CD1 3.3Å; L228-L698 WeakPolarHBondContact O-CD1 3.09Å; L232-L698 HydrophobicContact CD2-CD2 4.06Å; S694-L698 WeakPolarHBondContact O-CG 3.42Å; S694-L698 PolarHBondContact O-N 3.33Å; L695-L698 PolarHBondContact O-N 2.95Å; L698-A700 VanDerWaalsContact C-N 3.27Å; L698-A700 PolarHBondContact O-N 2.84Å; L698-K701 CarbonylContact O-C 3.57Å; L698-K701 PolarHBondContact O-N 2.97Å; L698-K701 VanDerWaalsContact O-N 3.15Å; L698-L702 WeakPolarHBondContact O-CB 3.48Å; L698-L702 PolarHBondContact O-N 2.94Å; L698-L705 HydrophobicContact CB-CD2 4.25Å
699	S	77.2	Confident	72.2	Confident	11 Å²	11	63 Å²	63	8%	0.077	33%	0.325	C	S	.	.	H	α-helix	trans	-69.2	-25	177	-53.3	0	0	0	0	112.9	L695 K696 L697 L702 D706	L695-S699 WeakPolarHBondContact O-CB 2.91Å; L695-S699 PolarHBondContact O-N 3.2Å; L695-S699 PolarHBondContact O-OG 3.34Å; K696-S699 PolarHBondContact O-N 3.38Å; L697-S699 VanDerWaalsContact C-N 3.34Å; S699-L702 CarbonylContact O-C 3.47Å; S699-D706 PolarHBondContact OG-OD1 2.85Å
700	A	77.8	Confident	74.3	Confident	8 Å²	8	61.6 Å²	61.6	7%	0.066	30%	0.298	C	S	.	.	H	α-helix	trans	-74.7	-37.5	169.8	0	0	0	0	0	112	K679 A683 K696 L697 L698	K679-A700 HydrophobicContact CB-CB 4.17Å; A683-A700 HydrophobicContact CB-CB 3.98Å; K696-A700 PolarHBondContact O-N 2.92Å; K696-A700 VanDerWaalsContact O-N 3.09Å; L697-A700 WeakPolarHBondContact O-CB 3.15Å; L697-A700 PolarHBondContact O-N 2.82Å; L698-A700 VanDerWaalsContact C-N 3.27Å; L698-A700 PolarHBondContact O-N 2.84Å
701	K	78.1	Confident	76.4	Confident	59 Å²	59	54.9 Å²	54.9	26%	0.257	27%	0.266	S	S	.	.	H	α-helix	trans	-71.3	-37	173.7	-67.3	176	166	-176.1	0	111.7	E236 A505 W556 L697 L698 P703	E236-K701 IonicContact OE2-NZ 3.13Å; E236-K701 PolarHBondContact OE2-NZ 3.02Å; A505-K701 HydrophobicContact CB-CB 4.12Å; A505-K701 HydrophobicContact CB-CD 4.09Å; W556-K701 HydrophobicContact CH2-CB 3.93Å; W556-K701 WeakPolarHBondContact CH2-O 3.19Å; W556-K701 HydrophobicContact CZ2-CB 3.93Å; W556-K701 HydrophobicContact CZ2-CG 4.04Å; L697-K701 WeakPolarHBondContact O-CG 3.35Å; L697-K701 PolarHBondContact O-N 3.23Å; L698-K701 CarbonylContact O-C 3.57Å; L698-K701 PolarHBondContact O-N 2.97Å; L698-K701 VanDerWaalsContact O-N 3.15Å; K701-P703 VanDerWaalsContact O-CD 3.31Å; K701-P703 WeakPolarHBondContact O-CD 3.23Å
702	L	82.8	Confident	78.5	Confident	7 Å²	7	45.1 Å²	45.1	4%	0.037	22%	0.224	C	C	.	.	S	Bend	trans	-117.2	86.8	-177.7	-61.2	176.4	0	0	0	109	I500 V501 A504 L698 S699 E704 L705	I500-L702 HydrophobicContact CD1-CB 4.41Å; I500-L702 HydrophobicContact CD1-CD1 4.36Å; V501-L702 WeakPolarHBondContact O-CD2 3.49Å; A504-L702 HydrophobicContact CB-CD2 3.92Å; L698-L702 WeakPolarHBondContact O-CB 3.48Å; L698-L702 PolarHBondContact O-N 2.94Å; S699-L702 CarbonylContact O-C 3.47Å; L702-E704 PolarHBondContact O-N 2.9Å; L702-L705 HydrophobicContact CB-CB 3.91Å; L702-L705 WeakPolarHBondContact O-CB 3.49Å; L702-L705 PolarHBondContact O-N 3.27Å
703	P	75.9	Confident	80.3	Confident	54 Å²	54	39.9 Å²	39.9	35%	0.351	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-25.9	-171.1	-25.5	34.2	0	0	0	114.5	K679 K701	K679-P703 PolarHBondContact NZ-O 3.15Å; K701-P703 VanDerWaalsContact O-CD 3.31Å; K701-P703 WeakPolarHBondContact O-CD 3.23Å
704	E	82.3	Confident	81.9	Confident	93 Å²	93	38.5 Å²	38.5	44%	0.435	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-1.9	-178.6	-63.5	176.2	-171.1	0	0	113	R672 L702 F708	R672-E704 IonicContact CZ-OE1 3.49Å; R672-E704 IonicContact NH2-OE1 2.75Å; R672-E704 PolarHBondContact NH2-OE1 3.32Å; L702-E704 PolarHBondContact O-N 2.9Å; E704-F708 WeakPolarHBondContact O-CB 3.44Å; E704-F708 PolarHBondContact O-N 2.8Å
705	L	87.3	Confident	83.1	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-62	-48.6	-174.7	-178.6	62.1	0	0	0	113.2	L228 I500 L698 L702 W707 F708 L709	L228-L705 HydrophobicContact CD1-CD1 3.87Å; L228-L705 HydrophobicContact CD2-CD1 4.48Å; I500-L705 HydrophobicContact CD1-CB 3.88Å; I500-L705 HydrophobicContact CD1-CD1 3.54Å; I500-L705 HydrophobicContact CD1-CG 4.32Å; L698-L705 HydrophobicContact CB-CD2 4.25Å; L702-L705 HydrophobicContact CB-CB 3.91Å; L702-L705 WeakPolarHBondContact O-CB 3.49Å; L702-L705 PolarHBondContact O-N 3.27Å; L705-W707 VanDerWaalsContact C-N 3.3Å; L705-W707 PolarHBondContact O-N 3.47Å; L705-F708 PolarHBondContact O-N 2.9Å; L705-F708 VanDerWaalsContact O-N 3.16Å; L705-L709 HydrophobicContact CD1-CD1 4.18Å; L705-L709 HydrophobicContact CD1-CD2 4.27Å; L705-L709 HydrophobicContact CD1-CG 3.99Å; L705-L709 HydrophobicContact CG-CD1 4.04Å; L705-L709 HydrophobicContact CG-CG 4.27Å; L705-L709 VanDerWaalsContact O-CG 3.3Å; L705-L709 WeakPolarHBondContact O-CG 3.5Å; L705-L709 PolarHBondContact O-N 3.48Å
706	D	85.1	Confident	84.1	Confident	72 Å²	72	34.2 Å²	34.2	39%	0.385	17%	0.173	S	C	.	.	H	α-helix	trans	-57	-46.4	-177.7	-61.2	-46	0	0	0	111.6	K679 S699 L709 Q710	K679-D706 IonicContact NZ-OD2 2.79Å; S699-D706 PolarHBondContact OG-OD1 2.85Å; D706-L709 PolarHBondContact O-N 3.29Å; D706-Q710 PolarHBondContact O-N 3.22Å
707	W	87.3	Confident	84.8	Confident	82 Å²	82	29.1 Å²	29.1	31%	0.311	15%	0.151	S	C	.	.	H	α-helix	trans	-65	-46.2	176.9	173.4	-103.7	0	0	0	111.7	C498 L705 L709 Q710 H711 L731 Q733	C498-W707 VanDerWaalsContact SG-CD1 3.57Å; L705-W707 VanDerWaalsContact C-N 3.3Å; L705-W707 PolarHBondContact O-N 3.47Å; W707-L709 VanDerWaalsContact C-N 3.32Å; W707-L709 PolarHBondContact O-N 3.27Å; W707-Q710 PolarHBondContact O-N 3.04Å; W707-H711 PolarHBondContact O-N 2.95Å; W707-L731 HydrophobicContact CH2-CB 3.68Å; W707-L731 HydrophobicContact CH2-CD1 3.36Å; W707-L731 HydrophobicContact CH2-CD2 4.34Å; W707-L731 HydrophobicContact CH2-CG 3.96Å; W707-L731 HydrophobicContact CZ2-CD1 3.78Å; W707-L731 HydrophobicContact CZ3-CB 3.71Å; W707-L731 HydrophobicContact CZ3-CD1 4.26Å; W707-L731 HydrophobicContact CZ3-CG 4.42Å; W707-Q733 HydrophobicContact CH2-CG 4.16Å; W707-Q733 HydrophobicContact CZ3-CG 3.73Å; W707-Q733 VanDerWaalsContact CZ3-NE2 3.31Å
708	F	91.4	Very high	85.1	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.6	-41.5	178.9	-178.9	-89.7	0	0	0	111.6	L224 L480 C498 I500 E704 L705 Q710 H711 F712	L224-F708 HydrophobicContact CD2-CD1 4.39Å; L224-F708 HydrophobicContact CD2-CE1 3.92Å; L480-F708 HydrophobicContact CB-CE1 4.5Å; L480-F708 HydrophobicContact CB-CZ 3.98Å; L480-F708 HydrophobicContact CD2-CE1 3.86Å; L480-F708 HydrophobicContact CD2-CZ 3.81Å; L480-F708 HydrophobicContact CG-CE1 4.33Å; L480-F708 HydrophobicContact CG-CZ 3.79Å; C498-F708 HydrophobicContact CB-CD2 4.31Å; I500-F708 HydrophobicContact CB-CB 4.23Å; I500-F708 HydrophobicContact CB-CD1 4.12Å; I500-F708 HydrophobicContact CB-CD2 3.81Å; I500-F708 HydrophobicContact CB-CE2 4.23Å; I500-F708 HydrophobicContact CB-CG 3.76Å; I500-F708 HydrophobicContact CD1-CB 4.23Å; I500-F708 HydrophobicContact CD1-CG 4.41Å; I500-F708 HydrophobicContact CG2-CD1 3.5Å; I500-F708 HydrophobicContact CG2-CD2 3.76Å; I500-F708 HydrophobicContact CG2-CE1 3.51Å; I500-F708 HydrophobicContact CG2-CE2 3.77Å; I500-F708 HydrophobicContact CG2-CG 3.64Å; I500-F708 HydrophobicContact CG2-CZ 3.65Å; E704-F708 WeakPolarHBondContact O-CB 3.44Å; E704-F708 PolarHBondContact O-N 2.8Å; L705-F708 PolarHBondContact O-N 2.9Å; L705-F708 VanDerWaalsContact O-N 3.16Å; F708-Q710 VanDerWaalsContact C-N 3.34Å; F708-Q710 PolarHBondContact O-N 3.42Å; F708-H711 PolarHBondContact O-N 3.11Å; F708-F712 HydrophobicContact CD1-CB 4.17Å; F708-F712 HydrophobicContact CE1-CB 3.78Å; F708-F712 HydrophobicContact CE1-CD2 4.21Å; F708-F712 AromaticContact CE1-CG 3.97Å; F708-F712 HydrophobicContact CE1-CG 3.97Å; F708-F712 HydrophobicContact CZ-CB 4.16Å; F708-F712 HydrophobicContact CZ-CD2 4.06Å; F708-F712 HydrophobicContact CZ-CG 4.26Å; F708-F712 WeakPolarHBondContact O-CA 3.4Å; F708-F712 WeakPolarHBondContact O-CB 3.35Å; F708-F712 PolarHBondContact O-N 2.66Å
709	L	89.7	Confident	85.4	Confident	48 Å²	48	33.6 Å²	33.6	25%	0.251	18%	0.175	S	C	.	.	H	α-helix	trans	-61.5	-41.4	177.9	-70.2	174.3	0	0	0	111.9	L224 L228 L705 D706 W707 A713	L224-L709 HydrophobicContact CD2-CD2 3.66Å; L224-L709 HydrophobicContact CG-CD2 4.27Å; L228-L709 HydrophobicContact CD1-CD2 4.2Å; L705-L709 HydrophobicContact CD1-CD1 4.18Å; L705-L709 HydrophobicContact CD1-CD2 4.27Å; L705-L709 HydrophobicContact CD1-CG 3.99Å; L705-L709 HydrophobicContact CG-CD1 4.04Å; L705-L709 HydrophobicContact CG-CG 4.27Å; L705-L709 VanDerWaalsContact O-CG 3.3Å; L705-L709 WeakPolarHBondContact O-CG 3.5Å; L705-L709 PolarHBondContact O-N 3.48Å; D706-L709 PolarHBondContact O-N 3.29Å; W707-L709 VanDerWaalsContact C-N 3.32Å; W707-L709 PolarHBondContact O-N 3.27Å; L709-A713 WeakPolarHBondContact O-CB 3.42Å; L709-A713 PolarHBondContact O-N 2.65Å
710	Q	89.1	Confident	86.1	Confident	47 Å²	47	36 Å²	36	22%	0.22	19%	0.185	C	C	.	.	H	α-helix	trans	-64.9	-44.5	176.6	-70.7	171.6	-21.8	0	0	112.1	D706 W707 F708 L731	D706-Q710 PolarHBondContact O-N 3.22Å; W707-Q710 PolarHBondContact O-N 3.04Å; F708-Q710 VanDerWaalsContact C-N 3.34Å; F708-Q710 PolarHBondContact O-N 3.42Å; Q710-L731 PolarHBondContact OE1-O 3.17Å; Q710-L731 VanDerWaalsContact OE1-O 3.05Å
711	H	92.2	Very high	86.7	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-66.7	-44	177.2	-171.1	-73.6	0	0	0	111.4	S482 C498 W707 F708 A713 I714 S715 L731	S482-H711 WeakPolarHBondContact CB-ND1 3.49Å; S482-H711 PolarHBondContact O-CE1 2.85Å; S482-H711 PolarHBondContact OG-CE1 2.79Å; S482-H711 PolarHBondContact OG-ND1 2.84Å; C498-H711 HydrophobicContact CB-CB 4.29Å; W707-H711 PolarHBondContact O-N 2.95Å; F708-H711 PolarHBondContact O-N 3.11Å; H711-A713 PolarHBondContact O-N 3.28Å; H711-I714 PolarHBondContact O-N 3.3Å; H711-S715 PolarHBondContact O-N 3.08Å; H711-S715 VanDerWaalsContact O-N 3.13Å; H711-L731 HydrophobicContact CB-CD2 3.97Å
712	F	91.6	Very high	87.4	Confident	4 Å²	4	34.2 Å²	34.2	2%	0.018	18%	0.179	C	C	.	.	H	α-helix	trans	-62.1	-43.5	-179.4	-174.4	-114.3	0	0	0	111.8	M219 P221 L224 L480 S482 F708 I714 S715 S716	M219-F712 HydrophobicContact CB-CZ 3.93Å; M219-F712 WeakPolarHBondContact O-CZ 3.34Å; P221-F712 HydrophobicContact CG-CD1 4.39Å; L224-F712 HydrophobicContact CB-CE1 4.06Å; L224-F712 HydrophobicContact CD2-CD1 3.52Å; L224-F712 HydrophobicContact CD2-CE1 3.78Å; L224-F712 HydrophobicContact CD2-CG 4.22Å; L480-F712 HydrophobicContact CD2-CD2 4.28Å; L480-F712 HydrophobicContact CD2-CE1 4.48Å; L480-F712 HydrophobicContact CD2-CE2 3.89Å; L480-F712 HydrophobicContact CD2-CZ 3.99Å; L480-F712 HydrophobicContact CG-CE2 4.42Å; S482-F712 WeakPolarHBondContact OG-CA 3.49Å; F708-F712 HydrophobicContact CD1-CB 4.17Å; F708-F712 HydrophobicContact CE1-CB 3.78Å; F708-F712 HydrophobicContact CE1-CD2 4.21Å; F708-F712 AromaticContact CE1-CG 3.97Å; F708-F712 HydrophobicContact CE1-CG 3.97Å; F708-F712 HydrophobicContact CZ-CB 4.16Å; F708-F712 HydrophobicContact CZ-CD2 4.06Å; F708-F712 HydrophobicContact CZ-CG 4.26Å; F708-F712 WeakPolarHBondContact O-CA 3.4Å; F708-F712 WeakPolarHBondContact O-CB 3.35Å; F708-F712 PolarHBondContact O-N 2.66Å; F712-I714 PolarHBondContact O-N 3.37Å; F712-I714 VanDerWaalsContact O-N 3.16Å; F712-S715 WeakPolarHBondContact CA-OG 3.34Å; F712-S715 PolarHBondContact O-N 2.94Å; F712-S715 VanDerWaalsContact O-N 3.08Å; F712-S715 PolarHBondContact O-OG 3.49Å; F712-S716 WeakPolarHBondContact O-CB 3.07Å; F712-S716 PolarHBondContact O-N 2.88Å; F712-S716 PolarHBondContact O-OG 2.75Å
713	A	89.8	Confident	87.7	Confident	17 Å²	17	35.2 Å²	35.2	14%	0.14	18%	0.184	C	C	.	.	H	α-helix	trans	-55.4	-33.1	177.6	0	0	0	0	0	113.9	P221 L709 H711 S716 I717	P221-A713 HydrophobicContact CG-CB 4.26Å; L709-A713 WeakPolarHBondContact O-CB 3.42Å; L709-A713 PolarHBondContact O-N 2.65Å; H711-A713 PolarHBondContact O-N 3.28Å; A713-S716 PolarHBondContact O-OG 2.89Å; A713-I717 WeakPolarHBondContact O-CD1 3.45Å; A713-I717 WeakPolarHBondContact O-CG1 3.09Å
714	I	90.4	Very high	88.5	Confident	12 Å²	12	37.4 Å²	37.4	6%	0.062	19%	0.185	C	C	.	.	H	α-helix	trans	-78.4	-49.3	175.2	-60.1	155.9	0	0	0	109.7	I484 H711 F712 S716 I717 V722 L730 L731 L953	I484-I714 HydrophobicContact CD1-CB 3.86Å; I484-I714 HydrophobicContact CD1-CD1 4.03Å; I484-I714 HydrophobicContact CD1-CG2 3.94Å; I484-I714 HydrophobicContact CG1-CB 4.33Å; I484-I714 HydrophobicContact CG1-CG2 4.16Å; I484-I714 HydrophobicContact CG2-CG2 4.28Å; H711-I714 PolarHBondContact O-N 3.3Å; F712-I714 PolarHBondContact O-N 3.37Å; F712-I714 VanDerWaalsContact O-N 3.16Å; I714-S716 VanDerWaalsContact C-N 3.29Å; I714-S716 PolarHBondContact O-N 2.93Å; I714-I717 PolarHBondContact O-N 2.93Å; I714-V722 HydrophobicContact CG2-CG1 4.37Å; I714-L730 HydrophobicContact CD1-CB 3.7Å; I714-L731 HydrophobicContact CD1-CD2 3.7Å; I714-L731 HydrophobicContact CD1-CG 4.33Å; I714-L953 HydrophobicContact CG1-CD2 4.01Å
715	S	89.4	Confident	88.8	Confident	12 Å²	12	37.1 Å²	37.1	8%	0.084	19%	0.19	C	C	.	.	H	α-helix	trans	-60.7	-34	-176.6	70.9	0	0	0	0	114.3	S482 Q483 H711 F712 I717	S482-S715 WeakPolarHBondContact OG-CB 3.31Å; S482-S715 PolarHBondContact OG-OG 2.99Å; Q483-S715 WeakPolarHBondContact O-CB 3.27Å; H711-S715 PolarHBondContact O-N 3.08Å; H711-S715 VanDerWaalsContact O-N 3.13Å; F712-S715 WeakPolarHBondContact CA-OG 3.34Å; F712-S715 PolarHBondContact O-N 2.94Å; F712-S715 VanDerWaalsContact O-N 3.08Å; F712-S715 PolarHBondContact O-OG 3.49Å; S715-I717 VanDerWaalsContact C-N 3.31Å; S715-I717 PolarHBondContact O-N 2.72Å
716	S	87.8	Confident	89	Confident	21 Å²	21	38.8 Å²	38.8	15%	0.147	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-19.6	-174.9	59.6	0	0	0	0	112.8	P221 F712 A713 I714	P221-S716 VanDerWaalsContact CD-OG 3.32Å; P221-S716 WeakPolarHBondContact CD-OG 3.37Å; P221-S716 WeakPolarHBondContact CG-OG 3.43Å; F712-S716 WeakPolarHBondContact O-CB 3.07Å; F712-S716 PolarHBondContact O-N 2.88Å; F712-S716 PolarHBondContact O-OG 2.75Å; A713-S716 PolarHBondContact O-OG 2.89Å; I714-S716 VanDerWaalsContact C-N 3.29Å; I714-S716 PolarHBondContact O-N 2.93Å
717	I	85.4	Confident	89.2	Confident	16 Å²	16	35.6 Å²	35.6	8%	0.082	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-37.8	-172.9	-71.5	179.9	0	0	0	111.8	A713 I714 S715 L953 P956	A713-I717 WeakPolarHBondContact O-CD1 3.45Å; A713-I717 WeakPolarHBondContact O-CG1 3.09Å; I714-I717 PolarHBondContact O-N 2.93Å; S715-I717 VanDerWaalsContact C-N 3.31Å; S715-I717 PolarHBondContact O-N 2.72Å; I717-L953 HydrophobicContact CD1-CB 3.81Å; I717-L953 HydrophobicContact CD1-CD2 3.51Å; I717-L953 HydrophobicContact CD1-CG 4.17Å; I717-L953 WeakPolarHBondContact CG2-O 3.23Å; I717-P956 HydrophobicContact CG2-CG 3.78Å
718	S	80.2	Confident	89.4	Confident	41 Å²	41	34.3 Å²	34.3	29%	0.287	18%	0.183	S	C	.	.			trans	-166.4	156.2	-179	-173.5	0	0	0	0	112.5	E720 P956	S718-E720 VanDerWaalsContact C-N 3.34Å; S718-E720 WeakPolarHBondContact OG-CG 3.17Å; S718-E720 PolarHBondContact OG-N 3.27Å; S718-E720 VanDerWaalsContact OG-N 3.07Å; S718-P956 VanDerWaalsContact OG-CB 3.27Å; S718-P956 WeakPolarHBondContact OG-CB 3.39Å
719	Q	83.6	Confident	89.3	Confident	99 Å²	99	36.4 Å²	36.4	46%	0.463	20%	0.195	S	C	.	.			trans	-92.1	9.5	169.4	-62.2	-61.4	-37.4	0	0	112.4	L485	L485-Q719 WeakPolarHBondContact CD1-O 3.19Å
720	E	90.1	Very high	89.2	Confident	62 Å²	62	34.1 Å²	34.1	29%	0.29	18%	0.183	S	C	.	.	S	Bend	trans	-71.2	137.4	174	-69.4	-64.4	161	0	0	111.1	S718 P956 K962	S718-E720 VanDerWaalsContact C-N 3.34Å; S718-E720 WeakPolarHBondContact OG-CG 3.17Å; S718-E720 PolarHBondContact OG-N 3.27Å; S718-E720 VanDerWaalsContact OG-N 3.07Å; E720-P956 HydrophobicContact CB-CB 4.32Å; E720-P956 HydrophobicContact CG-CB 4.3Å; E720-K962 IonicContact OE1-NZ 2.71Å; E720-K962 WeakPolarHBondContact OE2-CD 3.42Å; E720-K962 IonicContact OE2-NZ 3.86Å; E720-K962 PolarHBondContact OE2-NZ 3.16Å
721	P	90.9	Very high	89.1	Confident	21 Å²	21	32.1 Å²	32.1	14%	0.136	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-70.2	141.7	-174.3	28.2	-34.1	0	0	0	112.4	L485 K487	L485-P721 HydrophobicContact CB-CB 4.22Å; L485-P721 CarbonylContact O-C 3.46Å; L485-P721 VanDerWaalsContact O-CA 3.28Å; L485-P721 WeakPolarHBondContact O-CA 3.33Å; K487-P721 HydrophobicContact CB-CB 4.31Å
722	V	92.2	Very high	88.7	Confident	8 Å²	8	37.3 Å²	37.3	5%	0.048	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	150.3	173.8	-55.6	0	0	0	0	110.9	I484 L485 V486 K487 I714 L727 L730 Y952	I484-V722 HydrophobicContact CG2-CG1 4.42Å; I484-V722 HydrophobicContact CG2-CG2 3.57Å; L485-V722 PolarHBondContact O-N 3.03Å; V486-V722 CarbonylContact C-O 3.57Å; V486-V722 WeakPolarHBondContact CA-O 3.45Å; V486-V722 HydrophobicContact CG2-CG2 4.09Å; K487-V722 PolarHBondContact N-O 2.96Å; I714-V722 HydrophobicContact CG2-CG1 4.37Å; V722-L727 HydrophobicContact CG2-CD1 3.98Å; V722-L730 HydrophobicContact CB-CD1 3.82Å; V722-L730 HydrophobicContact CG1-CD1 3.84Å; V722-L730 HydrophobicContact CG2-CD1 4.17Å; V722-Y952 HydrophobicContact CB-CD1 4.41Å; V722-Y952 HydrophobicContact CB-CE1 4.07Å; V722-Y952 HydrophobicContact CG1-CD1 3.86Å; V722-Y952 HydrophobicContact CG1-CE1 3.99Å
723	M	90.8	Very high	87.8	Confident	29 Å²	29	41.5 Å²	41.5	14%	0.143	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	136.9	178.6	-72.3	-59.1	-171.5	0	0	111.6	K487 T725 H726 L727 Y959	K487-M723 HydrophobicContact CB-SD 3.84Å; K487-M723 HydrophobicContact CD-CE 3.8Å; K487-M723 HydrophobicContact CD-SD 4.09Å; K487-M723 HydrophobicContact CG-CE 4.33Å; K487-M723 HydrophobicContact CG-SD 4.02Å; M723-T725 PolarHBondContact O-N 3.46Å; M723-H726 HydrophobicContact CB-CB 4.46Å; M723-H726 PolarHBondContact O-N 2.89Å; M723-L727 PolarHBondContact O-N 2.93Å; M723-L727 VanDerWaalsContact O-N 3.17Å; M723-Y959 HydrophobicContact CE-CD1 3.37Å; M723-Y959 HydrophobicContact CE-CE1 3.11Å; M723-Y959 HydrophobicContact CE-CG 4.46Å; M723-Y959 HydrophobicContact CG-CD1 4.01Å; M723-Y959 HydrophobicContact CG-CD2 4.42Å; M723-Y959 HydrophobicContact CG-CE1 3.93Å; M723-Y959 HydrophobicContact CG-CE2 4.32Å; M723-Y959 HydrophobicContact CG-CG 4.27Å; M723-Y959 HydrophobicContact SD-CE1 4.31Å
724	R	91	Very high	86.1	Confident	100 Å²	100	45.3 Å²	45.3	38%	0.377	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-38.4	179.6	-174.9	67.7	-172.7	172.9	2.5	112.7	V486 K487 E488 E496 H726 L727	V486-R724 HydrophobicContact CG1-CB 3.79Å; V486-R724 HydrophobicContact CG1-CG 4.33Å; K487-R724 PolarHBondContact O-N 3.28Å; E488-R724 WeakPolarHBondContact OE2-CG 3.33Å; E496-R724 IonicContact OE2-CZ 2.87Å; E496-R724 IonicContact OE2-NH1 3.2Å; E496-R724 PolarHBondContact OE2-NH1 2.84Å; R724-H726 PolarHBondContact O-N 3.47Å; R724-L727 PolarHBondContact O-N 2.9Å
725	T	89.3	Confident	84	Confident	86 Å²	86	50.7 Å²	50.7	53%	0.528	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-25	177.1	52.9	0	0	0	0	113.5	M723	M723-T725 PolarHBondContact O-N 3.46Å
726	H	91.1	Very high	81.7	Confident	37 Å²	37	57.8 Å²	57.8	17%	0.171	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-18.9	-179.2	-58.1	162.2	0	0	0	112.6	M723 R724 V729 L730 L948 Y952 Y959	M723-H726 HydrophobicContact CB-CB 4.46Å; M723-H726 PolarHBondContact O-N 2.89Å; R724-H726 PolarHBondContact O-N 3.47Å; H726-V729 WeakPolarHBondContact O-CB 3.24Å; H726-V729 PolarHBondContact O-N 2.97Å; H726-V729 VanDerWaalsContact O-N 3.12Å; H726-L730 WeakPolarHBondContact O-CG 3.14Å; H726-L730 PolarHBondContact O-N 3.34Å; H726-L948 HydrophobicContact CB-CD2 4.1Å; H726-Y952 HydrophobicContact CB-CE2 4.04Å; H726-Y952 AromaticContact ND1-CE2 3.43Å; H726-Y952 WeakPolarHBondContact ND1-CE2 3.35Å; H726-Y952 AromaticContact ND1-CZ 3.58Å; H726-Y952 PolarHBondContact ND1-OH 3.43Å; H726-Y959 AromaticContact CE1-CE2 3.75Å
727	L	90.8	Very high	79.2	Confident	5 Å²	5	62.9 Å²	62.9	3%	0.026	34%	0.335	C	S	.	.	H	α-helix	trans	-54.3	-43	-175.3	-173.7	69.3	0	0	0	114.3	I484 V486 E496 V722 M723 R724 V729 L730 L731	I484-L727 HydrophobicContact CD1-CD1 4.38Å; I484-L727 HydrophobicContact CG2-CD1 4.31Å; V486-L727 HydrophobicContact CG1-CD2 4.49Å; V486-L727 HydrophobicContact CG2-CD1 4.35Å; V486-L727 HydrophobicContact CG2-CD2 3.97Å; E496-L727 HydrophobicContact CG-CD2 4.35Å; V722-L727 HydrophobicContact CG2-CD1 3.98Å; M723-L727 PolarHBondContact O-N 2.93Å; M723-L727 VanDerWaalsContact O-N 3.17Å; R724-L727 PolarHBondContact O-N 2.9Å; L727-V729 VanDerWaalsContact C-N 3.33Å; L727-V729 PolarHBondContact O-N 3.23Å; L727-L730 CarbonylContact O-C 3.54Å; L727-L730 WeakPolarHBondContact O-CB 3.48Å; L727-L730 PolarHBondContact O-N 3.4Å; L727-L731 HydrophobicContact CD1-CD1 3.82Å; L727-L731 HydrophobicContact CD1-CG 4.14Å; L727-L731 HydrophobicContact CD2-CD1 4.3Å; L727-L731 HydrophobicContact CG-CD1 3.73Å; L727-L731 HydrophobicContact CG-CG 4.35Å; L727-L731 WeakPolarHBondContact O-CG 3.39Å; L727-L731 PolarHBondContact O-N 3.13Å
728	P	90.4	Very high	77.1	Confident	55 Å²	55	66.4 Å²	66.4	36%	0.357	36%	0.359	S	S	.	.	H	α-helix	trans	-61.4	-40.3	177.9	-24.4	35.6	0	0	0	113.2	L731 Q732 Q733	P728-L731 CarbonylContact O-C 3.56Å; P728-L731 PolarHBondContact O-N 3.43Å; P728-Q732 PolarHBondContact O-N 3.48Å; P728-Q733 PolarHBondContact O-N 2.85Å
729	V	89.1	Confident	74.8	Confident	44 Å²	44	70 Å²	70	27%	0.267	38%	0.38	S	S	.	.	H	α-helix	trans	-64.9	-44	175	172.2	0	0	0	0	110.3	H726 L727 L731 Q732 P945 L948	H726-V729 WeakPolarHBondContact O-CB 3.24Å; H726-V729 PolarHBondContact O-N 2.97Å; H726-V729 VanDerWaalsContact O-N 3.12Å; L727-V729 VanDerWaalsContact C-N 3.33Å; L727-V729 PolarHBondContact O-N 3.23Å; V729-L731 VanDerWaalsContact C-N 3.26Å; V729-L731 PolarHBondContact O-N 3.06Å; V729-Q732 PolarHBondContact O-N 3.39Å; V729-Q732 VanDerWaalsContact O-N 3.1Å; V729-P945 HydrophobicContact CG1-CB 3.78Å; V729-P945 WeakPolarHBondContact CG1-O 3.45Å; V729-L948 HydrophobicContact CB-CD2 4.42Å; V729-L948 HydrophobicContact CG1-CD2 4.09Å
730	L	88	Confident	72.5	Confident	0 Å²	0	74 Å²	74	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-61.7	-35.7	176.2	-65.8	-178.6	0	0	0	111.5	I714 V722 H726 L727 Q732 R949 Y952	I714-L730 HydrophobicContact CD1-CB 3.7Å; V722-L730 HydrophobicContact CB-CD1 3.82Å; V722-L730 HydrophobicContact CG1-CD1 3.84Å; V722-L730 HydrophobicContact CG2-CD1 4.17Å; H726-L730 WeakPolarHBondContact O-CG 3.14Å; H726-L730 PolarHBondContact O-N 3.34Å; L727-L730 CarbonylContact O-C 3.54Å; L727-L730 WeakPolarHBondContact O-CB 3.48Å; L727-L730 PolarHBondContact O-N 3.4Å; L730-Q732 VanDerWaalsContact C-N 3.28Å; L730-Q732 PolarHBondContact O-N 2.75Å; L730-R949 HydrophobicContact CD2-CB 4.21Å; L730-R949 HydrophobicContact CD2-CG 4.25Å; L730-R949 PolarHBondContact O-NH1 2.91Å; L730-Y952 HydrophobicContact CD1-CD1 4.44Å; L730-Y952 HydrophobicContact CD1-CD2 4.1Å; L730-Y952 HydrophobicContact CD1-CE2 4.43Å; L730-Y952 HydrophobicContact CD1-CG 4.08Å; L730-Y952 HydrophobicContact CD2-CD2 3.72Å; L730-Y952 HydrophobicContact CD2-CG 3.99Å; L730-Y952 HydrophobicContact CG-CD2 4.36Å
731	L	87.8	Confident	70	Confident	4 Å²	4	81 Å²	81	2%	0.021	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	10.4	178.1	-63	171	0	0	0	113.2	I484 W707 Q710 H711 I714 L727 P728 V729 Q733	I484-L731 HydrophobicContact CD1-CD2 4.28Å; W707-L731 HydrophobicContact CH2-CB 3.68Å; W707-L731 HydrophobicContact CH2-CD1 3.36Å; W707-L731 HydrophobicContact CH2-CD2 4.34Å; W707-L731 HydrophobicContact CH2-CG 3.96Å; W707-L731 HydrophobicContact CZ2-CD1 3.78Å; W707-L731 HydrophobicContact CZ3-CB 3.71Å; W707-L731 HydrophobicContact CZ3-CD1 4.26Å; W707-L731 HydrophobicContact CZ3-CG 4.42Å; Q710-L731 PolarHBondContact OE1-O 3.17Å; Q710-L731 VanDerWaalsContact OE1-O 3.05Å; H711-L731 HydrophobicContact CB-CD2 3.97Å; I714-L731 HydrophobicContact CD1-CD2 3.7Å; I714-L731 HydrophobicContact CD1-CG 4.33Å; L727-L731 HydrophobicContact CD1-CD1 3.82Å; L727-L731 HydrophobicContact CD1-CG 4.14Å; L727-L731 HydrophobicContact CD2-CD1 4.3Å; L727-L731 HydrophobicContact CG-CD1 3.73Å; L727-L731 HydrophobicContact CG-CG 4.35Å; L727-L731 WeakPolarHBondContact O-CG 3.39Å; L727-L731 PolarHBondContact O-N 3.13Å; P728-L731 CarbonylContact O-C 3.56Å; P728-L731 PolarHBondContact O-N 3.43Å; V729-L731 VanDerWaalsContact C-N 3.26Å; V729-L731 PolarHBondContact O-N 3.06Å; L731-Q733 HydrophobicContact CB-CG 4.22Å; L731-Q733 PolarHBondContact O-N 3.04Å; L731-Q733 VanDerWaalsContact O-N 3.1Å
732	Q	82	Confident	67.5	Low	110 Å²	110	84.8 Å²	84.8	51%	0.514	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	33.1	179.5	-67.6	172.4	0.4	0	0	113.2	P728 V729 L730 A734 R949	P728-Q732 PolarHBondContact O-N 3.48Å; V729-Q732 PolarHBondContact O-N 3.39Å; V729-Q732 VanDerWaalsContact O-N 3.1Å; L730-Q732 VanDerWaalsContact C-N 3.28Å; L730-Q732 PolarHBondContact O-N 2.75Å; Q732-A734 PolarHBondContact O-N 3.36Å; Q732-R949 VanDerWaalsContact NE2-CZ 3.32Å
733	Q	74.3	Confident	65.3	Low	92 Å²	92	90 Å²	90	43%	0.43	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-69.4	130.4	173.9	-66.9	-176.7	-25.1	0	0	108.6	W707 P728 L731 E735	W707-Q733 HydrophobicContact CH2-CG 4.16Å; W707-Q733 HydrophobicContact CZ3-CG 3.73Å; W707-Q733 VanDerWaalsContact CZ3-NE2 3.31Å; P728-Q733 PolarHBondContact O-N 2.85Å; L731-Q733 HydrophobicContact CB-CG 4.22Å; L731-Q733 PolarHBondContact O-N 3.04Å; L731-Q733 VanDerWaalsContact O-N 3.1Å; Q733-E735 PolarHBondContact O-N 3.16Å
734	A	53.7	Low	63.4	Low	98 Å²	98	93.8 Å²	93.8	81%	0.81	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-51.1	125.7	174.1	0	0	0	0	0	108.5	Q732 I736	Q732-A734 PolarHBondContact O-N 3.36Å; A734-I736 PolarHBondContact O-N 3.4Å
735	E	45.9	Very low	62.3	Low	125 Å²	125	94.5 Å²	94.5	58%	0.584	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-49.3	118.3	-169.8	-68.5	-177.8	164.5	0	0	110.4	Q733 N737	Q733-E735 PolarHBondContact O-N 3.16Å; E735-N737 PolarHBondContact O-N 2.73Å
736	I	41.7	Very low	62.1	Low	160 Å²	160	94 Å²	94	82%	0.821	49%	0.491	S	S	*	.			trans	-61.7	98.4	142.9	-60.6	171	0	0	0	102.2	A734 P738	A734-I736 PolarHBondContact O-N 3.4Å; I736-P738 WeakPolarHBondContact O-CD 3.22Å
737	N	34.9	Very low	61.9	Low	128 Å²	128	92.4 Å²	92.4	68%	0.684	48%	0.484	S	S	*	.			trans	-34.6	107.9	176	-82.7	-36.6	0	0	0	107.1	E735 T739	E735-N737 PolarHBondContact O-N 2.73Å; N737-T739 VanDerWaalsContact C-N 3.32Å; N737-T739 PolarHBondContact O-N 3.2Å
738	P	40.5	Very low	61.9	Low	91 Å²	91	92.9 Å²	92.9	59%	0.591	49%	0.486	S	S	*	.			trans	-59.4	113.2	171.5	22.4	-27.9	0	0	0	102.7	I736 H740	I736-P738 WeakPolarHBondContact O-CD 3.22Å; P738-H740 VanDerWaalsContact C-N 3.34Å; P738-H740 PolarHBondContact O-N 3.42Å
739	T	32.5	Very low	62	Low	116 Å²	116	90.3 Å²	90.3	71%	0.712	47%	0.469	S	S	*	.			trans	-42.6	110.9	169.7	41.7	0	0	0	0	104.5	N737 R741	N737-T739 VanDerWaalsContact C-N 3.32Å; N737-T739 PolarHBondContact O-N 3.2Å; T739-R741 PolarHBondContact O-N 3Å
740	H	35.3	Very low	62.2	Low	183 Å²	183	88.3 Å²	88.3	85%	0.847	46%	0.457	S	S	*	.			trans	-50.1	92.2	-174.9	-108.8	-88.3	0	0	0	106.6	P738 V742	P738-H740 VanDerWaalsContact C-N 3.34Å; P738-H740 PolarHBondContact O-N 3.42Å; H740-V742 PolarHBondContact O-N 3.4Å
741	R	37.7	Very low	62.5	Low	209 Å²	209	88.4 Å²	88.4	79%	0.789	46%	0.458	S	S	*	.			trans	-79.6	98	172.5	-85.4	-165.2	-179.9	-169.2	2.3	102.1	T739 E743	T739-R741 PolarHBondContact O-N 3Å; R741-E743 PolarHBondContact O-N 3.08Å
742	V	39.4	Very low	62.8	Low	100 Å²	100	88.3 Å²	88.3	61%	0.606	46%	0.457	S	S	*	.			trans	-58.8	77.6	169.9	-179.9	0	0	0	0	107.3	H740 N744	H740-V742 PolarHBondContact O-N 3.4Å; V742-N744 HydrophobicContact CG1-CB 3.8Å; V742-N744 WeakPolarHBondContact CG1-ND2 3.1Å; V742-N744 PolarHBondContact O-N 3.36Å
743	E	46.1	Very low	63.4	Low	118 Å²	118	83.1 Å²	83.1	55%	0.551	43%	0.433	S	S	*	.			trans	-79.7	67.4	168.4	-75.1	-174.7	158.7	0	0	108	R741 D745 K746	R741-E743 PolarHBondContact O-N 3.08Å; E743-D745 PolarHBondContact O-N 3.18Å; E743-K746 WeakPolarHBondContact OE2-CE 3.33Å; E743-K746 IonicContact OE2-NZ 3.67Å; E743-K746 PolarHBondContact OE2-NZ 2.81Å
744	N	50.9	Low	64.2	Low	108 Å²	108	78.7 Å²	78.7	58%	0.578	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	9.5	-171.6	-100.8	-6	0	0	0	115.2	V742	V742-N744 HydrophobicContact CG1-CB 3.8Å; V742-N744 WeakPolarHBondContact CG1-ND2 3.1Å; V742-N744 PolarHBondContact O-N 3.36Å
745	D	66.9	Low	65.9	Low	116 Å²	116	74.5 Å²	74.5	62%	0.62	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.4	5.1	-173.9	-105.7	-10.9	0	0	0	115.2	E743 R818	E743-D745 PolarHBondContact O-N 3.18Å; D745-R818 IonicContact OD2-NH2 3.69Å
746	K	84.4	Confident	67.9	Low	76 Å²	76	68.8 Å²	68.8	33%	0.33	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-77.1	145	175.8	-68.2	-175.5	177.6	173.6	0	112.4	E743 A850 T853	E743-K746 WeakPolarHBondContact OE2-CE 3.33Å; E743-K746 IonicContact OE2-NZ 3.67Å; E743-K746 PolarHBondContact OE2-NZ 2.81Å; K746-A850 WeakPolarHBondContact CE-O 3.38Å; K746-T853 WeakPolarHBondContact CD-OG1 3.46Å
747	V	87.8	Confident	69.6	Low	3 Å²	3	61.9 Å²	61.9	2%	0.018	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	123.4	172.9	-178.8	0	0	0	0	109.5	M778 L823 S851 F852 T853	V747-M778 HydrophobicContact CG1-CE 3.93Å; V747-L823 HydrophobicContact CG1-CB 4.06Å; V747-S851 PolarHBondContact N-O 3.48Å; V747-F852 HydrophobicContact CB-CD1 3.63Å; V747-F852 HydrophobicContact CB-CE1 3.74Å; V747-F852 HydrophobicContact CG1-CD1 3.82Å; V747-F852 HydrophobicContact CG1-CE1 3.71Å; V747-F852 HydrophobicContact CG2-CD1 4.48Å; V747-F852 HydrophobicContact CG2-CE1 4.21Å; V747-F852 WeakPolarHBondContact O-CA 3.43Å; V747-T853 PolarHBondContact O-N 3.24Å
748	I	89.7	Confident	72.1	Confident	14 Å²	14	55.9 Å²	55.9	7%	0.072	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	127.1	-178.8	-54.7	177.1	0	0	0	109.3	R822 L823 T853 E939	I748-R822 HydrophobicContact CB-CG 4.5Å; I748-L823 PolarHBondContact O-N 3.02Å; I748-T853 CarbonylContact C-O 3.56Å; I748-T853 WeakPolarHBondContact CA-O 3.17Å; I748-E939 HydrophobicContact CD1-CB 3.78Å; I748-E939 HydrophobicContact CD1-CG 3.41Å; I748-E939 VanDerWaalsContact CD1-CG 3.41Å; I748-E939 WeakPolarHBondContact CD1-OE1 3.35Å; I748-E939 WeakPolarHBondContact CD1-OE2 3.04Å
749	I	92.7	Very high	74.3	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.9	177.2	-53.2	-174.6	0	0	0	109.3	I751 L799 L823 V825 L840 F852 T853 I854 G855	I749-I751 HydrophobicContact CG2-CG1 3.87Å; I749-L799 HydrophobicContact CD1-CD2 4.31Å; I749-L823 CarbonylContact C-O 3.5Å; I749-L823 VanDerWaalsContact CA-O 3.29Å; I749-L823 WeakPolarHBondContact CA-O 3.28Å; I749-L823 HydrophobicContact CD1-CD2 4.1Å; I749-L823 HydrophobicContact CG1-CB 4.28Å; I749-L823 HydrophobicContact CG1-CD2 4.1Å; I749-V825 HydrophobicContact CG2-CB 4.41Å; I749-V825 HydrophobicContact CG2-CG2 3.61Å; I749-L840 HydrophobicContact CD1-CD1 4.11Å; I749-L840 HydrophobicContact CD1-CD2 3.97Å; I749-F852 HydrophobicContact CD1-CB 3.86Å; I749-F852 HydrophobicContact CD1-CD1 3.88Å; I749-F852 HydrophobicContact CD1-CG 4.13Å; I749-F852 HydrophobicContact CG1-CB 4.37Å; I749-F852 HydrophobicContact CG1-CD1 4.01Å; I749-T853 PolarHBondContact N-O 2.94Å; I749-I854 HydrophobicContact CB-CG1 4.39Å; I749-G855 PolarHBondContact O-N 3.35Å
750	S	93.6	Very high	76.9	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.014	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	116.9	167.7	-70.1	0	0	0	0	108.4	L823 L824 V825	S750-L823 PolarHBondContact N-O 3.26Å; S750-L824 WeakPolarHBondContact O-CA 3.3Å; S750-V825 PolarHBondContact O-N 2.98Å
751	I	94.8	Very high	79.3	Confident	3 Å²	3	40.1 Å²	40.1	2%	0.015	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	126.1	-178.6	-54.4	178.2	0	0	0	108.5	I749 V825 L827 V836 I854 A856 I857 T858	I749-I751 HydrophobicContact CG2-CG1 3.87Å; I751-V825 WeakPolarHBondContact CA-O 3.17Å; I751-V825 HydrophobicContact CG1-CB 4.21Å; I751-V825 HydrophobicContact CG2-CG1 4.44Å; I751-L827 HydrophobicContact CG2-CD1 3.97Å; I751-V836 HydrophobicContact CD1-CG1 4.05Å; I751-I854 HydrophobicContact CD1-CD1 4.14Å; I751-I854 HydrophobicContact CD1-CG1 4.47Å; I751-I854 HydrophobicContact CD1-CG2 4.41Å; I751-A856 PolarHBondContact N-O 3.49Å; I751-A856 VanDerWaalsContact N-O 3.09Å; I751-I857 HydrophobicContact CB-CG1 4.13Å; I751-I857 HydrophobicContact CB-CG2 4.41Å; I751-I857 HydrophobicContact CD1-CD1 3.94Å; I751-I857 HydrophobicContact CD1-CG1 4.19Å; I751-I857 HydrophobicContact CG1-CG1 4.42Å; I751-I857 WeakPolarHBondContact O-CA 3.41Å; I751-T858 PolarHBondContact O-N 2.7Å
752	V	94.6	Very high	81.6	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	114.9	172.8	-173.4	0	0	0	0	107.6	A760 L763 L824 V825 V826 L827 T858	V752-A760 HydrophobicContact CG1-CB 3.85Å; V752-L763 HydrophobicContact CG1-CD2 4.19Å; V752-L824 HydrophobicContact CG2-CD1 4.06Å; V752-V825 PolarHBondContact N-O 3.46Å; V752-V826 WeakPolarHBondContact O-CA 3.46Å; V752-L827 PolarHBondContact O-N 3.31Å; V752-T858 CarbonylContact C-O 3.53Å; V752-T858 WeakPolarHBondContact CA-O 3.39Å
753	T	93.4	Very high	84	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	163.3	-179	-164.9	0	0	0	0	111.1	L827 V833 T858 A859 C860 Q880	T753-L827 CarbonylContact C-O 3.57Å; T753-L827 WeakPolarHBondContact CA-O 3.47Å; T753-V833 HydrophobicContact CG2-CG2 3.63Å; T753-T858 PolarHBondContact N-O 3.24Å; T753-A859 HydrophobicContact CG2-CB 4Å; T753-A859 CarbonylContact O-C 3.44Å; T753-A859 WeakPolarHBondContact O-CA 3.26Å; T753-C860 PolarHBondContact O-N 3.12Å; T753-Q880 HydrophobicContact CG2-CB 4.29Å; T753-Q880 HydrophobicContact CG2-CG 4.43Å
754	G	91.7	Very high	86	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.9	169.8	166.2	0	0	0	0	0	112.5	C758 L827 G829 Q880	G754-C758 VanDerWaalsContact CA-SG 3.57Å; G754-L827 PolarHBondContact N-O 3.21Å; G754-G829 PolarHBondContact O-N 2.89Å; G754-G829 VanDerWaalsContact O-N 3.08Å; G754-Q880 VanDerWaalsContact C-OE1 3.29Å; G754-Q880 VanDerWaalsContact CA-OE1 3.31Å
755	L	90.3	Very high	87.6	Confident	10 Å²	10	20.5 Å²	20.5	5%	0.052	11%	0.114	C	C	.	.	S	Bend	trans	-62.9	158.4	176.2	-63.1	-177.9	0	0	0	111.7	G757 C758 Y830 S865 F874 C877	L755-G757 PolarHBondContact O-N 3.23Å; L755-C758 WeakPolarHBondContact O-CB 3.28Å; L755-C758 PolarHBondContact O-N 2.93Å; L755-C758 VanDerWaalsContact O-N 3.09Å; L755-C758 PolarHBondContact O-SG 3.22Å; L755-Y830 HydrophobicContact CD2-CD1 3.79Å; L755-Y830 HydrophobicContact CD2-CE1 3.91Å; L755-S865 WeakPolarHBondContact CD1-O 3.33Å; L755-F874 HydrophobicContact CD1-CB 3.69Å; L755-F874 HydrophobicContact CD1-CG 4.35Å; L755-F874 HydrophobicContact CD2-CB 4.41Å; L755-C877 HydrophobicContact CD1-CB 3.92Å; L755-C877 HydrophobicContact CD2-CB 4.47Å
756	P	86.2	Confident	88.5	Confident	4 Å²	4	17.1 Å²	17.1	3%	0.026	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	130.5	175.1	-23.6	33.4	0	0	0	112.1	Y830 H1010 I1068	P756-Y830 HydrophobicContact CG-CE2 4.12Å; P756-H1010 HydrophobicContact CB-CB 4.24Å; P756-H1010 PolarHBondContact O-CE1 3.35Å; P756-H1010 PolarHBondContact O-ND1 3.26Å; P756-I1068 HydrophobicContact CG-CD1 4.42Å
757	G	79.2	Confident	88.6	Confident	15 Å²	15	13.5 Å²	13.5	16%	0.155	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	7.1	-177.6	0	0	0	0	0	115.7	L755 H759	L755-G757 PolarHBondContact O-N 3.23Å; G757-H759 PolarHBondContact O-N 2.87Å; G757-H759 VanDerWaalsContact O-N 3.1Å
758	C	85.6	Confident	88.5	Confident	2 Å²	2	15.4 Å²	15.4	1%	0.014	9%	0.09	C	C	.	.	S	Bend	trans	-73.6	11.8	178.7	67.2	0	0	0	0	116.2	G754 L755 A760 C860 E862 T892	G754-C758 VanDerWaalsContact CA-SG 3.57Å; L755-C758 WeakPolarHBondContact O-CB 3.28Å; L755-C758 PolarHBondContact O-N 2.93Å; L755-C758 VanDerWaalsContact O-N 3.09Å; L755-C758 PolarHBondContact O-SG 3.22Å; C758-A760 PolarHBondContact O-N 3.17Å; C758-A760 VanDerWaalsContact SG-CB 3.51Å; C758-C860 HydrophobicContact CB-CB 3.95Å; C758-C860 WeakPolarHBondContact CB-O 3.39Å; C758-C860 WeakPolarHBondContact O-CB 3.31Å; C758-E862 HydrophobicContact CB-CB 4.47Å; C758-T892 VanDerWaalsContact O-CG2 3.29Å; C758-T892 WeakPolarHBondContact O-CG2 3.35Å; C758-T892 PolarHBondContact O-OG1 3.09Å
759	H	87.1	Confident	88.1	Confident	36 Å²	36	19.2 Å²	19.2	17%	0.167	11%	0.114	C	C	.	.	S	Bend	trans	56.5	17.3	-175.1	-57.6	-68.8	0	0	0	117	G757 S761 E762 L763 E862 T892	G757-H759 PolarHBondContact O-N 2.87Å; G757-H759 VanDerWaalsContact O-N 3.1Å; H759-S761 PolarHBondContact O-N 2.76Å; H759-E762 VanDerWaalsContact C-OE2 3.3Å; H759-E762 WeakPolarHBondContact CA-OE2 3.29Å; H759-E762 HydrophobicContact CB-CB 4.4Å; H759-E762 IonicContact CE1-OE1 3.94Å; H759-E762 IonicContact CG-OE1 3.89Å; H759-E762 IonicContact ND1-OE1 3.52Å; H759-E762 PolarHBondContact ND1-OE1 3.21Å; H759-E762 IonicContact ND1-OE2 3.04Å; H759-E762 PolarHBondContact O-N 3Å; H759-L763 PolarHBondContact O-N 2.91Å; H759-E862 IonicContact CD2-OE2 2.67Å; H759-T892 HydrophobicContact CB-CG2 4.12Å
760	A	88.3	Confident	87.2	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.9	-32.1	176.5	0	0	0	0	0	113.5	V752 C758 C764 Q828 C860	V752-A760 HydrophobicContact CG1-CB 3.85Å; C758-A760 PolarHBondContact O-N 3.17Å; C758-A760 VanDerWaalsContact SG-CB 3.51Å; A760-C764 VanDerWaalsContact O-CB 3.32Å; A760-C764 WeakPolarHBondContact O-CB 3.37Å; A760-C764 PolarHBondContact O-N 3.08Å; A760-Q828 HydrophobicContact CB-CG 4.23Å; A760-C860 HydrophobicContact CB-CB 4.06Å
761	S	84.8	Confident	86	Confident	24 Å²	24	24.6 Å²	24.6	17%	0.168	14%	0.141	C	C	.	.	H	α-helix	trans	-68.8	-37.2	177.9	-85	0	0	0	0	111.8	H759 C764 A765 Q828	H759-S761 PolarHBondContact O-N 2.76Å; S761-C764 WeakPolarHBondContact O-CB 3.24Å; S761-C764 PolarHBondContact O-N 3.28Å; S761-A765 WeakPolarHBondContact O-CB 3.47Å; S761-A765 PolarHBondContact O-N 3.1Å; S761-Q828 VanDerWaalsContact N-NE2 3.12Å; S761-Q828 VanDerWaalsContact OG-CD 3.3Å; S761-Q828 PolarHBondContact OG-NE2 3.07Å; S761-Q828 VanDerWaalsContact OG-NE2 3.15Å; S761-Q828 PolarHBondContact OG-OE1 2.72Å; S761-Q828 VanDerWaalsContact OG-OE1 3.12Å
762	E	87.1	Confident	84.3	Confident	77 Å²	77	31.4 Å²	31.4	36%	0.36	17%	0.171	S	C	.	.	H	α-helix	trans	-71.1	-44.6	177.1	-65.1	89	142.6	0	0	110.6	H759 C764 A765 F766	H759-E762 VanDerWaalsContact C-OE2 3.3Å; H759-E762 WeakPolarHBondContact CA-OE2 3.29Å; H759-E762 HydrophobicContact CB-CB 4.4Å; H759-E762 IonicContact CE1-OE1 3.94Å; H759-E762 IonicContact CG-OE1 3.89Å; H759-E762 IonicContact ND1-OE1 3.52Å; H759-E762 PolarHBondContact ND1-OE1 3.21Å; H759-E762 IonicContact ND1-OE2 3.04Å; H759-E762 PolarHBondContact O-N 3Å; E762-C764 VanDerWaalsContact C-N 3.32Å; E762-C764 PolarHBondContact O-N 3.16Å; E762-A765 PolarHBondContact O-N 3.17Å; E762-A765 VanDerWaalsContact O-N 3.17Å; E762-F766 WeakPolarHBondContact O-CB 3.49Å; E762-F766 PolarHBondContact O-N 2.87Å
763	L	88.9	Confident	82.4	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.4	-46.2	171.5	178.7	63.9	0	0	0	111.1	V752 H759 A765 F766 L767 V890 G925 V927 I936	V752-L763 HydrophobicContact CG1-CD2 4.19Å; H759-L763 PolarHBondContact O-N 2.91Å; L763-A765 PolarHBondContact O-N 2.9Å; L763-F766 WeakPolarHBondContact O-CB 3.26Å; L763-F766 PolarHBondContact O-N 2.94Å; L763-L767 HydrophobicContact CD1-CD1 4.43Å; L763-L767 HydrophobicContact CD1-CG 4.38Å; L763-L767 HydrophobicContact CG-CD1 4.17Å; L763-L767 VanDerWaalsContact O-CG 3.26Å; L763-L767 WeakPolarHBondContact O-CG 3.46Å; L763-L767 PolarHBondContact O-N 2.74Å; L763-V890 HydrophobicContact CD2-CG1 4.4Å; L763-V890 HydrophobicContact CD2-CG2 4.29Å; L763-G925 WeakPolarHBondContact CA-O 3.26Å; L763-G925 VanDerWaalsContact CD1-O 3.32Å; L763-G925 WeakPolarHBondContact CD1-O 3.43Å; L763-V927 HydrophobicContact CD1-CG2 3.48Å; L763-V927 VanDerWaalsContact CD1-CG2 3.48Å; L763-I936 HydrophobicContact CD1-CD1 4.47Å
764	C	87.5	Confident	80.5	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-56.7	-49.6	173.7	161	0	0	0	0	112	A760 S761 E762 F766 L767 V768 L824 V826	A760-C764 VanDerWaalsContact O-CB 3.32Å; A760-C764 WeakPolarHBondContact O-CB 3.37Å; A760-C764 PolarHBondContact O-N 3.08Å; S761-C764 WeakPolarHBondContact O-CB 3.24Å; S761-C764 PolarHBondContact O-N 3.28Å; E762-C764 VanDerWaalsContact C-N 3.32Å; E762-C764 PolarHBondContact O-N 3.16Å; C764-F766 VanDerWaalsContact C-N 3.29Å; C764-F766 PolarHBondContact O-N 3.19Å; C764-L767 PolarHBondContact O-N 2.9Å; C764-V768 WeakPolarHBondContact O-CG2 3.46Å; C764-V768 PolarHBondContact O-N 3.01Å; C764-L824 HydrophobicContact CB-CD2 3.6Å; C764-L824 WeakPolarHBondContact SG-CD2 3.24Å; C764-V826 HydrophobicContact CB-CG2 3.7Å
765	A	85.4	Confident	79.1	Confident	45 Å²	45	47.2 Å²	47.2	37%	0.372	24%	0.241	S	C	.	.	H	α-helix	trans	-62.2	-38.9	-179.6	0	0	0	0	0	111.7	S761 E762 L763 T769	S761-A765 WeakPolarHBondContact O-CB 3.47Å; S761-A765 PolarHBondContact O-N 3.1Å; E762-A765 PolarHBondContact O-N 3.17Å; E762-A765 VanDerWaalsContact O-N 3.17Å; L763-A765 PolarHBondContact O-N 2.9Å; A765-T769 WeakPolarHBondContact O-CB 3.35Å; A765-T769 PolarHBondContact O-N 3.04Å; A765-T769 PolarHBondContact O-OG1 2.79Å
766	F	86.6	Confident	78.3	Confident	45 Å²	45	52.5 Å²	52.5	20%	0.197	26%	0.26	C	S	.	.	H	α-helix	trans	-61.4	-50.7	173.7	176	-97.8	0	0	0	111.6	E762 L763 C764 V768 T769 L770 I926 V927 I933	E762-F766 WeakPolarHBondContact O-CB 3.49Å; E762-F766 PolarHBondContact O-N 2.87Å; L763-F766 WeakPolarHBondContact O-CB 3.26Å; L763-F766 PolarHBondContact O-N 2.94Å; C764-F766 VanDerWaalsContact C-N 3.29Å; C764-F766 PolarHBondContact O-N 3.19Å; F766-V768 PolarHBondContact O-N 3.24Å; F766-T769 PolarHBondContact O-N 2.96Å; F766-T769 VanDerWaalsContact O-N 3.11Å; F766-L770 HydrophobicContact CE1-CD2 4.09Å; F766-L770 HydrophobicContact CE2-CD1 3.83Å; F766-L770 HydrophobicContact CZ-CB 4.43Å; F766-L770 HydrophobicContact CZ-CD1 3.75Å; F766-L770 HydrophobicContact CZ-CD2 3.89Å; F766-L770 HydrophobicContact CZ-CG 4.25Å; F766-L770 WeakPolarHBondContact O-CB 3.38Å; F766-L770 PolarHBondContact O-N 2.99Å; F766-I926 HydrophobicContact CD2-CG2 4.4Å; F766-I926 HydrophobicContact CE2-CG2 4.05Å; F766-I926 HydrophobicContact CZ-CG2 4.49Å; F766-V927 HydrophobicContact CE1-CB 3.96Å; F766-V927 WeakPolarHBondContact CZ-O 3.39Å; F766-I933 HydrophobicContact CE1-CD1 4.3Å
767	L	86.4	Confident	78	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-58.7	-45.4	179.6	-69.6	170.9	0	0	0	112	L763 C764 T769 H771 I933 I936 L937	L763-L767 HydrophobicContact CD1-CD1 4.43Å; L763-L767 HydrophobicContact CD1-CG 4.38Å; L763-L767 HydrophobicContact CG-CD1 4.17Å; L763-L767 VanDerWaalsContact O-CG 3.26Å; L763-L767 WeakPolarHBondContact O-CG 3.46Å; L763-L767 PolarHBondContact O-N 2.74Å; C764-L767 PolarHBondContact O-N 2.9Å; L767-T769 VanDerWaalsContact C-N 3.29Å; L767-T769 PolarHBondContact O-N 2.99Å; L767-H771 WeakPolarHBondContact O-CB 3.45Å; L767-H771 PolarHBondContact O-N 3.49Å; L767-I933 HydrophobicContact CD2-CG2 3.9Å; L767-I936 HydrophobicContact CD1-CG2 3.92Å; L767-L937 HydrophobicContact CD1-CD2 4.44Å; L767-L937 HydrophobicContact CD2-CD1 4.35Å; L767-L937 HydrophobicContact CD2-CG 4.47Å
768	V	84.3	Confident	78.3	Confident	44 Å²	44	55.3 Å²	55.3	27%	0.267	27%	0.267	S	S	.	.	H	α-helix	trans	-64.9	-34.1	177.9	173.7	0	0	0	0	111.9	C764 F766 W777 V779	C764-V768 WeakPolarHBondContact O-CG2 3.46Å; C764-V768 PolarHBondContact O-N 3.01Å; F766-V768 PolarHBondContact O-N 3.24Å; V768-W777 HydrophobicContact CG2-CB 4.48Å; V768-W777 HydrophobicContact CG2-CG 4.39Å; V768-V779 HydrophobicContact CG2-CG2 4.09Å
769	T	82.4	Confident	78.4	Confident	94 Å²	94	57.4 Å²	57.4	58%	0.577	28%	0.28	S	S	*	.	H	α-helix	trans	-77.8	-44.8	-178.6	-57	0	0	0	0	112.2	A765 F766 L767	A765-T769 WeakPolarHBondContact O-CB 3.35Å; A765-T769 PolarHBondContact O-N 3.04Å; A765-T769 PolarHBondContact O-OG1 2.79Å; F766-T769 PolarHBondContact O-N 2.96Å; F766-T769 VanDerWaalsContact O-N 3.11Å; L767-T769 VanDerWaalsContact C-N 3.29Å; L767-T769 PolarHBondContact O-N 2.99Å
770	L	73.1	Confident	78.4	Confident	88 Å²	88	56 Å²	56	46%	0.461	27%	0.273	S	S	.	.	H	α-helix	trans	-73.9	-38.3	-176	-155.1	94.7	0	0	0	111.8	F766 K772 I933	F766-L770 HydrophobicContact CE1-CD2 4.09Å; F766-L770 HydrophobicContact CE2-CD1 3.83Å; F766-L770 HydrophobicContact CZ-CB 4.43Å; F766-L770 HydrophobicContact CZ-CD1 3.75Å; F766-L770 HydrophobicContact CZ-CD2 3.89Å; F766-L770 HydrophobicContact CZ-CG 4.25Å; F766-L770 WeakPolarHBondContact O-CB 3.38Å; F766-L770 PolarHBondContact O-N 2.99Å; L770-K772 PolarHBondContact O-N 2.84Å; L770-I933 HydrophobicContact CD2-CD1 3.54Å
771	H	68.3	Low	78.1	Confident	27 Å²	27	62 Å²	62	13%	0.125	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	43.8	-174.4	-80.3	54.3	0	0	0	113.8	L767 E773 Y774 W777 I933	L767-H771 WeakPolarHBondContact O-CB 3.45Å; L767-H771 PolarHBondContact O-N 3.49Å; H771-E773 PolarHBondContact O-N 2.91Å; H771-Y774 AromaticContact CD2-CD2 3.61Å; H771-W777 HydrophobicContact CB-CZ2 3.84Å; H771-W777 PolarHBondContact O-NE1 3.24Å; H771-I933 WeakPolarHBondContact CE1-CG2 3.48Å
772	K	60.3	Low	77.5	Confident	146 Å²	146	61.7 Å²	61.7	64%	0.635	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-15.9	169.2	-70.5	-177.5	-177.8	177.4	0	113	L770 K819	L770-K772 PolarHBondContact O-N 2.84Å; K772-K819 PolarHBondContact O-NZ 2.91Å; K772-K819 VanDerWaalsContact O-NZ 3.12Å
773	E	53.5	Low	76.5	Confident	163 Å²	163	61.7 Å²	61.7	76%	0.762	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-35.2	-177.3	-64.6	-172.5	162.5	0	0	113.5	H771 K819	H771-E773 PolarHBondContact O-N 2.91Å; E773-K819 PolarHBondContact O-NZ 2.95Å
774	Y	53.7	Low	75.3	Confident	164 Å²	164	63.5 Å²	63.5	64%	0.643	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-14.3	-169.9	-84	-84.9	0	0	0	116.9	H771	H771-Y774 AromaticContact CD2-CD2 3.61Å
775	G	62.3	Low	73.9	Confident	7 Å²	7	67.4 Å²	67.4	7%	0.072	32%	0.323	C	S	.	.			trans	177.8	175.1	-177.1	0	0	0	0	0	115.6	K820	G775-K820 VanDerWaalsContact CA-O 3.27Å; G775-K820 WeakPolarHBondContact CA-O 3.47Å
776	R	73.1	Confident	72.7	Confident	121 Å²	121	67 Å²	67	46%	0.457	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124.9	170.3	-171.6	-179.9	-173.8	164	7	108.8	K820 T821 R822	R776-K820 PolarHBondContact N-O 2.9Å; R776-K820 VanDerWaalsContact N-O 3.16Å; R776-T821 WeakPolarHBondContact O-CA 3.36Å; R776-R822 PolarHBondContact O-N 3.2Å
777	W	80.8	Confident	71.2	Confident	41 Å²	41	69.4 Å²	69.4	16%	0.155	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	134	-176.1	-63.7	93.5	0	0	0	112	V768 H771 R822 L824 L937	V768-W777 HydrophobicContact CG2-CB 4.48Å; V768-W777 HydrophobicContact CG2-CG 4.39Å; H771-W777 HydrophobicContact CB-CZ2 3.84Å; H771-W777 PolarHBondContact O-NE1 3.24Å; W777-R822 WeakPolarHBondContact CA-O 3.42Å; W777-R822 HydrophobicContact CE3-CB 4.04Å; W777-R822 HydrophobicContact CZ3-CB 4.02Å; W777-L824 HydrophobicContact CE3-CB 4.41Å; W777-L824 HydrophobicContact CZ3-CD1 4.3Å; W777-L937 HydrophobicContact CH2-CD1 3.8Å; W777-L937 HydrophobicContact CH2-CD2 3.68Å; W777-L937 HydrophobicContact CH2-CG 4.4Å; W777-L937 HydrophobicContact CZ2-CD1 4.22Å; W777-L937 HydrophobicContact CZ3-CD2 4.21Å
778	M	85.8	Confident	69.9	Low	37 Å²	37	74.5 Å²	74.5	18%	0.182	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	140.5	159.9	-60.3	-175.2	-60.6	0	0	107.3	V747 A802 T821 R822 L823 L824	V747-M778 HydrophobicContact CG1-CE 3.93Å; M778-A802 HydrophobicContact CE-CB 4.28Å; M778-A802 HydrophobicContact SD-CB 4.11Å; M778-T821 HydrophobicContact CE-CG2 3.71Å; M778-T821 HydrophobicContact CG-CG2 4.12Å; M778-T821 HydrophobicContact SD-CG2 4.09Å; M778-R822 PolarHBondContact N-O 3.23Å; M778-L823 HydrophobicContact CB-CD1 3.72Å; M778-L823 HydrophobicContact CE-CB 4.2Å; M778-L823 CarbonylContact O-C 3.46Å; M778-L823 WeakPolarHBondContact O-CA 3.42Å; M778-L824 PolarHBondContact O-N 3.19Å
779	V	86	Confident	68.9	Low	47 Å²	47	74 Å²	74	29%	0.285	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	120.4	179.8	-173.8	0	0	0	0	108.6	V768 R781 Y798 L824 V826	V768-V779 HydrophobicContact CG2-CG2 4.09Å; V779-R781 HydrophobicContact CG1-CG 3.98Å; V779-Y798 PolarHBondContact O-OH 3.49Å; V779-L824 CarbonylContact C-O 3.53Å; V779-L824 WeakPolarHBondContact CA-O 3.3Å; V779-L824 HydrophobicContact CG2-CB 4.47Å; V779-V826 HydrophobicContact CG1-CG2 4.37Å
780	Y	87.9	Confident	68.9	Low	6 Å²	6	70.9 Å²	70.9	2%	0.024	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	124.3	166	177.8	-94.5	0	0	0	108.4	H794 F795 Y798 L824 V825 V826 L827	Y780-H794 AromaticContact CE2-ND1 3.84Å; Y780-H794 AromaticContact CZ-ND1 3.95Å; Y780-H794 PolarHBondContact OH-ND1 2.63Å; Y780-H794 VanDerWaalsContact OH-ND1 3.16Å; Y780-F795 HydrophobicContact CD1-CD2 4.11Å; Y780-F795 HydrophobicContact CD1-CE2 4.39Å; Y780-F795 HydrophobicContact CD2-CD2 4.26Å; Y780-F795 AromaticContact CE1-CD2 3.94Å; Y780-F795 HydrophobicContact CE1-CD2 3.94Å; Y780-F795 HydrophobicContact CE2-CD2 4.1Å; Y780-F795 HydrophobicContact CG-CD2 4.25Å; Y780-F795 HydrophobicContact CG-CE2 4.45Å; Y780-F795 AromaticContact CZ-CD2 3.93Å; Y780-Y798 AromaticContact CD2-CD1 3.67Å; Y780-Y798 HydrophobicContact CD2-CD1 3.67Å; Y780-Y798 AromaticContact CD2-CD2 3.73Å; Y780-Y798 HydrophobicContact CD2-CD2 3.73Å; Y780-Y798 HydrophobicContact CD2-CE1 4.05Å; Y780-Y798 HydrophobicContact CD2-CE2 4.06Å; Y780-Y798 AromaticContact CD2-CG 3.51Å; Y780-Y798 HydrophobicContact CD2-CG 3.51Å; Y780-Y798 HydrophobicContact CE2-CD2 4.31Å; Y780-Y798 HydrophobicContact CE2-CG 4.03Å; Y780-Y798 HydrophobicContact CG-CD1 4.36Å; Y780-Y798 HydrophobicContact CG-CE1 4.43Å; Y780-L824 PolarHBondContact N-O 2.89Å; Y780-V825 HydrophobicContact CD1-CG1 3.93Å; Y780-V826 PolarHBondContact O-N 2.66Å; Y780-L827 HydrophobicContact CE1-CD2 4.46Å
781	R	82.5	Confident	69.4	Low	127 Å²	127	70.2 Å²	70.2	48%	0.479	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.7	170.1	-62.6	-174.8	-178.1	-119.7	-0.4	107.9	V779	V779-R781 HydrophobicContact CG1-CG 3.98Å
782	Q	71.8	Confident	70.3	Confident	16 Å²	16	71 Å²	71	8%	0.075	35%	0.346	C	S	.	.			trans	-61.2	136.4	169.5	-178.5	-163.8	-31	0	0	109.9	M784 C789 Q828	Q782-M784 HydrophobicContact CB-CE 3.86Å; Q782-M784 HydrophobicContact CG-CE 3.92Å; Q782-C789 WeakPolarHBondContact CG-O 3.17Å; Q782-C789 PolarHBondContact NE2-O 2.92Å; Q782-C789 PolarHBondContact OE1-O 3.11Å; Q782-Q828 PolarHBondContact OE1-O 2.98Å
783	I	66.6	Low	71.6	Confident	77 Å²	77	67.5 Å²	67.5	40%	0.395	34%	0.344	S	S	.	.			trans	-81.8	130.6	177.7	-34.6	-179.8	0	0	0	108.3	D785	I783-D785 WeakPolarHBondContact CB-OD1 3.17Å; I783-D785 HydrophobicContact CG2-CB 4.47Å; I783-D785 WeakPolarHBondContact CG2-OD1 3.05Å; I783-D785 WeakPolarHBondContact CG2-OD2 3.42Å
784	M	62.1	Low	73.3	Confident	38 Å²	38	63.6 Å²	63.6	19%	0.187	33%	0.326	C	S	.	.	S	Bend	trans	-96.1	2.1	-172.6	-63.6	-66.7	150.2	0	0	113.4	Q782 Q828 Q974 V1066	Q782-M784 HydrophobicContact CB-CE 3.86Å; Q782-M784 HydrophobicContact CG-CE 3.92Å; M784-Q828 HydrophobicContact CE-CB 4.41Å; M784-Q974 PolarHBondContact O-NE2 3.26Å; M784-V1066 WeakPolarHBondContact O-CG2 3.17Å
785	D	59.5	Low	75	Confident	82 Å²	82	55.9 Å²	55.9	44%	0.439	30%	0.296	S	S	.	.	S	Bend	trans	-82.8	-13.7	-179.9	55.2	0.6	0	0	0	113.3	I783 W978	I783-D785 WeakPolarHBondContact CB-OD1 3.17Å; I783-D785 HydrophobicContact CG2-CB 4.47Å; I783-D785 WeakPolarHBondContact CG2-OD1 3.05Å; I783-D785 WeakPolarHBondContact CG2-OD2 3.42Å; D785-W978 HydrophobicContact CB-CZ2 4.16Å
786	S	60.3	Low	76.5	Confident	37 Å²	37	57 Å²	57	26%	0.259	30%	0.299	S	S	.	.	S	Bend	trans	-95.5	154.1	175.4	67.3	0	0	0	0	113.2	E788 Q974	S786-E788 VanDerWaalsContact C-N 3.33Å; S786-E788 PolarHBondContact O-N 2.85Å; S786-E788 PolarHBondContact OG-O 3.38Å; S786-Q974 PolarHBondContact O-NE2 3.28Å
787	S	54.7	Low	77.3	Confident	96 Å²	96	59.6 Å²	59.6	67%	0.671	31%	0.309	S	S	*	.	S	Bend	trans	-70.7	-20.8	176.7	52.9	0	0	0	0	114.6
788	E	58.3	Low	77.7	Confident	107 Å²	107	60.7 Å²	60.7	50%	0.5	31%	0.313	S	S	.	.	S	Bend	trans	-97.5	140.9	178.5	-54.5	-175.8	-179.3	0	0	112.2	S786 H791	S786-E788 VanDerWaalsContact C-N 3.33Å; S786-E788 PolarHBondContact O-N 2.85Å; S786-E788 PolarHBondContact OG-O 3.38Å; E788-H791 VanDerWaalsContact CB-CE1 3.48Å; E788-H791 WeakPolarHBondContact CB-CE1 3.03Å; E788-H791 IonicContact OE2-CD2 3.84Å; E788-H791 PolarHBondContact OE2-CD2 3.49Å; E788-H791 IonicContact OE2-CE1 3.92Å; E788-H791 IonicContact OE2-CG 3.79Å; E788-H791 IonicContact OE2-NE2 2.91Å; E788-H791 PolarHBondContact OE2-NE2 2.89Å
789	C	63.6	Low	78	Confident	32 Å²	32	58.9 Å²	58.9	22%	0.216	31%	0.305	C	S	.	.	S	Bend	trans	-77	-19	-178.2	-69	0	0	0	0	114.3	Q782 T831	Q782-C789 WeakPolarHBondContact CG-O 3.17Å; Q782-C789 PolarHBondContact NE2-O 2.92Å; Q782-C789 PolarHBondContact OE1-O 3.11Å; C789-T831 WeakPolarHBondContact CB-OG1 3.42Å; C789-T831 PolarHBondContact O-OG1 3.07Å
790	F	82.8	Confident	78.2	Confident	30 Å²	30	58 Å²	58	13%	0.132	30%	0.3	C	S	.	.			trans	-161.8	131.2	174	177.8	-104.1	0	0	0	111.7	A792 F795 L827 T831 D835 V836 A839	F790-A792 HydrophobicContact CE1-CB 4.29Å; F790-F795 HydrophobicContact CE2-CB 3.81Å; F790-F795 HydrophobicContact CE2-CD1 4.49Å; F790-F795 HydrophobicContact CE2-CG 4.06Å; F790-F795 HydrophobicContact CZ-CB 3.79Å; F790-F795 HydrophobicContact CZ-CD1 4.03Å; F790-F795 HydrophobicContact CZ-CG 4Å; F790-L827 HydrophobicContact CD2-CD2 4.08Å; F790-L827 HydrophobicContact CE2-CD2 4.36Å; F790-T831 HydrophobicContact CB-CG2 3.49Å; F790-T831 VanDerWaalsContact CB-CG2 3.49Å; F790-T831 HydrophobicContact CD1-CG2 4.33Å; F790-T831 HydrophobicContact CG-CG2 3.95Å; F790-D835 HydrophobicContact CD1-CB 4.29Å; F790-D835 HydrophobicContact CE1-CB 4.37Å; F790-V836 HydrophobicContact CD1-CG2 4.35Å; F790-V836 HydrophobicContact CD2-CG2 4.16Å; F790-V836 HydrophobicContact CE1-CG2 3.98Å; F790-V836 HydrophobicContact CE2-CG2 3.78Å; F790-V836 HydrophobicContact CG-CG2 4.44Å; F790-V836 HydrophobicContact CZ-CB 4.17Å; F790-V836 HydrophobicContact CZ-CG1 4.37Å; F790-V836 HydrophobicContact CZ-CG2 3.69Å; F790-A839 HydrophobicContact CE1-CB 4.24Å; F790-A839 HydrophobicContact CZ-CB 4.22Å
791	H	83.3	Confident	78.2	Confident	74 Å²	74	61.6 Å²	61.6	34%	0.343	32%	0.32	S	S	.	.			trans	-117.1	114.3	175.8	-63.2	91.8	0	0	0	110.5	E788 A793 H794 F795	E788-H791 VanDerWaalsContact CB-CE1 3.48Å; E788-H791 WeakPolarHBondContact CB-CE1 3.03Å; E788-H791 IonicContact OE2-CD2 3.84Å; E788-H791 PolarHBondContact OE2-CD2 3.49Å; E788-H791 IonicContact OE2-CE1 3.92Å; E788-H791 IonicContact OE2-CG 3.79Å; E788-H791 IonicContact OE2-NE2 2.91Å; E788-H791 PolarHBondContact OE2-NE2 2.89Å; H791-A793 VanDerWaalsContact C-N 3.32Å; H791-A793 PolarHBondContact O-N 2.73Å; H791-H794 HydrophobicContact CB-CB 4.04Å; H791-H794 PolarHBondContact O-N 3Å; H791-F795 PolarHBondContact O-N 3.28Å
792	A	87.4	Confident	78.4	Confident	43 Å²	43	56 Å²	56	36%	0.355	30%	0.301	S	S	.	.	H	α-helix	trans	-57.1	-42.7	-180	0	0	0	0	0	112.6	F790 H794 F795 Q796 A839	F790-A792 HydrophobicContact CE1-CB 4.29Å; A792-H794 VanDerWaalsContact C-N 3.34Å; A792-H794 PolarHBondContact O-N 2.65Å; A792-F795 PolarHBondContact O-N 3.17Å; A792-Q796 WeakPolarHBondContact O-CB 3.39Å; A792-Q796 VanDerWaalsContact O-CG 3.26Å; A792-Q796 WeakPolarHBondContact O-CG 3.41Å; A792-Q796 PolarHBondContact O-N 3.16Å; A792-A839 HydrophobicContact CB-CB 3.77Å
793	A	88	Confident	79	Confident	73 Å²	73	56 Å²	56	60%	0.603	30%	0.301	S	S	*	.	H	α-helix	trans	-63.1	-38.2	-179.7	0	0	0	0	0	112.8	H791 R797	H791-A793 VanDerWaalsContact C-N 3.32Å; H791-A793 PolarHBondContact O-N 2.73Å; A793-R797 WeakPolarHBondContact O-CB 3.32Å; A793-R797 PolarHBondContact O-N 3.32Å
794	H	88.8	Confident	79.9	Confident	81 Å²	81	57.6 Å²	57.6	38%	0.375	31%	0.307	S	S	.	.	H	α-helix	trans	-66.7	-44.5	176.7	-177.9	-99.2	0	0	0	111.1	Y780 H791 A792 R797 Y798	Y780-H794 AromaticContact CE2-ND1 3.84Å; Y780-H794 AromaticContact CZ-ND1 3.95Å; Y780-H794 PolarHBondContact OH-ND1 2.63Å; Y780-H794 VanDerWaalsContact OH-ND1 3.16Å; H791-H794 HydrophobicContact CB-CB 4.04Å; H791-H794 PolarHBondContact O-N 3Å; A792-H794 VanDerWaalsContact C-N 3.34Å; A792-H794 PolarHBondContact O-N 2.65Å; H794-R797 PolarHBondContact O-N 3.22Å; H794-Y798 PolarHBondContact O-N 3.3Å
795	F	90.3	Very high	80.7	Confident	1 Å²	1	57.7 Å²	57.7	0%	0.004	31%	0.314	C	S	.	.	H	α-helix	trans	-62	-45.9	176.2	179	-117.3	0	0	0	112.1	Y780 F790 H791 A792 R797 Y798 L799 V825 V836 A839 L840	Y780-F795 HydrophobicContact CD1-CD2 4.11Å; Y780-F795 HydrophobicContact CD1-CE2 4.39Å; Y780-F795 HydrophobicContact CD2-CD2 4.26Å; Y780-F795 AromaticContact CE1-CD2 3.94Å; Y780-F795 HydrophobicContact CE1-CD2 3.94Å; Y780-F795 HydrophobicContact CE2-CD2 4.1Å; Y780-F795 HydrophobicContact CG-CD2 4.25Å; Y780-F795 HydrophobicContact CG-CE2 4.45Å; Y780-F795 AromaticContact CZ-CD2 3.93Å; F790-F795 HydrophobicContact CE2-CB 3.81Å; F790-F795 HydrophobicContact CE2-CD1 4.49Å; F790-F795 HydrophobicContact CE2-CG 4.06Å; F790-F795 HydrophobicContact CZ-CB 3.79Å; F790-F795 HydrophobicContact CZ-CD1 4.03Å; F790-F795 HydrophobicContact CZ-CG 4Å; H791-F795 PolarHBondContact O-N 3.28Å; A792-F795 PolarHBondContact O-N 3.17Å; F795-R797 PolarHBondContact O-N 3.17Å; F795-Y798 WeakPolarHBondContact O-CB 3.18Å; F795-Y798 PolarHBondContact O-N 2.83Å; F795-Y798 VanDerWaalsContact O-N 3.17Å; F795-L799 HydrophobicContact CD1-CD1 4.18Å; F795-L799 HydrophobicContact CE1-CD1 3.74Å; F795-L799 HydrophobicContact CE1-CG 4.38Å; F795-L799 HydrophobicContact CE2-CD2 4.25Å; F795-L799 HydrophobicContact CE2-CG 4.34Å; F795-L799 HydrophobicContact CZ-CD1 3.93Å; F795-L799 HydrophobicContact CZ-CD2 4.12Å; F795-L799 HydrophobicContact CZ-CG 4.19Å; F795-L799 WeakPolarHBondContact O-CG 3.46Å; F795-L799 PolarHBondContact O-N 3.37Å; F795-V825 HydrophobicContact CE2-CG1 4.19Å; F795-V825 HydrophobicContact CE2-CG2 3.89Å; F795-V825 HydrophobicContact CZ-CG2 4.24Å; F795-V836 HydrophobicContact CE1-CG1 4.05Å; F795-V836 HydrophobicContact CZ-CG1 4.17Å; F795-A839 HydrophobicContact CD1-CB 4.03Å; F795-L840 HydrophobicContact CE1-CB 4.41Å
796	Q	92.3	Very high	81.5	Confident	30 Å²	30	56.5 Å²	56.5	14%	0.14	31%	0.306	C	S	.	.	H	α-helix	trans	-60.6	-42.5	176.3	-71.6	172.8	-18.7	0	0	112.1	A792 Y798 L799 S800 A839 H843	A792-Q796 WeakPolarHBondContact O-CB 3.39Å; A792-Q796 VanDerWaalsContact O-CG 3.26Å; A792-Q796 WeakPolarHBondContact O-CG 3.41Å; A792-Q796 PolarHBondContact O-N 3.16Å; Q796-Y798 VanDerWaalsContact C-N 3.33Å; Q796-Y798 PolarHBondContact O-N 3.44Å; Q796-L799 PolarHBondContact O-N 3.19Å; Q796-S800 PolarHBondContact O-N 3.44Å; Q796-S800 PolarHBondContact O-OG 3.4Å; Q796-A839 WeakPolarHBondContact CG-O 3.43Å; Q796-A839 PolarHBondContact NE2-O 2.96Å; Q796-H843 PolarHBondContact O-NE2 3.04Å; Q796-H843 VanDerWaalsContact O-NE2 3.11Å
797	R	89.9	Confident	82.1	Confident	177 Å²	177	60 Å²	60	67%	0.668	32%	0.318	S	S	*	.	H	α-helix	trans	-62	-40.9	174.4	-172.4	175.8	-177.4	170	-1	112.1	A793 H794 F795 L799 S800 N801	A793-R797 WeakPolarHBondContact O-CB 3.32Å; A793-R797 PolarHBondContact O-N 3.32Å; H794-R797 PolarHBondContact O-N 3.22Å; F795-R797 PolarHBondContact O-N 3.17Å; R797-L799 PolarHBondContact O-N 3.2Å; R797-S800 PolarHBondContact O-N 2.88Å; R797-N801 VanDerWaalsContact O-CG 3.25Å; R797-N801 PolarHBondContact O-N 2.8Å; R797-N801 PolarHBondContact O-OD1 3.23Å
798	Y	90.6	Very high	82.8	Confident	63 Å²	63	60.7 Å²	60.7	25%	0.247	31%	0.314	C	S	.	.	H	α-helix	trans	-61	-43.1	174.8	179	-85.5	0	0	0	111.9	V779 Y780 H794 F795 Q796 S800 N801 A802 L823	V779-Y798 PolarHBondContact O-OH 3.49Å; Y780-Y798 AromaticContact CD2-CD1 3.67Å; Y780-Y798 HydrophobicContact CD2-CD1 3.67Å; Y780-Y798 AromaticContact CD2-CD2 3.73Å; Y780-Y798 HydrophobicContact CD2-CD2 3.73Å; Y780-Y798 HydrophobicContact CD2-CE1 4.05Å; Y780-Y798 HydrophobicContact CD2-CE2 4.06Å; Y780-Y798 AromaticContact CD2-CG 3.51Å; Y780-Y798 HydrophobicContact CD2-CG 3.51Å; Y780-Y798 HydrophobicContact CE2-CD2 4.31Å; Y780-Y798 HydrophobicContact CE2-CG 4.03Å; Y780-Y798 HydrophobicContact CG-CD1 4.36Å; Y780-Y798 HydrophobicContact CG-CE1 4.43Å; H794-Y798 PolarHBondContact O-N 3.3Å; F795-Y798 WeakPolarHBondContact O-CB 3.18Å; F795-Y798 PolarHBondContact O-N 2.83Å; F795-Y798 VanDerWaalsContact O-N 3.17Å; Q796-Y798 VanDerWaalsContact C-N 3.33Å; Q796-Y798 PolarHBondContact O-N 3.44Å; Y798-S800 VanDerWaalsContact C-N 3.35Å; Y798-S800 PolarHBondContact O-N 3.22Å; Y798-N801 PolarHBondContact O-N 2.84Å; Y798-A802 HydrophobicContact CE1-CB 4.31Å; Y798-A802 VanDerWaalsContact O-CB 3.28Å; Y798-A802 WeakPolarHBondContact O-CB 3.21Å; Y798-A802 PolarHBondContact O-N 3.13Å; Y798-L823 HydrophobicContact CE1-CD1 3.81Å; Y798-L823 HydrophobicContact CE1-CD2 4.48Å
799	L	90.7	Very high	83	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-61.4	-42.6	177.1	-67.1	175.8	0	0	0	112.1	I749 F795 Q796 R797 A802 L803 L823 L840 V848 F852	I749-L799 HydrophobicContact CD1-CD2 4.31Å; F795-L799 HydrophobicContact CD1-CD1 4.18Å; F795-L799 HydrophobicContact CE1-CD1 3.74Å; F795-L799 HydrophobicContact CE1-CG 4.38Å; F795-L799 HydrophobicContact CE2-CD2 4.25Å; F795-L799 HydrophobicContact CE2-CG 4.34Å; F795-L799 HydrophobicContact CZ-CD1 3.93Å; F795-L799 HydrophobicContact CZ-CD2 4.12Å; F795-L799 HydrophobicContact CZ-CG 4.19Å; F795-L799 WeakPolarHBondContact O-CG 3.46Å; F795-L799 PolarHBondContact O-N 3.37Å; Q796-L799 PolarHBondContact O-N 3.19Å; R797-L799 PolarHBondContact O-N 3.2Å; L799-A802 PolarHBondContact O-N 3.06Å; L799-L803 PolarHBondContact O-N 2.98Å; L799-L823 HydrophobicContact CD2-CD2 3.57Å; L799-L840 HydrophobicContact CD1-CD1 3.54Å; L799-V848 HydrophobicContact CB-CG1 4.03Å; L799-F852 HydrophobicContact CB-CE2 4.06Å; L799-F852 HydrophobicContact CB-CZ 4.44Å; L799-F852 HydrophobicContact CD2-CD1 4.25Å; L799-F852 HydrophobicContact CD2-CD2 4.33Å; L799-F852 HydrophobicContact CD2-CE1 4.06Å; L799-F852 HydrophobicContact CD2-CE2 4.18Å; L799-F852 HydrophobicContact CD2-CG 4.4Å; L799-F852 HydrophobicContact CD2-CZ 4.05Å
800	S	90.4	Very high	82.7	Confident	28 Å²	28	63.8 Å²	63.8	20%	0.196	33%	0.33	C	S	.	.	H	α-helix	trans	-59.5	-50.7	175.2	-62	0	0	0	0	111.1	Q796 R797 Y798 A802 L803 E804 H843	Q796-S800 PolarHBondContact O-N 3.44Å; Q796-S800 PolarHBondContact O-OG 3.4Å; R797-S800 PolarHBondContact O-N 2.88Å; Y798-S800 VanDerWaalsContact C-N 3.35Å; Y798-S800 PolarHBondContact O-N 3.22Å; S800-A802 VanDerWaalsContact C-N 3.32Å; S800-A802 PolarHBondContact O-N 3.49Å; S800-L803 PolarHBondContact O-N 3.25Å; S800-E804 WeakPolarHBondContact O-CG 3.49Å; S800-E804 PolarHBondContact O-N 3.36Å; S800-H843 PolarHBondContact OG-CE1 2.92Å; S800-H843 VanDerWaalsContact OG-CE1 3.24Å; S800-H843 PolarHBondContact OG-NE2 3.04Å; S800-H843 VanDerWaalsContact OG-NE2 3.09Å
801	N	88.5	Confident	81.3	Confident	82 Å²	82	66.3 Å²	66.3	44%	0.439	36%	0.356	S	S	.	.	H	α-helix	trans	-61.9	-38.3	177.8	-67	-9.9	0	0	0	112.5	R797 Y798 E804 A805	R797-N801 VanDerWaalsContact O-CG 3.25Å; R797-N801 PolarHBondContact O-N 2.8Å; R797-N801 PolarHBondContact O-OD1 3.23Å; Y798-N801 PolarHBondContact O-N 2.84Å; N801-E804 PolarHBondContact O-N 2.83Å; N801-A805 VanDerWaalsContact O-CB 3.31Å; N801-A805 WeakPolarHBondContact O-CB 3.37Å; N801-A805 PolarHBondContact O-N 2.82Å
802	A	86.3	Confident	79.9	Confident	9 Å²	9	73.5 Å²	73.5	7%	0.074	38%	0.38	C	S	.	.	H	α-helix	trans	-65.2	-40.9	178.7	0	0	0	0	0	111.5	M778 Y798 L799 S800 A805 Q806 F852	M778-A802 HydrophobicContact CE-CB 4.28Å; M778-A802 HydrophobicContact SD-CB 4.11Å; Y798-A802 HydrophobicContact CE1-CB 4.31Å; Y798-A802 VanDerWaalsContact O-CB 3.28Å; Y798-A802 WeakPolarHBondContact O-CB 3.21Å; Y798-A802 PolarHBondContact O-N 3.13Å; L799-A802 PolarHBondContact O-N 3.06Å; S800-A802 VanDerWaalsContact C-N 3.32Å; S800-A802 PolarHBondContact O-N 3.49Å; A802-A805 PolarHBondContact O-N 3.46Å; A802-Q806 PolarHBondContact O-N 3Å; A802-Q806 VanDerWaalsContact O-N 3.08Å; A802-F852 HydrophobicContact CB-CZ 4.36Å
803	L	85.7	Confident	78	Confident	15 Å²	15	78.2 Å²	78.2	8%	0.079	40%	0.395	C	S	.	.	H	α-helix	trans	-67	-45.2	176	-173.8	63.9	0	0	0	111.7	L799 S800 A805 Q806 Q807 V848 F852	L799-L803 PolarHBondContact O-N 2.98Å; S800-L803 PolarHBondContact O-N 3.25Å; L803-A805 VanDerWaalsContact C-N 3.33Å; L803-A805 PolarHBondContact O-N 2.89Å; L803-Q806 WeakPolarHBondContact O-CB 3.31Å; L803-Q806 PolarHBondContact O-N 2.98Å; L803-Q806 VanDerWaalsContact O-N 3.15Å; L803-Q807 WeakPolarHBondContact O-CG 3.36Å; L803-Q807 PolarHBondContact O-N 2.98Å; L803-V848 HydrophobicContact CD2-CB 4.31Å; L803-V848 HydrophobicContact CD2-CG2 3.87Å; L803-F852 HydrophobicContact CB-CE2 4.22Å; L803-F852 HydrophobicContact CB-CZ 4.43Å
804	E	83.9	Confident	75.9	Confident	111 Å²	111	80.5 Å²	80.5	52%	0.519	41%	0.407	S	S	.	.	H	α-helix	trans	-58.8	-44.2	175.4	-73.2	-178.8	-174.3	0	0	111.7	S800 N801 Q806 Q807 N808	S800-E804 WeakPolarHBondContact O-CG 3.49Å; S800-E804 PolarHBondContact O-N 3.36Å; N801-E804 PolarHBondContact O-N 2.83Å; E804-Q806 VanDerWaalsContact C-N 3.28Å; E804-Q806 PolarHBondContact O-N 2.82Å; E804-Q807 PolarHBondContact O-N 3.39Å; E804-N808 VanDerWaalsContact O-CB 3.32Å; E804-N808 WeakPolarHBondContact O-CB 3.35Å; E804-N808 VanDerWaalsContact O-CG 3.31Å; E804-N808 PolarHBondContact O-N 3.46Å; E804-N808 PolarHBondContact O-ND2 3.49Å; E804-N808 VanDerWaalsContact O-ND2 3.13Å
805	A	80.1	Confident	73.7	Confident	41 Å²	41	80.6 Å²	80.6	34%	0.339	42%	0.421	S	S	.	.	H	α-helix	trans	-63.3	-33.8	177.4	0	0	0	0	0	112.5	N801 A802 L803 R809	N801-A805 VanDerWaalsContact O-CB 3.31Å; N801-A805 WeakPolarHBondContact O-CB 3.37Å; N801-A805 PolarHBondContact O-N 2.82Å; A802-A805 PolarHBondContact O-N 3.46Å; L803-A805 VanDerWaalsContact C-N 3.33Å; L803-A805 PolarHBondContact O-N 2.89Å; A805-R809 WeakPolarHBondContact O-CB 3.49Å; A805-R809 WeakPolarHBondContact O-CD 3.26Å; A805-R809 WeakPolarHBondContact O-CG 3.43Å; A805-R809 PolarHBondContact O-N 3.44Å
806	Q	75.4	Confident	71.5	Confident	56 Å²	56	90.5 Å²	90.5	26%	0.262	46%	0.46	S	S	.	.	H	α-helix	trans	-70.3	-47.9	174.1	179	177.5	-20.2	0	0	111.7	A802 L803 E804 R809 S810	A802-Q806 PolarHBondContact O-N 3Å; A802-Q806 VanDerWaalsContact O-N 3.08Å; L803-Q806 WeakPolarHBondContact O-CB 3.31Å; L803-Q806 PolarHBondContact O-N 2.98Å; L803-Q806 VanDerWaalsContact O-N 3.15Å; E804-Q806 VanDerWaalsContact C-N 3.28Å; E804-Q806 PolarHBondContact O-N 2.82Å; Q806-R809 PolarHBondContact O-N 3Å; Q806-S810 PolarHBondContact O-N 2.85Å
807	Q	74	Confident	69.4	Low	110 Å²	110	95.4 Å²	95.4	51%	0.514	49%	0.486	S	S	.	.	H	α-helix	trans	-61.1	-47.4	179.6	-71.5	177	-4.4	0	0	111.4	L803 E804 R809 S810	L803-Q807 WeakPolarHBondContact O-CG 3.36Å; L803-Q807 PolarHBondContact O-N 2.98Å; E804-Q807 PolarHBondContact O-N 3.39Å; Q807-R809 PolarHBondContact O-N 3.46Å; Q807-S810 PolarHBondContact O-N 3.39Å; Q807-S810 PolarHBondContact O-OG 2.99Å
808	N	68.8	Low	67.6	Low	112 Å²	112	97.8 Å²	97.8	60%	0.599	50%	0.495	S	S	*	.	H	α-helix	trans	-63.3	-26.9	178.7	-74.4	-35.3	0	0	0	113.7	E804	E804-N808 VanDerWaalsContact O-CB 3.32Å; E804-N808 WeakPolarHBondContact O-CB 3.35Å; E804-N808 VanDerWaalsContact O-CG 3.31Å; E804-N808 PolarHBondContact O-N 3.46Å; E804-N808 PolarHBondContact O-ND2 3.49Å; E804-N808 VanDerWaalsContact O-ND2 3.13Å
809	R	63.3	Low	66.2	Low	119 Å²	119	99.4 Å²	99.4	45%	0.449	50%	0.503	S	S	.	.	H	α-helix	trans	-85.8	-32.2	177.4	-74.5	174.6	178.3	171	1.7	112.9	A805 Q806 Q807 A811 R812 Q813	A805-R809 WeakPolarHBondContact O-CB 3.49Å; A805-R809 WeakPolarHBondContact O-CD 3.26Å; A805-R809 WeakPolarHBondContact O-CG 3.43Å; A805-R809 PolarHBondContact O-N 3.44Å; Q806-R809 PolarHBondContact O-N 3Å; Q807-R809 PolarHBondContact O-N 3.46Å; R809-A811 PolarHBondContact O-N 3.47Å; R809-R812 PolarHBondContact O-N 3.41Å; R809-Q813 PolarHBondContact O-N 3.3Å
810	S	56.3	Low	65.2	Low	84 Å²	84	103.5 Å²	103.5	59%	0.587	52%	0.521	S	S	*	.	H	α-helix	trans	-60	-31.7	177.5	72.6	0	0	0	0	112.9	Q806 Q807 R812	Q806-S810 PolarHBondContact O-N 2.85Å; Q807-S810 PolarHBondContact O-N 3.39Å; Q807-S810 PolarHBondContact O-OG 2.99Å; S810-R812 VanDerWaalsContact C-N 3.3Å; S810-R812 PolarHBondContact O-N 2.88Å
811	A	53.3	Low	64.6	Low	84 Å²	84	103.6 Å²	103.6	69%	0.694	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-19	174.8	0	0	0	0	0	114.4	R809	R809-A811 PolarHBondContact O-N 3.47Å
812	R	54.1	Low	64.5	Low	224 Å²	224	101 Å²	101	85%	0.845	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-11.7	-173.5	-74.3	-176.4	175.8	173.7	0.3	115.2	R809 S810	R809-R812 PolarHBondContact O-N 3.41Å; S810-R812 VanDerWaalsContact C-N 3.3Å; S810-R812 PolarHBondContact O-N 2.88Å
813	Q	46.6	Very low	64.6	Low	143 Å²	143	100.6 Å²	100.6	67%	0.668	50%	0.501	S	S	*	.			trans	-136.1	48.7	-172.6	-82.7	-176.6	-25	0	0	113.8	R809 A815	R809-Q813 PolarHBondContact O-N 3.3Å; Q813-A815 PolarHBondContact O-N 3.01Å; Q813-A815 VanDerWaalsContact O-N 3.14Å
814	S	44.5	Very low	64.9	Low	120 Å²	120	99.9 Å²	99.9	84%	0.839	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	12.8	-178.9	50.5	0	0	0	0	116.2
815	A	43.1	Very low	65.3	Low	83 Å²	83	94.6 Å²	94.6	69%	0.686	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	-18	-171	0	0	0	0	0	117.4	Q813	Q813-A815 PolarHBondContact O-N 3.01Å; Q813-A815 VanDerWaalsContact O-N 3.14Å
816	Y	44	Very low	65.8	Low	210 Å²	210	92.9 Å²	92.9	82%	0.824	46%	0.458	S	S	*	.	S	Bend	trans	-144.4	113.3	-176.8	-95.3	-95.4	0	0	0	112.9
817	I	47.7	Very low	66.3	Low	132 Å²	132	90.2 Å²	90.2	68%	0.677	45%	0.446	S	S	*	.			trans	66.1	97.2	164.2	-43.5	176.1	0	0	0	116.1	K819	I817-K819 HydrophobicContact CG2-CG 3.8Å; I817-K819 PolarHBondContact O-N 2.96Å
818	R	53.3	Low	66.6	Low	228 Å²	228	87 Å²	87	86%	0.86	43%	0.43	S	S	*	.			trans	-67.3	73	164.4	-111.5	-177.9	167.6	171.1	-7.4	110.4	D745	D745-R818 IonicContact OD2-NH2 3.69Å
819	K	60.6	Low	67.4	Low	97 Å²	97	81.8 Å²	81.8	42%	0.422	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-74.1	127.3	166.1	-82.4	-174.1	175.9	-170.8	0	108.7	K772 E773 I817 T821	K772-K819 PolarHBondContact O-NZ 2.91Å; K772-K819 VanDerWaalsContact O-NZ 3.12Å; E773-K819 PolarHBondContact O-NZ 2.95Å; I817-K819 HydrophobicContact CG2-CG 3.8Å; I817-K819 PolarHBondContact O-N 2.96Å; K819-T821 PolarHBondContact O-N 3.43Å
820	K	68.7	Low	68.5	Low	86 Å²	86	76.5 Å²	76.5	37%	0.374	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-56.9	132.9	173	-82.7	-176.4	173.2	-178.8	0	109.5	G775 R776 E939	G775-K820 VanDerWaalsContact CA-O 3.27Å; G775-K820 WeakPolarHBondContact CA-O 3.47Å; R776-K820 PolarHBondContact N-O 2.9Å; R776-K820 VanDerWaalsContact N-O 3.16Å; K820-E939 IonicContact NZ-OE1 3.59Å; K820-E939 PolarHBondContact NZ-OE1 3.49Å; K820-E939 IonicContact NZ-OE2 2.82Å; K820-E939 PolarHBondContact NZ-OE2 2.89Å
821	T	78.3	Confident	70	Confident	30 Å²	30	73 Å²	73	18%	0.184	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	132.5	174.4	-51.9	0	0	0	0	109	R776 M778 K819	R776-T821 WeakPolarHBondContact O-CA 3.36Å; M778-T821 HydrophobicContact CE-CG2 3.71Å; M778-T821 HydrophobicContact CG-CG2 4.12Å; M778-T821 HydrophobicContact SD-CG2 4.09Å; K819-T821 PolarHBondContact O-N 3.43Å
822	R	86.4	Confident	71.8	Confident	27 Å²	27	69 Å²	69	10%	0.102	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.6	176	-72.2	-178.7	168.8	-117	7.3	110.1	I748 R776 W777 M778 L937 E939	I748-R822 HydrophobicContact CB-CG 4.5Å; R776-R822 PolarHBondContact O-N 3.2Å; W777-R822 WeakPolarHBondContact CA-O 3.42Å; W777-R822 HydrophobicContact CE3-CB 4.04Å; W777-R822 HydrophobicContact CZ3-CB 4.02Å; M778-R822 PolarHBondContact N-O 3.23Å; R822-L937 PolarHBondContact NH1-O 3.44Å; R822-L937 PolarHBondContact NH2-O 3.45Å; R822-E939 IonicContact CZ-OE1 2.81Å; R822-E939 IonicContact NH2-OE1 3.39Å; R822-E939 PolarHBondContact NH2-OE1 2.81Å
823	L	89.9	Confident	73.6	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	122.7	174.7	174.8	60.5	0	0	0	109.1	V747 I748 I749 S750 M778 Y798 L799 V825 F852	V747-L823 HydrophobicContact CG1-CB 4.06Å; I748-L823 PolarHBondContact O-N 3.02Å; I749-L823 CarbonylContact C-O 3.5Å; I749-L823 VanDerWaalsContact CA-O 3.29Å; I749-L823 WeakPolarHBondContact CA-O 3.28Å; I749-L823 HydrophobicContact CD1-CD2 4.1Å; I749-L823 HydrophobicContact CG1-CB 4.28Å; I749-L823 HydrophobicContact CG1-CD2 4.1Å; S750-L823 PolarHBondContact N-O 3.26Å; M778-L823 HydrophobicContact CB-CD1 3.72Å; M778-L823 HydrophobicContact CE-CB 4.2Å; M778-L823 CarbonylContact O-C 3.46Å; M778-L823 WeakPolarHBondContact O-CA 3.42Å; Y798-L823 HydrophobicContact CE1-CD1 3.81Å; Y798-L823 HydrophobicContact CE1-CD2 4.48Å; L799-L823 HydrophobicContact CD2-CD2 3.57Å; L823-V825 HydrophobicContact CD2-CG2 4.22Å; L823-V825 HydrophobicContact CG-CG2 4.06Å; L823-F852 HydrophobicContact CD2-CD1 4.42Å; L823-F852 HydrophobicContact CD2-CE1 4.09Å
824	L	90.6	Very high	75.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.1	171.4	-162.9	83.8	0	0	0	108.9	S750 V752 C764 W777 M778 V779 Y780 V826	S750-L824 WeakPolarHBondContact O-CA 3.3Å; V752-L824 HydrophobicContact CG2-CD1 4.06Å; C764-L824 HydrophobicContact CB-CD2 3.6Å; C764-L824 WeakPolarHBondContact SG-CD2 3.24Å; W777-L824 HydrophobicContact CE3-CB 4.41Å; W777-L824 HydrophobicContact CZ3-CD1 4.3Å; M778-L824 PolarHBondContact O-N 3.19Å; V779-L824 CarbonylContact C-O 3.53Å; V779-L824 WeakPolarHBondContact CA-O 3.3Å; V779-L824 HydrophobicContact CG2-CB 4.47Å; Y780-L824 PolarHBondContact N-O 2.89Å; L824-V826 HydrophobicContact CD2-CG2 3.88Å; L824-V826 HydrophobicContact CG-CG2 4.28Å
825	V	92.1	Very high	78	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	111.9	178.4	176.2	0	0	0	0	107.6	I749 S750 I751 V752 Y780 F795 L823 L827 V836	I749-V825 HydrophobicContact CG2-CB 4.41Å; I749-V825 HydrophobicContact CG2-CG2 3.61Å; S750-V825 PolarHBondContact O-N 2.98Å; I751-V825 WeakPolarHBondContact CA-O 3.17Å; I751-V825 HydrophobicContact CG1-CB 4.21Å; I751-V825 HydrophobicContact CG2-CG1 4.44Å; V752-V825 PolarHBondContact N-O 3.46Å; Y780-V825 HydrophobicContact CD1-CG1 3.93Å; F795-V825 HydrophobicContact CE2-CG1 4.19Å; F795-V825 HydrophobicContact CE2-CG2 3.89Å; F795-V825 HydrophobicContact CZ-CG2 4.24Å; L823-V825 HydrophobicContact CD2-CG2 4.22Å; L823-V825 HydrophobicContact CG-CG2 4.06Å; V825-L827 HydrophobicContact CG1-CD1 4.33Å; V825-L827 HydrophobicContact CG1-CD2 4.15Å; V825-L827 HydrophobicContact CG1-CG 4.06Å; V825-V836 HydrophobicContact CG1-CG1 4.47Å
826	V	90.3	Very high	80.3	Confident	5 Å²	5	44.5 Å²	44.5	3%	0.03	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	118.3	-179.4	-173.6	0	0	0	0	109.4	V752 C764 V779 Y780 L824 Q828	V752-V826 WeakPolarHBondContact O-CA 3.46Å; C764-V826 HydrophobicContact CB-CG2 3.7Å; V779-V826 HydrophobicContact CG1-CG2 4.37Å; Y780-V826 PolarHBondContact O-N 2.66Å; L824-V826 HydrophobicContact CD2-CG2 3.88Å; L824-V826 HydrophobicContact CG-CG2 4.28Å; V826-Q828 HydrophobicContact CG1-CG 4.35Å
827	L	87.2	Confident	82.7	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	120.8	180	-56.8	168.5	0	0	0	108	I751 V752 T753 G754 Y780 F790 V825 V836	I751-L827 HydrophobicContact CG2-CD1 3.97Å; V752-L827 PolarHBondContact O-N 3.31Å; T753-L827 CarbonylContact C-O 3.57Å; T753-L827 WeakPolarHBondContact CA-O 3.47Å; G754-L827 PolarHBondContact N-O 3.21Å; Y780-L827 HydrophobicContact CE1-CD2 4.46Å; F790-L827 HydrophobicContact CD2-CD2 4.08Å; F790-L827 HydrophobicContact CE2-CD2 4.36Å; V825-L827 HydrophobicContact CG1-CD1 4.33Å; V825-L827 HydrophobicContact CG1-CD2 4.15Å; V825-L827 HydrophobicContact CG1-CG 4.06Å; L827-V836 HydrophobicContact CD1-CB 4.26Å; L827-V836 HydrophobicContact CD1-CG1 4.27Å; L827-V836 HydrophobicContact CD1-CG2 3.35Å; L827-V836 HydrophobicContact CD2-CG2 4.39Å
828	Q	80.3	Confident	84.9	Confident	41 Å²	41	28.8 Å²	28.8	19%	0.192	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	115.9	176.7	-70.5	-171.8	-36.6	0	0	107.6	A760 S761 Q782 M784 V826	A760-Q828 HydrophobicContact CB-CG 4.23Å; S761-Q828 VanDerWaalsContact N-NE2 3.12Å; S761-Q828 VanDerWaalsContact OG-CD 3.3Å; S761-Q828 PolarHBondContact OG-NE2 3.07Å; S761-Q828 VanDerWaalsContact OG-NE2 3.15Å; S761-Q828 PolarHBondContact OG-OE1 2.72Å; S761-Q828 VanDerWaalsContact OG-OE1 3.12Å; Q782-Q828 PolarHBondContact OE1-O 2.98Å; M784-Q828 HydrophobicContact CE-CB 4.41Å; V826-Q828 HydrophobicContact CG1-CG 4.35Å
829	G	84.4	Confident	86.8	Confident	4 Å²	4	18 Å²	18	4%	0.041	9%	0.087	C	C	.	.	S	Bend	trans	150.8	-164.2	-174.3	0	0	0	0	0	113.1	G754 T831 Q880	G754-G829 PolarHBondContact O-N 2.89Å; G754-G829 VanDerWaalsContact O-N 3.08Å; G829-T831 VanDerWaalsContact C-N 3.3Å; G829-T831 PolarHBondContact O-N 3.02Å; G829-Q880 PolarHBondContact O-NE2 2.99Å
830	Y	87.9	Confident	88.3	Confident	7 Å²	7	13.7 Å²	13.7	3%	0.027	7%	0.068	C	C	.	.	S	Bend	trans	-97.8	31.2	179.8	-54.2	-73.8	0	0	0	112	L755 P756 F874 P875 K876 M972 I1068	L755-Y830 HydrophobicContact CD2-CD1 3.79Å; L755-Y830 HydrophobicContact CD2-CE1 3.91Å; P756-Y830 HydrophobicContact CG-CE2 4.12Å; Y830-F874 HydrophobicContact CE1-CB 4.17Å; Y830-F874 AromaticContact CE1-CD1 3.83Å; Y830-F874 HydrophobicContact CE1-CD1 3.83Å; Y830-F874 HydrophobicContact CE1-CG 4.38Å; Y830-F874 WeakPolarHBondContact OH-CD1 3.29Å; Y830-P875 HydrophobicContact CD1-CB 3.99Å; Y830-P875 HydrophobicContact CD1-CG 4.1Å; Y830-P875 WeakPolarHBondContact CD1-O 3.26Å; Y830-P875 HydrophobicContact CE1-CG 4.3Å; Y830-P875 HydrophobicContact CG-CB 4.44Å; Y830-K876 VanDerWaalsContact O-CG 3.29Å; Y830-K876 WeakPolarHBondContact O-CG 3.36Å; Y830-M972 HydrophobicContact CD2-CB 3.63Å; Y830-M972 HydrophobicContact CD2-CG 3.69Å; Y830-M972 HydrophobicContact CE1-CG 4.27Å; Y830-M972 HydrophobicContact CE2-CB 3.56Å; Y830-M972 HydrophobicContact CE2-CG 3.4Å; Y830-M972 HydrophobicContact CE2-SD 4.06Å; Y830-M972 HydrophobicContact CG-CB 4.48Å; Y830-M972 HydrophobicContact CG-CG 4.22Å; Y830-I1068 HydrophobicContact CE2-CG2 3.78Å
831	T	88	Confident	89.3	Confident	10 Å²	10	11.2 Å²	11.2	6%	0.061	6%	0.058	C	C	.	.			trans	-83.7	136.5	179.7	-57.2	0	0	0	0	110.2	C789 F790 G829 V836 Q880	C789-T831 WeakPolarHBondContact CB-OG1 3.42Å; C789-T831 PolarHBondContact O-OG1 3.07Å; F790-T831 HydrophobicContact CB-CG2 3.49Å; F790-T831 VanDerWaalsContact CB-CG2 3.49Å; F790-T831 HydrophobicContact CD1-CG2 4.33Å; F790-T831 HydrophobicContact CG-CG2 3.95Å; G829-T831 VanDerWaalsContact C-N 3.3Å; G829-T831 PolarHBondContact O-N 3.02Å; T831-V836 HydrophobicContact CG2-CG2 4.46Å; T831-Q880 PolarHBondContact O-NE2 3.33Å
832	D	90.3	Very high	90	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.011	7%	0.066	C	C	.	.			trans	-79	136	170.7	-164.6	-32.7	0	0	0	110.4	R125 I834 D835 A965	R125-D832 IonicContact CZ-OD2 3.46Å; R125-D832 IonicContact NH1-OD2 2.91Å; R125-D832 PolarHBondContact NH1-OD2 2.63Å; D832-I834 HydrophobicContact CB-CG2 4.21Å; D832-I834 PolarHBondContact O-N 3.47Å; D832-I834 WeakPolarHBondContact OD1-CG2 3.45Å; D832-I834 PolarHBondContact OD1-N 3.25Å; D832-D835 PolarHBondContact O-N 3.04Å; D832-A965 HydrophobicContact CB-CB 3.74Å
833	V	91.1	Very high	90.3	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-65.7	-27.5	-178.4	-174	0	0	0	0	111.6	T753 D835 V836 V837 I857	T753-V833 HydrophobicContact CG2-CG2 3.63Å; V833-D835 PolarHBondContact O-N 2.82Å; V833-V836 PolarHBondContact O-N 3.49Å; V833-V837 HydrophobicContact CG1-CG2 4.43Å; V833-V837 WeakPolarHBondContact O-CG2 3.48Å; V833-V837 PolarHBondContact O-N 3.12Å; V833-V837 VanDerWaalsContact O-N 3.15Å; V833-I857 HydrophobicContact CG1-CD1 3.63Å; V833-I857 HydrophobicContact CG1-CG2 3.81Å
834	I	92.5	Very high	90.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.1	-35.1	179.5	-162.4	73.5	0	0	0	112	D832 V836 V837 Q838 L885 Y955 W958 L963 A965	D832-I834 HydrophobicContact CB-CG2 4.21Å; D832-I834 PolarHBondContact O-N 3.47Å; D832-I834 WeakPolarHBondContact OD1-CG2 3.45Å; D832-I834 PolarHBondContact OD1-N 3.25Å; I834-V836 VanDerWaalsContact C-N 3.26Å; I834-V836 PolarHBondContact O-N 2.88Å; I834-V837 PolarHBondContact O-N 2.8Å; I834-Q838 HydrophobicContact CG1-CG 4.29Å; I834-Q838 WeakPolarHBondContact O-CB 3.47Å; I834-Q838 WeakPolarHBondContact O-CG 3.17Å; I834-Q838 PolarHBondContact O-N 3.36Å; I834-L885 HydrophobicContact CB-CD1 3.86Å; I834-L885 HydrophobicContact CD1-CD1 3.78Å; I834-L885 HydrophobicContact CD1-CD2 3.56Å; I834-L885 HydrophobicContact CD1-CG 4.29Å; I834-L885 HydrophobicContact CG1-CD1 4.38Å; I834-Y955 HydrophobicContact CD1-CD1 4.49Å; I834-Y955 HydrophobicContact CD1-CD2 4.38Å; I834-Y955 HydrophobicContact CD1-CG 4.14Å; I834-W958 HydrophobicContact CD1-CB 4.07Å; I834-L963 HydrophobicContact CG1-CD2 3.8Å; I834-L963 HydrophobicContact CG2-CD2 4.16Å; I834-A965 HydrophobicContact CG2-CB 4.15Å
835	D	91.4	Very high	90.3	Very high	53 Å²	53	20.4 Å²	20.4	28%	0.283	12%	0.115	S	C	.	.	H	α-helix	trans	-63.3	-35.6	179.8	-67.4	-35	0	0	0	111.6	F790 D832 V833 A839 A965	F790-D835 HydrophobicContact CD1-CB 4.29Å; F790-D835 HydrophobicContact CE1-CB 4.37Å; D832-D835 PolarHBondContact O-N 3.04Å; V833-D835 PolarHBondContact O-N 2.82Å; D835-A839 VanDerWaalsContact O-CB 3.23Å; D835-A839 WeakPolarHBondContact O-CB 3.26Å; D835-A839 PolarHBondContact O-N 3.24Å; D835-A965 VanDerWaalsContact OD1-CB 3.29Å; D835-A965 WeakPolarHBondContact OD1-CB 3.4Å; D835-A965 WeakPolarHBondContact OD2-CB 3.42Å
836	V	91.9	Very high	90	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.012	14%	0.144	C	C	.	.	H	α-helix	trans	-73.4	-41	178.5	-179	0	0	0	0	110.4	I751 F790 F795 V825 L827 T831 V833 I834 A839 L840	I751-V836 HydrophobicContact CD1-CG1 4.05Å; F790-V836 HydrophobicContact CD1-CG2 4.35Å; F790-V836 HydrophobicContact CD2-CG2 4.16Å; F790-V836 HydrophobicContact CE1-CG2 3.98Å; F790-V836 HydrophobicContact CE2-CG2 3.78Å; F790-V836 HydrophobicContact CG-CG2 4.44Å; F790-V836 HydrophobicContact CZ-CB 4.17Å; F790-V836 HydrophobicContact CZ-CG1 4.37Å; F790-V836 HydrophobicContact CZ-CG2 3.69Å; F795-V836 HydrophobicContact CE1-CG1 4.05Å; F795-V836 HydrophobicContact CZ-CG1 4.17Å; V825-V836 HydrophobicContact CG1-CG1 4.47Å; L827-V836 HydrophobicContact CD1-CB 4.26Å; L827-V836 HydrophobicContact CD1-CG1 4.27Å; L827-V836 HydrophobicContact CD1-CG2 3.35Å; L827-V836 HydrophobicContact CD2-CG2 4.39Å; T831-V836 HydrophobicContact CG2-CG2 4.46Å; V833-V836 PolarHBondContact O-N 3.49Å; I834-V836 VanDerWaalsContact C-N 3.26Å; I834-V836 PolarHBondContact O-N 2.88Å; V836-A839 PolarHBondContact O-N 3.01Å; V836-L840 PolarHBondContact O-N 3.09Å; V836-L840 VanDerWaalsContact O-N 3.12Å
837	V	93.9	Very high	89.8	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.2	-47.4	174.4	173.9	0	0	0	0	110.1	V833 I834 L840 Q841 I854 I857 F942 W958	V833-V837 HydrophobicContact CG1-CG2 4.43Å; V833-V837 WeakPolarHBondContact O-CG2 3.48Å; V833-V837 PolarHBondContact O-N 3.12Å; V833-V837 VanDerWaalsContact O-N 3.15Å; I834-V837 PolarHBondContact O-N 2.8Å; V837-L840 PolarHBondContact O-N 2.89Å; V837-Q841 WeakPolarHBondContact O-CG 3.45Å; V837-Q841 PolarHBondContact O-N 2.91Å; V837-I854 HydrophobicContact CG1-CD1 4.46Å; V837-I854 HydrophobicContact CG2-CD1 4.01Å; V837-I857 HydrophobicContact CG2-CD1 4.03Å; V837-F942 HydrophobicContact CG1-CZ 3.89Å; V837-F942 HydrophobicContact CG2-CE2 4.04Å; V837-F942 HydrophobicContact CG2-CZ 3.96Å; V837-W958 HydrophobicContact CG1-CE3 3.92Å; V837-W958 HydrophobicContact CG1-CZ3 3.81Å
838	Q	93.6	Very high	89.9	Confident	11 Å²	11	30 Å²	30	5%	0.051	17%	0.174	C	C	.	.	H	α-helix	trans	-61.1	-45.6	177	-76.1	175.6	-102.5	0	0	110.9	I834 L840 Q841 T842 W958 G961 L963	I834-Q838 HydrophobicContact CG1-CG 4.29Å; I834-Q838 WeakPolarHBondContact O-CB 3.47Å; I834-Q838 WeakPolarHBondContact O-CG 3.17Å; I834-Q838 PolarHBondContact O-N 3.36Å; Q838-L840 VanDerWaalsContact C-N 3.28Å; Q838-L840 PolarHBondContact O-N 3Å; Q838-Q841 PolarHBondContact O-N 3Å; Q838-T842 PolarHBondContact O-N 2.79Å; Q838-T842 PolarHBondContact O-OG1 3.28Å; Q838-W958 WeakPolarHBondContact CG-O 3.48Å; Q838-G961 PolarHBondContact NE2-O 3.25Å; Q838-L963 PolarHBondContact NE2-O 3.07Å; Q838-L963 PolarHBondContact OE1-O 3.05Å
839	A	92.6	Very high	90.3	Very high	3 Å²	3	30.4 Å²	30.4	3%	0.025	18%	0.175	C	C	.	.	H	α-helix	trans	-58.8	-36.1	178.1	0	0	0	0	0	113.2	F790 A792 F795 Q796 D835 V836	F790-A839 HydrophobicContact CE1-CB 4.24Å; F790-A839 HydrophobicContact CZ-CB 4.22Å; A792-A839 HydrophobicContact CB-CB 3.77Å; F795-A839 HydrophobicContact CD1-CB 4.03Å; Q796-A839 WeakPolarHBondContact CG-O 3.43Å; Q796-A839 PolarHBondContact NE2-O 2.96Å; D835-A839 VanDerWaalsContact O-CB 3.23Å; D835-A839 WeakPolarHBondContact O-CB 3.26Å; D835-A839 PolarHBondContact O-N 3.24Å; V836-A839 PolarHBondContact O-N 3.01Å
840	L	92.8	Very high	90.4	Very high	6 Å²	6	32.9 Å²	32.9	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-69.4	-43.8	172.2	179	67	0	0	0	111.8	I749 F795 L799 V836 V837 Q838 F852 I854	I749-L840 HydrophobicContact CD1-CD1 4.11Å; I749-L840 HydrophobicContact CD1-CD2 3.97Å; F795-L840 HydrophobicContact CE1-CB 4.41Å; L799-L840 HydrophobicContact CD1-CD1 3.54Å; V836-L840 PolarHBondContact O-N 3.09Å; V836-L840 VanDerWaalsContact O-N 3.12Å; V837-L840 PolarHBondContact O-N 2.89Å; Q838-L840 VanDerWaalsContact C-N 3.28Å; Q838-L840 PolarHBondContact O-N 3Å; L840-F852 HydrophobicContact CD1-CB 3.97Å; L840-I854 HydrophobicContact CD2-CD1 3.7Å; L840-I854 HydrophobicContact CD2-CG1 3.56Å
841	Q	91	Very high	90.4	Very high	33 Å²	33	34.1 Å²	34.1	15%	0.154	21%	0.205	C	C	.	.	H	α-helix	trans	-70.8	-31	-176	-69.2	-57.9	-23.9	0	0	113.8	V837 Q838 K849 W958	V837-Q841 WeakPolarHBondContact O-CG 3.45Å; V837-Q841 PolarHBondContact O-N 2.91Å; Q838-Q841 PolarHBondContact O-N 3Å; Q841-K849 WeakPolarHBondContact O-CD 3.23Å; Q841-K849 WeakPolarHBondContact O-CE 2.97Å; Q841-K849 PolarHBondContact O-NZ 3.16Å; Q841-W958 HydrophobicContact CG-CZ3 3.9Å
842	T	91.4	Very high	90.6	Very high	59 Å²	59	33.9 Å²	33.9	36%	0.362	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	19.5	-179.5	62.7	0	0	0	0	113.3	Q838	Q838-T842 PolarHBondContact O-N 2.79Å; Q838-T842 PolarHBondContact O-OG1 3.28Å
843	H	92.9	Very high	90.6	Very high	13 Å²	13	35.9 Å²	35.9	6%	0.06	22%	0.215	C	C	.	.			trans	-53.8	133.2	176.9	-168.7	-78.8	0	0	0	111	Q796 S800 D845 K849	Q796-H843 PolarHBondContact O-NE2 3.04Å; Q796-H843 VanDerWaalsContact O-NE2 3.11Å; S800-H843 PolarHBondContact OG-CE1 2.92Å; S800-H843 VanDerWaalsContact OG-CE1 3.24Å; S800-H843 PolarHBondContact OG-NE2 3.04Å; S800-H843 VanDerWaalsContact OG-NE2 3.09Å; H843-D845 VanDerWaalsContact C-N 3.29Å; H843-D845 PolarHBondContact ND1-N 2.95Å; H843-D845 PolarHBondContact ND1-O 3.38Å; H843-D845 PolarHBondContact O-N 3.31Å; H843-K849 HydrophobicContact CB-CB 4.34Å
844	P	90.8	Very high	90.7	Very high	110 Å²	110	36.2 Å²	36.2	71%	0.714	22%	0.217	S	C	*	.	S	Bend	trans	-64.2	-31.5	-174.8	23.7	-34.2	0	0	0	113.4
845	D	89.6	Confident	90.7	Very high	68 Å²	68	36.2 Å²	36.2	36%	0.364	22%	0.217	S	C	.	.			trans	-93.5	117.1	171	-172.5	-10.9	0	0	0	111.6	H843 N847 V848 K849	H843-D845 VanDerWaalsContact C-N 3.29Å; H843-D845 PolarHBondContact ND1-N 2.95Å; H843-D845 PolarHBondContact ND1-O 3.38Å; H843-D845 PolarHBondContact O-N 3.31Å; D845-N847 VanDerWaalsContact C-N 3.32Å; D845-N847 PolarHBondContact O-N 3.36Å; D845-N847 WeakPolarHBondContact OD1-CB 3.49Å; D845-N847 PolarHBondContact OD1-N 2.9Å; D845-V848 HydrophobicContact CB-CB 4.21Å; D845-V848 HydrophobicContact CB-CG2 3.85Å; D845-V848 PolarHBondContact O-N 3.23Å; D845-K849 PolarHBondContact O-N 2.83Å
846	S	86.7	Confident	90.8	Very high	87 Å²	87	33.7 Å²	33.7	61%	0.608	20%	0.203	S	C	*	.	H	α-helix	trans	-64.8	-31.5	177.6	-170.6	0	0	0	0	113.2	K849 A850	S846-K849 PolarHBondContact O-N 2.98Å; S846-A850 WeakPolarHBondContact O-CB 3.22Å; S846-A850 PolarHBondContact O-N 3.38Å
847	N	86.5	Confident	91	Very high	116 Å²	116	33.6 Å²	33.6	62%	0.62	20%	0.203	S	C	*	.	H	α-helix	trans	-67.6	-40.2	177.6	-64	-44.2	0	0	0	111.3	D845 A850 S851	D845-N847 VanDerWaalsContact C-N 3.32Å; D845-N847 PolarHBondContact O-N 3.36Å; D845-N847 WeakPolarHBondContact OD1-CB 3.49Å; D845-N847 PolarHBondContact OD1-N 2.9Å; N847-A850 PolarHBondContact O-N 3.37Å; N847-S851 PolarHBondContact O-N 3.37Å; N847-S851 PolarHBondContact O-OG 3.08Å
848	V	88.5	Confident	91.1	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.03	20%	0.203	C	C	.	.	H	α-helix	trans	-62.8	-50.7	174.8	178.7	0	0	0	0	109.3	L799 L803 D845 A850 S851 F852	L799-V848 HydrophobicContact CB-CG1 4.03Å; L803-V848 HydrophobicContact CD2-CB 4.31Å; L803-V848 HydrophobicContact CD2-CG2 3.87Å; D845-V848 HydrophobicContact CB-CB 4.21Å; D845-V848 HydrophobicContact CB-CG2 3.85Å; D845-V848 PolarHBondContact O-N 3.23Å; V848-A850 VanDerWaalsContact C-N 3.32Å; V848-A850 PolarHBondContact O-N 3.19Å; V848-S851 WeakPolarHBondContact O-CB 3.47Å; V848-S851 PolarHBondContact O-N 3.49Å; V848-F852 HydrophobicContact CG1-CD2 4.07Å; V848-F852 HydrophobicContact CG1-CE2 3.88Å; V848-F852 VanDerWaalsContact O-CD2 3.27Å; V848-F852 WeakPolarHBondContact O-CD2 3.46Å
849	K	88.1	Confident	91.3	Very high	49 Å²	49	33.1 Å²	33.1	21%	0.213	20%	0.201	C	C	.	.	H	α-helix	trans	-51.3	-49	175.5	179	-175.1	175.7	163.4	0	112.4	Q841 H843 D845 S846 S851 F852 Y959	Q841-K849 WeakPolarHBondContact O-CD 3.23Å; Q841-K849 WeakPolarHBondContact O-CE 2.97Å; Q841-K849 PolarHBondContact O-NZ 3.16Å; H843-K849 HydrophobicContact CB-CB 4.34Å; D845-K849 PolarHBondContact O-N 2.83Å; S846-K849 PolarHBondContact O-N 2.98Å; K849-S851 PolarHBondContact O-N 2.75Å; K849-F852 PolarHBondContact O-N 2.83Å; K849-Y959 PolarHBondContact NZ-OH 3.25Å
850	A	86.8	Confident	91.4	Very high	57 Å²	57	33.1 Å²	33.1	47%	0.471	20%	0.201	S	C	.	.	H	α-helix	trans	-66.1	-22.2	-178	0	0	0	0	0	113.5	K746 S846 N847 V848	K746-A850 WeakPolarHBondContact CE-O 3.38Å; S846-A850 WeakPolarHBondContact O-CB 3.22Å; S846-A850 PolarHBondContact O-N 3.38Å; N847-A850 PolarHBondContact O-N 3.37Å; V848-A850 VanDerWaalsContact C-N 3.32Å; V848-A850 PolarHBondContact O-N 3.19Å
851	S	88.8	Confident	91.4	Very high	32 Å²	32	33.2 Å²	33.2	22%	0.224	20%	0.201	C	C	.	.	H	α-helix	trans	-82.8	-15.6	-177.6	-59.9	0	0	0	0	114	V747 N847 V848 K849	V747-S851 PolarHBondContact N-O 3.48Å; N847-S851 PolarHBondContact O-N 3.37Å; N847-S851 PolarHBondContact O-OG 3.08Å; V848-S851 WeakPolarHBondContact O-CB 3.47Å; V848-S851 PolarHBondContact O-N 3.49Å; K849-S851 PolarHBondContact O-N 2.75Å
852	F	90.8	Very high	91.4	Very high	6 Å²	6	32.4 Å²	32.4	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	147.8	-178.2	-70.1	-80.5	0	0	0	111.5	V747 I749 L799 A802 L803 L823 L840 V848 K849	V747-F852 HydrophobicContact CB-CD1 3.63Å; V747-F852 HydrophobicContact CB-CE1 3.74Å; V747-F852 HydrophobicContact CG1-CD1 3.82Å; V747-F852 HydrophobicContact CG1-CE1 3.71Å; V747-F852 HydrophobicContact CG2-CD1 4.48Å; V747-F852 HydrophobicContact CG2-CE1 4.21Å; V747-F852 WeakPolarHBondContact O-CA 3.43Å; I749-F852 HydrophobicContact CD1-CB 3.86Å; I749-F852 HydrophobicContact CD1-CD1 3.88Å; I749-F852 HydrophobicContact CD1-CG 4.13Å; I749-F852 HydrophobicContact CG1-CB 4.37Å; I749-F852 HydrophobicContact CG1-CD1 4.01Å; L799-F852 HydrophobicContact CB-CE2 4.06Å; L799-F852 HydrophobicContact CB-CZ 4.44Å; L799-F852 HydrophobicContact CD2-CD1 4.25Å; L799-F852 HydrophobicContact CD2-CD2 4.33Å; L799-F852 HydrophobicContact CD2-CE1 4.06Å; L799-F852 HydrophobicContact CD2-CE2 4.18Å; L799-F852 HydrophobicContact CD2-CG 4.4Å; L799-F852 HydrophobicContact CD2-CZ 4.05Å; A802-F852 HydrophobicContact CB-CZ 4.36Å; L803-F852 HydrophobicContact CB-CE2 4.22Å; L803-F852 HydrophobicContact CB-CZ 4.43Å; L823-F852 HydrophobicContact CD2-CD1 4.42Å; L823-F852 HydrophobicContact CD2-CE1 4.09Å; L840-F852 HydrophobicContact CD1-CB 3.97Å; V848-F852 HydrophobicContact CG1-CD2 4.07Å; V848-F852 HydrophobicContact CG1-CE2 3.88Å; V848-F852 VanDerWaalsContact O-CD2 3.27Å; V848-F852 WeakPolarHBondContact O-CD2 3.46Å; K849-F852 PolarHBondContact O-N 2.83Å
853	T	91.5	Very high	91.2	Very high	44 Å²	44	29.6 Å²	29.6	27%	0.27	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	138.1	173.4	-73.2	0	0	0	0	109.9	K746 V747 I748 I749	K746-T853 WeakPolarHBondContact CD-OG1 3.46Å; V747-T853 PolarHBondContact O-N 3.24Å; I748-T853 CarbonylContact C-O 3.56Å; I748-T853 WeakPolarHBondContact CA-O 3.17Å; I749-T853 PolarHBondContact N-O 2.94Å
854	I	93.6	Very high	90.7	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	124.4	176.6	-59.3	170.7	0	0	0	108.5	I749 I751 V837 L840 I857 F942	I749-I854 HydrophobicContact CB-CG1 4.39Å; I751-I854 HydrophobicContact CD1-CD1 4.14Å; I751-I854 HydrophobicContact CD1-CG1 4.47Å; I751-I854 HydrophobicContact CD1-CG2 4.41Å; V837-I854 HydrophobicContact CG1-CD1 4.46Å; V837-I854 HydrophobicContact CG2-CD1 4.01Å; L840-I854 HydrophobicContact CD2-CD1 3.7Å; L840-I854 HydrophobicContact CD2-CG1 3.56Å; I854-I857 HydrophobicContact CG2-CD1 4.29Å; I854-I857 HydrophobicContact CG2-CG1 3.92Å; I854-F942 HydrophobicContact CB-CB 4.48Å; I854-F942 HydrophobicContact CB-CD1 3.73Å; I854-F942 HydrophobicContact CB-CD2 4.35Å; I854-F942 HydrophobicContact CB-CE1 3.86Å; I854-F942 HydrophobicContact CB-CE2 4.43Å; I854-F942 HydrophobicContact CB-CG 3.96Å; I854-F942 HydrophobicContact CB-CZ 4.17Å; I854-F942 HydrophobicContact CD1-CE1 3.91Å; I854-F942 HydrophobicContact CD1-CE2 4.14Å; I854-F942 HydrophobicContact CD1-CZ 3.59Å; I854-F942 HydrophobicContact CG1-CE1 4.41Å; I854-F942 HydrophobicContact CG1-CZ 4.46Å; I854-F942 HydrophobicContact CG2-CB 3.97Å; I854-F942 HydrophobicContact CG2-CD1 3.92Å; I854-F942 HydrophobicContact CG2-CD2 3.65Å; I854-F942 HydrophobicContact CG2-CE1 4.22Å; I854-F942 HydrophobicContact CG2-CE2 3.94Å; I854-F942 HydrophobicContact CG2-CG 3.59Å; I854-F942 HydrophobicContact CG2-CZ 4.19Å
855	G	91.8	Very high	90.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	-58.3	177	0	0	0	0	0	112.4	I749 S938 E939 S941 F942	I749-G855 PolarHBondContact O-N 3.35Å; G855-S938 CarbonylContact C-O 3.52Å; G855-S938 WeakPolarHBondContact CA-O 3.39Å; G855-E939 WeakPolarHBondContact CA-O 3.28Å; G855-S941 PolarHBondContact O-N 2.87Å; G855-F942 VanDerWaalsContact O-CB 3.3Å; G855-F942 WeakPolarHBondContact O-CB 3.41Å; G855-F942 PolarHBondContact O-N 2.93Å
856	A	94.2	Very high	90.3	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	153.7	-179	0	0	0	0	0	111.5	I751 I936 S938	I751-A856 PolarHBondContact N-O 3.49Å; I751-A856 VanDerWaalsContact N-O 3.09Å; A856-I936 WeakPolarHBondContact CB-O 3.39Å; A856-S938 PolarHBondContact N-O 3.15Å
857	I	96.1	Very high	90.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.6	175.6	-59.6	-166.4	0	0	0	108.2	I751 V833 V837 I854 L885 V886 S887 N888 F942	I751-I857 HydrophobicContact CB-CG1 4.13Å; I751-I857 HydrophobicContact CB-CG2 4.41Å; I751-I857 HydrophobicContact CD1-CD1 3.94Å; I751-I857 HydrophobicContact CD1-CG1 4.19Å; I751-I857 HydrophobicContact CG1-CG1 4.42Å; I751-I857 WeakPolarHBondContact O-CA 3.41Å; V833-I857 HydrophobicContact CG1-CD1 3.63Å; V833-I857 HydrophobicContact CG1-CG2 3.81Å; V837-I857 HydrophobicContact CG2-CD1 4.03Å; I854-I857 HydrophobicContact CG2-CD1 4.29Å; I854-I857 HydrophobicContact CG2-CG1 3.92Å; I857-L885 WeakPolarHBondContact CB-O 3.48Å; I857-V886 HydrophobicContact CG2-CB 4.48Å; I857-V886 HydrophobicContact CG2-CG2 3.98Å; I857-S887 PolarHBondContact N-OG 2.76Å; I857-S887 PolarHBondContact O-N 2.94Å; I857-S887 PolarHBondContact O-OG 3.45Å; I857-N888 PolarHBondContact O-N 3.35Å; I857-F942 HydrophobicContact CD1-CD2 3.7Å; I857-F942 HydrophobicContact CD1-CE2 3.4Å; I857-F942 HydrophobicContact CG1-CD2 3.85Å; I857-F942 HydrophobicContact CG1-CE2 4.08Å
858	T	96.3	Very high	90.7	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.006	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	124.2	-175.5	-58.4	0	0	0	0	110.2	I751 V752 T753 N888 V890 I936	I751-T858 PolarHBondContact O-N 2.7Å; V752-T858 CarbonylContact C-O 3.53Å; V752-T858 WeakPolarHBondContact CA-O 3.39Å; T753-T858 PolarHBondContact N-O 3.24Å; T858-N888 CarbonylContact C-O 3.55Å; T858-N888 WeakPolarHBondContact CA-O 3.38Å; T858-N888 HydrophobicContact CG2-CB 4.1Å; T858-N888 PolarHBondContact OG1-ND2 3.47Å; T858-V890 HydrophobicContact CG2-CB 4.32Å; T858-V890 HydrophobicContact CG2-CG2 3.38Å; T858-I936 HydrophobicContact CG2-CG1 4.2Å; T858-I936 HydrophobicContact CG2-CG2 4.49Å
859	A	96.3	Very high	90.7	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.008	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.4	175.1	0	0	0	0	0	110.2	T753 Q880 V886 N888 V889 V890	T753-A859 HydrophobicContact CG2-CB 4Å; T753-A859 CarbonylContact O-C 3.44Å; T753-A859 WeakPolarHBondContact O-CA 3.26Å; A859-Q880 WeakPolarHBondContact CB-O 3.21Å; A859-V886 HydrophobicContact CB-CG1 3.96Å; A859-N888 PolarHBondContact N-O 3.28Å; A859-V889 CarbonylContact O-C 3.45Å; A859-V889 WeakPolarHBondContact O-CA 2.98Å; A859-V890 PolarHBondContact O-N 3.16Å
860	C	94.8	Very high	90.8	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.02	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	125.5	173.1	-59.7	0	0	0	0	109	T753 C758 A760 V890 T892	T753-C860 PolarHBondContact O-N 3.12Å; C758-C860 HydrophobicContact CB-CB 3.95Å; C758-C860 WeakPolarHBondContact CB-O 3.39Å; C758-C860 WeakPolarHBondContact O-CB 3.31Å; A760-C860 HydrophobicContact CB-CB 4.06Å; C860-V890 CarbonylContact C-O 3.53Å; C860-V890 WeakPolarHBondContact CA-O 3.19Å; C860-T892 HydrophobicContact CB-CG2 4.35Å
861	V	93.8	Very high	91	Very high	7 Å²	7	16.3 Å²	16.3	4%	0.042	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	119.4	-175	177.8	0	0	0	0	108.1	P863 C866 V889 V890 F891 T892 I910	V861-P863 WeakPolarHBondContact O-CD 3.36Å; V861-C866 WeakPolarHBondContact CG1-SG 3.46Å; V861-V889 HydrophobicContact CB-CG1 4.34Å; V861-V889 HydrophobicContact CG2-CG1 3.72Å; V861-V890 PolarHBondContact N-O 3.42Å; V861-F891 HydrophobicContact CB-CD1 4.14Å; V861-F891 HydrophobicContact CB-CE1 4.27Å; V861-F891 HydrophobicContact CG1-CD1 4.09Å; V861-F891 HydrophobicContact CG1-CE1 4.03Å; V861-F891 WeakPolarHBondContact O-CA 3.48Å; V861-T892 PolarHBondContact O-N 3.27Å; V861-T892 PolarHBondContact O-OG1 2.76Å; V861-I910 HydrophobicContact CG1-CD1 4.17Å; V861-I910 HydrophobicContact CG2-CD1 4.12Å
862	E	89.6	Confident	91.2	Very high	16 Å²	16	15.3 Å²	15.3	8%	0.075	8%	0.075	C	C	.	.			trans	-101.2	103.9	174.7	175.4	47.4	-123.1	0	0	108.8	C758 H759 M864 S865 C866 T892 S893	C758-E862 HydrophobicContact CB-CB 4.47Å; H759-E862 IonicContact CD2-OE2 2.67Å; E862-M864 PolarHBondContact O-N 2.98Å; E862-S865 PolarHBondContact O-N 3.14Å; E862-C866 PolarHBondContact O-N 3.41Å; E862-C866 PolarHBondContact O-SG 3.29Å; E862-C866 VanDerWaalsContact O-SG 3.33Å; E862-T892 PolarHBondContact OE2-OG1 3.41Å; E862-S893 VanDerWaalsContact CD-OG 3.24Å; E862-S893 WeakPolarHBondContact OE1-CB 3.45Å; E862-S893 PolarHBondContact OE1-OG 3.15Å; E862-S893 VanDerWaalsContact OE2-CB 3.24Å; E862-S893 WeakPolarHBondContact OE2-CB 3.33Å; E862-S893 PolarHBondContact OE2-N 2.82Å; E862-S893 PolarHBondContact OE2-OG 2.94Å
863	P	87.7	Confident	91.3	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.006	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-49.1	-36.3	-172.8	-32.9	34.9	0	0	0	115.9	V861 S865 F891 S893 L903 L906	V861-P863 WeakPolarHBondContact O-CD 3.36Å; P863-S865 PolarHBondContact O-N 2.84Å; P863-F891 HydrophobicContact CG-CD1 4.46Å; P863-S893 WeakPolarHBondContact CD-OG 3.48Å; P863-L903 HydrophobicContact CG-CD1 4.09Å; P863-L906 VanDerWaalsContact CA-CD1 3.44Å; P863-L906 HydrophobicContact CB-CD1 3.75Å; P863-L906 HydrophobicContact CG-CD1 4.34Å
864	M	81.9	Confident	91.4	Very high	69 Å²	69	13.4 Å²	13.4	34%	0.34	6%	0.064	S	C	.	.	G	3₁₀ helix	trans	-78.3	-5.2	-178.8	-65.1	-57	-64	0	0	114	E862 H894 L902 A1032	E862-M864 PolarHBondContact O-N 2.98Å; M864-H894 WeakPolarHBondContact CG-CE1 3.39Å; M864-L902 HydrophobicContact SD-CD1 3.63Å; M864-A1032 HydrophobicContact CB-CB 4.13Å
865	S	83.8	Confident	91.3	Very high	3 Å²	3	13.2 Å²	13.2	2%	0.021	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-125.8	15.8	-173.9	-56.3	0	0	0	0	113	L755 E862 P863 F874 N1029	L755-S865 WeakPolarHBondContact CD1-O 3.33Å; E862-S865 PolarHBondContact O-N 3.14Å; P863-S865 PolarHBondContact O-N 2.84Å; S865-F874 WeakPolarHBondContact O-CD2 3.3Å; S865-N1029 PolarHBondContact OG-ND2 3.27Å
866	C	89.1	Confident	91.2	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.014	7%	0.065	C	C	.	.	S	Bend	trans	-88.7	-27.7	176.4	-67.1	0	0	0	0	113.3	V861 E862 L873 F874 L906	V861-C866 WeakPolarHBondContact CG1-SG 3.46Å; E862-C866 PolarHBondContact O-N 3.41Å; E862-C866 PolarHBondContact O-SG 3.29Å; E862-C866 VanDerWaalsContact O-SG 3.33Å; C866-L873 HydrophobicContact CB-CD2 4.42Å; C866-L873 CarbonylContact O-C 3.59Å; C866-L873 WeakPolarHBondContact O-CA 3.43Å; C866-L873 WeakPolarHBondContact O-CD2 3.31Å; C866-F874 PolarHBondContact O-N 2.87Å; C866-L906 HydrophobicContact CB-CD1 4.18Å; C866-L906 HydrophobicContact CB-CD2 3.84Å
867	Y	90.8	Very high	91.2	Very high	28 Å²	28	14.1 Å²	14.1	11%	0.11	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.5	-175	-61.1	-74.3	0	0	0	111.1	R871 F872 L873 F874 L906 L1031	Y867-R871 HydrophobicContact CE1-CB 4.44Å; Y867-F872 CarbonylContact C-O 3.54Å; Y867-F872 WeakPolarHBondContact CA-O 3.39Å; Y867-L873 HydrophobicContact CD1-CD2 3.67Å; Y867-L873 HydrophobicContact CD1-CG 4.37Å; Y867-L873 HydrophobicContact CE1-CD2 3.41Å; Y867-L873 VanDerWaalsContact CE1-CD2 3.41Å; Y867-L873 HydrophobicContact CE1-CG 4.2Å; Y867-F874 WeakPolarHBondContact O-CE2 3.49Å; Y867-L906 HydrophobicContact CE2-CD1 4.27Å; Y867-L906 HydrophobicContact CE2-CD2 3.7Å; Y867-L906 HydrophobicContact CE2-CG 3.93Å; Y867-L906 WeakPolarHBondContact OH-CD2 3.3Å; Y867-L1031 VanDerWaalsContact O-CD1 3.28Å; Y867-L1031 WeakPolarHBondContact O-CD1 3.26Å
868	M	90.7	Very high	91	Very high	10 Å²	10	14.8 Å²	14.8	5%	0.049	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-41.9	173.1	-65.8	-179	64.1	0	0	111.5	F872 F874 P970 M972 F1004 Y1009	M868-F872 HydrophobicContact CB-CD1 4.24Å; M868-F872 PolarHBondContact N-O 2.81Å; M868-F872 HydrophobicContact SD-CD1 4.16Å; M868-F872 HydrophobicContact SD-CE1 4.04Å; M868-F874 HydrophobicContact CB-CE2 4.49Å; M868-F874 HydrophobicContact CG-CB 4.43Å; M868-F874 HydrophobicContact CG-CD1 3.59Å; M868-F874 HydrophobicContact CG-CD2 3.7Å; M868-F874 HydrophobicContact CG-CE1 3.6Å; M868-F874 HydrophobicContact CG-CE2 3.71Å; M868-F874 HydrophobicContact CG-CG 3.65Å; M868-F874 HydrophobicContact CG-CZ 3.67Å; M868-F874 HydrophobicContact SD-CD1 3.94Å; M868-F874 HydrophobicContact SD-CE1 4.18Å; M868-F874 HydrophobicContact SD-CG 4.34Å; M868-P970 HydrophobicContact CE-CG 3.63Å; M868-P970 HydrophobicContact SD-CG 3.77Å; M868-M972 HydrophobicContact CE-CE 3.71Å; M868-M972 HydrophobicContact SD-CE 3.73Å; M868-F1004 HydrophobicContact CB-CE1 4.46Å; M868-F1004 HydrophobicContact CE-CB 4.28Å; M868-F1004 HydrophobicContact CE-CD1 4.16Å; M868-F1004 HydrophobicContact CE-CD2 3.8Å; M868-F1004 HydrophobicContact CE-CE1 4.49Å; M868-F1004 HydrophobicContact CE-CE2 4.16Å; M868-F1004 HydrophobicContact CE-CG 3.8Å; M868-F1004 HydrophobicContact CE-CZ 4.49Å; M868-Y1009 HydrophobicContact CE-CE1 4.5Å; M868-Y1009 HydrophobicContact CE-CE2 3.57Å; M868-Y1009 VanDerWaalsContact CE-OH 3.29Å; M868-Y1009 WeakPolarHBondContact CE-OH 3.28Å
869	E	88.9	Confident	90.8	Very high	48 Å²	48	15.2 Å²	15.2	22%	0.224	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	135.5	-176.7	172.5	169.1	-142	0	0	108.3	R871 F872 P1001 S1002 F1004	E869-R871 PolarHBondContact O-N 2.53Å; E869-R871 VanDerWaalsContact O-N 3.13Å; E869-F872 WeakPolarHBondContact O-CA 3.17Å; E869-F872 WeakPolarHBondContact O-CB 3.34Å; E869-F872 PolarHBondContact O-N 2.84Å; E869-P1001 WeakPolarHBondContact OE1-CB 3.3Å; E869-S1002 PolarHBondContact OE2-N 3.09Å; E869-F1004 HydrophobicContact CB-CE1 3.85Å; E869-F1004 HydrophobicContact CB-CZ 4.19Å; E869-F1004 WeakPolarHBondContact OE2-CE1 3.46Å; E869-F1004 WeakPolarHBondContact OE2-CZ 3.34Å
870	H	90	Very high	90.7	Very high	51 Å²	51	15.4 Å²	15.4	24%	0.236	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	42.7	-116	-175	-49.6	-62.4	0	0	0	113.4	C131 E136 F146	C131-H870 VanDerWaalsContact O-CB 3.31Å; C131-H870 WeakPolarHBondContact O-CB 3.32Å; E136-H870 VanDerWaalsContact CD-CE1 3.5Å; E136-H870 VanDerWaalsContact CD-ND1 3.27Å; E136-H870 IonicContact OE1-CE1 3.33Å; E136-H870 PolarHBondContact OE1-CE1 3.43Å; E136-H870 VanDerWaalsContact OE1-CE1 3.29Å; E136-H870 IonicContact OE1-ND1 3.8Å; E136-H870 PolarHBondContact OE1-ND1 2.91Å; E136-H870 IonicContact OE2-CE1 3.52Å; E136-H870 PolarHBondContact OE2-CE1 3.28Å; E136-H870 IonicContact OE2-CG 3.97Å; E136-H870 IonicContact OE2-ND1 2.95Å; E136-H870 PolarHBondContact OE2-ND1 2.77Å; F146-H870 AromaticContact CE2-CD2 3.49Å; F146-H870 VanDerWaalsContact CE2-CD2 3.49Å; F146-H870 WeakPolarHBondContact CE2-CD2 2.95Å; F146-H870 AromaticContact CE2-NE2 3.93Å
871	R	90.8	Very high	90.6	Very high	15 Å²	15	15.3 Å²	15.3	6%	0.057	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	9.9	173	-57.2	-170.9	-173.2	-126.9	-3	114.1	C131 E134 Y867 E869 L873 Q905	C131-R871 HydrophobicContact CB-CB 4.22Å; C131-R871 WeakPolarHBondContact O-CB 3.31Å; C131-R871 PolarHBondContact O-N 2.82Å; C131-R871 VanDerWaalsContact O-N 3.16Å; E134-R871 IonicContact OE1-NH2 3.99Å; E134-R871 PolarHBondContact OE1-NH2 3.35Å; Y867-R871 HydrophobicContact CE1-CB 4.44Å; E869-R871 PolarHBondContact O-N 2.53Å; E869-R871 VanDerWaalsContact O-N 3.13Å; R871-L873 PolarHBondContact O-N 2.8Å; R871-Q905 VanDerWaalsContact NH1-NE2 3.1Å
872	F	92.7	Very high	90.6	Very high	10 Å²	10	15.7 Å²	15.7	4%	0.044	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	116.8	175.3	-166.2	-79.4	0	0	0	110	H128 F129 H130 Y867 M868 E869 Y969 P970 F1004	H128-F872 HydrophobicContact CB-CE2 3.94Å; H128-F872 HydrophobicContact CB-CZ 4.23Å; H128-F872 AromaticContact ND1-CZ 3.97Å; F129-F872 WeakPolarHBondContact O-CA 3.34Å; F129-F872 WeakPolarHBondContact O-CD2 3.45Å; H130-F872 AromaticContact CE1-CD2 3.91Å; H130-F872 AromaticContact CE1-CE2 3.6Å; H130-F872 AromaticContact NE2-CE2 3.7Å; Y867-F872 CarbonylContact C-O 3.54Å; Y867-F872 WeakPolarHBondContact CA-O 3.39Å; M868-F872 HydrophobicContact CB-CD1 4.24Å; M868-F872 PolarHBondContact N-O 2.81Å; M868-F872 HydrophobicContact SD-CD1 4.16Å; M868-F872 HydrophobicContact SD-CE1 4.04Å; E869-F872 WeakPolarHBondContact O-CA 3.17Å; E869-F872 WeakPolarHBondContact O-CB 3.34Å; E869-F872 PolarHBondContact O-N 2.84Å; F872-Y969 HydrophobicContact CZ-CD1 4.24Å; F872-Y969 AromaticContact CZ-CE1 3.95Å; F872-Y969 HydrophobicContact CZ-CE1 3.95Å; F872-P970 HydrophobicContact CE1-CG 4.5Å; F872-F1004 HydrophobicContact CD1-CE2 4.48Å; F872-F1004 HydrophobicContact CD1-CZ 4.43Å; F872-F1004 HydrophobicContact CE1-CE2 4.31Å
873	L	93	Very high	90.7	Very high	8 Å²	8	16.4 Å²	16.4	4%	0.042	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	151.3	-175.3	-66.9	166.2	0	0	0	112	C866 Y867 R871 C877 L878 L909	C866-L873 HydrophobicContact CB-CD2 4.42Å; C866-L873 CarbonylContact O-C 3.59Å; C866-L873 WeakPolarHBondContact O-CA 3.43Å; C866-L873 WeakPolarHBondContact O-CD2 3.31Å; Y867-L873 HydrophobicContact CD1-CD2 3.67Å; Y867-L873 HydrophobicContact CD1-CG 4.37Å; Y867-L873 HydrophobicContact CE1-CD2 3.41Å; Y867-L873 VanDerWaalsContact CE1-CD2 3.41Å; Y867-L873 HydrophobicContact CE1-CG 4.2Å; R871-L873 PolarHBondContact O-N 2.8Å; L873-C877 HydrophobicContact CB-CB 4.4Å; L873-L878 HydrophobicContact CD1-CB 4.34Å; L873-L909 HydrophobicContact CD1-CD2 4.03Å; L873-L909 HydrophobicContact CD2-CD2 4.15Å
874	F	92.9	Very high	90.8	Very high	3 Å²	3	16.3 Å²	16.3	1%	0.013	8%	0.08	C	C	.	.	P	Polyproline II helix	trans	-58.3	149.1	162.3	-86.2	-82.4	0	0	0	111.1	L755 Y830 S865 C866 Y867 M868 K876 C877 M972 Y1009 L1031	L755-F874 HydrophobicContact CD1-CB 3.69Å; L755-F874 HydrophobicContact CD1-CG 4.35Å; L755-F874 HydrophobicContact CD2-CB 4.41Å; Y830-F874 HydrophobicContact CE1-CB 4.17Å; Y830-F874 AromaticContact CE1-CD1 3.83Å; Y830-F874 HydrophobicContact CE1-CD1 3.83Å; Y830-F874 HydrophobicContact CE1-CG 4.38Å; Y830-F874 WeakPolarHBondContact OH-CD1 3.29Å; S865-F874 WeakPolarHBondContact O-CD2 3.3Å; C866-F874 PolarHBondContact O-N 2.87Å; Y867-F874 WeakPolarHBondContact O-CE2 3.49Å; M868-F874 HydrophobicContact CB-CE2 4.49Å; M868-F874 HydrophobicContact CG-CB 4.43Å; M868-F874 HydrophobicContact CG-CD1 3.59Å; M868-F874 HydrophobicContact CG-CD2 3.7Å; M868-F874 HydrophobicContact CG-CE1 3.6Å; M868-F874 HydrophobicContact CG-CE2 3.71Å; M868-F874 HydrophobicContact CG-CG 3.65Å; M868-F874 HydrophobicContact CG-CZ 3.67Å; M868-F874 HydrophobicContact SD-CD1 3.94Å; M868-F874 HydrophobicContact SD-CE1 4.18Å; M868-F874 HydrophobicContact SD-CG 4.34Å; F874-K876 PolarHBondContact O-N 2.81Å; F874-C877 VanDerWaalsContact O-CB 3.25Å; F874-C877 WeakPolarHBondContact O-CB 3.29Å; F874-C877 PolarHBondContact O-N 3.08Å; F874-M972 HydrophobicContact CD1-CE 3.76Å; F874-M972 HydrophobicContact CE1-CE 3.97Å; F874-Y1009 AromaticContact CE1-CD1 3.97Å; F874-Y1009 HydrophobicContact CE1-CD1 3.97Å; F874-Y1009 HydrophobicContact CE1-CD2 4.04Å; F874-Y1009 HydrophobicContact CE1-CE1 4.42Å; F874-Y1009 AromaticContact CE1-CG 3.76Å; F874-Y1009 HydrophobicContact CE1-CG 3.76Å; F874-Y1009 AromaticContact CZ-CD1 3.59Å; F874-Y1009 HydrophobicContact CZ-CD1 3.59Å; F874-Y1009 HydrophobicContact CZ-CD2 4.49Å; F874-Y1009 HydrophobicContact CZ-CE1 4.04Å; F874-Y1009 AromaticContact CZ-CG 3.85Å; F874-Y1009 HydrophobicContact CZ-CG 3.85Å; F874-L1031 HydrophobicContact CE2-CD1 3.4Å; F874-L1031 HydrophobicContact CZ-CD1 3.47Å; F874-L1031 VanDerWaalsContact CZ-CD1 3.47Å
875	P	91.3	Very high	91.3	Very high	2 Å²	2	13 Å²	13	1%	0.013	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	141.8	-179.2	-19.6	25.5	0	0	0	112.3	Y830 C877 V968 Y969 M972	Y830-P875 HydrophobicContact CD1-CB 3.99Å; Y830-P875 HydrophobicContact CD1-CG 4.1Å; Y830-P875 WeakPolarHBondContact CD1-O 3.26Å; Y830-P875 HydrophobicContact CE1-CG 4.3Å; Y830-P875 HydrophobicContact CG-CB 4.44Å; P875-C877 PolarHBondContact O-N 3.44Å; P875-V968 HydrophobicContact CB-CG1 3.49Å; P875-V968 VanDerWaalsContact CB-CG1 3.49Å; P875-V968 HydrophobicContact CG-CG1 3.76Å; P875-Y969 WeakPolarHBondContact CB-O 3.31Å; P875-Y969 WeakPolarHBondContact CG-O 3.42Å; P875-M972 HydrophobicContact CG-CE 3.68Å; P875-M972 HydrophobicContact CG-CG 3.86Å
876	K	91.4	Very high	91.8	Very high	8 Å²	8	12.9 Å²	12.9	4%	0.035	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	5.8	177.7	-51	-59.6	-174	175.2	0	116.2	N126 Y830 F874 L878 D879 Q880 A965 G966 S967 V968	N126-K876 PolarHBondContact ND2-NZ 3.11Å; N126-K876 WeakPolarHBondContact OD1-CD 3.49Å; N126-K876 VanDerWaalsContact OD1-CE 3.3Å; N126-K876 WeakPolarHBondContact OD1-CE 3.18Å; N126-K876 PolarHBondContact OD1-NZ 3.26Å; Y830-K876 VanDerWaalsContact O-CG 3.29Å; Y830-K876 WeakPolarHBondContact O-CG 3.36Å; F874-K876 PolarHBondContact O-N 2.81Å; K876-L878 VanDerWaalsContact C-N 3.28Å; K876-L878 PolarHBondContact O-N 2.76Å; K876-D879 HydrophobicContact CB-CB 4.36Å; K876-D879 HydrophobicContact CD-CB 4.31Å; K876-D879 PolarHBondContact O-N 3.08Å; K876-Q880 WeakPolarHBondContact O-CB 3.46Å; K876-Q880 WeakPolarHBondContact O-CG 3.39Å; K876-Q880 PolarHBondContact O-N 3.05Å; K876-A965 PolarHBondContact NZ-O 2.96Å; K876-G966 PolarHBondContact NZ-O 3Å; K876-S967 PolarHBondContact NZ-O 3.37Å; K876-V968 HydrophobicContact CG-CG2 4.48Å
877	C	92.7	Very high	92.1	Very high	11 Å²	11	13.2 Å²	13.2	7%	0.074	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-44.8	-179.7	-175.6	0	0	0	0	111.7	L755 L873 F874 P875	L755-C877 HydrophobicContact CD1-CB 3.92Å; L755-C877 HydrophobicContact CD2-CB 4.47Å; L873-C877 HydrophobicContact CB-CB 4.4Å; F874-C877 VanDerWaalsContact O-CB 3.25Å; F874-C877 WeakPolarHBondContact O-CB 3.29Å; F874-C877 PolarHBondContact O-N 3.08Å; P875-C877 PolarHBondContact O-N 3.44Å
878	L	92.8	Very high	92.3	Very high	14 Å²	14	12 Å²	12	7%	0.073	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-37.3	-179.5	-160.3	58.7	0	0	0	111.9	A122 L873 K876 Q880 C881 S882 L909 A913	A122-L878 WeakPolarHBondContact O-CD2 3.44Å; L873-L878 HydrophobicContact CD1-CB 4.34Å; K876-L878 VanDerWaalsContact C-N 3.28Å; K876-L878 PolarHBondContact O-N 2.76Å; L878-Q880 VanDerWaalsContact C-N 3.27Å; L878-Q880 PolarHBondContact O-N 2.95Å; L878-C881 CarbonylContact O-C 3.5Å; L878-C881 WeakPolarHBondContact O-CA 3.35Å; L878-C881 PolarHBondContact O-N 3.31Å; L878-S882 PolarHBondContact O-N 3.18Å; L878-L909 HydrophobicContact CD1-CD1 4.26Å; L878-L909 HydrophobicContact CD1-CD2 4.49Å; L878-L909 HydrophobicContact CD1-CG 4.02Å; L878-L909 HydrophobicContact CD2-CD1 4.29Å; L878-A913 HydrophobicContact CD1-CB 3.56Å; L878-A913 HydrophobicContact CD2-CB 4.29Å; L878-A913 HydrophobicContact CG-CB 3.87Å
879	D	92.4	Very high	92.6	Very high	9 Å²	9	11.5 Å²	11.5	5%	0.048	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-59.8	-37.7	175.1	-59.4	-86.1	0	0	0	111.8	R125 N126 K876 C881 S882	R125-D879 WeakPolarHBondContact CA-OD1 3.48Å; R125-D879 WeakPolarHBondContact CB-OD1 3.49Å; R125-D879 IonicContact NH1-OD1 3.22Å; N126-D879 PolarHBondContact N-OD1 3.19Å; N126-D879 PolarHBondContact N-OD2 3.38Å; K876-D879 HydrophobicContact CB-CB 4.36Å; K876-D879 HydrophobicContact CD-CB 4.31Å; K876-D879 PolarHBondContact O-N 3.08Å; D879-C881 PolarHBondContact O-N 3.4Å; D879-S882 WeakPolarHBondContact O-CB 3.45Å; D879-S882 PolarHBondContact O-N 3.07Å; D879-S882 VanDerWaalsContact O-N 3.16Å; D879-S882 PolarHBondContact O-OG 3.45Å
880	Q	93.1	Very high	92.9	Very high	5 Å²	5	9.2 Å²	9.2	2%	0.023	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-67	-9.5	173.3	-74.5	-180	-3.2	0	0	113.9	T753 G754 G829 T831 A859 K876 L878 V886	T753-Q880 HydrophobicContact CG2-CB 4.29Å; T753-Q880 HydrophobicContact CG2-CG 4.43Å; G754-Q880 VanDerWaalsContact C-OE1 3.29Å; G754-Q880 VanDerWaalsContact CA-OE1 3.31Å; G829-Q880 PolarHBondContact O-NE2 2.99Å; T831-Q880 PolarHBondContact O-NE2 3.33Å; A859-Q880 WeakPolarHBondContact CB-O 3.21Å; K876-Q880 WeakPolarHBondContact O-CB 3.46Å; K876-Q880 WeakPolarHBondContact O-CG 3.39Å; K876-Q880 PolarHBondContact O-N 3.05Å; L878-Q880 VanDerWaalsContact C-N 3.27Å; L878-Q880 PolarHBondContact O-N 2.95Å; Q880-V886 WeakPolarHBondContact O-CG2 3.49Å
881	C	94.4	Very high	93.1	Very high	2 Å²	2	6.8 Å²	6.8	1%	0.014	4%	0.036	C	C	.	.	G	3₁₀ helix	trans	-111.8	10.1	175.9	-61	0	0	0	0	112.9	L878 D879 V889 I910 N914	L878-C881 CarbonylContact O-C 3.5Å; L878-C881 WeakPolarHBondContact O-CA 3.35Å; L878-C881 PolarHBondContact O-N 3.31Å; D879-C881 PolarHBondContact O-N 3.4Å; C881-V889 HydrophobicContact CB-CG2 4.48Å; C881-I910 HydrophobicContact CB-CG1 4.41Å; C881-I910 HydrophobicContact CB-CG2 3.94Å; C881-N914 WeakPolarHBondContact O-CB 3.25Å; C881-N914 PolarHBondContact O-ND2 3.42Å
882	S	92	Very high	93	Very high	15 Å²	15	6.1 Å²	6.1	11%	0.105	3%	0.033	C	C	.	.			trans	-72	149	-164.2	61.1	0	0	0	0	115.9	L878 D879 L885 V886 N914 Y955	L878-S882 PolarHBondContact O-N 3.18Å; D879-S882 WeakPolarHBondContact O-CB 3.45Å; D879-S882 PolarHBondContact O-N 3.07Å; D879-S882 VanDerWaalsContact O-N 3.16Å; D879-S882 PolarHBondContact O-OG 3.45Å; S882-L885 PolarHBondContact O-N 3.02Å; S882-V886 PolarHBondContact O-N 3.33Å; S882-N914 PolarHBondContact O-ND2 3.44Å; S882-Y955 WeakPolarHBondContact CB-OH 3.48Å; S882-Y955 PolarHBondContact OG-OH 3.13Å
883	Q	91.9	Very high	92.6	Very high	30 Å²	30	6.1 Å²	6.1	14%	0.14	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	137.9	-177.6	-171.1	-178.6	-5.5	0	0	113	L885 N914 S950 Y955	Q883-L885 PolarHBondContact O-N 2.95Å; Q883-N914 HydrophobicContact CB-CB 4.19Å; Q883-S950 PolarHBondContact NE2-OG 3.4Å; Q883-Y955 WeakPolarHBondContact O-CE2 3.29Å; Q883-Y955 PolarHBondContact O-OH 3.09Å
884	G	89.8	Confident	91.9	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	-13.3	178.7	0	0	0	0	0	113.9	R951	G884-R951 PolarHBondContact O-NE 2.96Å; G884-R951 PolarHBondContact O-NH1 2.99Å; G884-R951 PolarHBondContact O-NH2 2.94Å
885	L	92.8	Very high	90.9	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-54.8	170.9	-57.1	-177	0	0	0	111.4	I834 I857 S882 Q883 M947 R951 Y955	I834-L885 HydrophobicContact CB-CD1 3.86Å; I834-L885 HydrophobicContact CD1-CD1 3.78Å; I834-L885 HydrophobicContact CD1-CD2 3.56Å; I834-L885 HydrophobicContact CD1-CG 4.29Å; I834-L885 HydrophobicContact CG1-CD1 4.38Å; I857-L885 WeakPolarHBondContact CB-O 3.48Å; S882-L885 PolarHBondContact O-N 3.02Å; Q883-L885 PolarHBondContact O-N 2.95Å; L885-M947 WeakPolarHBondContact O-CE 3.44Å; L885-R951 HydrophobicContact CD2-CG 4Å; L885-Y955 HydrophobicContact CD1-CE1 4.26Å; L885-Y955 HydrophobicContact CD1-CE2 3.99Å; L885-Y955 HydrophobicContact CD2-CD2 4.16Å; L885-Y955 HydrophobicContact CD2-CE2 3.95Å; L885-Y955 HydrophobicContact CG-CD2 4.28Å; L885-Y955 HydrophobicContact CG-CE2 3.6Å
886	V	95.2	Very high	89.7	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.082	C	C	.	.			trans	-93.9	124.6	-169.7	178.4	0	0	0	0	109.9	I857 A859 Q880 S882 N888 V889 N914	I857-V886 HydrophobicContact CG2-CB 4.48Å; I857-V886 HydrophobicContact CG2-CG2 3.98Å; A859-V886 HydrophobicContact CB-CG1 3.96Å; Q880-V886 WeakPolarHBondContact O-CG2 3.49Å; S882-V886 PolarHBondContact O-N 3.33Å; V886-N888 VanDerWaalsContact CG1-O 3.25Å; V886-N888 WeakPolarHBondContact CG1-O 3.29Å; V886-V889 HydrophobicContact CG1-CG2 4.25Å; V886-N914 PolarHBondContact O-ND2 2.86Å
887	S	94.4	Very high	88.7	Confident	8 Å²	8	19.2 Å²	19.2	6%	0.056	11%	0.105	C	C	.	.			trans	-89	-37.6	177.5	52.4	0	0	0	0	112.2	I857 A917 A918 S941	I857-S887 PolarHBondContact N-OG 2.76Å; I857-S887 PolarHBondContact O-N 2.94Å; I857-S887 PolarHBondContact O-OG 3.45Å; S887-A917 WeakPolarHBondContact O-CA 3.37Å; S887-A918 PolarHBondContact O-N 2.72Å; S887-S941 WeakPolarHBondContact CB-OG 3.49Å
888	N	96	Very high	87.1	Confident	3 Å²	3	27.7 Å²	27.7	2%	0.016	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.3	-172.3	-45.4	-56.6	0	0	0	111.4	I857 T858 A859 V886 A918 I920 L935	I857-N888 PolarHBondContact O-N 3.35Å; T858-N888 CarbonylContact C-O 3.55Å; T858-N888 WeakPolarHBondContact CA-O 3.38Å; T858-N888 HydrophobicContact CG2-CB 4.1Å; T858-N888 PolarHBondContact OG1-ND2 3.47Å; A859-N888 PolarHBondContact N-O 3.28Å; V886-N888 VanDerWaalsContact CG1-O 3.25Å; V886-N888 WeakPolarHBondContact CG1-O 3.29Å; N888-A918 CarbonylContact C-O 3.55Å; N888-A918 WeakPolarHBondContact CA-O 3.23Å; N888-I920 HydrophobicContact CB-CD1 4.07Å; N888-L935 PolarHBondContact ND2-O 2.9Å
889	V	96.4	Very high	85.9	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	118	173	176.7	0	0	0	0	108	A859 V861 C881 V886 F891 I910 A917 A918 F919 I920	A859-V889 CarbonylContact O-C 3.45Å; A859-V889 WeakPolarHBondContact O-CA 2.98Å; V861-V889 HydrophobicContact CB-CG1 4.34Å; V861-V889 HydrophobicContact CG2-CG1 3.72Å; C881-V889 HydrophobicContact CB-CG2 4.48Å; V886-V889 HydrophobicContact CG1-CG2 4.25Å; V889-F891 HydrophobicContact CG1-CE1 4.28Å; V889-F891 HydrophobicContact CG1-CE2 3.93Å; V889-F891 HydrophobicContact CG1-CZ 3.8Å; V889-I910 HydrophobicContact CG1-CD1 4.12Å; V889-I910 HydrophobicContact CG1-CG2 4.43Å; V889-I910 HydrophobicContact CG2-CG2 3.97Å; V889-A917 HydrophobicContact CG2-CB 4.03Å; V889-A918 PolarHBondContact N-O 3.46Å; V889-F919 HydrophobicContact CB-CD1 3.99Å; V889-F919 HydrophobicContact CB-CE1 4.24Å; V889-F919 HydrophobicContact CG2-CE1 4.39Å; V889-F919 WeakPolarHBondContact O-CA 3.46Å; V889-I920 PolarHBondContact O-N 3.42Å
890	V	95.3	Very high	85.4	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	117.7	-178.3	177.2	0	0	0	0	108.8	L763 T858 A859 C860 V861 T892 I920 A922 I936	L763-V890 HydrophobicContact CD2-CG1 4.4Å; L763-V890 HydrophobicContact CD2-CG2 4.29Å; T858-V890 HydrophobicContact CG2-CB 4.32Å; T858-V890 HydrophobicContact CG2-CG2 3.38Å; A859-V890 PolarHBondContact O-N 3.16Å; C860-V890 CarbonylContact C-O 3.53Å; C860-V890 WeakPolarHBondContact CA-O 3.19Å; V861-V890 PolarHBondContact N-O 3.42Å; V890-T892 HydrophobicContact CG1-CG2 4.24Å; V890-I920 CarbonylContact C-O 3.56Å; V890-I920 WeakPolarHBondContact CA-O 3.48Å; V890-I920 HydrophobicContact CG2-CB 3.97Å; V890-I920 HydrophobicContact CG2-CD1 4.26Å; V890-I920 HydrophobicContact CG2-CG2 4.22Å; V890-A922 HydrophobicContact CG1-CB 3.56Å; V890-I936 HydrophobicContact CG2-CD1 4.04Å; V890-I936 HydrophobicContact CG2-CG1 4.46Å
891	F	93.4	Very high	85	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	125.9	174.3	-62.7	-82.5	0	0	0	110.1	V861 P863 V889 T895 L903 Q907 I910 F919 I920 L921 A922	V861-F891 HydrophobicContact CB-CD1 4.14Å; V861-F891 HydrophobicContact CB-CE1 4.27Å; V861-F891 HydrophobicContact CG1-CD1 4.09Å; V861-F891 HydrophobicContact CG1-CE1 4.03Å; V861-F891 WeakPolarHBondContact O-CA 3.48Å; P863-F891 HydrophobicContact CG-CD1 4.46Å; V889-F891 HydrophobicContact CG1-CE1 4.28Å; V889-F891 HydrophobicContact CG1-CE2 3.93Å; V889-F891 HydrophobicContact CG1-CZ 3.8Å; F891-T895 HydrophobicContact CB-CG2 4.26Å; F891-T895 VanDerWaalsContact O-CG2 3.29Å; F891-T895 WeakPolarHBondContact O-CG2 3.45Å; F891-L903 HydrophobicContact CB-CD1 3.95Å; F891-L903 HydrophobicContact CD1-CD1 3.38Å; F891-L903 HydrophobicContact CD2-CD1 4.26Å; F891-L903 HydrophobicContact CE1-CD1 3.88Å; F891-L903 HydrophobicContact CG-CD1 3.59Å; F891-Q907 HydrophobicContact CE1-CG 4.17Å; F891-Q907 HydrophobicContact CE2-CG 3.8Å; F891-Q907 HydrophobicContact CZ-CG 3.54Å; F891-I910 HydrophobicContact CE1-CD1 4.03Å; F891-I910 HydrophobicContact CZ-CD1 4.1Å; F891-F919 HydrophobicContact CE2-CB 3.99Å; F891-F919 HydrophobicContact CE2-CD1 4.18Å; F891-F919 AromaticContact CE2-CD2 3.99Å; F891-F919 HydrophobicContact CE2-CD2 3.99Å; F891-F919 AromaticContact CE2-CG 3.8Å; F891-F919 HydrophobicContact CE2-CG 3.8Å; F891-F919 HydrophobicContact CZ-CD2 4.43Å; F891-F919 HydrophobicContact CZ-CG 4.49Å; F891-I920 PolarHBondContact N-O 3.16Å; F891-L921 HydrophobicContact CB-CD2 4.06Å; F891-L921 HydrophobicContact CD2-CD2 4.08Å; F891-L921 HydrophobicContact CG-CD2 4.42Å; F891-A922 CarbonylContact O-C 3.43Å; F891-A922 PolarHBondContact O-N 2.95Å
892	T	89.5	Confident	84.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.226	C	C	.	.			trans	-102.5	-7.1	-168.9	55.3	0	0	0	0	116	C758 H759 C860 V861 E862 V890 A922 E923 N924	C758-T892 VanDerWaalsContact O-CG2 3.29Å; C758-T892 WeakPolarHBondContact O-CG2 3.35Å; C758-T892 PolarHBondContact O-OG1 3.09Å; H759-T892 HydrophobicContact CB-CG2 4.12Å; C860-T892 HydrophobicContact CB-CG2 4.35Å; V861-T892 PolarHBondContact O-N 3.27Å; V861-T892 PolarHBondContact O-OG1 2.76Å; E862-T892 PolarHBondContact OE2-OG1 3.41Å; V890-T892 HydrophobicContact CG1-CG2 4.24Å; T892-A922 WeakPolarHBondContact CA-O 3.35Å; T892-E923 CarbonylContact O-C 3.56Å; T892-E923 WeakPolarHBondContact O-CA 3.39Å; T892-N924 PolarHBondContact O-N 3.01Å
893	S	83.5	Confident	84.5	Confident	10 Å²	10	45.2 Å²	45.2	7%	0.07	22%	0.223	C	C	.	.	S	Bend	trans	-143.4	169.1	172.3	77.2	0	0	0	0	112.5	E862 P863 T895 E923	E862-S893 VanDerWaalsContact CD-OG 3.24Å; E862-S893 WeakPolarHBondContact OE1-CB 3.45Å; E862-S893 PolarHBondContact OE1-OG 3.15Å; E862-S893 VanDerWaalsContact OE2-CB 3.24Å; E862-S893 WeakPolarHBondContact OE2-CB 3.33Å; E862-S893 PolarHBondContact OE2-N 2.82Å; E862-S893 PolarHBondContact OE2-OG 2.94Å; P863-S893 WeakPolarHBondContact CD-OG 3.48Å; S893-T895 PolarHBondContact O-N 3.35Å; S893-T895 VanDerWaalsContact O-N 3.12Å; S893-E923 WeakPolarHBondContact CA-OE1 3.23Å; S893-E923 WeakPolarHBondContact CA-OE2 3.26Å
894	H	77.9	Confident	84.4	Confident	49 Å²	49	47.4 Å²	47.4	23%	0.227	24%	0.238	C	C	.	.	S	Bend	trans	57.3	24.7	179.6	-58.8	77.6	0	0	0	112.6	M864 H900 E923	M864-H894 WeakPolarHBondContact CG-CE1 3.39Å; H894-H900 HydrophobicContact CB-CB 4.04Å; H894-H900 AromaticContact CD2-CD2 3.52Å; H894-H900 AromaticContact CD2-CE1 3.67Å; H894-H900 AromaticContact CD2-CG 3.69Å; H894-H900 AromaticContact CD2-ND1 3.78Å; H894-H900 AromaticContact CD2-NE2 3.54Å; H894-H900 AromaticContact NE2-NE2 3.99Å; H894-E923 PolarHBondContact N-OE1 3.35Å; H894-E923 PolarHBondContact N-OE2 2.54Å
895	T	72.3	Confident	84.3	Confident	21 Å²	21	49.8 Å²	49.8	13%	0.129	25%	0.25	C	C	.	.			trans	-83	-21	-177.2	69.1	0	0	0	0	112.8	F891 S893 E897 L921 E923	F891-T895 HydrophobicContact CB-CG2 4.26Å; F891-T895 VanDerWaalsContact O-CG2 3.29Å; F891-T895 WeakPolarHBondContact O-CG2 3.45Å; S893-T895 PolarHBondContact O-N 3.35Å; S893-T895 VanDerWaalsContact O-N 3.12Å; T895-E897 VanDerWaalsContact C-N 3.35Å; T895-L921 HydrophobicContact CG2-CB 4.02Å; T895-L921 HydrophobicContact CG2-CD2 4.04Å; T895-E923 VanDerWaalsContact CB-OE2 3.28Å; T895-E923 WeakPolarHBondContact CB-OE2 3.13Å; T895-E923 WeakPolarHBondContact CG2-OE2 3.35Å; T895-E923 PolarHBondContact N-OE2 2.87Å; T895-E923 WeakPolarHBondContact OG1-CB 3.42Å; T895-E923 PolarHBondContact OG1-OE2 3.03Å
896	T	67.3	Low	84.3	Confident	115 Å²	115	49.9 Å²	49.9	71%	0.706	25%	0.25	S	S	*	.	S	Bend	trans	-74.7	-25.6	177.1	52.2	0	0	0	0	112.8
897	E	70.2	Confident	84.1	Confident	112 Å²	112	52.4 Å²	52.4	52%	0.523	26%	0.262	S	S	.	.	S	Bend	trans	-93.8	99.6	175	-68.1	-173.7	-177.8	0	0	109.8	T895 R899 H900	T895-E897 VanDerWaalsContact C-N 3.35Å; E897-R899 PolarHBondContact O-N 3.35Å; E897-H900 HydrophobicContact CB-CB 4.34Å; E897-H900 PolarHBondContact O-N 3.21Å; E897-H900 IonicContact OE2-CD2 2.65Å; E897-H900 PolarHBondContact OE2-CD2 3.31Å
898	Q	57.8	Low	84	Confident	188 Å²	188	55.4 Å²	55.4	88%	0.879	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-6.6	-175.7	-73.4	-173.9	-13.5	0	0	115.8
899	R	68.1	Low	83.9	Confident	218 Å²	218	55.4 Å²	55.4	82%	0.823	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.2	28.9	-176.2	-65.4	-169	178.7	-179.7	0.8	114.6	E897 P901	E897-R899 PolarHBondContact O-N 3.35Å; R899-P901 WeakPolarHBondContact O-CD 3.48Å
900	H	82.8	Confident	83.7	Confident	37 Å²	37	55.6 Å²	55.6	17%	0.171	28%	0.284	C	S	.	.			trans	-58.9	123.3	175.5	-166.9	-93.5	0	0	0	110.4	H894 E897 L902 L903 V904	H894-H900 HydrophobicContact CB-CB 4.04Å; H894-H900 AromaticContact CD2-CD2 3.52Å; H894-H900 AromaticContact CD2-CE1 3.67Å; H894-H900 AromaticContact CD2-CG 3.69Å; H894-H900 AromaticContact CD2-ND1 3.78Å; H894-H900 AromaticContact CD2-NE2 3.54Å; H894-H900 AromaticContact NE2-NE2 3.99Å; E897-H900 HydrophobicContact CB-CB 4.34Å; E897-H900 PolarHBondContact O-N 3.21Å; E897-H900 IonicContact OE2-CD2 2.65Å; E897-H900 PolarHBondContact OE2-CD2 3.31Å; H900-L902 VanDerWaalsContact C-N 3.33Å; H900-L902 PolarHBondContact O-N 2.91Å; H900-L903 HydrophobicContact CB-CB 4.24Å; H900-L903 WeakPolarHBondContact O-CB 3.18Å; H900-L903 PolarHBondContact O-N 3.47Å; H900-V904 PolarHBondContact O-N 3.21Å; H900-V904 VanDerWaalsContact O-N 3.13Å
901	P	84.9	Confident	83.7	Confident	96 Å²	96	61 Å²	61	62%	0.623	30%	0.304	S	S	*	.	H	α-helix	trans	-56.7	-41	-171.1	-28.3	35.1	0	0	0	114.2	R899 L903 V904 Q905	R899-P901 WeakPolarHBondContact O-CD 3.48Å; P901-L903 VanDerWaalsContact C-N 3.34Å; P901-L903 PolarHBondContact O-N 2.96Å; P901-V904 PolarHBondContact O-N 3.02Å; P901-Q905 WeakPolarHBondContact O-CB 3.22Å; P901-Q905 PolarHBondContact O-N 2.88Å
902	L	85.6	Confident	83.6	Confident	55 Å²	55	62 Å²	62	29%	0.288	31%	0.312	S	S	.	.	H	α-helix	trans	-63.6	-38.6	177.8	-66.4	178	0	0	0	112.2	M864 H900 Q905 L906	M864-L902 HydrophobicContact SD-CD1 3.63Å; H900-L902 VanDerWaalsContact C-N 3.33Å; H900-L902 PolarHBondContact O-N 2.91Å; L902-Q905 PolarHBondContact O-N 3.46Å; L902-L906 WeakPolarHBondContact O-CB 3.49Å; L902-L906 WeakPolarHBondContact O-CG 3.2Å; L902-L906 PolarHBondContact O-N 3.48Å
903	L	89.6	Confident	83.7	Confident	8 Å²	8	62.1 Å²	62.1	4%	0.042	31%	0.314	C	S	.	.	H	α-helix	trans	-66.9	-44.1	178.3	178.3	62	0	0	0	110.5	P863 F891 H900 P901 Q905 L906 Q907 L921	P863-L903 HydrophobicContact CG-CD1 4.09Å; F891-L903 HydrophobicContact CB-CD1 3.95Å; F891-L903 HydrophobicContact CD1-CD1 3.38Å; F891-L903 HydrophobicContact CD2-CD1 4.26Å; F891-L903 HydrophobicContact CE1-CD1 3.88Å; F891-L903 HydrophobicContact CG-CD1 3.59Å; H900-L903 HydrophobicContact CB-CB 4.24Å; H900-L903 WeakPolarHBondContact O-CB 3.18Å; H900-L903 PolarHBondContact O-N 3.47Å; P901-L903 VanDerWaalsContact C-N 3.34Å; P901-L903 PolarHBondContact O-N 2.96Å; L903-Q905 VanDerWaalsContact C-N 3.34Å; L903-Q905 PolarHBondContact O-N 3.06Å; L903-L906 PolarHBondContact O-N 3.1Å; L903-Q907 HydrophobicContact CD1-CG 4.23Å; L903-Q907 HydrophobicContact CG-CG 4.45Å; L903-Q907 VanDerWaalsContact O-CB 3.31Å; L903-Q907 WeakPolarHBondContact O-CB 3.4Å; L903-Q907 VanDerWaalsContact O-CG 3.23Å; L903-Q907 WeakPolarHBondContact O-CG 3.33Å; L903-Q907 PolarHBondContact O-N 2.91Å; L903-L921 HydrophobicContact CD2-CD2 4.43Å
904	V	89.4	Confident	84.1	Confident	75 Å²	75	61.7 Å²	61.7	46%	0.455	31%	0.31	S	S	.	.	H	α-helix	trans	-63.1	-42.1	177.6	176.6	0	0	0	0	111.2	H900 P901 Q907 S908	H900-V904 PolarHBondContact O-N 3.21Å; H900-V904 VanDerWaalsContact O-N 3.13Å; P901-V904 PolarHBondContact O-N 3.02Å; V904-Q907 PolarHBondContact O-N 3.5Å; V904-S908 WeakPolarHBondContact O-CB 3.12Å; V904-S908 PolarHBondContact O-N 3.32Å
905	Q	88.6	Confident	84.7	Confident	51 Å²	51	62.4 Å²	62.4	24%	0.238	32%	0.319	C	S	.	.	H	α-helix	trans	-61.5	-48.7	176.2	-179.8	-178.8	-7.1	0	0	111.7	R871 P901 L902 L903 S908 L909	R871-Q905 VanDerWaalsContact NH1-NE2 3.1Å; P901-Q905 WeakPolarHBondContact O-CB 3.22Å; P901-Q905 PolarHBondContact O-N 2.88Å; L902-Q905 PolarHBondContact O-N 3.46Å; L903-Q905 VanDerWaalsContact C-N 3.34Å; L903-Q905 PolarHBondContact O-N 3.06Å; Q905-S908 WeakPolarHBondContact O-CB 3.42Å; Q905-S908 PolarHBondContact O-N 3.06Å; Q905-L909 PolarHBondContact O-N 3.42Å
906	L	91.4	Very high	85.5	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-65.1	-40.2	177.9	-78.4	168.2	0	0	0	112.2	P863 C866 Y867 L902 L903 S908 L909 I910	P863-L906 VanDerWaalsContact CA-CD1 3.44Å; P863-L906 HydrophobicContact CB-CD1 3.75Å; P863-L906 HydrophobicContact CG-CD1 4.34Å; C866-L906 HydrophobicContact CB-CD1 4.18Å; C866-L906 HydrophobicContact CB-CD2 3.84Å; Y867-L906 HydrophobicContact CE2-CD1 4.27Å; Y867-L906 HydrophobicContact CE2-CD2 3.7Å; Y867-L906 HydrophobicContact CE2-CG 3.93Å; Y867-L906 WeakPolarHBondContact OH-CD2 3.3Å; L902-L906 WeakPolarHBondContact O-CB 3.49Å; L902-L906 WeakPolarHBondContact O-CG 3.2Å; L902-L906 PolarHBondContact O-N 3.48Å; L903-L906 PolarHBondContact O-N 3.1Å; L906-S908 VanDerWaalsContact C-N 3.29Å; L906-S908 PolarHBondContact O-N 3.18Å; L906-L909 HydrophobicContact CD2-CD2 4.37Å; L906-L909 PolarHBondContact O-N 3.37Å; L906-I910 WeakPolarHBondContact O-CB 3.46Å; L906-I910 VanDerWaalsContact O-CG1 3.32Å; L906-I910 WeakPolarHBondContact O-CG1 3.44Å; L906-I910 PolarHBondContact O-N 3.29Å
907	Q	92.8	Very high	86.7	Confident	52 Å²	52	59 Å²	59	24%	0.243	31%	0.305	C	S	.	.	H	α-helix	trans	-59.3	-41.8	173.2	-78.5	178.5	-8.9	0	0	111.5	F891 L903 V904 R911 F919	F891-Q907 HydrophobicContact CE1-CG 4.17Å; F891-Q907 HydrophobicContact CE2-CG 3.8Å; F891-Q907 HydrophobicContact CZ-CG 3.54Å; L903-Q907 HydrophobicContact CD1-CG 4.23Å; L903-Q907 HydrophobicContact CG-CG 4.45Å; L903-Q907 VanDerWaalsContact O-CB 3.31Å; L903-Q907 WeakPolarHBondContact O-CB 3.4Å; L903-Q907 VanDerWaalsContact O-CG 3.23Å; L903-Q907 WeakPolarHBondContact O-CG 3.33Å; L903-Q907 PolarHBondContact O-N 2.91Å; V904-Q907 PolarHBondContact O-N 3.5Å; Q907-R911 WeakPolarHBondContact O-CB 3.45Å; Q907-R911 PolarHBondContact O-N 3.12Å; Q907-F919 HydrophobicContact CB-CD2 4.23Å; Q907-F919 HydrophobicContact CB-CE2 3.76Å; Q907-F919 HydrophobicContact CG-CD2 3.86Å; Q907-F919 HydrophobicContact CG-CE2 3.85Å; Q907-F919 WeakPolarHBondContact O-CE2 3.38Å
908	S	91.3	Very high	87.8	Confident	71 Å²	71	55 Å²	55	50%	0.497	29%	0.292	S	S	.	.	H	α-helix	trans	-65.1	-43.4	175.6	-172.1	0	0	0	0	112.1	V904 Q905 L906 A912	V904-S908 WeakPolarHBondContact O-CB 3.12Å; V904-S908 PolarHBondContact O-N 3.32Å; Q905-S908 WeakPolarHBondContact O-CB 3.42Å; Q905-S908 PolarHBondContact O-N 3.06Å; L906-S908 VanDerWaalsContact C-N 3.29Å; L906-S908 PolarHBondContact O-N 3.18Å; S908-A912 WeakPolarHBondContact O-CB 3.37Å; S908-A912 PolarHBondContact O-N 2.75Å
909	L	93	Very high	89.6	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-62.2	-51.6	177.2	172.1	63	0	0	0	111.6	L118 F129 L873 L878 Q905 L906 R911 A912 A913	L118-L909 HydrophobicContact CD1-CD1 3.43Å; L118-L909 VanDerWaalsContact CD1-CD1 3.43Å; L118-L909 HydrophobicContact CG-CD1 4.5Å; F129-L909 HydrophobicContact CE2-CD1 4.42Å; L873-L909 HydrophobicContact CD1-CD2 4.03Å; L873-L909 HydrophobicContact CD2-CD2 4.15Å; L878-L909 HydrophobicContact CD1-CD1 4.26Å; L878-L909 HydrophobicContact CD1-CD2 4.49Å; L878-L909 HydrophobicContact CD1-CG 4.02Å; L878-L909 HydrophobicContact CD2-CD1 4.29Å; Q905-L909 PolarHBondContact O-N 3.42Å; L906-L909 HydrophobicContact CD2-CD2 4.37Å; L906-L909 PolarHBondContact O-N 3.37Å; L909-R911 VanDerWaalsContact C-N 3.34Å; L909-R911 PolarHBondContact O-N 3Å; L909-A912 CarbonylContact O-C 3.58Å; L909-A912 WeakPolarHBondContact O-CB 3.5Å; L909-A912 PolarHBondContact O-N 3.09Å; L909-A912 VanDerWaalsContact O-N 3.14Å; L909-A913 PolarHBondContact O-N 3.22Å
910	I	94.3	Very high	90.8	Very high	4 Å²	4	38 Å²	38	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-66.6	-37.8	-179.1	-66.5	170.1	0	0	0	110.6	V861 C881 V889 F891 L906 A912 A913 N914 F919	V861-I910 HydrophobicContact CG1-CD1 4.17Å; V861-I910 HydrophobicContact CG2-CD1 4.12Å; C881-I910 HydrophobicContact CB-CG1 4.41Å; C881-I910 HydrophobicContact CB-CG2 3.94Å; V889-I910 HydrophobicContact CG1-CD1 4.12Å; V889-I910 HydrophobicContact CG1-CG2 4.43Å; V889-I910 HydrophobicContact CG2-CG2 3.97Å; F891-I910 HydrophobicContact CE1-CD1 4.03Å; F891-I910 HydrophobicContact CZ-CD1 4.1Å; L906-I910 WeakPolarHBondContact O-CB 3.46Å; L906-I910 VanDerWaalsContact O-CG1 3.32Å; L906-I910 WeakPolarHBondContact O-CG1 3.44Å; L906-I910 PolarHBondContact O-N 3.29Å; I910-A912 VanDerWaalsContact C-N 3.25Å; I910-A912 PolarHBondContact O-N 3.48Å; I910-A913 CarbonylContact O-C 3.57Å; I910-A913 PolarHBondContact O-N 3.41Å; I910-N914 PolarHBondContact O-N 3.43Å; I910-F919 HydrophobicContact CB-CE1 4.5Å; I910-F919 HydrophobicContact CB-CZ 4.16Å; I910-F919 HydrophobicContact CG2-CE1 3.79Å; I910-F919 HydrophobicContact CG2-CZ 3.92Å
911	R	93.3	Very high	91.2	Very high	113 Å²	113	39.8 Å²	39.8	43%	0.426	23%	0.231	S	C	.	.	H	α-helix	trans	-64.1	-34.9	174.7	-170	68.9	64.8	157.5	1.3	111.6	Q907 L909 A913 N914 P915 F919	Q907-R911 WeakPolarHBondContact O-CB 3.45Å; Q907-R911 PolarHBondContact O-N 3.12Å; L909-R911 VanDerWaalsContact C-N 3.34Å; L909-R911 PolarHBondContact O-N 3Å; R911-A913 VanDerWaalsContact C-N 3.3Å; R911-N914 CarbonylContact O-C 3.59Å; R911-P915 WeakPolarHBondContact O-CA 3.35Å; R911-F919 HydrophobicContact CB-CE2 4.34Å; R911-F919 HydrophobicContact CB-CZ 4.02Å
912	A	91.6	Very high	91.5	Very high	20 Å²	20	35.2 Å²	35.2	17%	0.165	20%	0.202	C	C	.	.	H	α-helix	trans	-72.7	-19.7	174.2	0	0	0	0	0	113.1	L118 A122 H123 S908 L909 I910	L118-A912 HydrophobicContact CD2-CB 3.69Å; L118-A912 HydrophobicContact CG-CB 3.66Å; A122-A912 HydrophobicContact CB-CB 4.01Å; H123-A912 PolarHBondContact CE1-O 3.33Å; H123-A912 PolarHBondContact ND1-O 2.95Å; H123-A912 PolarHBondContact NE2-O 3.4Å; S908-A912 WeakPolarHBondContact O-CB 3.37Å; S908-A912 PolarHBondContact O-N 2.75Å; L909-A912 CarbonylContact O-C 3.58Å; L909-A912 WeakPolarHBondContact O-CB 3.5Å; L909-A912 PolarHBondContact O-N 3.09Å; L909-A912 VanDerWaalsContact O-N 3.14Å; I910-A912 VanDerWaalsContact C-N 3.25Å; I910-A912 PolarHBondContact O-N 3.48Å
913	A	92.1	Very high	91.5	Very high	4 Å²	4	35.2 Å²	35.2	3%	0.033	20%	0.2	C	C	.	.	H	α-helix	trans	-97	-24.6	174.5	0	0	0	0	0	113.6	A122 H123 L878 L909 I910 R911	A122-A913 HydrophobicContact CB-CB 4.18Å; A122-A913 WeakPolarHBondContact O-CB 3.39Å; H123-A913 VanDerWaalsContact CD2-C 3.42Å; H123-A913 PolarHBondContact CD2-O 2.85Å; L878-A913 HydrophobicContact CD1-CB 3.56Å; L878-A913 HydrophobicContact CD2-CB 4.29Å; L878-A913 HydrophobicContact CG-CB 3.87Å; L909-A913 PolarHBondContact O-N 3.22Å; I910-A913 CarbonylContact O-C 3.57Å; I910-A913 PolarHBondContact O-N 3.41Å; R911-A913 VanDerWaalsContact C-N 3.3Å
914	N	92.8	Very high	91.2	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.221	C	C	.	.			trans	-148	89.8	178.2	-172.8	-7.1	0	0	0	110.3	C881 S882 Q883 V886 I910 R911 A916 A917	C881-N914 WeakPolarHBondContact O-CB 3.25Å; C881-N914 PolarHBondContact O-ND2 3.42Å; S882-N914 PolarHBondContact O-ND2 3.44Å; Q883-N914 HydrophobicContact CB-CB 4.19Å; V886-N914 PolarHBondContact O-ND2 2.86Å; I910-N914 PolarHBondContact O-N 3.43Å; R911-N914 CarbonylContact O-C 3.59Å; N914-A916 PolarHBondContact O-N 3.15Å; N914-A916 PolarHBondContact OD1-N 3.3Å; N914-A917 HydrophobicContact CB-CB 4.2Å; N914-A917 PolarHBondContact O-N 2.91Å; N914-A917 PolarHBondContact OD1-N 3.25Å
915	P	89.9	Confident	90.9	Very high	64 Å²	64	35.5 Å²	35.5	42%	0.416	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-28.3	-178.9	-25.1	35.1	0	0	0	113.9	R911	R911-P915 WeakPolarHBondContact O-CA 3.35Å
916	A	88.5	Confident	90.8	Very high	63 Å²	63	37.5 Å²	37.5	52%	0.521	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-10.4	-173.6	0	0	0	0	0	114.1	N914 A918	N914-A916 PolarHBondContact O-N 3.15Å; N914-A916 PolarHBondContact OD1-N 3.3Å; A916-A918 PolarHBondContact O-N 3.22Å
917	A	92.5	Very high	90.6	Very high	2 Å²	2	37.6 Å²	37.6	2%	0.017	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-64.4	134.8	-179.2	0	0	0	0	0	112.6	S887 V889 N914 F919	S887-A917 WeakPolarHBondContact O-CA 3.37Å; V889-A917 HydrophobicContact CG2-CB 4.03Å; N914-A917 HydrophobicContact CB-CB 4.2Å; N914-A917 PolarHBondContact O-N 2.91Å; N914-A917 PolarHBondContact OD1-N 3.25Å; A917-F919 HydrophobicContact CB-CD1 4.43Å; A917-F919 HydrophobicContact CB-CE1 4.09Å
918	A	94.2	Very high	90.2	Very high	29 Å²	29	40.8 Å²	40.8	24%	0.24	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	130.5	167.9	0	0	0	0	0	110.1	S887 N888 V889 A916 L935	S887-A918 PolarHBondContact O-N 2.72Å; N888-A918 CarbonylContact C-O 3.55Å; N888-A918 WeakPolarHBondContact CA-O 3.23Å; V889-A918 PolarHBondContact N-O 3.46Å; A916-A918 PolarHBondContact O-N 3.22Å; A918-L935 HydrophobicContact CB-CD1 4.24Å
919	F	94.7	Very high	89.9	Confident	46 Å²	46	43.7 Å²	43.7	20%	0.202	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	122.1	178	-70.2	-2	0	0	0	109.8	V889 F891 Q907 I910 R911 A917	V889-F919 HydrophobicContact CB-CD1 3.99Å; V889-F919 HydrophobicContact CB-CE1 4.24Å; V889-F919 HydrophobicContact CG2-CE1 4.39Å; V889-F919 WeakPolarHBondContact O-CA 3.46Å; F891-F919 HydrophobicContact CE2-CB 3.99Å; F891-F919 HydrophobicContact CE2-CD1 4.18Å; F891-F919 AromaticContact CE2-CD2 3.99Å; F891-F919 HydrophobicContact CE2-CD2 3.99Å; F891-F919 AromaticContact CE2-CG 3.8Å; F891-F919 HydrophobicContact CE2-CG 3.8Å; F891-F919 HydrophobicContact CZ-CD2 4.43Å; F891-F919 HydrophobicContact CZ-CG 4.49Å; Q907-F919 HydrophobicContact CB-CD2 4.23Å; Q907-F919 HydrophobicContact CB-CE2 3.76Å; Q907-F919 HydrophobicContact CG-CD2 3.86Å; Q907-F919 HydrophobicContact CG-CE2 3.85Å; Q907-F919 WeakPolarHBondContact O-CE2 3.38Å; I910-F919 HydrophobicContact CB-CE1 4.5Å; I910-F919 HydrophobicContact CB-CZ 4.16Å; I910-F919 HydrophobicContact CG2-CE1 3.79Å; I910-F919 HydrophobicContact CG2-CZ 3.92Å; R911-F919 HydrophobicContact CB-CE2 4.34Å; R911-F919 HydrophobicContact CB-CZ 4.02Å; A917-F919 HydrophobicContact CB-CD1 4.43Å; A917-F919 HydrophobicContact CB-CE1 4.09Å
920	I	93.7	Very high	89.4	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	137.2	-177.9	-60.7	172	0	0	0	108.1	N888 V889 V890 F891 D932 L935 I936	N888-I920 HydrophobicContact CB-CD1 4.07Å; V889-I920 PolarHBondContact O-N 3.42Å; V890-I920 CarbonylContact C-O 3.56Å; V890-I920 WeakPolarHBondContact CA-O 3.48Å; V890-I920 HydrophobicContact CG2-CB 3.97Å; V890-I920 HydrophobicContact CG2-CD1 4.26Å; V890-I920 HydrophobicContact CG2-CG2 4.22Å; F891-I920 PolarHBondContact N-O 3.16Å; I920-D932 HydrophobicContact CD1-CB 4.21Å; I920-D932 HydrophobicContact CG1-CB 4.27Å; I920-D932 HydrophobicContact CG2-CB 3.81Å; I920-L935 HydrophobicContact CD1-CB 4.33Å; I920-I936 HydrophobicContact CD1-CD1 3.95Å; I920-I936 HydrophobicContact CD1-CG1 3.66Å
921	L	91.8	Very high	89.1	Confident	75 Å²	75	54.3 Å²	54.3	39%	0.393	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	114.9	178.3	-62.9	-177.2	0	0	0	108.6	F891 T895 L903	F891-L921 HydrophobicContact CB-CD2 4.06Å; F891-L921 HydrophobicContact CD2-CD2 4.08Å; F891-L921 HydrophobicContact CG-CD2 4.42Å; T895-L921 HydrophobicContact CG2-CB 4.02Å; T895-L921 HydrophobicContact CG2-CD2 4.04Å; L903-L921 HydrophobicContact CD2-CD2 4.43Å
922	A	89.9	Confident	89	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.008	27%	0.271	C	S	.	.			trans	-141.8	83.5	-176.4	0	0	0	0	0	111.6	V890 F891 T892 N924 G925 I926 V927	V890-A922 HydrophobicContact CG1-CB 3.56Å; F891-A922 CarbonylContact O-C 3.43Å; F891-A922 PolarHBondContact O-N 2.95Å; T892-A922 WeakPolarHBondContact CA-O 3.35Å; A922-N924 PolarHBondContact O-N 3.41Å; A922-G925 WeakPolarHBondContact O-CA 3.16Å; A922-G925 PolarHBondContact O-N 2.77Å; A922-I926 WeakPolarHBondContact CA-O 3.1Å; A922-I926 WeakPolarHBondContact CB-O 3.25Å; A922-V927 HydrophobicContact CB-CG2 3.89Å
923	E	86.9	Confident	88.8	Confident	55 Å²	55	48.7 Å²	48.7	26%	0.257	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-53.1	128.1	179.2	-158.7	69.5	-162.5	0	0	111.5	T892 S893 H894 T895 G925 I926	T892-E923 CarbonylContact O-C 3.56Å; T892-E923 WeakPolarHBondContact O-CA 3.39Å; S893-E923 WeakPolarHBondContact CA-OE1 3.23Å; S893-E923 WeakPolarHBondContact CA-OE2 3.26Å; H894-E923 PolarHBondContact N-OE1 3.35Å; H894-E923 PolarHBondContact N-OE2 2.54Å; T895-E923 VanDerWaalsContact CB-OE2 3.28Å; T895-E923 WeakPolarHBondContact CB-OE2 3.13Å; T895-E923 WeakPolarHBondContact CG2-OE2 3.35Å; T895-E923 PolarHBondContact N-OE2 2.87Å; T895-E923 WeakPolarHBondContact OG1-CB 3.42Å; T895-E923 PolarHBondContact OG1-OE2 3.03Å; E923-G925 PolarHBondContact O-N 2.96Å; E923-G925 VanDerWaalsContact O-N 3.13Å; E923-I926 WeakPolarHBondContact O-CB 3.34Å; E923-I926 PolarHBondContact O-N 3.09Å
924	N	83.3	Confident	88.6	Confident	88 Å²	88	54.9 Å²	54.9	47%	0.471	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	53.3	26.9	-175.6	-55.1	-60.3	0	0	0	114.2	T892 A922 I926	T892-N924 PolarHBondContact O-N 3.01Å; A922-N924 PolarHBondContact O-N 3.41Å; N924-I926 VanDerWaalsContact C-N 3.33Å
925	G	82.8	Confident	88.4	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.01	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	77.9	12.6	-177.3	0	0	0	0	0	114.6	L763 A922 E923	L763-G925 WeakPolarHBondContact CA-O 3.26Å; L763-G925 VanDerWaalsContact CD1-O 3.32Å; L763-G925 WeakPolarHBondContact CD1-O 3.43Å; A922-G925 WeakPolarHBondContact O-CA 3.16Å; A922-G925 PolarHBondContact O-N 2.77Å; E923-G925 PolarHBondContact O-N 2.96Å; E923-G925 VanDerWaalsContact O-N 3.13Å
926	I	86.5	Confident	88.5	Confident	92 Å²	92	55.4 Å²	55.4	47%	0.472	29%	0.291	S	S	.	.			trans	-95.7	114.8	179.7	-57	175.8	0	0	0	109.9	F766 A922 E923 N924	F766-I926 HydrophobicContact CD2-CG2 4.4Å; F766-I926 HydrophobicContact CE2-CG2 4.05Å; F766-I926 HydrophobicContact CZ-CG2 4.49Å; A922-I926 WeakPolarHBondContact CA-O 3.1Å; A922-I926 WeakPolarHBondContact CB-O 3.25Å; E923-I926 WeakPolarHBondContact O-CB 3.34Å; E923-I926 PolarHBondContact O-N 3.09Å; N924-I926 VanDerWaalsContact C-N 3.33Å
927	V	86.6	Confident	88.5	Confident	5 Å²	5	53.1 Å²	53.1	3%	0.03	27%	0.27	C	S	.	.			trans	-91	130.5	178.3	-173.4	0	0	0	0	109.9	L763 F766 A922 D932 I933 I936	L763-V927 HydrophobicContact CD1-CG2 3.48Å; L763-V927 VanDerWaalsContact CD1-CG2 3.48Å; F766-V927 HydrophobicContact CE1-CB 3.96Å; F766-V927 WeakPolarHBondContact CZ-O 3.39Å; A922-V927 HydrophobicContact CB-CG2 3.89Å; V927-D932 HydrophobicContact CG1-CB 3.68Å; V927-I933 HydrophobicContact CB-CG1 4.09Å; V927-I933 HydrophobicContact CG1-CD1 4.49Å; V927-I933 HydrophobicContact CG1-CG1 3.69Å; V927-I936 HydrophobicContact CG2-CD1 4.04Å
928	T	84	Confident	88.3	Confident	119 Å²	119	54.1 Å²	54.1	73%	0.73	28%	0.277	S	S	*	.			trans	-101.8	-28.4	-175.2	55.6	0	0	0	0	114
929	R	85.1	Confident	88	Confident	131 Å²	131	56.5 Å²	56.5	49%	0.494	28%	0.283	S	S	.	.			trans	-99	133.4	-178.1	-63.6	170.3	62.1	-157.2	3.3	111	E931 D932 I933	R929-E931 VanDerWaalsContact C-N 3.33Å; R929-E931 IonicContact CZ-OE2 2.82Å; R929-E931 IonicContact NE-OE2 2.9Å; R929-E931 IonicContact NH2-OE2 3.21Å; R929-E931 PolarHBondContact NH2-OE2 3.03Å; R929-E931 PolarHBondContact O-N 2.89Å; R929-D932 HydrophobicContact CB-CB 4.32Å; R929-D932 WeakPolarHBondContact CB-OD2 3.17Å; R929-D932 WeakPolarHBondContact CD-OD2 3.31Å; R929-D932 IonicContact CZ-OD1 2.7Å; R929-D932 IonicContact NH1-OD1 3.59Å; R929-D932 IonicContact NH1-OD2 2.8Å; R929-D932 PolarHBondContact O-N 2.7Å; R929-I933 PolarHBondContact O-N 3.29Å
930	N	84.2	Confident	87.7	Confident	114 Å²	114	59.7 Å²	59.7	61%	0.61	30%	0.302	S	S	*	.	H	α-helix	trans	-63.7	-37.2	177.6	-72.8	-22.2	0	0	0	112.8	D932 I933 E934	N930-D932 VanDerWaalsContact C-N 3.25Å; N930-D932 PolarHBondContact O-N 3.24Å; N930-I933 WeakPolarHBondContact O-CB 3.23Å; N930-I933 PolarHBondContact O-N 3.49Å; N930-E934 PolarHBondContact O-N 3.23Å
931	E	87.4	Confident	87.5	Confident	118 Å²	118	61.1 Å²	61.1	55%	0.551	31%	0.312	S	S	*	.	H	α-helix	trans	-56.3	-40.3	175.7	-64.5	171.1	174.6	0	0	111.8	R929 I933 E934 L935	R929-E931 VanDerWaalsContact C-N 3.33Å; R929-E931 IonicContact CZ-OE2 2.82Å; R929-E931 IonicContact NE-OE2 2.9Å; R929-E931 IonicContact NH2-OE2 3.21Å; R929-E931 PolarHBondContact NH2-OE2 3.03Å; R929-E931 PolarHBondContact O-N 2.89Å; E931-I933 VanDerWaalsContact C-N 3.31Å; E931-I933 PolarHBondContact O-N 3.45Å; E931-E934 PolarHBondContact O-N 2.77Å; E931-L935 WeakPolarHBondContact O-CG 3.49Å; E931-L935 PolarHBondContact O-N 3.03Å
932	D	89.9	Confident	87.5	Confident	12 Å²	12	58.1 Å²	58.1	6%	0.064	30%	0.296	C	S	.	.	H	α-helix	trans	-68.2	-32.8	178.9	-64.5	-20.8	0	0	0	111.3	I920 V927 R929 N930 L935 I936	I920-D932 HydrophobicContact CD1-CB 4.21Å; I920-D932 HydrophobicContact CG1-CB 4.27Å; I920-D932 HydrophobicContact CG2-CB 3.81Å; V927-D932 HydrophobicContact CG1-CB 3.68Å; R929-D932 HydrophobicContact CB-CB 4.32Å; R929-D932 WeakPolarHBondContact CB-OD2 3.17Å; R929-D932 WeakPolarHBondContact CD-OD2 3.31Å; R929-D932 IonicContact CZ-OD1 2.7Å; R929-D932 IonicContact NH1-OD1 3.59Å; R929-D932 IonicContact NH1-OD2 2.8Å; R929-D932 PolarHBondContact O-N 2.7Å; N930-D932 VanDerWaalsContact C-N 3.25Å; N930-D932 PolarHBondContact O-N 3.24Å; D932-L935 PolarHBondContact O-N 3.09Å; D932-I936 VanDerWaalsContact O-CG1 3.3Å; D932-I936 WeakPolarHBondContact O-CG1 3.09Å; D932-I936 PolarHBondContact O-N 3.45Å; D932-I936 VanDerWaalsContact O-N 3.12Å
933	I	87.6	Confident	87.4	Confident	3 Å²	3	61.2 Å²	61.2	2%	0.015	32%	0.317	C	S	.	.	H	α-helix	trans	-69.7	-40.1	174.6	-56.9	171.4	0	0	0	110.8	F766 L767 L770 H771 V927 R929 N930 E931 L935 I936 L937	F766-I933 HydrophobicContact CE1-CD1 4.3Å; L767-I933 HydrophobicContact CD2-CG2 3.9Å; L770-I933 HydrophobicContact CD2-CD1 3.54Å; H771-I933 WeakPolarHBondContact CE1-CG2 3.48Å; V927-I933 HydrophobicContact CB-CG1 4.09Å; V927-I933 HydrophobicContact CG1-CD1 4.49Å; V927-I933 HydrophobicContact CG1-CG1 3.69Å; R929-I933 PolarHBondContact O-N 3.29Å; N930-I933 WeakPolarHBondContact O-CB 3.23Å; N930-I933 PolarHBondContact O-N 3.49Å; E931-I933 VanDerWaalsContact C-N 3.31Å; E931-I933 PolarHBondContact O-N 3.45Å; I933-L935 VanDerWaalsContact C-N 3.29Å; I933-L935 PolarHBondContact O-N 3.13Å; I933-I936 PolarHBondContact O-N 2.89Å; I933-L937 HydrophobicContact CG2-CD1 3.79Å; I933-L937 HydrophobicContact CG2-CG 4.24Å; I933-L937 WeakPolarHBondContact O-CB 3.33Å; I933-L937 WeakPolarHBondContact O-CG 3.39Å; I933-L937 PolarHBondContact O-N 3.35Å
934	E	87.9	Confident	87.6	Confident	134 Å²	134	60.4 Å²	60.4	63%	0.626	32%	0.318	S	S	*	.	H	α-helix	trans	-62.3	-36.5	175.1	-69.8	-177.5	176.6	0	0	112	N930 E931 L937 S938	N930-E934 PolarHBondContact O-N 3.23Å; E931-E934 PolarHBondContact O-N 2.77Å; E934-L937 CarbonylContact O-C 3.58Å; E934-L937 PolarHBondContact O-N 3.37Å; E934-S938 WeakPolarHBondContact O-CA 3.13Å; E934-S938 PolarHBondContact O-N 3.42Å
935	L	89.9	Confident	87.9	Confident	74 Å²	74	59.1 Å²	59.1	39%	0.387	32%	0.315	S	S	.	.	H	α-helix	trans	-64.7	-46.3	173.3	-70.2	173.5	0	0	0	112.1	N888 A918 I920 E931 D932 I933 L937 S938	N888-L935 PolarHBondContact ND2-O 2.9Å; A918-L935 HydrophobicContact CB-CD1 4.24Å; I920-L935 HydrophobicContact CD1-CB 4.33Å; E931-L935 WeakPolarHBondContact O-CG 3.49Å; E931-L935 PolarHBondContact O-N 3.03Å; D932-L935 PolarHBondContact O-N 3.09Å; I933-L935 VanDerWaalsContact C-N 3.29Å; I933-L935 PolarHBondContact O-N 3.13Å; L935-L937 VanDerWaalsContact C-N 3.3Å; L935-L937 PolarHBondContact O-N 3.02Å; L935-S938 PolarHBondContact O-N 2.85Å
936	I	90.2	Very high	88.1	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-64	-36.5	178.3	-65.7	166.6	0	0	0	111.3	L763 L767 A856 T858 V890 I920 V927 D932 I933	L763-I936 HydrophobicContact CD1-CD1 4.47Å; L767-I936 HydrophobicContact CD1-CG2 3.92Å; A856-I936 WeakPolarHBondContact CB-O 3.39Å; T858-I936 HydrophobicContact CG2-CG1 4.2Å; T858-I936 HydrophobicContact CG2-CG2 4.49Å; V890-I936 HydrophobicContact CG2-CD1 4.04Å; V890-I936 HydrophobicContact CG2-CG1 4.46Å; I920-I936 HydrophobicContact CD1-CD1 3.95Å; I920-I936 HydrophobicContact CD1-CG1 3.66Å; V927-I936 HydrophobicContact CG2-CD1 4.04Å; D932-I936 VanDerWaalsContact O-CG1 3.3Å; D932-I936 WeakPolarHBondContact O-CG1 3.09Å; D932-I936 PolarHBondContact O-N 3.45Å; D932-I936 VanDerWaalsContact O-N 3.12Å; I933-I936 PolarHBondContact O-N 2.89Å
937	L	89	Confident	88.3	Confident	14 Å²	14	62.8 Å²	62.8	7%	0.073	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	17	-176.8	-60.5	-176.6	0	0	0	114	L767 W777 R822 I933 E934 L935	L767-L937 HydrophobicContact CD1-CD2 4.44Å; L767-L937 HydrophobicContact CD2-CD1 4.35Å; L767-L937 HydrophobicContact CD2-CG 4.47Å; W777-L937 HydrophobicContact CH2-CD1 3.8Å; W777-L937 HydrophobicContact CH2-CD2 3.68Å; W777-L937 HydrophobicContact CH2-CG 4.4Å; W777-L937 HydrophobicContact CZ2-CD1 4.22Å; W777-L937 HydrophobicContact CZ3-CD2 4.21Å; R822-L937 PolarHBondContact NH1-O 3.44Å; R822-L937 PolarHBondContact NH2-O 3.45Å; I933-L937 HydrophobicContact CG2-CD1 3.79Å; I933-L937 HydrophobicContact CG2-CG 4.24Å; I933-L937 WeakPolarHBondContact O-CB 3.33Å; I933-L937 WeakPolarHBondContact O-CG 3.39Å; I933-L937 PolarHBondContact O-N 3.35Å; E934-L937 CarbonylContact O-C 3.58Å; E934-L937 PolarHBondContact O-N 3.37Å; L935-L937 VanDerWaalsContact C-N 3.3Å; L935-L937 PolarHBondContact O-N 3.02Å
938	S	89.1	Confident	88.6	Confident	24 Å²	24	63.5 Å²	63.5	17%	0.168	33%	0.333	C	S	.	.			trans	-54	140.5	178.8	177.4	0	0	0	0	111.8	G855 A856 E934 L935 N940 S941	G855-S938 CarbonylContact C-O 3.52Å; G855-S938 WeakPolarHBondContact CA-O 3.39Å; A856-S938 PolarHBondContact N-O 3.15Å; E934-S938 WeakPolarHBondContact O-CA 3.13Å; E934-S938 PolarHBondContact O-N 3.42Å; L935-S938 PolarHBondContact O-N 2.85Å; S938-N940 PolarHBondContact OG-N 3.24Å; S938-N940 PolarHBondContact OG-OD1 3.02Å; S938-S941 WeakPolarHBondContact OG-CB 3.44Å; S938-S941 PolarHBondContact OG-N 3.09Å; S938-S941 VanDerWaalsContact OG-N 3.14Å
939	E	87.6	Confident	88.9	Confident	79 Å²	79	59.5 Å²	59.5	37%	0.369	31%	0.305	S	S	.	.	S	Bend	trans	-86	-17.5	179.8	-58.4	-159.8	166.4	0	0	112.9	I748 K820 R822 G855	I748-E939 HydrophobicContact CD1-CB 3.78Å; I748-E939 HydrophobicContact CD1-CG 3.41Å; I748-E939 VanDerWaalsContact CD1-CG 3.41Å; I748-E939 WeakPolarHBondContact CD1-OE1 3.35Å; I748-E939 WeakPolarHBondContact CD1-OE2 3.04Å; K820-E939 IonicContact NZ-OE1 3.59Å; K820-E939 PolarHBondContact NZ-OE1 3.49Å; K820-E939 IonicContact NZ-OE2 2.82Å; K820-E939 PolarHBondContact NZ-OE2 2.89Å; R822-E939 IonicContact CZ-OE1 2.81Å; R822-E939 IonicContact NH2-OE1 3.39Å; R822-E939 PolarHBondContact NH2-OE1 2.81Å; G855-E939 WeakPolarHBondContact CA-O 3.28Å
940	N	87.6	Confident	89.2	Confident	112 Å²	112	54.5 Å²	54.5	60%	0.599	29%	0.29	S	S	*	.	S	Bend	trans	-138.2	-4.7	-166.7	60.1	-4.2	0	0	0	115.2	S938 F942 S943 S944	S938-N940 PolarHBondContact OG-N 3.24Å; S938-N940 PolarHBondContact OG-OD1 3.02Å; N940-F942 VanDerWaalsContact C-N 3.29Å; N940-F942 PolarHBondContact O-N 3.17Å; N940-S943 CarbonylContact O-C 3.57Å; N940-S943 PolarHBondContact O-N 3.45Å; N940-S944 PolarHBondContact O-N 2.92Å; N940-S944 VanDerWaalsContact O-N 3.1Å
941	S	89.6	Confident	89.6	Confident	32 Å²	32	49.1 Å²	49.1	22%	0.224	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-52.6	-45.2	-178.2	-179	0	0	0	0	112.9	G855 S887 S938 S943 S944	G855-S941 PolarHBondContact O-N 2.87Å; S887-S941 WeakPolarHBondContact CB-OG 3.49Å; S938-S941 WeakPolarHBondContact OG-CB 3.44Å; S938-S941 PolarHBondContact OG-N 3.09Å; S938-S941 VanDerWaalsContact OG-N 3.14Å; S941-S943 VanDerWaalsContact C-N 3.28Å; S941-S943 PolarHBondContact O-N 3.35Å; S941-S944 WeakPolarHBondContact O-CB 3.07Å; S941-S944 PolarHBondContact O-N 3.46Å; S941-S944 PolarHBondContact O-OG 3.36Å
942	F	91.4	Very high	89.8	Confident	11 Å²	11	44.3 Å²	44.3	5%	0.048	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-64.7	-29.8	178.8	-177.7	-93.5	0	0	0	113.8	V837 I854 G855 I857 N940 R951	V837-F942 HydrophobicContact CG1-CZ 3.89Å; V837-F942 HydrophobicContact CG2-CE2 4.04Å; V837-F942 HydrophobicContact CG2-CZ 3.96Å; I854-F942 HydrophobicContact CB-CB 4.48Å; I854-F942 HydrophobicContact CB-CD1 3.73Å; I854-F942 HydrophobicContact CB-CD2 4.35Å; I854-F942 HydrophobicContact CB-CE1 3.86Å; I854-F942 HydrophobicContact CB-CE2 4.43Å; I854-F942 HydrophobicContact CB-CG 3.96Å; I854-F942 HydrophobicContact CB-CZ 4.17Å; I854-F942 HydrophobicContact CD1-CE1 3.91Å; I854-F942 HydrophobicContact CD1-CE2 4.14Å; I854-F942 HydrophobicContact CD1-CZ 3.59Å; I854-F942 HydrophobicContact CG1-CE1 4.41Å; I854-F942 HydrophobicContact CG1-CZ 4.46Å; I854-F942 HydrophobicContact CG2-CB 3.97Å; I854-F942 HydrophobicContact CG2-CD1 3.92Å; I854-F942 HydrophobicContact CG2-CD2 3.65Å; I854-F942 HydrophobicContact CG2-CE1 4.22Å; I854-F942 HydrophobicContact CG2-CE2 3.94Å; I854-F942 HydrophobicContact CG2-CG 3.59Å; I854-F942 HydrophobicContact CG2-CZ 4.19Å; G855-F942 VanDerWaalsContact O-CB 3.3Å; G855-F942 WeakPolarHBondContact O-CB 3.41Å; G855-F942 PolarHBondContact O-N 2.93Å; I857-F942 HydrophobicContact CD1-CD2 3.7Å; I857-F942 HydrophobicContact CD1-CE2 3.4Å; I857-F942 HydrophobicContact CG1-CD2 3.85Å; I857-F942 HydrophobicContact CG1-CE2 4.08Å; N940-F942 VanDerWaalsContact C-N 3.29Å; N940-F942 PolarHBondContact O-N 3.17Å; F942-R951 VanDerWaalsContact CD1-NH2 3.32Å; F942-R951 VanDerWaalsContact CE1-NH2 3.26Å; F942-R951 VanDerWaalsContact CG-NH2 3.28Å; F942-R951 PolarHBondContact O-NH2 2.98Å
943	S	88.9	Confident	89.8	Confident	66 Å²	66	44.5 Å²	44.5	46%	0.462	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-96.2	5.2	-178.8	-56.4	0	0	0	0	112.9	N940 S941	N940-S943 CarbonylContact O-C 3.57Å; N940-S943 PolarHBondContact O-N 3.45Å; S941-S943 VanDerWaalsContact C-N 3.28Å; S941-S943 PolarHBondContact O-N 3.35Å
944	S	90.6	Very high	90	Very high	38 Å²	38	44.8 Å²	44.8	27%	0.266	24%	0.24	S	C	.	.	S	Bend	trans	-58.6	145.6	177.1	61.1	0	0	0	0	111.1	N940 S941 E946 M947 L948	N940-S944 PolarHBondContact O-N 2.92Å; N940-S944 VanDerWaalsContact O-N 3.1Å; S941-S944 WeakPolarHBondContact O-CB 3.07Å; S941-S944 PolarHBondContact O-N 3.46Å; S941-S944 PolarHBondContact O-OG 3.36Å; S944-E946 PolarHBondContact O-N 3.15Å; S944-M947 PolarHBondContact O-N 3.14Å; S944-M947 VanDerWaalsContact OG-CB 3.27Å; S944-M947 WeakPolarHBondContact OG-CB 3.17Å; S944-M947 WeakPolarHBondContact OG-CG 3.37Å; S944-L948 WeakPolarHBondContact O-CB 3.43Å; S944-L948 PolarHBondContact O-N 3.11Å
945	P	89.8	Confident	90.2	Very high	62 Å²	62	38.6 Å²	38.6	40%	0.403	21%	0.211	S	C	.	.	H	α-helix	trans	-51.8	-41.8	-178	-31.7	37.3	0	0	0	113.9	V729 R949	V729-P945 HydrophobicContact CG1-CB 3.78Å; V729-P945 WeakPolarHBondContact CG1-O 3.45Å; P945-R949 WeakPolarHBondContact O-CB 3.44Å; P945-R949 PolarHBondContact O-N 3.25Å
946	E	88	Confident	90.3	Very high	154 Å²	154	35.8 Å²	35.8	72%	0.72	20%	0.197	S	C	*	.	H	α-helix	trans	-66.9	-47.9	179.3	-63.5	-178.6	179.7	0	0	112.2	S944 L948 R949 S950	S944-E946 PolarHBondContact O-N 3.15Å; E946-L948 PolarHBondContact O-N 3.29Å; E946-R949 PolarHBondContact O-N 2.84Å; E946-S950 WeakPolarHBondContact O-CB 3.5Å; E946-S950 PolarHBondContact O-N 3.28Å; E946-S950 PolarHBondContact O-OG 3.47Å
947	M	90.6	Very high	90.3	Very high	15 Å²	15	36.1 Å²	36.1	7%	0.074	20%	0.201	C	C	.	.	H	α-helix	trans	-62.4	-42.9	177.7	-74.4	-78.6	-76.7	0	0	111.6	L885 S944 S950 R951	L885-M947 WeakPolarHBondContact O-CE 3.44Å; S944-M947 PolarHBondContact O-N 3.14Å; S944-M947 VanDerWaalsContact OG-CB 3.27Å; S944-M947 WeakPolarHBondContact OG-CB 3.17Å; S944-M947 WeakPolarHBondContact OG-CG 3.37Å; M947-S950 PolarHBondContact O-N 3.42Å; M947-R951 VanDerWaalsContact O-CB 3.25Å; M947-R951 WeakPolarHBondContact O-CB 3.39Å; M947-R951 PolarHBondContact O-N 3.02Å
948	L	91.8	Very high	90.4	Very high	20 Å²	20	35.7 Å²	35.7	11%	0.105	20%	0.199	C	C	.	.	H	α-helix	trans	-61.3	-46.5	177.3	-175.9	62.2	0	0	0	111	H726 V729 S944 E946 R951 Y952 W958	H726-L948 HydrophobicContact CB-CD2 4.1Å; V729-L948 HydrophobicContact CB-CD2 4.42Å; V729-L948 HydrophobicContact CG1-CD2 4.09Å; S944-L948 WeakPolarHBondContact O-CB 3.43Å; S944-L948 PolarHBondContact O-N 3.11Å; E946-L948 PolarHBondContact O-N 3.29Å; L948-R951 PolarHBondContact O-N 3Å; L948-Y952 HydrophobicContact CD1-CD2 4.11Å; L948-Y952 HydrophobicContact CD1-CE2 3.82Å; L948-Y952 HydrophobicContact CG-CD2 4.33Å; L948-Y952 HydrophobicContact CG-CE2 4.31Å; L948-Y952 WeakPolarHBondContact O-CD2 3.5Å; L948-Y952 PolarHBondContact O-N 2.84Å; L948-W958 HydrophobicContact CD1-CZ2 4.3Å
949	R	90.9	Very high	90.4	Very high	36 Å²	36	36.8 Å²	36.8	14%	0.136	20%	0.199	C	C	.	.	H	α-helix	trans	-62	-51.5	176.6	-175.9	179.9	164.9	116.3	2.9	111.4	L730 Q732 P945 E946 R951 Y952 L953	L730-R949 HydrophobicContact CD2-CB 4.21Å; L730-R949 HydrophobicContact CD2-CG 4.25Å; L730-R949 PolarHBondContact O-NH1 2.91Å; Q732-R949 VanDerWaalsContact NE2-CZ 3.32Å; P945-R949 WeakPolarHBondContact O-CB 3.44Å; P945-R949 PolarHBondContact O-N 3.25Å; E946-R949 PolarHBondContact O-N 2.84Å; R949-R951 PolarHBondContact O-N 3.17Å; R949-Y952 PolarHBondContact O-N 2.82Å; R949-L953 HydrophobicContact CG-CD1 3.96Å; R949-L953 HydrophobicContact CG-CG 4.49Å; R949-L953 WeakPolarHBondContact O-CG 3.24Å; R949-L953 PolarHBondContact O-N 2.97Å
950	S	90.9	Very high	90.4	Very high	26 Å²	26	35.5 Å²	35.5	18%	0.182	19%	0.193	C	C	.	.	H	α-helix	trans	-54.6	-42.8	177.7	-74.1	0	0	0	0	111.7	Q883 E946 M947 Y952 L953 M954	Q883-S950 PolarHBondContact NE2-OG 3.4Å; E946-S950 WeakPolarHBondContact O-CB 3.5Å; E946-S950 PolarHBondContact O-N 3.28Å; E946-S950 PolarHBondContact O-OG 3.47Å; M947-S950 PolarHBondContact O-N 3.42Å; S950-Y952 PolarHBondContact O-N 2.6Å; S950-L953 PolarHBondContact O-N 3.32Å; S950-M954 WeakPolarHBondContact O-CB 3.49Å; S950-M954 WeakPolarHBondContact O-CG 3.32Å; S950-M954 PolarHBondContact O-N 3.34Å
951	R	92.1	Very high	90.3	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	18%	0.18	C	C	.	.	H	α-helix	trans	-62.4	-43.3	-179.6	-171.5	-161.1	-50	-90.9	2.9	113.6	G884 L885 F942 M947 L948 R949 L953 Y955 W958	G884-R951 PolarHBondContact O-NE 2.96Å; G884-R951 PolarHBondContact O-NH1 2.99Å; G884-R951 PolarHBondContact O-NH2 2.94Å; L885-R951 HydrophobicContact CD2-CG 4Å; F942-R951 VanDerWaalsContact CD1-NH2 3.32Å; F942-R951 VanDerWaalsContact CE1-NH2 3.26Å; F942-R951 VanDerWaalsContact CG-NH2 3.28Å; F942-R951 PolarHBondContact O-NH2 2.98Å; M947-R951 VanDerWaalsContact O-CB 3.25Å; M947-R951 WeakPolarHBondContact O-CB 3.39Å; M947-R951 PolarHBondContact O-N 3.02Å; L948-R951 PolarHBondContact O-N 3Å; R949-R951 PolarHBondContact O-N 3.17Å; R951-L953 VanDerWaalsContact C-N 3.31Å; R951-L953 PolarHBondContact O-N 3.09Å; R951-Y955 HydrophobicContact CB-CD2 4.46Å; R951-Y955 HydrophobicContact CG-CD2 3.98Å; R951-Y955 WeakPolarHBondContact O-CB 3.47Å; R951-Y955 WeakPolarHBondContact O-CD2 3.42Å; R951-Y955 PolarHBondContact O-N 2.73Å; R951-W958 HydrophobicContact CG-CD2 4.05Å; R951-W958 HydrophobicContact CG-CG 4.28Å; R951-W958 HydrophobicContact CG-CZ2 4.29Å
952	Y	91.9	Very high	90.2	Very high	16 Å²	16	35.5 Å²	35.5	6%	0.063	19%	0.193	C	C	.	.	H	α-helix	trans	-64.3	-36.1	176	-89.9	-78.2	0	0	0	112.6	V722 H726 L730 L948 R949 S950 W958	V722-Y952 HydrophobicContact CB-CD1 4.41Å; V722-Y952 HydrophobicContact CB-CE1 4.07Å; V722-Y952 HydrophobicContact CG1-CD1 3.86Å; V722-Y952 HydrophobicContact CG1-CE1 3.99Å; H726-Y952 HydrophobicContact CB-CE2 4.04Å; H726-Y952 AromaticContact ND1-CE2 3.43Å; H726-Y952 WeakPolarHBondContact ND1-CE2 3.35Å; H726-Y952 AromaticContact ND1-CZ 3.58Å; H726-Y952 PolarHBondContact ND1-OH 3.43Å; L730-Y952 HydrophobicContact CD1-CD1 4.44Å; L730-Y952 HydrophobicContact CD1-CD2 4.1Å; L730-Y952 HydrophobicContact CD1-CE2 4.43Å; L730-Y952 HydrophobicContact CD1-CG 4.08Å; L730-Y952 HydrophobicContact CD2-CD2 3.72Å; L730-Y952 HydrophobicContact CD2-CG 3.99Å; L730-Y952 HydrophobicContact CG-CD2 4.36Å; L948-Y952 HydrophobicContact CD1-CD2 4.11Å; L948-Y952 HydrophobicContact CD1-CE2 3.82Å; L948-Y952 HydrophobicContact CG-CD2 4.33Å; L948-Y952 HydrophobicContact CG-CE2 4.31Å; L948-Y952 WeakPolarHBondContact O-CD2 3.5Å; L948-Y952 PolarHBondContact O-N 2.84Å; R949-Y952 PolarHBondContact O-N 2.82Å; S950-Y952 PolarHBondContact O-N 2.6Å; Y952-W958 AromaticContact CD1-NE1 3.68Å; Y952-W958 HydrophobicContact CD2-CZ2 4.45Å; Y952-W958 AromaticContact CD2-NE1 3.89Å; Y952-W958 AromaticContact CE1-NE1 3.74Å; Y952-W958 AromaticContact CE2-CZ2 3.95Å; Y952-W958 HydrophobicContact CE2-CZ2 3.95Å; Y952-W958 AromaticContact CE2-NE1 3.97Å; Y952-W958 AromaticContact CG-NE1 3.76Å; Y952-W958 AromaticContact CZ-NE1 3.9Å
953	L	91.2	Very high	89.9	Confident	16 Å²	16	36.4 Å²	36.4	8%	0.084	20%	0.198	C	C	.	.	H	α-helix	trans	-77.8	-36.3	-179.6	-57.6	174	0	0	0	112.1	R33 I714 I717 R949 S950 R951	R33-L953 PolarHBondContact NH2-O 2.74Å; I714-L953 HydrophobicContact CG1-CD2 4.01Å; I717-L953 HydrophobicContact CD1-CB 3.81Å; I717-L953 HydrophobicContact CD1-CD2 3.51Å; I717-L953 HydrophobicContact CD1-CG 4.17Å; I717-L953 WeakPolarHBondContact CG2-O 3.23Å; R949-L953 HydrophobicContact CG-CD1 3.96Å; R949-L953 HydrophobicContact CG-CG 4.49Å; R949-L953 WeakPolarHBondContact O-CG 3.24Å; R949-L953 PolarHBondContact O-N 2.97Å; S950-L953 PolarHBondContact O-N 3.32Å; R951-L953 VanDerWaalsContact C-N 3.31Å; R951-L953 PolarHBondContact O-N 3.09Å
954	M	91.6	Very high	89.7	Confident	9 Å²	9	39.4 Å²	39.4	4%	0.044	21%	0.209	C	C	.	.	H	α-helix	trans	-80.3	-35.8	-179.8	-65.2	-58.2	-71.7	0	0	112.4	P25 S26 C29 R33 H123 S950	P25-M954 HydrophobicContact CB-CE 4.44Å; P25-M954 HydrophobicContact CB-SD 4.21Å; S26-M954 VanDerWaalsContact CA-SD 3.6Å; C29-M954 HydrophobicContact CB-CE 4.44Å; C29-M954 WeakPolarHBondContact SG-CE 3.49Å; R33-M954 PolarHBondContact NH1-O 3.14Å; H123-M954 HydrophobicContact CB-CE 3.9Å; S950-M954 WeakPolarHBondContact O-CB 3.49Å; S950-M954 WeakPolarHBondContact O-CG 3.32Å; S950-M954 PolarHBondContact O-N 3.34Å
955	Y	92.5	Very high	89.3	Confident	4 Å²	4	37.8 Å²	37.8	2%	0.016	20%	0.198	C	C	.	.	S	Bend	trans	-128.7	64.4	-171.2	-46.9	-74.5	0	0	0	113.4	I834 S882 Q883 L885 R951 G957 W958 L963	I834-Y955 HydrophobicContact CD1-CD1 4.49Å; I834-Y955 HydrophobicContact CD1-CD2 4.38Å; I834-Y955 HydrophobicContact CD1-CG 4.14Å; S882-Y955 WeakPolarHBondContact CB-OH 3.48Å; S882-Y955 PolarHBondContact OG-OH 3.13Å; Q883-Y955 WeakPolarHBondContact O-CE2 3.29Å; Q883-Y955 PolarHBondContact O-OH 3.09Å; L885-Y955 HydrophobicContact CD1-CE1 4.26Å; L885-Y955 HydrophobicContact CD1-CE2 3.99Å; L885-Y955 HydrophobicContact CD2-CD2 4.16Å; L885-Y955 HydrophobicContact CD2-CE2 3.95Å; L885-Y955 HydrophobicContact CG-CD2 4.28Å; L885-Y955 HydrophobicContact CG-CE2 3.6Å; R951-Y955 HydrophobicContact CB-CD2 4.46Å; R951-Y955 HydrophobicContact CG-CD2 3.98Å; R951-Y955 WeakPolarHBondContact O-CB 3.47Å; R951-Y955 WeakPolarHBondContact O-CD2 3.42Å; R951-Y955 PolarHBondContact O-N 2.73Å; Y955-G957 PolarHBondContact O-N 2.75Å; Y955-W958 VanDerWaalsContact O-CB 3.27Å; Y955-W958 WeakPolarHBondContact O-CB 3.14Å; Y955-W958 PolarHBondContact O-N 2.98Å; Y955-W958 VanDerWaalsContact O-N 3.14Å; Y955-L963 HydrophobicContact CD1-CD2 3.87Å; Y955-L963 HydrophobicContact CG-CD2 4.35Å
956	P	91.5	Very high	89	Confident	16 Å²	16	35.4 Å²	35.4	10%	0.104	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	139	179.5	-23.9	34.1	0	0	0	113	I717 S718 E720 W958	I717-P956 HydrophobicContact CG2-CG 3.78Å; S718-P956 VanDerWaalsContact OG-CB 3.27Å; S718-P956 WeakPolarHBondContact OG-CB 3.39Å; E720-P956 HydrophobicContact CB-CB 4.32Å; E720-P956 HydrophobicContact CG-CB 4.3Å; P956-W958 VanDerWaalsContact C-N 3.28Å; P956-W958 PolarHBondContact O-N 2.83Å
957	G	90	Very high	88.7	Confident	8 Å²	8	31.4 Å²	31.4	8%	0.082	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	-1.1	-178.2	0	0	0	0	0	115.6	Y955 Y959 E960 G961 K962	Y955-G957 PolarHBondContact O-N 2.75Å; G957-Y959 VanDerWaalsContact C-N 3.25Å; G957-Y959 PolarHBondContact O-N 3.49Å; G957-E960 PolarHBondContact O-N 2.81Å; G957-G961 PolarHBondContact O-N 3.09Å; G957-K962 PolarHBondContact O-N 3.43Å
958	W	91.9	Very high	88.6	Confident	5 Å²	5	32.6 Å²	32.6	2%	0.019	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-55.1	-38.5	179.6	74.4	-85.3	0	0	0	113.3	I834 V837 Q838 Q841 L948 R951 Y952 Y955 P956 E960 G961	I834-W958 HydrophobicContact CD1-CB 4.07Å; V837-W958 HydrophobicContact CG1-CE3 3.92Å; V837-W958 HydrophobicContact CG1-CZ3 3.81Å; Q838-W958 WeakPolarHBondContact CG-O 3.48Å; Q841-W958 HydrophobicContact CG-CZ3 3.9Å; L948-W958 HydrophobicContact CD1-CZ2 4.3Å; R951-W958 HydrophobicContact CG-CD2 4.05Å; R951-W958 HydrophobicContact CG-CG 4.28Å; R951-W958 HydrophobicContact CG-CZ2 4.29Å; Y952-W958 AromaticContact CD1-NE1 3.68Å; Y952-W958 HydrophobicContact CD2-CZ2 4.45Å; Y952-W958 AromaticContact CD2-NE1 3.89Å; Y952-W958 AromaticContact CE1-NE1 3.74Å; Y952-W958 AromaticContact CE2-CZ2 3.95Å; Y952-W958 HydrophobicContact CE2-CZ2 3.95Å; Y952-W958 AromaticContact CE2-NE1 3.97Å; Y952-W958 AromaticContact CG-NE1 3.76Å; Y952-W958 AromaticContact CZ-NE1 3.9Å; Y955-W958 VanDerWaalsContact O-CB 3.27Å; Y955-W958 WeakPolarHBondContact O-CB 3.14Å; Y955-W958 PolarHBondContact O-N 2.98Å; Y955-W958 VanDerWaalsContact O-N 3.14Å; P956-W958 VanDerWaalsContact C-N 3.28Å; P956-W958 PolarHBondContact O-N 2.83Å; W958-E960 PolarHBondContact O-N 3.47Å; W958-G961 PolarHBondContact O-N 2.88Å
959	Y	88.6	Confident	88.3	Confident	46 Å²	46	33.6 Å²	33.6	18%	0.18	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-65.9	-28.4	-175.2	-163.5	-79.6	0	0	0	112.3	M723 H726 K849 G957	M723-Y959 HydrophobicContact CE-CD1 3.37Å; M723-Y959 HydrophobicContact CE-CE1 3.11Å; M723-Y959 HydrophobicContact CE-CG 4.46Å; M723-Y959 HydrophobicContact CG-CD1 4.01Å; M723-Y959 HydrophobicContact CG-CD2 4.42Å; M723-Y959 HydrophobicContact CG-CE1 3.93Å; M723-Y959 HydrophobicContact CG-CE2 4.32Å; M723-Y959 HydrophobicContact CG-CG 4.27Å; M723-Y959 HydrophobicContact SD-CE1 4.31Å; H726-Y959 AromaticContact CE1-CE2 3.75Å; K849-Y959 PolarHBondContact NZ-OH 3.25Å; G957-Y959 VanDerWaalsContact C-N 3.25Å; G957-Y959 PolarHBondContact O-N 3.49Å
960	E	86.8	Confident	88.1	Confident	53 Å²	53	32.4 Å²	32.4	25%	0.248	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-96.5	2.2	179.9	-59.9	-163.3	142.6	0	0	113.2	K487 G957 W958 K962	K487-E960 WeakPolarHBondContact CD-OE1 3.34Å; K487-E960 IonicContact NZ-OE1 3.63Å; K487-E960 PolarHBondContact NZ-OE1 2.8Å; G957-E960 PolarHBondContact O-N 2.81Å; W958-E960 PolarHBondContact O-N 3.47Å; E960-K962 VanDerWaalsContact C-N 3.33Å; E960-K962 HydrophobicContact CB-CD 4.26Å; E960-K962 HydrophobicContact CB-CG 4.22Å; E960-K962 WeakPolarHBondContact OE2-CE 3.23Å; E960-K962 IonicContact OE2-NZ 2.75Å; E960-K962 PolarHBondContact OE2-NZ 2.79Å
961	G	86.3	Confident	87.9	Confident	31 Å²	31	37 Å²	37	32%	0.32	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	15.4	-177.8	0	0	0	0	0	114.6	Q838 G957 W958	Q838-G961 PolarHBondContact NE2-O 3.25Å; G957-G961 PolarHBondContact O-N 3.09Å; W958-G961 PolarHBondContact O-N 2.88Å
962	K	87.6	Confident	87.8	Confident	113 Å²	113	37.9 Å²	37.9	49%	0.491	21%	0.208	S	C	.	.			trans	-85.1	-19.3	-175.6	-71.3	172.6	171.9	165.9	0	114.7	E720 G957 E960 N964	E720-K962 IonicContact OE1-NZ 2.71Å; E720-K962 WeakPolarHBondContact OE2-CD 3.42Å; E720-K962 IonicContact OE2-NZ 3.86Å; E720-K962 PolarHBondContact OE2-NZ 3.16Å; G957-K962 PolarHBondContact O-N 3.43Å; E960-K962 VanDerWaalsContact C-N 3.33Å; E960-K962 HydrophobicContact CB-CD 4.26Å; E960-K962 HydrophobicContact CB-CG 4.22Å; E960-K962 WeakPolarHBondContact OE2-CE 3.23Å; E960-K962 IonicContact OE2-NZ 2.75Å; E960-K962 PolarHBondContact OE2-NZ 2.79Å; K962-N964 PolarHBondContact O-N 2.83Å
963	L	85.6	Confident	87.6	Confident	30 Å²	30	39.2 Å²	39.2	16%	0.157	22%	0.217	C	C	.	.			trans	-70.8	132.9	179.5	-166.5	87.8	0	0	0	109.7	I834 Q838 Y955	I834-L963 HydrophobicContact CG1-CD2 3.8Å; I834-L963 HydrophobicContact CG2-CD2 4.16Å; Q838-L963 PolarHBondContact NE2-O 3.07Å; Q838-L963 PolarHBondContact OE1-O 3.05Å; Y955-L963 HydrophobicContact CD1-CD2 3.87Å; Y955-L963 HydrophobicContact CG-CD2 4.35Å
964	N	83	Confident	87.4	Confident	128 Å²	128	39.5 Å²	39.5	68%	0.684	22%	0.218	S	C	*	.			trans	-95.7	125	170.6	-173.6	-9.5	0	0	0	109.6	R125 K962 G966	R125-N964 PolarHBondContact NH2-O 2.78Å; K962-N964 PolarHBondContact O-N 2.83Å; N964-G966 PolarHBondContact O-N 3.21Å; N964-G966 PolarHBondContact OD1-N 3.02Å
965	A	82.6	Confident	87.3	Confident	4 Å²	4	40.1 Å²	40.1	3%	0.033	22%	0.221	C	C	.	.			trans	-61.8	-17.2	174.3	0	0	0	0	0	113.4	R125 D832 I834 D835 K876	R125-A965 PolarHBondContact NH2-O 3.11Å; D832-A965 HydrophobicContact CB-CB 3.74Å; I834-A965 HydrophobicContact CG2-CB 4.15Å; D835-A965 VanDerWaalsContact OD1-CB 3.29Å; D835-A965 WeakPolarHBondContact OD1-CB 3.4Å; D835-A965 WeakPolarHBondContact OD2-CB 3.42Å; K876-A965 PolarHBondContact NZ-O 2.96Å
966	G	83	Confident	87.1	Confident	12 Å²	12	41.4 Å²	41.4	12%	0.124	23%	0.23	C	C	.	.			trans	76.1	158.3	-179.2	0	0	0	0	0	111.6	K876 N964	K876-G966 PolarHBondContact NZ-O 3Å; N964-G966 PolarHBondContact O-N 3.21Å; N964-G966 PolarHBondContact OD1-N 3.02Å
967	S	83.2	Confident	86.9	Confident	70 Å²	70	40.8 Å²	40.8	49%	0.49	23%	0.226	S	C	.	.			trans	-66.3	160.9	-176.4	61.5	0	0	0	0	112.8	D103 N126 K876	D103-S967 WeakPolarHBondContact OD2-CB 3.34Å; D103-S967 PolarHBondContact OD2-N 2.86Å; D103-S967 PolarHBondContact OD2-OG 2.86Å; N126-S967 PolarHBondContact ND2-O 3.35Å; K876-S967 PolarHBondContact NZ-O 3.37Å
968	V	87	Confident	86.8	Confident	41 Å²	41	45.9 Å²	45.9	25%	0.248	24%	0.243	C	C	.	.			trans	-87.3	121	175.3	171.1	0	0	0	0	108.1	P875 K876 M972	P875-V968 HydrophobicContact CB-CG1 3.49Å; P875-V968 VanDerWaalsContact CB-CG1 3.49Å; P875-V968 HydrophobicContact CG-CG1 3.76Å; K876-V968 HydrophobicContact CG-CG2 4.48Å; V968-M972 HydrophobicContact CG1-CB 4.34Å; V968-M972 HydrophobicContact CG1-CG 4.21Å
969	Y	85.8	Confident	86.5	Confident	40 Å²	40	46 Å²	46	16%	0.157	24%	0.244	C	C	.	.	S	Bend	trans	-128.3	133.3	176.8	-177.3	-85.1	0	0	0	111.8	H106 H128 D153 F872 P875	H106-Y969 AromaticContact CE1-CD1 3.89Å; H106-Y969 AromaticContact CE1-CE1 3.39Å; H106-Y969 WeakPolarHBondContact CE1-CE1 3.3Å; H106-Y969 AromaticContact CE1-CZ 3.55Å; H128-Y969 AromaticContact CD2-CD1 3.91Å; H128-Y969 AromaticContact CE1-CD1 3.68Å; H128-Y969 PolarHBondContact CE1-O 2.56Å; H128-Y969 AromaticContact ND1-CD1 3.87Å; H128-Y969 AromaticContact NE2-CD1 3.7Å; D153-Y969 PolarHBondContact OD2-OH 3.15Å; F872-Y969 HydrophobicContact CZ-CD1 4.24Å; F872-Y969 AromaticContact CZ-CE1 3.95Å; F872-Y969 HydrophobicContact CZ-CE1 3.95Å; P875-Y969 WeakPolarHBondContact CB-O 3.31Å; P875-Y969 WeakPolarHBondContact CG-O 3.42Å
970	P	87.8	Confident	85.9	Confident	11 Å²	11	46.7 Å²	46.7	7%	0.071	27%	0.266	C	S	.	.	S	Bend	cis	-63.2	154.8	-11.2	26.3	-33.4	0	0	0	111.1	M868 F872 M972 F1004	M868-P970 HydrophobicContact CE-CG 3.63Å; M868-P970 HydrophobicContact SD-CG 3.77Å; F872-P970 HydrophobicContact CE1-CG 4.5Å; P970-M972 HydrophobicContact CG-CE 4.12Å; P970-M972 PolarHBondContact O-N 2.96Å; P970-M972 VanDerWaalsContact O-N 3.13Å; P970-F1004 HydrophobicContact CG-CD2 4.12Å
971	L	86.7	Confident	85.6	Confident	122 Å²	122	47.4 Å²	47.4	64%	0.639	27%	0.266	S	S	*	.			trans	-61.7	119.2	-177.7	-177.1	68.3	0	0	0	110.3	V973	L971-V973 HydrophobicContact CD2-CG2 4.38Å; L971-V973 HydrophobicContact CG-CG2 4.44Å
972	M	88.2	Confident	85.5	Confident	21 Å²	21	48.9 Å²	48.9	10%	0.103	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	102.4	177.2	-67.4	-67.6	174.4	0	0	109.4	Y830 M868 F874 P875 V968 P970 Y1009 I1068	Y830-M972 HydrophobicContact CD2-CB 3.63Å; Y830-M972 HydrophobicContact CD2-CG 3.69Å; Y830-M972 HydrophobicContact CE1-CG 4.27Å; Y830-M972 HydrophobicContact CE2-CB 3.56Å; Y830-M972 HydrophobicContact CE2-CG 3.4Å; Y830-M972 HydrophobicContact CE2-SD 4.06Å; Y830-M972 HydrophobicContact CG-CB 4.48Å; Y830-M972 HydrophobicContact CG-CG 4.22Å; M868-M972 HydrophobicContact CE-CE 3.71Å; M868-M972 HydrophobicContact SD-CE 3.73Å; F874-M972 HydrophobicContact CD1-CE 3.76Å; F874-M972 HydrophobicContact CE1-CE 3.97Å; P875-M972 HydrophobicContact CG-CE 3.68Å; P875-M972 HydrophobicContact CG-CG 3.86Å; V968-M972 HydrophobicContact CG1-CB 4.34Å; V968-M972 HydrophobicContact CG1-CG 4.21Å; P970-M972 HydrophobicContact CG-CE 4.12Å; P970-M972 PolarHBondContact O-N 2.96Å; P970-M972 VanDerWaalsContact O-N 3.13Å; M972-Y1009 HydrophobicContact CE-CD2 4.43Å; M972-Y1009 HydrophobicContact SD-CD2 4.38Å; M972-I1068 HydrophobicContact CB-CG2 4.47Å
973	V	88.4	Confident	85.6	Confident	44 Å²	44	43.5 Å²	43.5	27%	0.267	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	129.8	177.2	-176.3	0	0	0	0	109	L971 I975 I1068 G1069	L971-V973 HydrophobicContact CD2-CG2 4.38Å; L971-V973 HydrophobicContact CG-CG2 4.44Å; V973-I975 HydrophobicContact CG1-CD1 4.24Å; V973-I975 HydrophobicContact CG1-CG1 3.88Å; V973-I1068 WeakPolarHBondContact O-CA 3.47Å; V973-G1069 PolarHBondContact N-O 2.98Å; V973-G1069 PolarHBondContact O-N 3.2Å; V973-G1069 VanDerWaalsContact O-N 3.08Å
974	Q	87.6	Confident	85.8	Confident	21 Å²	21	44.1 Å²	44.1	10%	0.098	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	117.5	174.3	-176.6	170.4	-25.8	0	0	109.6	M784 S786 V1066 F1067 I1068	M784-Q974 PolarHBondContact O-NE2 3.26Å; S786-Q974 PolarHBondContact O-NE2 3.28Å; Q974-V1066 HydrophobicContact CG-CG1 3.35Å; Q974-F1067 WeakPolarHBondContact CA-O 3.45Å; Q974-I1068 HydrophobicContact CG-CG1 4.26Å
975	I	88.6	Confident	86.1	Confident	22 Å²	22	41.3 Å²	41.3	11%	0.113	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	113.6	177.6	-58.2	-172.9	0	0	0	108.7	V973 V977 V1066 F1067 L1072 E1074 I1077	V973-I975 HydrophobicContact CG1-CD1 4.24Å; V973-I975 HydrophobicContact CG1-CG1 3.88Å; I975-V977 HydrophobicContact CG2-CG2 3.96Å; I975-V1066 WeakPolarHBondContact O-CA 3.07Å; I975-F1067 PolarHBondContact N-O 2.97Å; I975-F1067 PolarHBondContact O-N 2.9Å; I975-L1072 HydrophobicContact CD1-CB 3.71Å; I975-L1072 HydrophobicContact CG1-CB 4.4Å; I975-E1074 HydrophobicContact CD1-CB 4.38Å; I975-E1074 HydrophobicContact CG2-CB 4.18Å; I975-E1074 HydrophobicContact CG2-CG 3.92Å; I975-I1077 HydrophobicContact CB-CD1 3.84Å; I975-I1077 HydrophobicContact CD1-CD1 3.74Å; I975-I1077 HydrophobicContact CG1-CD1 4.21Å; I975-I1077 HydrophobicContact CG2-CD1 4.04Å
976	C	87.8	Confident	86.4	Confident	31 Å²	31	46 Å²	46	21%	0.209	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121.5	173.9	-173.9	0	0	0	0	110	W978 V1066	C976-W978 PolarHBondContact SG-NE1 3.27Å; C976-V1066 HydrophobicContact CB-CG2 4.25Å
977	V	88.6	Confident	86.7	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.018	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	120.4	179.5	-174.1	0	0	0	0	109.6	I975 Y1064 L1065 F1067 I1077 K1078 L1081 F1173	I975-V977 HydrophobicContact CG2-CG2 3.96Å; V977-Y1064 VanDerWaalsContact O-CA 3.28Å; V977-Y1064 WeakPolarHBondContact O-CA 3.49Å; V977-L1065 PolarHBondContact N-O 3.46Å; V977-L1065 PolarHBondContact O-N 3.45Å; V977-F1067 HydrophobicContact CG2-CD2 4.49Å; V977-I1077 HydrophobicContact CG2-CG2 3.93Å; V977-K1078 HydrophobicContact CG1-CG 4.22Å; V977-L1081 HydrophobicContact CB-CD1 4Å; V977-L1081 HydrophobicContact CG1-CD1 3.79Å; V977-L1081 HydrophobicContact CG2-CD1 4.46Å; V977-F1173 HydrophobicContact CG1-CD1 4.29Å; V977-F1173 HydrophobicContact CG1-CE1 3.41Å; V977-F1173 VanDerWaalsContact CG1-CE1 3.41Å; V977-F1173 HydrophobicContact CG1-CZ 4.01Å
978	W	86.7	Confident	87.1	Confident	115 Å²	115	47 Å²	47	44%	0.436	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	139	177.7	-62.8	86.5	0	0	0	111	D785 C976 E1062 Y1064	D785-W978 HydrophobicContact CB-CZ2 4.16Å; C976-W978 PolarHBondContact SG-NE1 3.27Å; W978-E1062 HydrophobicContact CE3-CB 3.8Å; W978-E1062 HydrophobicContact CZ3-CB 4.06Å; W978-Y1064 HydrophobicContact CE3-CD1 4.26Å; W978-Y1064 HydrophobicContact CE3-CG 4.29Å; W978-Y1064 AromaticContact CH2-CD1 3.83Å; W978-Y1064 HydrophobicContact CH2-CD1 3.83Å; W978-Y1064 HydrophobicContact CH2-CE1 4.4Å; W978-Y1064 HydrophobicContact CH2-CG 4.12Å; W978-Y1064 HydrophobicContact CZ2-CG 4.41Å; W978-Y1064 AromaticContact CZ3-CD1 3.66Å; W978-Y1064 HydrophobicContact CZ3-CD1 3.66Å; W978-Y1064 HydrophobicContact CZ3-CG 4.05Å
979	F	86.6	Confident	87.2	Confident	7 Å²	7	48 Å²	48	3%	0.031	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	151.4	178.4	57.1	-87.1	0	0	0	112.4	R981 L983 V1015 C1063 L1065 L1172 F1173	F979-R981 WeakPolarHBondContact CD2-O 3.38Å; F979-L983 HydrophobicContact CE2-CD1 4.23Å; F979-L983 HydrophobicContact CE2-CD2 4.28Å; F979-L983 HydrophobicContact CE2-CG 3.99Å; F979-L983 HydrophobicContact CZ-CD1 4.06Å; F979-L983 HydrophobicContact CZ-CG 4.33Å; F979-V1015 HydrophobicContact CE2-CG1 4.37Å; F979-V1015 HydrophobicContact CZ-CG1 4.28Å; F979-V1015 HydrophobicContact CZ-CG2 4.24Å; F979-C1063 HydrophobicContact CD2-CB 3.81Å; F979-C1063 HydrophobicContact CE1-CB 4.46Å; F979-C1063 HydrophobicContact CE2-CB 3.49Å; F979-C1063 VanDerWaalsContact CE2-CB 3.49Å; F979-C1063 HydrophobicContact CG-CB 4.42Å; F979-C1063 HydrophobicContact CZ-CB 3.86Å; F979-C1063 PolarHBondContact N-O 2.86Å; F979-C1063 WeakPolarHBondContact O-CA 3.47Å; F979-C1063 WeakPolarHBondContact O-CB 3.39Å; F979-C1063 PolarHBondContact O-N 2.81Å; F979-L1065 HydrophobicContact CE1-CB 4.16Å; F979-L1065 HydrophobicContact CE1-CD1 3.98Å; F979-L1065 HydrophobicContact CE1-CG 3.92Å; F979-L1065 HydrophobicContact CZ-CD1 3.96Å; F979-L1065 HydrophobicContact CZ-CG 4.08Å; F979-L1172 HydrophobicContact CB-CD1 4.21Å; F979-L1172 HydrophobicContact CB-CG 4.02Å; F979-L1172 HydrophobicContact CD2-CD1 3.92Å; F979-L1172 HydrophobicContact CD2-CG 4.46Å; F979-L1172 HydrophobicContact CG-CD1 4.31Å; F979-L1172 HydrophobicContact CG-CG 4.38Å; F979-F1173 HydrophobicContact CB-CD1 4.07Å; F979-F1173 HydrophobicContact CB-CE1 4.03Å
980	G	76.3	Confident	87.4	Confident	62 Å²	62	49 Å²	49	64%	0.639	27%	0.267	S	S	*	.			trans	-103.1	-12.6	-172.6	0	0	0	0	0	115.9
981	R	79.8	Confident	87.5	Confident	67 Å²	67	51.6 Å²	51.6	25%	0.253	28%	0.277	S	S	.	.	S	Bend	trans	-107.1	150.6	-173.3	-61.6	180	179.2	-117	-9	112.2	F979 H1170 D1171 L1172	F979-R981 WeakPolarHBondContact CD2-O 3.38Å; R981-H1170 PolarHBondContact NH2-CD2 3.29Å; R981-D1171 PolarHBondContact NE-O 3.45Å; R981-L1172 HydrophobicContact CB-CD1 3.99Å
982	P	85.1	Confident	87.7	Confident	62 Å²	62	45.8 Å²	45.8	40%	0.403	25%	0.247	S	C	.	.			trans	-72.9	148.2	-178.3	29.3	-34.7	0	0	0	113.2	K1016	P982-K1016 CarbonylContact C-O 3.57Å; P982-K1016 WeakPolarHBondContact CA-O 3.43Å; P982-K1016 HydrophobicContact CB-CB 4.3Å; P982-K1016 HydrophobicContact CB-CG 4.24Å; P982-K1016 VanDerWaalsContact CB-O 3.28Å; P982-K1016 WeakPolarHBondContact CB-O 3.46Å
983	L	88.9	Confident	87.7	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-90.8	160.1	175.7	-60.7	-175	0	0	0	112.1	F979 F988 V1015 K1016 F1017 S1018 L1065 L1081 A1085 L1172	F979-L983 HydrophobicContact CE2-CD1 4.23Å; F979-L983 HydrophobicContact CE2-CD2 4.28Å; F979-L983 HydrophobicContact CE2-CG 3.99Å; F979-L983 HydrophobicContact CZ-CD1 4.06Å; F979-L983 HydrophobicContact CZ-CG 4.33Å; L983-F988 HydrophobicContact CD1-CD2 3.96Å; L983-F988 HydrophobicContact CD1-CE2 4.37Å; L983-V1015 HydrophobicContact CB-CG1 4.1Å; L983-V1015 HydrophobicContact CD1-CG1 3.71Å; L983-V1015 HydrophobicContact CG-CG1 3.86Å; L983-K1016 PolarHBondContact N-O 3.4Å; L983-F1017 HydrophobicContact CB-CD1 4.24Å; L983-F1017 HydrophobicContact CB-CE1 4.38Å; L983-F1017 CarbonylContact O-C 3.54Å; L983-F1017 WeakPolarHBondContact O-CA 3.48Å; L983-S1018 PolarHBondContact O-N 2.98Å; L983-S1018 PolarHBondContact O-OG 3.43Å; L983-L1065 HydrophobicContact CD1-CD1 4.16Å; L983-L1081 HydrophobicContact CD1-CD2 4.18Å; L983-A1085 HydrophobicContact CD2-CB 4.11Å; L983-L1172 HydrophobicContact CD2-CD1 3.99Å; L983-L1172 HydrophobicContact CD2-CD2 4.01Å
984	E	89.3	Confident	87.8	Confident	44 Å²	44	51.2 Å²	51.2	21%	0.206	28%	0.276	C	S	.	.			trans	-86.6	114.3	171	-73.5	-172.6	-170	0	0	110.4	T986 R987 F988 S1084 K1086	E984-T986 PolarHBondContact O-N 3.28Å; E984-R987 HydrophobicContact CB-CB 4.14Å; E984-R987 HydrophobicContact CB-CG 4.08Å; E984-R987 PolarHBondContact O-N 3.2Å; E984-R987 WeakPolarHBondContact OE2-CD 3.3Å; E984-R987 IonicContact OE2-CZ 2.66Å; E984-R987 IonicContact OE2-NE 3.86Å; E984-R987 PolarHBondContact OE2-NE 3.11Å; E984-R987 IonicContact OE2-NH2 3.04Å; E984-F988 WeakPolarHBondContact O-CB 3.39Å; E984-F988 PolarHBondContact O-N 3.15Å; E984-S1084 PolarHBondContact N-O 3.46Å; E984-K1086 WeakPolarHBondContact OE1-CA 3.43Å; E984-K1086 WeakPolarHBondContact OE1-CB 3.27Å
985	K	89.3	Confident	87.9	Confident	68 Å²	68	50.6 Å²	50.6	30%	0.296	27%	0.273	S	S	.	.	H	α-helix	trans	-55.2	-46.7	-173.5	-170.5	179.7	-179.6	178.5	0	113.4	F988 M989 F1017 D1019	K985-F988 PolarHBondContact O-N 3.48Å; K985-M989 HydrophobicContact CG-CE 4.21Å; K985-M989 HydrophobicContact CG-SD 4.4Å; K985-M989 VanDerWaalsContact O-CG 3.26Å; K985-M989 WeakPolarHBondContact O-CG 3.43Å; K985-M989 PolarHBondContact O-N 3.37Å; K985-F1017 HydrophobicContact CB-CB 4.22Å; K985-F1017 HydrophobicContact CB-CD1 3.68Å; K985-F1017 HydrophobicContact CB-CE1 4.19Å; K985-F1017 HydrophobicContact CB-CG 3.96Å; K985-F1017 HydrophobicContact CG-CD1 4.13Å; K985-F1017 HydrophobicContact CG-CD2 4.5Å; K985-F1017 HydrophobicContact CG-CE1 4.28Å; K985-F1017 HydrophobicContact CG-CG 4.25Å; K985-D1019 VanDerWaalsContact CD-OD2 3.24Å; K985-D1019 WeakPolarHBondContact CD-OD2 3.21Å
986	T	89.4	Confident	87.8	Confident	102 Å²	102	53.3 Å²	53.3	63%	0.626	29%	0.285	S	S	*	.	H	α-helix	trans	-64.1	-41.4	-179.3	49.6	0	0	0	0	112.6	E984 M989 A990	E984-T986 PolarHBondContact O-N 3.28Å; T986-M989 HydrophobicContact CG2-CE 4.41Å; T986-A990 WeakPolarHBondContact O-CB 3.39Å; T986-A990 PolarHBondContact O-N 3.44Å; T986-A990 VanDerWaalsContact O-N 3.1Å
987	R	89.6	Confident	87.8	Confident	103 Å²	103	57.1 Å²	57.1	39%	0.389	31%	0.312	S	S	.	.	H	α-helix	trans	-67.4	-45.6	176.5	-66.5	-170.7	-174.6	-124.7	0.1	111.8	E984 M989 A990 K991	E984-R987 HydrophobicContact CB-CB 4.14Å; E984-R987 HydrophobicContact CB-CG 4.08Å; E984-R987 PolarHBondContact O-N 3.2Å; E984-R987 WeakPolarHBondContact OE2-CD 3.3Å; E984-R987 IonicContact OE2-CZ 2.66Å; E984-R987 IonicContact OE2-NE 3.86Å; E984-R987 PolarHBondContact OE2-NE 3.11Å; E984-R987 IonicContact OE2-NH2 3.04Å; R987-M989 PolarHBondContact O-N 2.86Å; R987-A990 PolarHBondContact O-N 3.27Å; R987-K991 WeakPolarHBondContact O-CB 3.29Å; R987-K991 WeakPolarHBondContact O-CG 3.47Å; R987-K991 PolarHBondContact O-N 2.78Å
988	F	91	Very high	87.7	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-58.2	-48.8	178.2	179.9	-98.6	0	0	0	111.1	L983 E984 K985 A990 K991 C992 F1017 V1026 L1035 L1065 W1080	L983-F988 HydrophobicContact CD1-CD2 3.96Å; L983-F988 HydrophobicContact CD1-CE2 4.37Å; E984-F988 WeakPolarHBondContact O-CB 3.39Å; E984-F988 PolarHBondContact O-N 3.15Å; K985-F988 PolarHBondContact O-N 3.48Å; F988-A990 PolarHBondContact O-N 3.11Å; F988-K991 PolarHBondContact O-N 3.48Å; F988-C992 PolarHBondContact O-N 2.83Å; F988-C992 PolarHBondContact O-SG 3.47Å; F988-C992 VanDerWaalsContact O-SG 3.38Å; F988-F1017 HydrophobicContact CB-CE1 4.17Å; F988-F1017 HydrophobicContact CD1-CE1 4.03Å; F988-F1017 HydrophobicContact CD1-CZ 4.06Å; F988-F1017 HydrophobicContact CE1-CZ 4.49Å; F988-F1017 HydrophobicContact CG-CE1 4.18Å; F988-V1026 HydrophobicContact CE1-CG1 3.64Å; F988-V1026 HydrophobicContact CZ-CG1 3.85Å; F988-L1035 HydrophobicContact CE1-CD1 4.34Å; F988-L1065 HydrophobicContact CE2-CD1 3.98Å; F988-L1065 HydrophobicContact CZ-CD1 4.46Å; F988-W1080 HydrophobicContact CD2-CH2 4.12Å; F988-W1080 HydrophobicContact CD2-CZ3 4.31Å; F988-W1080 AromaticContact CE2-CH2 3.87Å; F988-W1080 HydrophobicContact CE2-CH2 3.87Å; F988-W1080 HydrophobicContact CE2-CZ3 4.01Å
989	M	90.5	Very high	87.9	Confident	62 Å²	62	57 Å²	57	31%	0.305	33%	0.325	S	S	.	.	H	α-helix	trans	-59.5	-44	176.3	-69.7	-172.9	-58.1	0	0	112.7	K985 T986 R987 K991 C992 K993 L1035 I1037	K985-M989 HydrophobicContact CG-CE 4.21Å; K985-M989 HydrophobicContact CG-SD 4.4Å; K985-M989 VanDerWaalsContact O-CG 3.26Å; K985-M989 WeakPolarHBondContact O-CG 3.43Å; K985-M989 PolarHBondContact O-N 3.37Å; T986-M989 HydrophobicContact CG2-CE 4.41Å; R987-M989 PolarHBondContact O-N 2.86Å; M989-K991 VanDerWaalsContact C-N 3.32Å; M989-K991 PolarHBondContact O-N 3.04Å; M989-C992 PolarHBondContact O-N 3.21Å; M989-K993 WeakPolarHBondContact O-CG 3.31Å; M989-K993 PolarHBondContact O-N 3.42Å; M989-K993 VanDerWaalsContact O-N 3.15Å; M989-L1035 HydrophobicContact CB-CD2 4.28Å; M989-L1035 HydrophobicContact CG-CD2 3.67Å; M989-I1037 HydrophobicContact CG-CD1 4.47Å
990	A	90.1	Very high	88	Confident	61 Å²	61	62.9 Å²	62.9	50%	0.504	35%	0.351	S	S	.	.	H	α-helix	trans	-63.7	-39.7	178	0	0	0	0	0	111.7	T986 R987 F988 K993 A994	T986-A990 WeakPolarHBondContact O-CB 3.39Å; T986-A990 PolarHBondContact O-N 3.44Å; T986-A990 VanDerWaalsContact O-N 3.1Å; R987-A990 PolarHBondContact O-N 3.27Å; F988-A990 PolarHBondContact O-N 3.11Å; A990-K993 PolarHBondContact O-N 3.23Å; A990-A994 PolarHBondContact O-N 3.49Å; A990-A994 VanDerWaalsContact O-N 3.11Å
991	K	90.1	Very high	88.4	Confident	67 Å²	67	63.8 Å²	63.8	29%	0.291	35%	0.345	S	S	.	.	H	α-helix	trans	-67.7	-43	177.6	-76.5	-70.3	-174.2	176.4	0	112.3	R987 F988 M989 K993 A994 I995 W1080	R987-K991 WeakPolarHBondContact O-CB 3.29Å; R987-K991 WeakPolarHBondContact O-CG 3.47Å; R987-K991 PolarHBondContact O-N 2.78Å; F988-K991 PolarHBondContact O-N 3.48Å; M989-K991 VanDerWaalsContact C-N 3.32Å; M989-K991 PolarHBondContact O-N 3.04Å; K991-K993 PolarHBondContact O-N 3.07Å; K991-A994 PolarHBondContact O-N 3.47Å; K991-I995 WeakPolarHBondContact O-CG1 3.41Å; K991-I995 PolarHBondContact O-N 2.88Å; K991-W1080 HydrophobicContact CB-CH2 4.22Å; K991-W1080 HydrophobicContact CB-CZ2 3.55Å
992	C	90.3	Very high	88.5	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-55.4	-51.2	173.5	-71.8	0	0	0	0	111.1	F988 M989 A994 I995 Y1028	F988-C992 PolarHBondContact O-N 2.83Å; F988-C992 PolarHBondContact O-SG 3.47Å; F988-C992 VanDerWaalsContact O-SG 3.38Å; M989-C992 PolarHBondContact O-N 3.21Å; C992-A994 VanDerWaalsContact C-N 3.26Å; C992-A994 PolarHBondContact O-N 3.17Å; C992-I995 WeakPolarHBondContact O-CB 3.05Å; C992-I995 WeakPolarHBondContact O-CG1 3.4Å; C992-I995 PolarHBondContact O-N 2.91Å; C992-Y1028 VanDerWaalsContact C-OH 3.26Å; C992-Y1028 HydrophobicContact CB-CD1 3.87Å; C992-Y1028 HydrophobicContact CB-CD2 4.01Å; C992-Y1028 HydrophobicContact CB-CE1 3.74Å; C992-Y1028 HydrophobicContact CB-CE2 3.9Å; C992-Y1028 HydrophobicContact CB-CG 4Å; C992-Y1028 VanDerWaalsContact O-CE1 3.29Å; C992-Y1028 WeakPolarHBondContact O-CE1 3.28Å; C992-Y1028 VanDerWaalsContact O-CZ 3.24Å; C992-Y1028 PolarHBondContact O-OH 2.9Å
993	K	88.5	Confident	88.3	Confident	129 Å²	129	62.6 Å²	62.6	56%	0.561	35%	0.347	S	S	*	.	H	α-helix	trans	-59.6	-34.7	179.2	-71.3	-176.1	177.6	-171.5	0	113.3	M989 A990 K991 I995	M989-K993 WeakPolarHBondContact O-CG 3.31Å; M989-K993 PolarHBondContact O-N 3.42Å; M989-K993 VanDerWaalsContact O-N 3.15Å; A990-K993 PolarHBondContact O-N 3.23Å; K991-K993 PolarHBondContact O-N 3.07Å; K993-I995 PolarHBondContact O-N 3.27Å
994	A	90.3	Very high	88.3	Confident	50 Å²	50	62.8 Å²	62.8	41%	0.413	35%	0.348	S	S	.	.	H	α-helix	trans	-68.7	-20.3	178.4	0	0	0	0	0	113.7	A990 K991 C992 Q996 S997	A990-A994 PolarHBondContact O-N 3.49Å; A990-A994 VanDerWaalsContact O-N 3.11Å; K991-A994 PolarHBondContact O-N 3.47Å; C992-A994 VanDerWaalsContact C-N 3.26Å; C992-A994 PolarHBondContact O-N 3.17Å; A994-Q996 VanDerWaalsContact C-N 3.31Å; A994-Q996 PolarHBondContact O-N 2.56Å; A994-S997 PolarHBondContact O-OG 3.09Å
995	I	89.6	Confident	88.3	Confident	8 Å²	8	63.4 Å²	63.4	4%	0.041	36%	0.357	C	S	.	.	H	α-helix	trans	-64.7	-37.8	179.9	-56.8	176.7	0	0	0	110.6	K991 C992 K993 S997 S998 I999 I1008 I1011 Y1028 T1030 W1080	K991-I995 WeakPolarHBondContact O-CG1 3.41Å; K991-I995 PolarHBondContact O-N 2.88Å; C992-I995 WeakPolarHBondContact O-CB 3.05Å; C992-I995 WeakPolarHBondContact O-CG1 3.4Å; C992-I995 PolarHBondContact O-N 2.91Å; K993-I995 PolarHBondContact O-N 3.27Å; I995-S997 VanDerWaalsContact C-N 3.31Å; I995-S997 PolarHBondContact O-N 2.91Å; I995-S998 WeakPolarHBondContact CA-OG 3.46Å; I995-S998 WeakPolarHBondContact O-CA 3.3Å; I995-S998 PolarHBondContact O-N 3.46Å; I995-S998 PolarHBondContact O-OG 3.22Å; I995-I999 PolarHBondContact O-N 3.23Å; I995-I1008 HydrophobicContact CD1-CG2 4.45Å; I995-I1008 HydrophobicContact CG2-CB 4.13Å; I995-I1011 HydrophobicContact CD1-CD1 3.79Å; I995-Y1028 HydrophobicContact CD1-CE1 4.35Å; I995-T1030 HydrophobicContact CB-CG2 3.92Å; I995-T1030 HydrophobicContact CG2-CG2 3.58Å; I995-W1080 HydrophobicContact CD1-CZ2 3.8Å; I995-W1080 HydrophobicContact CG1-CZ2 4.38Å
996	Q	87.2	Confident	88.2	Confident	78 Å²	78	62.3 Å²	62.3	36%	0.364	37%	0.365	S	S	.	.	H	α-helix	trans	-57.4	-43.6	-176	-170.1	-178.2	27.8	0	0	112.1	A994 S998 T1030 L1031 N1033	A994-Q996 VanDerWaalsContact C-N 3.31Å; A994-Q996 PolarHBondContact O-N 2.56Å; Q996-S998 PolarHBondContact O-N 2.98Å; Q996-T1030 HydrophobicContact CB-CG2 4.24Å; Q996-L1031 PolarHBondContact NE2-O 3.07Å; Q996-N1033 PolarHBondContact OE1-ND2 3.34Å; Q996-N1033 VanDerWaalsContact OE1-ND2 3.11Å
997	S	87	Confident	88.4	Confident	111 Å²	111	57.7 Å²	57.7	78%	0.776	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-7.5	177.2	48.4	0	0	0	0	114.7	A994 I995	A994-S997 PolarHBondContact O-OG 3.09Å; I995-S997 VanDerWaalsContact C-N 3.31Å; I995-S997 PolarHBondContact O-N 2.91Å
998	S	87.3	Confident	88.6	Confident	71 Å²	71	53.7 Å²	53.7	50%	0.497	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	1	-177.1	69.4	0	0	0	0	113.9	I995 Q996 K1000	I995-S998 WeakPolarHBondContact CA-OG 3.46Å; I995-S998 WeakPolarHBondContact O-CA 3.3Å; I995-S998 PolarHBondContact O-N 3.46Å; I995-S998 PolarHBondContact O-OG 3.22Å; Q996-S998 PolarHBondContact O-N 2.98Å; S998-K1000 PolarHBondContact O-N 3.03Å
999	I	89.6	Confident	88.6	Confident	45 Å²	45	53.7 Å²	53.7	23%	0.231	32%	0.322	C	S	.	.			trans	-63.7	128.2	176.2	-68.4	-179.7	0	0	0	108.8	I995 Y1009 T1030 L1031	I995-I999 PolarHBondContact O-N 3.23Å; I999-Y1009 HydrophobicContact CD1-CE1 4.31Å; I999-T1030 HydrophobicContact CD1-CG2 3.7Å; I999-T1030 HydrophobicContact CG1-CG2 4.25Å; I999-L1031 HydrophobicContact CD1-CD2 3.49Å; I999-L1031 VanDerWaalsContact CD1-CD2 3.49Å; I999-L1031 HydrophobicContact CD1-CG 4.23Å
1000	K	89.1	Confident	88.5	Confident	131 Å²	131	50.9 Å²	50.9	57%	0.57	31%	0.309	S	S	*	.			trans	-96.7	148.6	175.8	-61.5	178.8	-175.8	175.9	0	110.7	S998 N1007	S998-K1000 PolarHBondContact O-N 3.03Å; K1000-N1007 PolarHBondContact N-OD1 3.39Å; K1000-N1007 PolarHBondContact O-ND2 2.97Å
1001	P	85.5	Confident	88.6	Confident	81 Å²	81	48 Å²	48	53%	0.526	29%	0.285	S	S	.	.	S	Bend	trans	-64	174.8	171.3	30.5	-37.5	0	0	0	111.5	E869 F1004	E869-P1001 WeakPolarHBondContact OE1-CB 3.3Å; P1001-F1004 PolarHBondContact O-N 3.12Å
1002	S	81.5	Confident	88.5	Confident	38 Å²	38	46.3 Å²	46.3	27%	0.266	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.1	128.4	175.2	-175.5	0	0	0	0	111.5	D153 E869 F1004	D153-S1002 PolarHBondContact OD1-OG 3.02Å; D153-S1002 PolarHBondContact OD2-OG 3.32Å; E869-S1002 PolarHBondContact OE2-N 3.09Å; S1002-F1004 VanDerWaalsContact CA-N 3.31Å
1003	P	80.3	Confident	88.3	Confident	65 Å²	65	46.7 Å²	46.7	42%	0.422	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	cis	-76.5	4.2	18.5	-4	11.4	0	0	0	118.4	S1005	P1003-S1005 PolarHBondContact O-N 2.89Å; P1003-S1005 VanDerWaalsContact O-N 3.12Å
1004	F	89.7	Confident	88.2	Confident	5 Å²	5	44.1 Å²	44.1	2%	0.022	27%	0.272	C	S	.	.			trans	62.9	16	-173.1	-44.5	-68.2	0	0	0	114.6	M868 E869 F872 P970 P1001 S1002 G1006 N1007 Y1009 C1070	M868-F1004 HydrophobicContact CB-CE1 4.46Å; M868-F1004 HydrophobicContact CE-CB 4.28Å; M868-F1004 HydrophobicContact CE-CD1 4.16Å; M868-F1004 HydrophobicContact CE-CD2 3.8Å; M868-F1004 HydrophobicContact CE-CE1 4.49Å; M868-F1004 HydrophobicContact CE-CE2 4.16Å; M868-F1004 HydrophobicContact CE-CG 3.8Å; M868-F1004 HydrophobicContact CE-CZ 4.49Å; E869-F1004 HydrophobicContact CB-CE1 3.85Å; E869-F1004 HydrophobicContact CB-CZ 4.19Å; E869-F1004 WeakPolarHBondContact OE2-CE1 3.46Å; E869-F1004 WeakPolarHBondContact OE2-CZ 3.34Å; F872-F1004 HydrophobicContact CD1-CE2 4.48Å; F872-F1004 HydrophobicContact CD1-CZ 4.43Å; F872-F1004 HydrophobicContact CE1-CE2 4.31Å; P970-F1004 HydrophobicContact CG-CD2 4.12Å; P1001-F1004 PolarHBondContact O-N 3.12Å; S1002-F1004 VanDerWaalsContact CA-N 3.31Å; F1004-G1006 PolarHBondContact O-N 3.49Å; F1004-N1007 WeakPolarHBondContact CA-ND2 3.34Å; F1004-N1007 WeakPolarHBondContact CB-ND2 3.39Å; F1004-N1007 VanDerWaalsContact O-CB 3.3Å; F1004-N1007 WeakPolarHBondContact O-CB 3.35Å; F1004-N1007 VanDerWaalsContact O-CG 3.28Å; F1004-N1007 PolarHBondContact O-N 2.89Å; F1004-N1007 VanDerWaalsContact O-N 3.1Å; F1004-N1007 PolarHBondContact O-ND2 3.39Å; F1004-Y1009 WeakPolarHBondContact CD1-OH 3.36Å; F1004-C1070 HydrophobicContact CB-CB 4.07Å; F1004-C1070 VanDerWaalsContact O-CB 3.3Å; F1004-C1070 WeakPolarHBondContact O-CB 3.36Å
1005	S	87.7	Confident	88.1	Confident	56 Å²	56	41.8 Å²	41.8	39%	0.392	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	118.8	-171.3	-170.7	0	0	0	0	112.5	P1003 S1071	P1003-S1005 PolarHBondContact O-N 2.89Å; P1003-S1005 VanDerWaalsContact O-N 3.12Å; S1005-S1071 WeakPolarHBondContact OG-CB 3.47Å
1006	G	88.5	Confident	88.1	Confident	45 Å²	45	44.9 Å²	44.9	46%	0.464	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.2	3.2	-178.4	0	0	0	0	0	114.7	F1004 C1070	F1004-G1006 PolarHBondContact O-N 3.49Å; G1006-C1070 WeakPolarHBondContact CA-O 3.38Å; G1006-C1070 PolarHBondContact N-O 2.95Å
1007	N	93.1	Very high	88.1	Confident	5 Å²	5	41.3 Å²	41.3	3%	0.027	25%	0.248	C	C	.	.			trans	-74.7	135.1	179.1	-69.1	-10.8	0	0	0	111.7	K1000 F1004 Y1009 G1069 C1070	K1000-N1007 PolarHBondContact N-OD1 3.39Å; K1000-N1007 PolarHBondContact O-ND2 2.97Å; F1004-N1007 WeakPolarHBondContact CA-ND2 3.34Å; F1004-N1007 WeakPolarHBondContact CB-ND2 3.39Å; F1004-N1007 VanDerWaalsContact O-CB 3.3Å; F1004-N1007 WeakPolarHBondContact O-CB 3.35Å; F1004-N1007 VanDerWaalsContact O-CG 3.28Å; F1004-N1007 PolarHBondContact O-N 2.89Å; F1004-N1007 VanDerWaalsContact O-N 3.1Å; F1004-N1007 PolarHBondContact O-ND2 3.39Å; N1007-Y1009 HydrophobicContact CB-CD2 4.47Å; N1007-Y1009 HydrophobicContact CB-CE2 3.75Å; N1007-Y1009 PolarHBondContact ND2-OH 3.23Å; N1007-G1069 CarbonylContact O-C 3.56Å; N1007-G1069 WeakPolarHBondContact O-CA 3.45Å; N1007-C1070 PolarHBondContact O-N 3.15Å
1008	I	92.9	Very high	88	Confident	19 Å²	19	39.9 Å²	39.9	10%	0.097	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.3	172.7	-59.8	169	0	0	0	108.4	I995 I1011 T1030 F1067 L1072	I995-I1008 HydrophobicContact CD1-CG2 4.45Å; I995-I1008 HydrophobicContact CG2-CB 4.13Å; I1008-I1011 HydrophobicContact CG2-CD1 4.28Å; I1008-I1011 HydrophobicContact CG2-CG1 3.87Å; I1008-T1030 WeakPolarHBondContact O-CB 3.26Å; I1008-T1030 PolarHBondContact O-OG1 3.42Å; I1008-F1067 HydrophobicContact CD1-CD1 4.29Å; I1008-F1067 HydrophobicContact CG2-CD1 4.18Å; I1008-L1072 HydrophobicContact CG1-CD1 4.47Å; I1008-L1072 HydrophobicContact CG1-CD2 3.68Å
1009	Y	91.4	Very high	87.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	-37	-177.7	-67.8	-70.7	0	0	0	113	M868 F874 M972 I999 F1004 N1007 T1030 L1031 I1068	M868-Y1009 HydrophobicContact CE-CE1 4.5Å; M868-Y1009 HydrophobicContact CE-CE2 3.57Å; M868-Y1009 VanDerWaalsContact CE-OH 3.29Å; M868-Y1009 WeakPolarHBondContact CE-OH 3.28Å; F874-Y1009 AromaticContact CE1-CD1 3.97Å; F874-Y1009 HydrophobicContact CE1-CD1 3.97Å; F874-Y1009 HydrophobicContact CE1-CD2 4.04Å; F874-Y1009 HydrophobicContact CE1-CE1 4.42Å; F874-Y1009 AromaticContact CE1-CG 3.76Å; F874-Y1009 HydrophobicContact CE1-CG 3.76Å; F874-Y1009 AromaticContact CZ-CD1 3.59Å; F874-Y1009 HydrophobicContact CZ-CD1 3.59Å; F874-Y1009 HydrophobicContact CZ-CD2 4.49Å; F874-Y1009 HydrophobicContact CZ-CE1 4.04Å; F874-Y1009 AromaticContact CZ-CG 3.85Å; F874-Y1009 HydrophobicContact CZ-CG 3.85Å; M972-Y1009 HydrophobicContact CE-CD2 4.43Å; M972-Y1009 HydrophobicContact SD-CD2 4.38Å; I999-Y1009 HydrophobicContact CD1-CE1 4.31Å; F1004-Y1009 WeakPolarHBondContact CD1-OH 3.36Å; N1007-Y1009 HydrophobicContact CB-CD2 4.47Å; N1007-Y1009 HydrophobicContact CB-CE2 3.75Å; N1007-Y1009 PolarHBondContact ND2-OH 3.23Å; Y1009-T1030 WeakPolarHBondContact O-CB 3.1Å; Y1009-T1030 PolarHBondContact O-N 2.92Å; Y1009-T1030 PolarHBondContact O-OG1 3.1Å; Y1009-L1031 HydrophobicContact CD1-CD1 3.98Å; Y1009-L1031 HydrophobicContact CD1-CG 4.14Å; Y1009-L1031 HydrophobicContact CE1-CD1 4.15Å; Y1009-L1031 HydrophobicContact CE1-CG 4.41Å; Y1009-I1068 PolarHBondContact N-O 3.23Å
1010	H	89.9	Confident	87.2	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.019	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	143.5	-179.5	-50.4	-81.7	0	0	0	112.3	P756 Y1028 I1068	P756-H1010 HydrophobicContact CB-CB 4.24Å; P756-H1010 PolarHBondContact O-CE1 3.35Å; P756-H1010 PolarHBondContact O-ND1 3.26Å; H1010-Y1028 WeakPolarHBondContact CA-O 3.4Å; H1010-I1068 HydrophobicContact CB-CB 4.18Å; H1010-I1068 HydrophobicContact CB-CD1 4.38Å; H1010-I1068 PolarHBondContact N-O 2.89Å; H1010-I1068 PolarHBondContact O-N 2.85Å
1011	I	90.8	Very high	86.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	122.4	171.5	-51.3	174.5	0	0	0	107.9	I995 I1008 C1027 Y1028 L1065 V1066 F1067 W1080	I995-I1011 HydrophobicContact CD1-CD1 3.79Å; I1008-I1011 HydrophobicContact CG2-CD1 4.28Å; I1008-I1011 HydrophobicContact CG2-CG1 3.87Å; I1011-C1027 CarbonylContact O-C 3.54Å; I1011-C1027 WeakPolarHBondContact O-CA 3.12Å; I1011-Y1028 HydrophobicContact CD1-CD1 4Å; I1011-Y1028 HydrophobicContact CG1-CD1 4.32Å; I1011-Y1028 PolarHBondContact N-O 3.31Å; I1011-Y1028 PolarHBondContact O-N 3.46Å; I1011-L1065 HydrophobicContact CG2-CD2 3.98Å; I1011-V1066 WeakPolarHBondContact CA-O 3.14Å; I1011-F1067 HydrophobicContact CD1-CD1 4.04Å; I1011-F1067 HydrophobicContact CD1-CE1 3.75Å; I1011-F1067 HydrophobicContact CG1-CD1 3.81Å; I1011-F1067 HydrophobicContact CG1-CE1 3.96Å; I1011-F1067 HydrophobicContact CG2-CD1 4.29Å; I1011-F1067 HydrophobicContact CG2-CE1 4.03Å; I1011-F1067 HydrophobicContact CG2-CZ 4.27Å; I1011-W1080 HydrophobicContact CD1-CH2 4.07Å; I1011-W1080 HydrophobicContact CD1-CZ2 4.48Å
1012	L	87.8	Confident	86.1	Confident	32 Å²	32	47.5 Å²	47.5	17%	0.168	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	145	-176.9	-60	167.6	0	0	0	109.3	V1026 C1027 L1065 V1066 I1068	L1012-V1026 CarbonylContact C-O 3.47Å; L1012-V1026 WeakPolarHBondContact CA-O 3.18Å; L1012-C1027 HydrophobicContact CD2-CB 3.86Å; L1012-C1027 WeakPolarHBondContact CD2-SG 3.39Å; L1012-L1065 CarbonylContact O-C 3.4Å; L1012-V1066 HydrophobicContact CB-CB 4.49Å; L1012-V1066 PolarHBondContact N-O 2.84Å; L1012-V1066 WeakPolarHBondContact O-CA 3.31Å; L1012-V1066 WeakPolarHBondContact O-CB 3.47Å; L1012-V1066 PolarHBondContact O-N 2.93Å; L1012-I1068 HydrophobicContact CD1-CD1 3.97Å
1013	G	86.3	Confident	86.2	Confident	8 Å²	8	47.2 Å²	47.2	8%	0.082	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154	-163.9	168.4	0	0	0	0	0	114.7	E1025 V1026 Y1064	G1013-E1025 WeakPolarHBondContact O-CA 3.44Å; G1013-V1026 PolarHBondContact N-O 2.98Å; G1013-V1026 PolarHBondContact O-N 3.5Å; G1013-Y1064 CarbonylContact C-O 3.57Å; G1013-Y1064 WeakPolarHBondContact CA-O 3.29Å
1014	K	87.4	Confident	86.4	Confident	75 Å²	75	45.6 Å²	45.6	33%	0.326	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122.5	-176.2	-65.3	-178.3	-173.9	171.7	0	110.1	M1024 V1040 C1063 Y1064	K1014-M1024 WeakPolarHBondContact CA-O 3.42Å; K1014-V1040 HydrophobicContact CD-CG2 4.34Å; K1014-V1040 HydrophobicContact CG-CG2 4.33Å; K1014-C1063 CarbonylContact O-C 3.5Å; K1014-C1063 VanDerWaalsContact O-CA 3.29Å; K1014-C1063 WeakPolarHBondContact O-CA 3.21Å; K1014-C1063 VanDerWaalsContact O-CB 3.31Å; K1014-C1063 WeakPolarHBondContact O-CB 3.38Å; K1014-Y1064 HydrophobicContact CB-CD1 4.36Å; K1014-Y1064 HydrophobicContact CB-CE1 4.07Å; K1014-Y1064 HydrophobicContact CD-CE1 3.93Å; K1014-Y1064 HydrophobicContact CG-CE1 4.01Å; K1014-Y1064 PolarHBondContact N-O 2.96Å; K1014-Y1064 PolarHBondContact O-N 3.47Å; K1014-Y1064 VanDerWaalsContact O-O 3.08Å
1015	V	88.6	Confident	86.2	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	142.5	-174.5	-172.6	0	0	0	0	109.7	F979 L983 F1017 M1024 V1026 L1065	F979-V1015 HydrophobicContact CE2-CG1 4.37Å; F979-V1015 HydrophobicContact CZ-CG1 4.28Å; F979-V1015 HydrophobicContact CZ-CG2 4.24Å; L983-V1015 HydrophobicContact CB-CG1 4.1Å; L983-V1015 HydrophobicContact CD1-CG1 3.71Å; L983-V1015 HydrophobicContact CG-CG1 3.86Å; V1015-F1017 HydrophobicContact CB-CZ 4.43Å; V1015-F1017 HydrophobicContact CG1-CD1 4.37Å; V1015-F1017 HydrophobicContact CG1-CE1 4.1Å; V1015-F1017 HydrophobicContact CG1-CZ 4.2Å; V1015-M1024 PolarHBondContact N-O 2.82Å; V1015-M1024 PolarHBondContact O-N 3.19Å; V1015-V1026 HydrophobicContact CB-CG2 4.07Å; V1015-V1026 HydrophobicContact CG2-CB 4.43Å; V1015-V1026 HydrophobicContact CG2-CG2 3.86Å; V1015-L1065 HydrophobicContact CG2-CD1 3.82Å; V1015-L1065 HydrophobicContact CG2-CD2 3.45Å; V1015-L1065 VanDerWaalsContact CG2-CD2 3.45Å; V1015-L1065 HydrophobicContact CG2-CG 3.65Å
1016	K	88	Confident	86.2	Confident	74 Å²	74	47.7 Å²	47.7	32%	0.322	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	129.8	164	-169.2	167.3	177.3	152	0	109	P982 L983 E1021 C1063	P982-K1016 CarbonylContact C-O 3.57Å; P982-K1016 WeakPolarHBondContact CA-O 3.43Å; P982-K1016 HydrophobicContact CB-CB 4.3Å; P982-K1016 HydrophobicContact CB-CG 4.24Å; P982-K1016 VanDerWaalsContact CB-O 3.28Å; P982-K1016 WeakPolarHBondContact CB-O 3.46Å; L983-K1016 PolarHBondContact N-O 3.4Å; K1016-E1021 VanDerWaalsContact CE-O 3.28Å; K1016-E1021 WeakPolarHBondContact CE-O 3.42Å; K1016-E1021 PolarHBondContact NZ-O 3.24Å; K1016-C1063 PolarHBondContact N-SG 3Å; K1016-C1063 VanDerWaalsContact N-SG 3.39Å
1017	F	88.3	Confident	86.1	Confident	3 Å²	3	47.4 Å²	47.4	1%	0.013	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-98.7	153	175.6	-66.9	-71.1	0	0	0	111	L983 K985 F988 V1015 D1019 S1020 M1024 V1026 I1037	L983-F1017 HydrophobicContact CB-CD1 4.24Å; L983-F1017 HydrophobicContact CB-CE1 4.38Å; L983-F1017 CarbonylContact O-C 3.54Å; L983-F1017 WeakPolarHBondContact O-CA 3.48Å; K985-F1017 HydrophobicContact CB-CB 4.22Å; K985-F1017 HydrophobicContact CB-CD1 3.68Å; K985-F1017 HydrophobicContact CB-CE1 4.19Å; K985-F1017 HydrophobicContact CB-CG 3.96Å; K985-F1017 HydrophobicContact CG-CD1 4.13Å; K985-F1017 HydrophobicContact CG-CD2 4.5Å; K985-F1017 HydrophobicContact CG-CE1 4.28Å; K985-F1017 HydrophobicContact CG-CG 4.25Å; F988-F1017 HydrophobicContact CB-CE1 4.17Å; F988-F1017 HydrophobicContact CD1-CE1 4.03Å; F988-F1017 HydrophobicContact CD1-CZ 4.06Å; F988-F1017 HydrophobicContact CE1-CZ 4.49Å; F988-F1017 HydrophobicContact CG-CE1 4.18Å; V1015-F1017 HydrophobicContact CB-CZ 4.43Å; V1015-F1017 HydrophobicContact CG1-CD1 4.37Å; V1015-F1017 HydrophobicContact CG1-CE1 4.1Å; V1015-F1017 HydrophobicContact CG1-CZ 4.2Å; F1017-D1019 WeakPolarHBondContact CB-OD1 3.35Å; F1017-D1019 PolarHBondContact O-N 3.33Å; F1017-S1020 PolarHBondContact O-N 3.47Å; F1017-S1020 VanDerWaalsContact O-N 3.14Å; F1017-M1024 HydrophobicContact CD2-CB 4.19Å; F1017-M1024 HydrophobicContact CD2-CG 3.99Å; F1017-M1024 HydrophobicContact CE2-CB 4.04Å; F1017-M1024 HydrophobicContact CE2-CG 4.29Å; F1017-V1026 HydrophobicContact CE2-CG2 4.1Å; F1017-V1026 HydrophobicContact CZ-CG2 4.02Å; F1017-I1037 HydrophobicContact CE2-CD1 4.26Å; F1017-I1037 HydrophobicContact CE2-CG2 3.85Å; F1017-I1037 HydrophobicContact CZ-CD1 4.2Å
1018	S	84.7	Confident	85.9	Confident	81 Å²	81	47.2 Å²	47.2	57%	0.566	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-19.3	179.7	51.8	0	0	0	0	114.1	L983	L983-S1018 PolarHBondContact O-N 2.98Å; L983-S1018 PolarHBondContact O-OG 3.43Å
1019	D	82.9	Confident	85.7	Confident	105 Å²	105	46.8 Å²	46.8	56%	0.561	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	0.8	178.2	64.9	-20.6	0	0	0	114	K985 F1017	K985-D1019 VanDerWaalsContact CD-OD2 3.24Å; K985-D1019 WeakPolarHBondContact CD-OD2 3.21Å; F1017-D1019 WeakPolarHBondContact CB-OD1 3.35Å; F1017-D1019 PolarHBondContact O-N 3.33Å
1020	S	77.1	Confident	85.5	Confident	27 Å²	27	46.8 Å²	46.8	19%	0.189	23%	0.233	C	C	.	.			trans	-142.8	133	-177.9	169.8	0	0	0	0	113	F1017 R1022 M1024	F1017-S1020 PolarHBondContact O-N 3.47Å; F1017-S1020 VanDerWaalsContact O-N 3.14Å; S1020-R1022 PolarHBondContact OG-N 3.46Å; S1020-R1022 PolarHBondContact OG-O 3.03Å; S1020-M1024 WeakPolarHBondContact OG-CE 3.36Å
1021	E	71.4	Confident	85.4	Confident	171 Å²	171	48.4 Å²	48.4	80%	0.799	24%	0.242	S	C	*	.	S	Bend	trans	-77.2	-23.3	173.5	-65.1	-156.4	158.4	0	0	113.8	K1016	K1016-E1021 VanDerWaalsContact CE-O 3.28Å; K1016-E1021 WeakPolarHBondContact CE-O 3.42Å; K1016-E1021 PolarHBondContact NZ-O 3.24Å
1022	R	80.3	Confident	84.9	Confident	184 Å²	184	50 Å²	50	69%	0.694	26%	0.255	S	S	*	.	S	Bend	trans	-79	143.4	179.3	-63.3	-174.7	-177.5	-176.5	0.3	111.1	S1020	S1020-R1022 PolarHBondContact OG-N 3.46Å; S1020-R1022 PolarHBondContact OG-O 3.03Å
1023	T	82.6	Confident	84.8	Confident	32 Å²	32	51.3 Å²	51.3	20%	0.196	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	131.2	167.5	46.2	0	0	0	0	109.4	V1040	T1023-V1040 WeakPolarHBondContact O-CG2 3.24Å; T1023-V1040 PolarHBondContact O-N 2.97Å; T1023-V1040 VanDerWaalsContact O-N 3.15Å
1024	M	84.9	Confident	84.6	Confident	32 Å²	32	53.7 Å²	53.7	16%	0.158	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	134.6	178.9	-62.4	-67.9	-167.5	0	0	108.6	K1014 V1015 F1017 S1020 I1037 M1038 P1039	K1014-M1024 WeakPolarHBondContact CA-O 3.42Å; V1015-M1024 PolarHBondContact N-O 2.82Å; V1015-M1024 PolarHBondContact O-N 3.19Å; F1017-M1024 HydrophobicContact CD2-CB 4.19Å; F1017-M1024 HydrophobicContact CD2-CG 3.99Å; F1017-M1024 HydrophobicContact CE2-CB 4.04Å; F1017-M1024 HydrophobicContact CE2-CG 4.29Å; S1020-M1024 WeakPolarHBondContact OG-CE 3.36Å; M1024-I1037 HydrophobicContact CB-CG2 3.88Å; M1024-I1037 HydrophobicContact CG-CG2 4.16Å; M1024-I1037 HydrophobicContact SD-CG2 4.43Å; M1024-M1038 CarbonylContact C-O 3.42Å; M1024-M1038 WeakPolarHBondContact CA-O 3.4Å; M1024-P1039 VanDerWaalsContact SD-CA 3.6Å; M1024-P1039 HydrophobicContact SD-CB 4.02Å
1025	E	85.6	Confident	84.6	Confident	104 Å²	104	52.6 Å²	52.6	49%	0.486	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	129.3	165.4	-169.2	164.1	-152	0	0	108.6	G1013 I1037 M1038 V1040	G1013-E1025 WeakPolarHBondContact O-CA 3.44Å; E1025-I1037 WeakPolarHBondContact O-CA 3.2Å; E1025-M1038 PolarHBondContact N-O 3.18Å; E1025-M1038 PolarHBondContact O-N 2.91Å; E1025-V1040 HydrophobicContact CB-CG2 4.12Å
1026	V	87.8	Confident	84.4	Confident	1 Å²	1	55 Å²	55	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.9	-177.5	-179.6	0	0	0	0	108.4	F988 L1012 G1013 V1015 F1017 L1035 S1036 I1037	F988-V1026 HydrophobicContact CE1-CG1 3.64Å; F988-V1026 HydrophobicContact CZ-CG1 3.85Å; L1012-V1026 CarbonylContact C-O 3.47Å; L1012-V1026 WeakPolarHBondContact CA-O 3.18Å; G1013-V1026 PolarHBondContact N-O 2.98Å; G1013-V1026 PolarHBondContact O-N 3.5Å; V1015-V1026 HydrophobicContact CB-CG2 4.07Å; V1015-V1026 HydrophobicContact CG2-CB 4.43Å; V1015-V1026 HydrophobicContact CG2-CG2 3.86Å; F1017-V1026 HydrophobicContact CE2-CG2 4.1Å; F1017-V1026 HydrophobicContact CZ-CG2 4.02Å; V1026-L1035 HydrophobicContact CG1-CD1 3.91Å; V1026-S1036 WeakPolarHBondContact CA-O 3.44Å; V1026-I1037 HydrophobicContact CG2-CG1 4.48Å
1027	C	86.6	Confident	84.2	Confident	38 Å²	38	53.3 Å²	53.3	26%	0.257	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	116.7	171.5	176.1	0	0	0	0	108.9	I1011 L1012 S1036	I1011-C1027 CarbonylContact O-C 3.54Å; I1011-C1027 WeakPolarHBondContact O-CA 3.12Å; L1012-C1027 HydrophobicContact CD2-CB 3.86Å; L1012-C1027 WeakPolarHBondContact CD2-SG 3.39Å; C1027-S1036 PolarHBondContact N-O 2.92Å; C1027-S1036 PolarHBondContact O-N 3.26Å
1028	Y	88.9	Confident	83.9	Confident	1 Å²	1	58.4 Å²	58.4	0%	0.004	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.8	176.3	-175	-120.1	0	0	0	110.5	C992 I995 H1010 I1011 T1030 N1033 S1034 L1035	C992-Y1028 VanDerWaalsContact C-OH 3.26Å; C992-Y1028 HydrophobicContact CB-CD1 3.87Å; C992-Y1028 HydrophobicContact CB-CD2 4.01Å; C992-Y1028 HydrophobicContact CB-CE1 3.74Å; C992-Y1028 HydrophobicContact CB-CE2 3.9Å; C992-Y1028 HydrophobicContact CB-CG 4Å; C992-Y1028 VanDerWaalsContact O-CE1 3.29Å; C992-Y1028 WeakPolarHBondContact O-CE1 3.28Å; C992-Y1028 VanDerWaalsContact O-CZ 3.24Å; C992-Y1028 PolarHBondContact O-OH 2.9Å; I995-Y1028 HydrophobicContact CD1-CE1 4.35Å; H1010-Y1028 WeakPolarHBondContact CA-O 3.4Å; I1011-Y1028 HydrophobicContact CD1-CD1 4Å; I1011-Y1028 HydrophobicContact CG1-CD1 4.32Å; I1011-Y1028 PolarHBondContact N-O 3.31Å; I1011-Y1028 PolarHBondContact O-N 3.46Å; Y1028-T1030 HydrophobicContact CE1-CG2 4.4Å; Y1028-T1030 WeakPolarHBondContact CE1-OG1 3.29Å; Y1028-N1033 PolarHBondContact OH-OD1 2.9Å; Y1028-S1034 WeakPolarHBondContact CA-O 3.48Å; Y1028-S1034 WeakPolarHBondContact CD2-O 3.21Å; Y1028-L1035 HydrophobicContact CD2-CB 3.74Å; Y1028-L1035 HydrophobicContact CD2-CD1 3.83Å; Y1028-L1035 HydrophobicContact CD2-CG 4.32Å; Y1028-L1035 HydrophobicContact CE2-CB 4.29Å; Y1028-L1035 HydrophobicContact CG-CD1 4.11Å
1029	N	87.9	Confident	83.5	Confident	10 Å²	10	57.4 Å²	57.4	5%	0.053	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115	170.4	-174.9	-43.6	0	0	0	108.8	S865 L1031 A1032 N1033 S1034	S865-N1029 PolarHBondContact OG-ND2 3.27Å; N1029-L1031 PolarHBondContact OD1-N 2.95Å; N1029-A1032 HydrophobicContact CB-CB 4.27Å; N1029-A1032 PolarHBondContact OD1-N 2.93Å; N1029-N1033 WeakPolarHBondContact O-CA 3.2Å; N1029-N1033 PolarHBondContact O-N 3.06Å; N1029-S1034 PolarHBondContact N-O 3.48Å; N1029-S1034 PolarHBondContact O-N 2.9Å; N1029-S1034 VanDerWaalsContact O-N 3.14Å
1030	T	88.8	Confident	83	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-42.5	-172.3	-56.4	0	0	0	0	112.6	I995 Q996 I999 I1008 Y1009 Y1028 N1033	I995-T1030 HydrophobicContact CB-CG2 3.92Å; I995-T1030 HydrophobicContact CG2-CG2 3.58Å; Q996-T1030 HydrophobicContact CB-CG2 4.24Å; I999-T1030 HydrophobicContact CD1-CG2 3.7Å; I999-T1030 HydrophobicContact CG1-CG2 4.25Å; I1008-T1030 WeakPolarHBondContact O-CB 3.26Å; I1008-T1030 PolarHBondContact O-OG1 3.42Å; Y1009-T1030 WeakPolarHBondContact O-CB 3.1Å; Y1009-T1030 PolarHBondContact O-N 2.92Å; Y1009-T1030 PolarHBondContact O-OG1 3.1Å; Y1028-T1030 HydrophobicContact CE1-CG2 4.4Å; Y1028-T1030 WeakPolarHBondContact CE1-OG1 3.29Å; T1030-N1033 PolarHBondContact O-N 3.48Å
1031	L	85.9	Confident	82.1	Confident	38 Å²	38	60.6 Å²	60.6	20%	0.199	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-41.6	-174.6	-70.5	171.9	0	0	0	112.2	Y867 F874 Q996 I999 Y1009 N1029 N1033	Y867-L1031 VanDerWaalsContact O-CD1 3.28Å; Y867-L1031 WeakPolarHBondContact O-CD1 3.26Å; F874-L1031 HydrophobicContact CE2-CD1 3.4Å; F874-L1031 HydrophobicContact CZ-CD1 3.47Å; F874-L1031 VanDerWaalsContact CZ-CD1 3.47Å; Q996-L1031 PolarHBondContact NE2-O 3.07Å; I999-L1031 HydrophobicContact CD1-CD2 3.49Å; I999-L1031 VanDerWaalsContact CD1-CD2 3.49Å; I999-L1031 HydrophobicContact CD1-CG 4.23Å; Y1009-L1031 HydrophobicContact CD1-CD1 3.98Å; Y1009-L1031 HydrophobicContact CD1-CG 4.14Å; Y1009-L1031 HydrophobicContact CE1-CD1 4.15Å; Y1009-L1031 HydrophobicContact CE1-CG 4.41Å; N1029-L1031 PolarHBondContact OD1-N 2.95Å; L1031-N1033 PolarHBondContact O-N 3.26Å
1032	A	81.1	Confident	80.9	Confident	33 Å²	33	61 Å²	61	27%	0.273	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-9.9	172.8	0	0	0	0	0	112.9	M864 N1029 S1034	M864-A1032 HydrophobicContact CB-CB 4.13Å; N1029-A1032 HydrophobicContact CB-CB 4.27Å; N1029-A1032 PolarHBondContact OD1-N 2.93Å; A1032-S1034 PolarHBondContact O-N 3.47Å; A1032-S1034 VanDerWaalsContact O-N 3.15Å
1033	N	84.8	Confident	78.9	Confident	61 Å²	61	54.6 Å²	54.6	33%	0.326	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	38.1	-170.6	-162.5	7.2	0	0	0	112.6	Q996 Y1028 N1029 T1030 L1031	Q996-N1033 PolarHBondContact OE1-ND2 3.34Å; Q996-N1033 VanDerWaalsContact OE1-ND2 3.11Å; Y1028-N1033 PolarHBondContact OH-OD1 2.9Å; N1029-N1033 WeakPolarHBondContact O-CA 3.2Å; N1029-N1033 PolarHBondContact O-N 3.06Å; T1030-N1033 PolarHBondContact O-N 3.48Å; L1031-N1033 PolarHBondContact O-N 3.26Å
1034	S	83.7	Confident	76.6	Confident	58 Å²	58	59.6 Å²	59.6	41%	0.406	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	119.6	-174.7	-176.1	0	0	0	0	109.5	Y1028 N1029 A1032	Y1028-S1034 WeakPolarHBondContact CA-O 3.48Å; Y1028-S1034 WeakPolarHBondContact CD2-O 3.21Å; N1029-S1034 PolarHBondContact N-O 3.48Å; N1029-S1034 PolarHBondContact O-N 2.9Å; N1029-S1034 VanDerWaalsContact O-N 3.14Å; A1032-S1034 PolarHBondContact O-N 3.47Å; A1032-S1034 VanDerWaalsContact O-N 3.15Å
1035	L	86.1	Confident	74	Confident	51 Å²	51	64.1 Å²	64.1	27%	0.267	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	113.9	178.1	-178.6	63.7	0	0	0	109.7	F988 M989 V1026 Y1028 I1037	F988-L1035 HydrophobicContact CE1-CD1 4.34Å; M989-L1035 HydrophobicContact CB-CD2 4.28Å; M989-L1035 HydrophobicContact CG-CD2 3.67Å; V1026-L1035 HydrophobicContact CG1-CD1 3.91Å; Y1028-L1035 HydrophobicContact CD2-CB 3.74Å; Y1028-L1035 HydrophobicContact CD2-CD1 3.83Å; Y1028-L1035 HydrophobicContact CD2-CG 4.32Å; Y1028-L1035 HydrophobicContact CE2-CB 4.29Å; Y1028-L1035 HydrophobicContact CG-CD1 4.11Å; L1035-I1037 HydrophobicContact CD1-CG1 4.36Å; L1035-I1037 HydrophobicContact CD2-CD1 4.04Å; L1035-I1037 HydrophobicContact CD2-CG1 4.42Å; L1035-I1037 HydrophobicContact CG-CD1 4.27Å; L1035-I1037 HydrophobicContact CG-CG1 4.09Å
1036	S	84.3	Confident	71.5	Confident	50 Å²	50	64.3 Å²	64.3	35%	0.35	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	129.5	171.6	-176.2	0	0	0	0	110	V1026 C1027	V1026-S1036 WeakPolarHBondContact CA-O 3.44Å; C1027-S1036 PolarHBondContact N-O 2.92Å; C1027-S1036 PolarHBondContact O-N 3.26Å
1037	I	84.8	Confident	68.8	Low	40 Å²	40	69.1 Å²	69.1	21%	0.205	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	108.2	175.1	-57	177	0	0	0	107.5	M989 F1017 M1024 E1025 V1026 L1035	M989-I1037 HydrophobicContact CG-CD1 4.47Å; F1017-I1037 HydrophobicContact CE2-CD1 4.26Å; F1017-I1037 HydrophobicContact CE2-CG2 3.85Å; F1017-I1037 HydrophobicContact CZ-CD1 4.2Å; M1024-I1037 HydrophobicContact CB-CG2 3.88Å; M1024-I1037 HydrophobicContact CG-CG2 4.16Å; M1024-I1037 HydrophobicContact SD-CG2 4.43Å; E1025-I1037 WeakPolarHBondContact O-CA 3.2Å; V1026-I1037 HydrophobicContact CG2-CG1 4.48Å; L1035-I1037 HydrophobicContact CD1-CG1 4.36Å; L1035-I1037 HydrophobicContact CD2-CD1 4.04Å; L1035-I1037 HydrophobicContact CD2-CG1 4.42Å; L1035-I1037 HydrophobicContact CG-CD1 4.27Å; L1035-I1037 HydrophobicContact CG-CG1 4.09Å
1038	M	81.2	Confident	66.3	Low	109 Å²	109	73.1 Å²	73.1	54%	0.537	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.9	-175.3	-67.3	-66.8	-72.1	0	0	110.4	M1024 E1025 V1040	M1024-M1038 CarbonylContact C-O 3.42Å; M1024-M1038 WeakPolarHBondContact CA-O 3.4Å; E1025-M1038 PolarHBondContact N-O 3.18Å; E1025-M1038 PolarHBondContact O-N 2.91Å; M1038-V1040 PolarHBondContact O-N 3.05Å
1039	P	77.8	Confident	63.6	Low	60 Å²	60	80 Å²	80	39%	0.39	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	134.1	171.8	26.5	-31.4	0	0	0	109.8	M1024 L1041	M1024-P1039 VanDerWaalsContact SD-CA 3.6Å; M1024-P1039 HydrophobicContact SD-CB 4.02Å; P1039-L1041 PolarHBondContact O-N 2.93Å
1040	V	71.5	Confident	61.1	Low	39 Å²	39	85.2 Å²	85.2	24%	0.236	52%	0.515	C	S	.	.			trans	-60.2	122.3	179.3	177.3	0	0	0	0	109.4	K1014 T1023 E1025 M1038 E1042	K1014-V1040 HydrophobicContact CD-CG2 4.34Å; K1014-V1040 HydrophobicContact CG-CG2 4.33Å; T1023-V1040 WeakPolarHBondContact O-CG2 3.24Å; T1023-V1040 PolarHBondContact O-N 2.97Å; T1023-V1040 VanDerWaalsContact O-N 3.15Å; E1025-V1040 HydrophobicContact CB-CG2 4.12Å; M1038-V1040 PolarHBondContact O-N 3.05Å; V1040-E1042 PolarHBondContact O-N 3.45Å
1041	L	57.8	Low	58.7	Low	161 Å²	161	94.6 Å²	94.6	84%	0.843	56%	0.556	S	S	*	*			trans	-80.2	111.1	173.4	-78.5	156.6	0	0	0	109.1	P1039 G1043	P1039-L1041 PolarHBondContact O-N 2.93Å; L1041-G1043 PolarHBondContact O-N 2.71Å
1042	E	46.1	Very low	56.1	Low	179 Å²	179	97.1 Å²	97.1	84%	0.836	58%	0.577	S	S	*	*			trans	-66.8	100.1	169.9	-75.2	-179.1	168.4	0	0	109.5	V1040	V1040-E1042 PolarHBondContact O-N 3.45Å
1043	G	39.7	Very low	54	Low	50 Å²	50	104 Å²	104	52%	0.515	61%	0.607	S	S	.	*			trans	-69.5	161.2	168.1	0	0	0	0	0	111.5	L1041 T1045	L1041-G1043 PolarHBondContact O-N 2.71Å; G1043-T1045 PolarHBondContact O-N 3.37Å
1044	P	33.1	Very low	51.4	Low	137 Å²	137	105.8 Å²	105.8	89%	0.89	62%	0.624	S	S	*	*			trans	-62.8	112.3	175.2	25.2	-30.6	0	0	0	109.3
1045	T	31	Very low	48.9	Very low	127 Å²	127	111.6 Å²	111.6	78%	0.779	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-59.1	144.3	173.6	27.7	0	0	0	0	110.5	G1043	G1043-T1045 PolarHBondContact O-N 3.37Å
1046	P	33	Very low	46.3	Very low	108 Å²	108	117.1 Å²	117.1	70%	0.701	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-57.8	147	168.2	24.9	-30.9	0	0	0	109.2
1047	P	31.1	Very low	43.7	Very low	101 Å²	101	119.8 Å²	119.8	66%	0.656	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-60.2	139.4	177.2	23	-26.9	0	0	0	109	D1049	P1047-D1049 PolarHBondContact O-N 3.2Å
1048	P	34.1	Very low	41.4	Very low	123 Å²	123	123.9 Å²	123.9	80%	0.799	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-60.6	133	-177.2	22.5	-31.1	0	0	0	110.5	S1050	P1048-S1050 PolarHBondContact O-N 2.92Å; P1048-S1050 VanDerWaalsContact O-N 3.15Å
1049	D	32.8	Very low	39.3	Very low	146 Å²	146	121.4 Å²	121.4	78%	0.781	73%	0.728	S	S	*	*			trans	-62.6	114.3	172	-92.6	-33.2	0	0	0	109.6	P1047 K1051	P1047-D1049 PolarHBondContact O-N 3.2Å; D1049-K1051 PolarHBondContact O-N 2.89Å
1050	S	35.5	Very low	37.7	Very low	118 Å²	118	124.3 Å²	124.3	83%	0.825	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	18	177.3	58.2	0	0	0	0	115	P1048	P1048-S1050 PolarHBondContact O-N 2.92Å; P1048-S1050 VanDerWaalsContact O-N 3.15Å
1051	K	37.5	Very low	36.6	Very low	197 Å²	197	129.2 Å²	129.2	86%	0.857	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.3	21.2	-172.9	-75.5	-166.7	176.6	-177.8	0	116.7	D1049	D1049-K1051 PolarHBondContact O-N 2.89Å
1052	S	31	Very low	37	Very low	92 Å²	92	126.2 Å²	126.2	64%	0.643	74%	0.738	S	S	*	*			trans	-127.5	82.8	163.8	62.2	0	0	0	0	111.1	S1054	S1052-S1054 PolarHBondContact O-N 3.04Å
1053	I	38.2	Very low	38.8	Very low	177 Å²	177	118 Å²	118	91%	0.908	70%	0.7	S	S	*	*			trans	-84.2	95.6	160.3	-61.5	173.3	0	0	0	106.3
1054	S	30	Very low	41.1	Very low	98 Å²	98	117.6 Å²	117.6	69%	0.685	68%	0.684	S	S	*	*			trans	-153.9	100.4	158.7	56.5	0	0	0	0	110.2	S1052	S1052-S1054 PolarHBondContact O-N 3.04Å
1055	Q	30.6	Very low	43.8	Very low	180 Å²	180	111.1 Å²	111.1	84%	0.841	64%	0.641	S	S	*	*			trans	61.8	110.9	148.9	-68	177.8	-28.6	0	0	119.6	S1057	Q1055-S1057 PolarHBondContact O-N 2.93Å
1056	D	31.1	Very low	46.5	Very low	167 Å²	167	105 Å²	105	89%	0.893	60%	0.604	S	S	*	*			trans	30.4	84.5	144.6	-65.6	-23.2	0	0	0	117.2
1057	S	30.1	Very low	49.3	Very low	106 Å²	106	99.9 Å²	99.9	74%	0.741	57%	0.571	S	S	*	*			trans	-135.1	80.4	148.7	57.6	0	0	0	0	109.9	Q1055 G1059	Q1055-S1057 PolarHBondContact O-N 2.93Å; S1057-G1059 PolarHBondContact O-N 3.02Å
1058	S	36.4	Very low	52.1	Low	127 Å²	127	95.5 Å²	95.5	89%	0.888	54%	0.542	S	S	*	.			trans	-65.4	55.9	138.7	58.1	0	0	0	0	109	Q1060	S1058-Q1060 PolarHBondContact O-N 3.15Å
1059	G	36.8	Very low	54.9	Low	56 Å²	56	89.7 Å²	89.7	58%	0.577	50%	0.504	S	S	*	.			trans	-73.7	110	-168	0	0	0	0	0	109.7	S1057	S1057-G1059 PolarHBondContact O-N 3.02Å
1060	Q	43.8	Very low	57.7	Low	122 Å²	122	82.9 Å²	82.9	57%	0.57	47%	0.468	S	S	*	.			trans	-11.5	124.3	160.5	-65.6	169.8	-14.9	0	0	113.5	S1058 E1062	S1058-Q1060 PolarHBondContact O-N 3.15Å; Q1060-E1062 HydrophobicContact CB-CG 4.31Å; Q1060-E1062 PolarHBondContact O-N 3.18Å
1061	Q	49.1	Very low	60.2	Low	141 Å²	141	80.6 Å²	80.6	66%	0.659	45%	0.452	S	S	*	.			trans	-64	87.6	166.5	-76	-179.5	-13.2	0	0	108.6	C1063	Q1061-C1063 PolarHBondContact O-N 2.97Å
1062	E	66.1	Low	62.7	Low	99 Å²	99	72.2 Å²	72.2	46%	0.463	42%	0.416	S	S	.	.			trans	-70.2	127.5	179.8	-67.6	179.1	172	0	0	109.5	W978 Q1060	W978-E1062 HydrophobicContact CE3-CB 3.8Å; W978-E1062 HydrophobicContact CZ3-CB 4.06Å; Q1060-E1062 HydrophobicContact CB-CG 4.31Å; Q1060-E1062 PolarHBondContact O-N 3.18Å
1063	C	83.8	Confident	65.6	Low	5 Å²	5	75 Å²	75	3%	0.034	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	144.7	171.8	-63.1	0	0	0	0	108.3	F979 K1014 K1016 Q1061	F979-C1063 HydrophobicContact CD2-CB 3.81Å; F979-C1063 HydrophobicContact CE1-CB 4.46Å; F979-C1063 HydrophobicContact CE2-CB 3.49Å; F979-C1063 VanDerWaalsContact CE2-CB 3.49Å; F979-C1063 HydrophobicContact CG-CB 4.42Å; F979-C1063 HydrophobicContact CZ-CB 3.86Å; F979-C1063 PolarHBondContact N-O 2.86Å; F979-C1063 WeakPolarHBondContact O-CA 3.47Å; F979-C1063 WeakPolarHBondContact O-CB 3.39Å; F979-C1063 PolarHBondContact O-N 2.81Å; K1014-C1063 CarbonylContact O-C 3.5Å; K1014-C1063 VanDerWaalsContact O-CA 3.29Å; K1014-C1063 WeakPolarHBondContact O-CA 3.21Å; K1014-C1063 VanDerWaalsContact O-CB 3.31Å; K1014-C1063 WeakPolarHBondContact O-CB 3.38Å; K1016-C1063 PolarHBondContact N-SG 3Å; K1016-C1063 VanDerWaalsContact N-SG 3.39Å; Q1061-C1063 PolarHBondContact O-N 2.97Å
1064	Y	87.9	Confident	67.9	Low	43 Å²	43	71 Å²	71	17%	0.169	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	148.9	175.2	70.4	-88.4	0	0	0	110.8	V977 W978 G1013 K1014 V1066	V977-Y1064 VanDerWaalsContact O-CA 3.28Å; V977-Y1064 WeakPolarHBondContact O-CA 3.49Å; W978-Y1064 HydrophobicContact CE3-CD1 4.26Å; W978-Y1064 HydrophobicContact CE3-CG 4.29Å; W978-Y1064 AromaticContact CH2-CD1 3.83Å; W978-Y1064 HydrophobicContact CH2-CD1 3.83Å; W978-Y1064 HydrophobicContact CH2-CE1 4.4Å; W978-Y1064 HydrophobicContact CH2-CG 4.12Å; W978-Y1064 HydrophobicContact CZ2-CG 4.41Å; W978-Y1064 AromaticContact CZ3-CD1 3.66Å; W978-Y1064 HydrophobicContact CZ3-CD1 3.66Å; W978-Y1064 HydrophobicContact CZ3-CG 4.05Å; G1013-Y1064 CarbonylContact C-O 3.57Å; G1013-Y1064 WeakPolarHBondContact CA-O 3.29Å; K1014-Y1064 HydrophobicContact CB-CD1 4.36Å; K1014-Y1064 HydrophobicContact CB-CE1 4.07Å; K1014-Y1064 HydrophobicContact CD-CE1 3.93Å; K1014-Y1064 HydrophobicContact CG-CE1 4.01Å; K1014-Y1064 PolarHBondContact N-O 2.96Å; K1014-Y1064 PolarHBondContact O-N 3.47Å; K1014-Y1064 VanDerWaalsContact O-O 3.08Å; Y1064-V1066 HydrophobicContact CD2-CG2 3.94Å; Y1064-V1066 HydrophobicContact CE2-CG2 4.02Å
1065	L	89.9	Confident	70.7	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	134.1	171.4	-76.6	172.1	0	0	0	109.6	V977 F979 L983 F988 I1011 L1012 V1015 F1067 L1081	V977-L1065 PolarHBondContact N-O 3.46Å; V977-L1065 PolarHBondContact O-N 3.45Å; F979-L1065 HydrophobicContact CE1-CB 4.16Å; F979-L1065 HydrophobicContact CE1-CD1 3.98Å; F979-L1065 HydrophobicContact CE1-CG 3.92Å; F979-L1065 HydrophobicContact CZ-CD1 3.96Å; F979-L1065 HydrophobicContact CZ-CG 4.08Å; L983-L1065 HydrophobicContact CD1-CD1 4.16Å; F988-L1065 HydrophobicContact CE2-CD1 3.98Å; F988-L1065 HydrophobicContact CZ-CD1 4.46Å; I1011-L1065 HydrophobicContact CG2-CD2 3.98Å; L1012-L1065 CarbonylContact O-C 3.4Å; V1015-L1065 HydrophobicContact CG2-CD1 3.82Å; V1015-L1065 HydrophobicContact CG2-CD2 3.45Å; V1015-L1065 VanDerWaalsContact CG2-CD2 3.45Å; V1015-L1065 HydrophobicContact CG2-CG 3.65Å; L1065-F1067 HydrophobicContact CB-CD2 4.36Å; L1065-F1067 HydrophobicContact CB-CE2 3.61Å; L1065-F1067 HydrophobicContact CB-CZ 4.15Å; L1065-F1067 HydrophobicContact CD1-CZ 4.38Å; L1065-L1081 HydrophobicContact CD1-CD2 3.59Å
1066	V	88.8	Confident	73.5	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120.8	177.3	-176.8	0	0	0	0	107.5	M784 Q974 I975 C976 I1011 L1012 Y1064 I1068	M784-V1066 WeakPolarHBondContact O-CG2 3.17Å; Q974-V1066 HydrophobicContact CG-CG1 3.35Å; I975-V1066 WeakPolarHBondContact O-CA 3.07Å; C976-V1066 HydrophobicContact CB-CG2 4.25Å; I1011-V1066 WeakPolarHBondContact CA-O 3.14Å; L1012-V1066 HydrophobicContact CB-CB 4.49Å; L1012-V1066 PolarHBondContact N-O 2.84Å; L1012-V1066 WeakPolarHBondContact O-CA 3.31Å; L1012-V1066 WeakPolarHBondContact O-CB 3.47Å; L1012-V1066 PolarHBondContact O-N 2.93Å; Y1064-V1066 HydrophobicContact CD2-CG2 3.94Å; Y1064-V1066 HydrophobicContact CE2-CG2 4.02Å; V1066-I1068 HydrophobicContact CG1-CG1 4.16Å
1067	F	91.1	Very high	76.3	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129	176.9	-64.6	-99.6	0	0	0	108.8	Q974 I975 V977 I1008 I1011 L1065 L1072 I1077 W1080 L1081	Q974-F1067 WeakPolarHBondContact CA-O 3.45Å; I975-F1067 PolarHBondContact N-O 2.97Å; I975-F1067 PolarHBondContact O-N 2.9Å; V977-F1067 HydrophobicContact CG2-CD2 4.49Å; I1008-F1067 HydrophobicContact CD1-CD1 4.29Å; I1008-F1067 HydrophobicContact CG2-CD1 4.18Å; I1011-F1067 HydrophobicContact CD1-CD1 4.04Å; I1011-F1067 HydrophobicContact CD1-CE1 3.75Å; I1011-F1067 HydrophobicContact CG1-CD1 3.81Å; I1011-F1067 HydrophobicContact CG1-CE1 3.96Å; I1011-F1067 HydrophobicContact CG2-CD1 4.29Å; I1011-F1067 HydrophobicContact CG2-CE1 4.03Å; I1011-F1067 HydrophobicContact CG2-CZ 4.27Å; L1065-F1067 HydrophobicContact CB-CD2 4.36Å; L1065-F1067 HydrophobicContact CB-CE2 3.61Å; L1065-F1067 HydrophobicContact CB-CZ 4.15Å; L1065-F1067 HydrophobicContact CD1-CZ 4.38Å; F1067-L1072 HydrophobicContact CB-CD1 4.28Å; F1067-I1077 HydrophobicContact CB-CD1 3.83Å; F1067-I1077 HydrophobicContact CD1-CG2 4.05Å; F1067-I1077 HydrophobicContact CD2-CD1 4.47Å; F1067-I1077 HydrophobicContact CD2-CG2 3.37Å; F1067-I1077 HydrophobicContact CE1-CG2 4.04Å; F1067-I1077 HydrophobicContact CE2-CG2 3.37Å; F1067-I1077 HydrophobicContact CG-CD1 4.12Å; F1067-I1077 HydrophobicContact CG-CG2 3.73Å; F1067-I1077 HydrophobicContact CZ-CG2 3.72Å; F1067-W1080 AromaticContact CE1-CE3 3.91Å; F1067-W1080 HydrophobicContact CE1-CE3 3.91Å; F1067-W1080 HydrophobicContact CE1-CH2 4.48Å; F1067-W1080 AromaticContact CE1-CZ3 3.81Å; F1067-W1080 HydrophobicContact CE1-CZ3 3.81Å; F1067-W1080 HydrophobicContact CZ-CE3 4.03Å; F1067-W1080 AromaticContact CZ-CZ3 3.91Å; F1067-W1080 HydrophobicContact CZ-CZ3 3.91Å; F1067-L1081 HydrophobicContact CE2-CD1 3.88Å; F1067-L1081 HydrophobicContact CE2-CD2 4.45Å; F1067-L1081 HydrophobicContact CE2-CG 4.21Å; F1067-L1081 HydrophobicContact CZ-CD1 4.06Å; F1067-L1081 HydrophobicContact CZ-CD2 3.92Å; F1067-L1081 HydrophobicContact CZ-CG 3.86Å
1068	I	90.1	Very high	79.1	Confident	9 Å²	9	56.6 Å²	56.6	5%	0.046	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124.3	-177.8	-52.8	176.3	0	0	0	108.5	P756 Y830 M972 V973 Q974 Y1009 H1010 L1012 V1066	P756-I1068 HydrophobicContact CG-CD1 4.42Å; Y830-I1068 HydrophobicContact CE2-CG2 3.78Å; M972-I1068 HydrophobicContact CB-CG2 4.47Å; V973-I1068 WeakPolarHBondContact O-CA 3.47Å; Q974-I1068 HydrophobicContact CG-CG1 4.26Å; Y1009-I1068 PolarHBondContact N-O 3.23Å; H1010-I1068 HydrophobicContact CB-CB 4.18Å; H1010-I1068 HydrophobicContact CB-CD1 4.38Å; H1010-I1068 PolarHBondContact N-O 2.89Å; H1010-I1068 PolarHBondContact O-N 2.85Å; L1012-I1068 HydrophobicContact CD1-CD1 3.97Å; V1066-I1068 HydrophobicContact CG1-CG1 4.16Å
1069	G	91.6	Very high	81.6	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.6	-171.7	-175.8	0	0	0	0	0	114.3	V973 N1007	V973-G1069 PolarHBondContact N-O 2.98Å; V973-G1069 PolarHBondContact O-N 3.2Å; V973-G1069 VanDerWaalsContact O-N 3.08Å; N1007-G1069 CarbonylContact O-C 3.56Å; N1007-G1069 WeakPolarHBondContact O-CA 3.45Å
1070	C	91.5	Very high	84.2	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.02	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	133.6	-175.5	-64.6	0	0	0	0	111.2	F1004 G1006 N1007 L1072	F1004-C1070 HydrophobicContact CB-CB 4.07Å; F1004-C1070 VanDerWaalsContact O-CB 3.3Å; F1004-C1070 WeakPolarHBondContact O-CB 3.36Å; G1006-C1070 WeakPolarHBondContact CA-O 3.38Å; G1006-C1070 PolarHBondContact N-O 2.95Å; N1007-C1070 PolarHBondContact O-N 3.15Å; C1070-L1072 PolarHBondContact O-N 3.44Å; C1070-L1072 VanDerWaalsContact O-N 3.14Å
1071	S	88.3	Confident	86.3	Confident	70 Å²	70	47.5 Å²	47.5	49%	0.49	24%	0.239	S	C	.	.	S	Bend	trans	51.2	36.9	177.1	-56.7	0	0	0	0	114.4	S1005	S1005-S1071 WeakPolarHBondContact OG-CB 3.47Å
1072	L	90.9	Very high	88.2	Confident	21 Å²	21	44.8 Å²	44.8	11%	0.11	22%	0.223	C	C	.	.			trans	-70.5	143.6	-178.8	-62.7	-176.2	0	0	0	111.6	I975 I1008 F1067 C1070 I1077	I975-L1072 HydrophobicContact CD1-CB 3.71Å; I975-L1072 HydrophobicContact CG1-CB 4.4Å; I1008-L1072 HydrophobicContact CG1-CD1 4.47Å; I1008-L1072 HydrophobicContact CG1-CD2 3.68Å; F1067-L1072 HydrophobicContact CB-CD1 4.28Å; C1070-L1072 PolarHBondContact O-N 3.44Å; C1070-L1072 VanDerWaalsContact O-N 3.14Å; L1072-I1077 HydrophobicContact CB-CD1 4.17Å; L1072-I1077 HydrophobicContact CD1-CD1 4.18Å
1073	K	90.9	Very high	89.1	Confident	152 Å²	152	44 Å²	44	66%	0.661	22%	0.22	S	C	*	.			trans	-116.2	130.3	173.9	-63.1	-175.9	-178.2	-178.6	0	109.6	D1075 S1076 I1077	K1073-D1075 VanDerWaalsContact C-N 3.32Å; K1073-D1075 PolarHBondContact O-N 2.85Å; K1073-S1076 PolarHBondContact O-N 3.27Å; K1073-I1077 PolarHBondContact O-N 3.39Å
1074	E	88.3	Confident	89.1	Confident	91 Å²	91	43.8 Å²	43.8	43%	0.425	22%	0.218	S	C	.	.	H	α-helix	trans	-58.3	-42.3	-176.1	-169.8	-176.4	154.1	0	0	112.4	I975 S1076 I1077 K1078	I975-E1074 HydrophobicContact CD1-CB 4.38Å; I975-E1074 HydrophobicContact CG2-CB 4.18Å; I975-E1074 HydrophobicContact CG2-CG 3.92Å; E1074-S1076 VanDerWaalsContact C-N 3.34Å; E1074-S1076 PolarHBondContact O-N 2.74Å; E1074-I1077 PolarHBondContact O-N 3.16Å; E1074-I1077 VanDerWaalsContact O-N 3.16Å; E1074-K1078 HydrophobicContact CG-CD 4.3Å; E1074-K1078 PolarHBondContact O-N 2.85Å; E1074-K1078 WeakPolarHBondContact OE1-CE 3.18Å; E1074-K1078 IonicContact OE1-NZ 3.94Å; E1074-K1078 PolarHBondContact OE1-NZ 2.93Å
1075	D	88.3	Confident	88.9	Confident	118 Å²	118	42.2 Å²	42.2	63%	0.631	21%	0.214	S	C	*	.	H	α-helix	trans	-60.2	-42.6	179.5	-65.1	-35.7	0	0	0	112.5	K1073 I1077 K1078 D1079	K1073-D1075 VanDerWaalsContact C-N 3.32Å; K1073-D1075 PolarHBondContact O-N 2.85Å; D1075-I1077 VanDerWaalsContact C-N 3.3Å; D1075-I1077 PolarHBondContact O-N 3.13Å; D1075-K1078 PolarHBondContact O-N 3.07Å; D1075-D1079 PolarHBondContact O-N 3.4Å
1076	S	88.9	Confident	88.3	Confident	73 Å²	73	49.5 Å²	49.5	51%	0.51	25%	0.246	S	C	.	.	H	α-helix	trans	-64.8	-35.2	178.1	-54.4	0	0	0	0	112.2	K1073 E1074 W1080	K1073-S1076 PolarHBondContact O-N 3.27Å; E1074-S1076 VanDerWaalsContact C-N 3.34Å; E1074-S1076 PolarHBondContact O-N 2.74Å; S1076-W1080 WeakPolarHBondContact O-CB 3.49Å; S1076-W1080 PolarHBondContact O-N 3.22Å
1077	I	90.6	Very high	87.6	Confident	5 Å²	5	53.1 Å²	53.1	3%	0.026	26%	0.263	C	S	.	.	H	α-helix	trans	-71.4	-41.7	175.8	-65.4	171.7	0	0	0	110.8	I975 V977 F1067 L1072 K1073 E1074 D1075 D1079 W1080 L1081	I975-I1077 HydrophobicContact CB-CD1 3.84Å; I975-I1077 HydrophobicContact CD1-CD1 3.74Å; I975-I1077 HydrophobicContact CG1-CD1 4.21Å; I975-I1077 HydrophobicContact CG2-CD1 4.04Å; V977-I1077 HydrophobicContact CG2-CG2 3.93Å; F1067-I1077 HydrophobicContact CB-CD1 3.83Å; F1067-I1077 HydrophobicContact CD1-CG2 4.05Å; F1067-I1077 HydrophobicContact CD2-CD1 4.47Å; F1067-I1077 HydrophobicContact CD2-CG2 3.37Å; F1067-I1077 HydrophobicContact CE1-CG2 4.04Å; F1067-I1077 HydrophobicContact CE2-CG2 3.37Å; F1067-I1077 HydrophobicContact CG-CD1 4.12Å; F1067-I1077 HydrophobicContact CG-CG2 3.73Å; F1067-I1077 HydrophobicContact CZ-CG2 3.72Å; L1072-I1077 HydrophobicContact CB-CD1 4.17Å; L1072-I1077 HydrophobicContact CD1-CD1 4.18Å; K1073-I1077 PolarHBondContact O-N 3.39Å; E1074-I1077 PolarHBondContact O-N 3.16Å; E1074-I1077 VanDerWaalsContact O-N 3.16Å; D1075-I1077 VanDerWaalsContact C-N 3.3Å; D1075-I1077 PolarHBondContact O-N 3.13Å; I1077-D1079 VanDerWaalsContact C-N 3.31Å; I1077-D1079 PolarHBondContact O-N 2.79Å; I1077-W1080 WeakPolarHBondContact O-CB 3.42Å; I1077-W1080 PolarHBondContact O-N 3.3Å; I1077-L1081 HydrophobicContact CG2-CD1 4.38Å; I1077-L1081 PolarHBondContact O-N 3.39Å
1078	K	89.2	Confident	86.6	Confident	53 Å²	53	59.4 Å²	59.4	23%	0.23	29%	0.29	C	S	.	.	H	α-helix	trans	-59.2	-43.6	174.8	-77.5	175.2	165.1	164	0	111.1	V977 E1074 D1075 L1081 R1082 F1173	V977-K1078 HydrophobicContact CG1-CG 4.22Å; E1074-K1078 HydrophobicContact CG-CD 4.3Å; E1074-K1078 PolarHBondContact O-N 2.85Å; E1074-K1078 WeakPolarHBondContact OE1-CE 3.18Å; E1074-K1078 IonicContact OE1-NZ 3.94Å; E1074-K1078 PolarHBondContact OE1-NZ 2.93Å; D1075-K1078 PolarHBondContact O-N 3.07Å; K1078-L1081 PolarHBondContact O-N 3.32Å; K1078-R1082 WeakPolarHBondContact O-CG 3.32Å; K1078-R1082 PolarHBondContact O-N 3.27Å; K1078-F1173 HydrophobicContact CB-CE2 3.69Å; K1078-F1173 HydrophobicContact CB-CZ 3.89Å; K1078-F1173 HydrophobicContact CD-CE2 4.48Å; K1078-F1173 HydrophobicContact CG-CE1 4.26Å; K1078-F1173 HydrophobicContact CG-CE2 3.83Å; K1078-F1173 HydrophobicContact CG-CZ 3.7Å
1079	D	88.2	Confident	85.8	Confident	77 Å²	77	61.7 Å²	61.7	41%	0.412	31%	0.305	S	S	.	.	H	α-helix	trans	-64.8	-38.8	174.9	-73.1	-21.7	0	0	0	112.9	D1075 I1077 R1082 Q1083	D1075-D1079 PolarHBondContact O-N 3.4Å; I1077-D1079 VanDerWaalsContact C-N 3.31Å; I1077-D1079 PolarHBondContact O-N 2.79Å; D1079-R1082 PolarHBondContact O-N 3.45Å; D1079-R1082 IonicContact OD1-CZ 3.93Å; D1079-R1082 IonicContact OD1-NH1 3.42Å; D1079-R1082 PolarHBondContact OD1-NH1 2.95Å; D1079-Q1083 WeakPolarHBondContact O-CG 3.28Å; D1079-Q1083 PolarHBondContact O-N 2.94Å; D1079-Q1083 PolarHBondContact O-NE2 3.38Å
1080	W	90.6	Very high	85	Confident	37 Å²	37	70 Å²	70	14%	0.14	34%	0.344	C	S	.	.	H	α-helix	trans	-62.7	-42.4	173.6	-176.5	99.4	0	0	0	111.9	F988 K991 I995 I1011 F1067 S1076 I1077 Q1083 S1084	F988-W1080 HydrophobicContact CD2-CH2 4.12Å; F988-W1080 HydrophobicContact CD2-CZ3 4.31Å; F988-W1080 AromaticContact CE2-CH2 3.87Å; F988-W1080 HydrophobicContact CE2-CH2 3.87Å; F988-W1080 HydrophobicContact CE2-CZ3 4.01Å; K991-W1080 HydrophobicContact CB-CH2 4.22Å; K991-W1080 HydrophobicContact CB-CZ2 3.55Å; I995-W1080 HydrophobicContact CD1-CZ2 3.8Å; I995-W1080 HydrophobicContact CG1-CZ2 4.38Å; I1011-W1080 HydrophobicContact CD1-CH2 4.07Å; I1011-W1080 HydrophobicContact CD1-CZ2 4.48Å; F1067-W1080 AromaticContact CE1-CE3 3.91Å; F1067-W1080 HydrophobicContact CE1-CE3 3.91Å; F1067-W1080 HydrophobicContact CE1-CH2 4.48Å; F1067-W1080 AromaticContact CE1-CZ3 3.81Å; F1067-W1080 HydrophobicContact CE1-CZ3 3.81Å; F1067-W1080 HydrophobicContact CZ-CE3 4.03Å; F1067-W1080 AromaticContact CZ-CZ3 3.91Å; F1067-W1080 HydrophobicContact CZ-CZ3 3.91Å; S1076-W1080 WeakPolarHBondContact O-CB 3.49Å; S1076-W1080 PolarHBondContact O-N 3.22Å; I1077-W1080 WeakPolarHBondContact O-CB 3.42Å; I1077-W1080 PolarHBondContact O-N 3.3Å; W1080-Q1083 WeakPolarHBondContact O-CB 3.48Å; W1080-Q1083 PolarHBondContact O-N 3.24Å; W1080-S1084 PolarHBondContact O-N 3.36Å; W1080-S1084 PolarHBondContact O-OG 3.06Å
1081	L	89.3	Confident	84.4	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-66.1	-41.5	176.8	-84.6	173	0	0	0	112.2	V977 L983 L1065 F1067 I1077 K1078 Q1083 S1084 A1085 L1172 F1173	V977-L1081 HydrophobicContact CB-CD1 4Å; V977-L1081 HydrophobicContact CG1-CD1 3.79Å; V977-L1081 HydrophobicContact CG2-CD1 4.46Å; L983-L1081 HydrophobicContact CD1-CD2 4.18Å; L1065-L1081 HydrophobicContact CD1-CD2 3.59Å; F1067-L1081 HydrophobicContact CE2-CD1 3.88Å; F1067-L1081 HydrophobicContact CE2-CD2 4.45Å; F1067-L1081 HydrophobicContact CE2-CG 4.21Å; F1067-L1081 HydrophobicContact CZ-CD1 4.06Å; F1067-L1081 HydrophobicContact CZ-CD2 3.92Å; F1067-L1081 HydrophobicContact CZ-CG 3.86Å; I1077-L1081 HydrophobicContact CG2-CD1 4.38Å; I1077-L1081 PolarHBondContact O-N 3.39Å; K1078-L1081 PolarHBondContact O-N 3.32Å; L1081-Q1083 PolarHBondContact O-N 3.28Å; L1081-S1084 WeakPolarHBondContact O-CA 3.23Å; L1081-S1084 WeakPolarHBondContact O-CB 3.48Å; L1081-S1084 PolarHBondContact O-N 3.26Å; L1081-A1085 PolarHBondContact O-N 3.04Å; L1081-L1172 HydrophobicContact CB-CD2 3.96Å; L1081-F1173 HydrophobicContact CB-CZ 4.15Å; L1081-F1173 HydrophobicContact CD1-CE1 4.48Å; L1081-F1173 HydrophobicContact CD1-CZ 4.19Å
1082	R	87.4	Confident	84.2	Confident	84 Å²	84	80 Å²	80	32%	0.317	37%	0.373	S	S	.	.	H	α-helix	trans	-53.9	-40.8	174.1	-77.4	175.6	-177.7	122.9	1.6	111.2	K1078 D1079 S1084 A1085 Q1087 D1171 F1173	K1078-R1082 WeakPolarHBondContact O-CG 3.32Å; K1078-R1082 PolarHBondContact O-N 3.27Å; D1079-R1082 PolarHBondContact O-N 3.45Å; D1079-R1082 IonicContact OD1-CZ 3.93Å; D1079-R1082 IonicContact OD1-NH1 3.42Å; D1079-R1082 PolarHBondContact OD1-NH1 2.95Å; R1082-S1084 PolarHBondContact O-N 3Å; R1082-A1085 PolarHBondContact O-N 3.34Å; R1082-A1085 VanDerWaalsContact O-N 3.13Å; R1082-Q1087 PolarHBondContact O-NE2 2.75Å; R1082-D1171 IonicContact CZ-OD2 3.09Å; R1082-D1171 IonicContact NE-OD1 2.82Å; R1082-D1171 PolarHBondContact NE-OD1 3.34Å; R1082-D1171 IonicContact NE-OD2 3.65Å; R1082-D1171 PolarHBondContact NE-OD2 3.27Å; R1082-D1171 IonicContact NH2-OD2 3.67Å; R1082-D1171 PolarHBondContact NH2-OD2 3.5Å; R1082-F1173 HydrophobicContact CG-CE2 4.04Å
1083	Q	84.9	Confident	83.7	Confident	84 Å²	84	82.5 Å²	82.5	39%	0.393	40%	0.398	S	S	.	.	H	α-helix	trans	-67.3	-20.5	178.5	-66.2	172	38.8	0	0	114	D1079 W1080 L1081 Q1087	D1079-Q1083 WeakPolarHBondContact O-CG 3.28Å; D1079-Q1083 PolarHBondContact O-N 2.94Å; D1079-Q1083 PolarHBondContact O-NE2 3.38Å; W1080-Q1083 WeakPolarHBondContact O-CB 3.48Å; W1080-Q1083 PolarHBondContact O-N 3.24Å; L1081-Q1083 PolarHBondContact O-N 3.28Å; Q1083-Q1087 VanDerWaalsContact CA-NE2 3.32Å
1084	S	85.1	Confident	83.4	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-88.6	-11.6	175.6	-58.9	0	0	0	0	113	E984 W1080 L1081 R1082	E984-S1084 PolarHBondContact N-O 3.46Å; W1080-S1084 PolarHBondContact O-N 3.36Å; W1080-S1084 PolarHBondContact O-OG 3.06Å; L1081-S1084 WeakPolarHBondContact O-CA 3.23Å; L1081-S1084 WeakPolarHBondContact O-CB 3.48Å; L1081-S1084 PolarHBondContact O-N 3.26Å; R1082-S1084 PolarHBondContact O-N 3Å
1085	A	83.2	Confident	83.1	Confident	10 Å²	10	77.7 Å²	77.7	8%	0.083	38%	0.379	C	S	.	.	S	Bend	trans	-89.2	169.1	171.6	0	0	0	0	0	111.7	L983 L1081 R1082 Q1087 L1172	L983-A1085 HydrophobicContact CD2-CB 4.11Å; L1081-A1085 PolarHBondContact O-N 3.04Å; R1082-A1085 PolarHBondContact O-N 3.34Å; R1082-A1085 VanDerWaalsContact O-N 3.13Å; A1085-Q1087 PolarHBondContact O-N 2.63Å; A1085-Q1087 VanDerWaalsContact O-N 3.11Å; A1085-Q1087 PolarHBondContact O-NE2 3.4Å; A1085-L1172 HydrophobicContact CB-CD1 4.35Å; A1085-L1172 HydrophobicContact CB-CD2 4.4Å
1086	K	77.9	Confident	82.8	Confident	153 Å²	153	75.9 Å²	75.9	67%	0.665	37%	0.372	S	S	*	.			trans	-57.6	114.7	175.7	-177.1	179.1	-174.8	-177.9	0	109.5	E984 Y1169	E984-K1086 WeakPolarHBondContact OE1-CA 3.43Å; E984-K1086 WeakPolarHBondContact OE1-CB 3.27Å; K1086-Y1169 WeakPolarHBondContact O-CE2 3.4Å; K1086-Y1169 PolarHBondContact O-OH 3.32Å
1087	Q	72.6	Confident	82.3	Confident	76 Å²	76	78.1 Å²	78.1	36%	0.355	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-73.4	148.1	-176.3	-64.5	-59.1	-69	0	0	112.8	R1082 Q1083 A1085 P1089	R1082-Q1087 PolarHBondContact O-NE2 2.75Å; Q1083-Q1087 VanDerWaalsContact CA-NE2 3.32Å; A1085-Q1087 PolarHBondContact O-N 2.63Å; A1085-Q1087 VanDerWaalsContact O-N 3.11Å; A1085-Q1087 PolarHBondContact O-NE2 3.4Å; Q1087-P1089 WeakPolarHBondContact O-CD 3.45Å
1088	K	71.6	Confident	81.5	Confident	132 Å²	132	81.7 Å²	81.7	57%	0.574	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-64	123.9	168	-169.7	172.2	-178.1	172.4	0	109	Q1090 Y1169	K1088-Q1090 PolarHBondContact O-N 3.29Å; K1088-Y1169 VanDerWaalsContact CA-CE2 3.44Å; K1088-Y1169 HydrophobicContact CB-CD1 4.11Å; K1088-Y1169 HydrophobicContact CB-CD2 3.92Å; K1088-Y1169 HydrophobicContact CB-CE1 3.99Å; K1088-Y1169 HydrophobicContact CB-CE2 3.76Å; K1088-Y1169 HydrophobicContact CB-CG 4.07Å; K1088-Y1169 HydrophobicContact CD-CD1 4.21Å; K1088-Y1169 HydrophobicContact CD-CG 4.18Å; K1088-Y1169 HydrophobicContact CG-CD1 4.35Å; K1088-Y1169 HydrophobicContact CG-CD2 4.1Å; K1088-Y1169 HydrophobicContact CG-CE2 4.46Å; K1088-Y1169 HydrophobicContact CG-CG 4.02Å; K1088-Y1169 VanDerWaalsContact N-CE2 3.28Å; K1088-Y1169 PolarHBondContact N-OH 3.13Å
1089	P	72.8	Confident	81.1	Confident	56 Å²	56	84.3 Å²	84.3	36%	0.364	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-59.9	135	175.2	-18.6	29.6	0	0	0	110.4	Q1087 L1164	Q1087-P1089 WeakPolarHBondContact O-CD 3.45Å; P1089-L1164 HydrophobicContact CB-CD1 4.17Å; P1089-L1164 HydrophobicContact CB-CD2 3.58Å; P1089-L1164 HydrophobicContact CG-CD2 3.71Å
1090	Q	74.9	Confident	80.8	Confident	175 Å²	175	81.4 Å²	81.4	82%	0.818	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-76.3	146.2	178.2	-68.1	-174.6	-6.8	0	0	111.1	K1088 K1092	K1088-Q1090 PolarHBondContact O-N 3.29Å; Q1090-K1092 PolarHBondContact O-N 3.18Å
1091	R	78.9	Confident	80.5	Confident	173 Å²	173	83.1 Å²	83.1	65%	0.653	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-59.3	134.6	169.9	-84	176.1	137	-156.3	-9.8	109.4	N1161 E1165	R1091-N1161 WeakPolarHBondContact CA-OD1 3.28Å; R1091-N1161 HydrophobicContact CG-CB 4.45Å; R1091-E1165 IonicContact CZ-OE1 2.65Å; R1091-E1165 IonicContact NE-OE1 3.21Å; R1091-E1165 PolarHBondContact NE-OE1 2.7Å; R1091-E1165 IonicContact NH2-OE1 2.66Å; R1091-E1165 PolarHBondContact NH2-OE1 2.91Å
1092	K	83.3	Confident	79.9	Confident	109 Å²	109	90.1 Å²	90.1	47%	0.474	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-75.4	129.3	170.5	-74.5	176.2	-175	173.6	0	108.4	Q1090 I1157 Y1160 N1161	Q1090-K1092 PolarHBondContact O-N 3.18Å; K1092-I1157 HydrophobicContact CB-CB 4.47Å; K1092-I1157 HydrophobicContact CB-CG1 4.19Å; K1092-I1157 HydrophobicContact CB-CG2 3.74Å; K1092-I1157 HydrophobicContact CD-CG1 4.45Å; K1092-I1157 VanDerWaalsContact O-CG2 3.24Å; K1092-I1157 WeakPolarHBondContact O-CG2 3.48Å; K1092-Y1160 HydrophobicContact CB-CD1 4.26Å; K1092-Y1160 HydrophobicContact CB-CE1 4.46Å; K1092-Y1160 HydrophobicContact CD-CD1 3.62Å; K1092-Y1160 HydrophobicContact CD-CE1 3.78Å; K1092-Y1160 HydrophobicContact CD-CG 4.21Å; K1092-Y1160 HydrophobicContact CG-CD1 3.85Å; K1092-Y1160 HydrophobicContact CG-CE1 3.71Å; K1092-N1161 PolarHBondContact N-OD1 3.1Å; K1092-N1161 PolarHBondContact O-ND2 3.41Å
1093	A	81.8	Confident	79.5	Confident	75 Å²	75	93.8 Å²	93.8	62%	0.62	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-68.7	142.6	174.5	0	0	0	0	0	110.3	K1095	A1093-K1095 PolarHBondContact O-N 3.29Å
1094	L	84.8	Confident	79.3	Confident	84 Å²	84	91.5 Å²	91.5	44%	0.44	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-63.4	132.2	174.7	-64	173.6	0	0	0	109.4	N1154 I1157 E1158	L1094-N1154 WeakPolarHBondContact CA-OD1 3.29Å; L1094-N1154 HydrophobicContact CD2-CB 3.92Å; L1094-I1157 HydrophobicContact CD2-CB 4.46Å; L1094-I1157 HydrophobicContact CD2-CG2 3.92Å; L1094-E1158 HydrophobicContact CD2-CG 3.97Å
1095	K	81.5	Confident	79.1	Confident	58 Å²	58	93.4 Å²	93.4	25%	0.252	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-67.8	137.1	173.1	-72.2	-168.9	175.5	-174.4	0	109.1	A1093 E1104 V1150 A1153 N1154 I1157	A1093-K1095 PolarHBondContact O-N 3.29Å; K1095-E1104 IonicContact NZ-OE1 2.69Å; K1095-E1104 PolarHBondContact NZ-OE1 3.47Å; K1095-V1150 WeakPolarHBondContact O-CG1 3.4Å; K1095-A1153 HydrophobicContact CD-CB 4.16Å; K1095-N1154 PolarHBondContact N-OD1 3.35Å; K1095-N1154 PolarHBondContact O-ND2 3.44Å; K1095-N1154 PolarHBondContact O-OD1 2.98Å; K1095-I1157 HydrophobicContact CG-CD1 4.03Å
1096	T	82.4	Confident	79	Confident	80 Å²	80	100.2 Å²	100.2	49%	0.491	50%	0.497	S	S	.	.			trans	-114.3	161.8	168.2	60.8	0	0	0	0	109	G1098 M1099	T1096-G1098 PolarHBondContact O-N 3.45Å; T1096-G1098 VanDerWaalsContact O-N 3.12Å; T1096-M1099 WeakPolarHBondContact O-CB 2.86Å; T1096-M1099 PolarHBondContact O-N 3.02Å; T1096-M1099 WeakPolarHBondContact OG1-CG 3.5Å
1097	R	76.7	Confident	79.2	Confident	120 Å²	120	95.7 Å²	95.7	45%	0.453	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-52.8	-36.1	-178.9	-176.6	175.8	167.7	166	-1.7	113.1	M1099 D1143	R1097-M1099 VanDerWaalsContact C-N 3.26Å; R1097-M1099 PolarHBondContact O-N 3.41Å; R1097-D1143 IonicContact CZ-OD1 2.78Å; R1097-D1143 IonicContact CZ-OD2 3.61Å; R1097-D1143 IonicContact NH1-OD1 3.91Å; R1097-D1143 IonicContact NH1-OD2 3.9Å; R1097-D1143 PolarHBondContact NH1-OD2 2.91Å; R1097-D1143 IonicContact NH2-OD1 3.97Å; R1097-D1143 PolarHBondContact NH2-OD1 3.11Å; R1097-D1143 IonicContact NH2-OD2 2.68Å; R1097-D1143 PolarHBondContact NH2-OD2 3.48Å
1098	G	74.8	Confident	79.7	Confident	79 Å²	79	92.6 Å²	92.6	81%	0.814	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-72.5	-11.8	177.8	0	0	0	0	0	115.2	T1096	T1096-G1098 PolarHBondContact O-N 3.45Å; T1096-G1098 VanDerWaalsContact O-N 3.12Å
1099	M	80	Confident	80.2	Confident	109 Å²	109	87.5 Å²	87.5	54%	0.537	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-94.2	-2.1	179.5	-62.4	176.3	83.7	0	0	113.2	T1096 R1097 T1101	T1096-M1099 WeakPolarHBondContact O-CB 2.86Å; T1096-M1099 PolarHBondContact O-N 3.02Å; T1096-M1099 WeakPolarHBondContact OG1-CG 3.5Å; R1097-M1099 VanDerWaalsContact C-N 3.26Å; R1097-M1099 PolarHBondContact O-N 3.41Å; M1099-T1101 PolarHBondContact O-N 3.4Å
1100	L	82.9	Confident	80.6	Confident	15 Å²	15	89.4 Å²	89.4	8%	0.079	46%	0.458	C	S	.	.			trans	-74.1	122	177	-65.6	175.3	0	0	0	110.4	I1105 I1108 M1146 Y1149 V1150	L1100-I1105 HydrophobicContact CB-CD1 4.23Å; L1100-I1105 HydrophobicContact CB-CG1 3.94Å; L1100-I1108 HydrophobicContact CD1-CD1 4.44Å; L1100-M1146 HydrophobicContact CD1-CB 3.94Å; L1100-M1146 HydrophobicContact CD1-CG 4.03Å; L1100-M1146 HydrophobicContact CD1-SD 4.29Å; L1100-Y1149 HydrophobicContact CD2-CD1 3.71Å; L1100-Y1149 HydrophobicContact CD2-CE1 3.62Å; L1100-V1150 HydrophobicContact CD1-CG2 3.89Å; L1100-V1150 HydrophobicContact CD2-CG2 4.06Å; L1100-V1150 HydrophobicContact CG-CG2 4.12Å
1101	T	82.8	Confident	80.9	Confident	73 Å²	73	90 Å²	90	45%	0.448	46%	0.458	S	S	.	.			trans	-70.7	154.5	175.6	61.6	0	0	0	0	111.2	M1099 Q1103 E1104 I1105	M1099-T1101 PolarHBondContact O-N 3.4Å; T1101-Q1103 PolarHBondContact O-N 2.85Å; T1101-Q1103 VanDerWaalsContact O-N 3.14Å; T1101-E1104 PolarHBondContact N-OE2 3.49Å; T1101-E1104 PolarHBondContact O-N 2.99Å; T1101-E1104 WeakPolarHBondContact OG1-CB 3.37Å; T1101-E1104 VanDerWaalsContact OG1-CG 3.25Å; T1101-E1104 WeakPolarHBondContact OG1-CG 3.41Å; T1101-E1104 PolarHBondContact OG1-N 2.93Å; T1101-E1104 PolarHBondContact OG1-OE2 2.94Å; T1101-I1105 WeakPolarHBondContact O-CG1 3.29Å; T1101-I1105 PolarHBondContact O-N 2.96Å
1102	Q	77.7	Confident	81.1	Confident	148 Å²	148	85.8 Å²	85.8	69%	0.692	44%	0.442	S	S	*	.	H	α-helix	trans	-58.1	-29.4	176.5	-71.8	-176.7	1.7	0	0	112.9	R1106	Q1102-R1106 VanDerWaalsContact O-CG 3.31Å; Q1102-R1106 WeakPolarHBondContact O-CG 3.3Å; Q1102-R1106 PolarHBondContact O-N 3.48Å; Q1102-R1106 VanDerWaalsContact O-N 3.09Å
1103	Q	78.8	Confident	80.8	Confident	161 Å²	161	83.5 Å²	83.5	75%	0.752	43%	0.433	S	S	*	.	H	α-helix	trans	-70.3	-42.3	174.8	-71.4	-178.9	-10.6	0	0	112	T1101 R1106 S1107	T1101-Q1103 PolarHBondContact O-N 2.85Å; T1101-Q1103 VanDerWaalsContact O-N 3.14Å; Q1103-R1106 PolarHBondContact O-N 3.29Å; Q1103-S1107 PolarHBondContact O-N 3.45Å
1104	E	81.2	Confident	80.5	Confident	35 Å²	35	87 Å²	87	16%	0.164	44%	0.441	C	S	.	.	H	α-helix	trans	-62.8	-45.9	175	-75.2	168.9	125.5	0	0	111.1	K1095 T1101 R1106 S1107 I1108 Y1149	K1095-E1104 IonicContact NZ-OE1 2.69Å; K1095-E1104 PolarHBondContact NZ-OE1 3.47Å; T1101-E1104 PolarHBondContact N-OE2 3.49Å; T1101-E1104 PolarHBondContact O-N 2.99Å; T1101-E1104 WeakPolarHBondContact OG1-CB 3.37Å; T1101-E1104 VanDerWaalsContact OG1-CG 3.25Å; T1101-E1104 WeakPolarHBondContact OG1-CG 3.41Å; T1101-E1104 PolarHBondContact OG1-N 2.93Å; T1101-E1104 PolarHBondContact OG1-OE2 2.94Å; E1104-R1106 VanDerWaalsContact C-N 3.31Å; E1104-R1106 PolarHBondContact O-N 3.28Å; E1104-S1107 PolarHBondContact O-N 3.48Å; E1104-S1107 PolarHBondContact O-OG 2.98Å; E1104-I1108 VanDerWaalsContact O-CG1 3.23Å; E1104-I1108 WeakPolarHBondContact O-CG1 3.44Å; E1104-I1108 PolarHBondContact O-N 2.91Å; E1104-Y1149 PolarHBondContact OE1-OH 2.94Å
1105	I	81.6	Confident	80.3	Confident	40 Å²	40	86.4 Å²	86.4	21%	0.205	44%	0.436	C	S	.	.	H	α-helix	trans	-57.3	-44.7	176.8	-63.9	170.6	0	0	0	110.5	L1100 T1101 S1107 I1108 H1109 F1138 M1142 M1146	L1100-I1105 HydrophobicContact CB-CD1 4.23Å; L1100-I1105 HydrophobicContact CB-CG1 3.94Å; T1101-I1105 WeakPolarHBondContact O-CG1 3.29Å; T1101-I1105 PolarHBondContact O-N 2.96Å; I1105-S1107 PolarHBondContact O-N 3.4Å; I1105-I1108 PolarHBondContact O-N 3.1Å; I1105-H1109 PolarHBondContact O-N 2.91Å; I1105-F1138 HydrophobicContact CG2-CE1 4.26Å; I1105-M1142 HydrophobicContact CB-CE 4.47Å; I1105-M1142 HydrophobicContact CG2-CE 3.58Å; I1105-M1142 WeakPolarHBondContact O-CE 3.34Å; I1105-M1146 HydrophobicContact CD1-SD 4.41Å; I1105-M1146 HydrophobicContact CG1-SD 4.16Å; I1105-M1146 HydrophobicContact CG2-SD 4.29Å
1106	R	79.5	Confident	80.2	Confident	154 Å²	154	89.2 Å²	89.2	58%	0.581	46%	0.46	S	S	*	.	H	α-helix	trans	-64.1	-39.5	174.7	-73.5	176.6	-172.1	176.2	4.4	112.5	Q1102 Q1103 E1104 H1109 V1110	Q1102-R1106 VanDerWaalsContact O-CG 3.31Å; Q1102-R1106 WeakPolarHBondContact O-CG 3.3Å; Q1102-R1106 PolarHBondContact O-N 3.48Å; Q1102-R1106 VanDerWaalsContact O-N 3.09Å; Q1103-R1106 PolarHBondContact O-N 3.29Å; E1104-R1106 VanDerWaalsContact C-N 3.31Å; E1104-R1106 PolarHBondContact O-N 3.28Å; R1106-H1109 PolarHBondContact O-N 3.04Å; R1106-V1110 VanDerWaalsContact O-CG2 3.29Å; R1106-V1110 WeakPolarHBondContact O-CG2 3.39Å; R1106-V1110 PolarHBondContact O-N 2.83Å
1107	S	81.9	Confident	80.2	Confident	58 Å²	58	88 Å²	88	41%	0.406	45%	0.45	S	S	.	.	H	α-helix	trans	-67.5	-37.8	178.3	91.1	0	0	0	0	112.6	Q1103 E1104 I1105 H1109 V1110 K1111	Q1103-S1107 PolarHBondContact O-N 3.45Å; E1104-S1107 PolarHBondContact O-N 3.48Å; E1104-S1107 PolarHBondContact O-OG 2.98Å; I1105-S1107 PolarHBondContact O-N 3.4Å; S1107-H1109 VanDerWaalsContact C-N 3.32Å; S1107-V1110 PolarHBondContact O-N 3.49Å; S1107-K1111 PolarHBondContact O-N 2.89Å
1108	I	83.6	Confident	80.3	Confident	10 Å²	10	84.2 Å²	84.2	5%	0.051	44%	0.441	C	S	.	.	H	α-helix	trans	-62.1	-46	174.8	-66.8	161.8	0	0	0	108.7	L1100 E1104 I1105 K1111 R1112 M1142 F1145 M1146 Y1149	L1100-I1108 HydrophobicContact CD1-CD1 4.44Å; E1104-I1108 VanDerWaalsContact O-CG1 3.23Å; E1104-I1108 WeakPolarHBondContact O-CG1 3.44Å; E1104-I1108 PolarHBondContact O-N 2.91Å; I1105-I1108 PolarHBondContact O-N 3.1Å; I1108-K1111 PolarHBondContact O-N 2.87Å; I1108-R1112 PolarHBondContact O-N 2.95Å; I1108-M1142 HydrophobicContact CB-CE 4.02Å; I1108-M1142 HydrophobicContact CG2-CE 3.92Å; I1108-M1142 HydrophobicContact CG2-SD 4.49Å; I1108-F1145 HydrophobicContact CG2-CB 3.75Å; I1108-M1146 HydrophobicContact CD1-CG 4.47Å; I1108-Y1149 HydrophobicContact CD1-CD1 3.49Å; I1108-Y1149 VanDerWaalsContact CD1-CD1 3.49Å; I1108-Y1149 HydrophobicContact CD1-CD2 4.19Å; I1108-Y1149 HydrophobicContact CD1-CE1 4.02Å; I1108-Y1149 HydrophobicContact CD1-CG 3.56Å; I1108-Y1149 HydrophobicContact CG1-CD1 4.18Å; I1108-Y1149 HydrophobicContact CG1-CD2 3.96Å; I1108-Y1149 HydrophobicContact CG1-CE2 4.41Å; I1108-Y1149 HydrophobicContact CG1-CG 3.81Å
1109	H	81.5	Confident	80.4	Confident	26 Å²	26	85.6 Å²	85.6	12%	0.12	45%	0.445	C	S	.	.	H	α-helix	trans	-60.8	-51.8	176.1	-174.8	56.5	0	0	0	111.4	I1105 R1106 S1107 K1111 R1112 H1113 F1128 F1138 H1139 M1142	I1105-H1109 PolarHBondContact O-N 2.91Å; R1106-H1109 PolarHBondContact O-N 3.04Å; S1107-H1109 VanDerWaalsContact C-N 3.32Å; H1109-K1111 VanDerWaalsContact C-N 3.26Å; H1109-K1111 PolarHBondContact O-N 2.79Å; H1109-R1112 CarbonylContact O-C 3.55Å; H1109-R1112 PolarHBondContact O-N 3.13Å; H1109-H1113 VanDerWaalsContact CE1-CB 3.45Å; H1109-H1113 WeakPolarHBondContact CE1-CB 3.21Å; H1109-H1113 WeakPolarHBondContact O-CA 3.21Å; H1109-H1113 WeakPolarHBondContact O-CB 3.49Å; H1109-H1113 PolarHBondContact O-N 2.85Å; H1109-H1113 PolarHBondContact O-ND1 2.87Å; H1109-F1128 AromaticContact CE1-CE2 3.57Å; H1109-F1128 AromaticContact NE2-CE2 3.95Å; H1109-F1138 HydrophobicContact CB-CD1 4Å; H1109-F1138 HydrophobicContact CB-CE1 4.36Å; H1109-F1138 AromaticContact CG-CD1 3.75Å; H1109-H1139 PolarHBondContact CE1-N 3.37Å; H1109-H1139 PolarHBondContact ND1-N 3.48Å; H1109-M1142 HydrophobicContact CB-CE 3.75Å; H1109-M1142 HydrophobicContact CB-SD 3.82Å
1110	V	82.6	Confident	80.2	Confident	95 Å²	95	82.4 Å²	82.4	58%	0.576	44%	0.44	S	S	*	.	H	α-helix	trans	-59.2	-35.1	-179.7	171.1	0	0	0	0	112.3	R1106 S1107 H1113	R1106-V1110 VanDerWaalsContact O-CG2 3.29Å; R1106-V1110 WeakPolarHBondContact O-CG2 3.39Å; R1106-V1110 PolarHBondContact O-N 2.83Å; S1107-V1110 PolarHBondContact O-N 3.49Å; V1110-H1113 PolarHBondContact O-CE1 3.24Å; V1110-H1113 PolarHBondContact O-ND1 2.75Å
1111	K	81.4	Confident	80.2	Confident	188 Å²	188	85.8 Å²	85.8	82%	0.817	45%	0.452	S	S	*	.	H	α-helix	trans	-71.3	-29.9	176.3	-95.1	-177.8	173.3	178.7	0	114	S1107 I1108 H1109	S1107-K1111 PolarHBondContact O-N 2.89Å; I1108-K1111 PolarHBondContact O-N 2.87Å; H1109-K1111 VanDerWaalsContact C-N 3.26Å; H1109-K1111 PolarHBondContact O-N 2.79Å
1112	R	81.4	Confident	80.1	Confident	84 Å²	84	87.8 Å²	87.8	32%	0.317	46%	0.455	S	S	.	.	H	α-helix	trans	-121.1	1.7	-170	-67.2	-162	152.6	-178.7	2.7	115.7	I1108 H1109 L1114 E1115 F1145 D1148	I1108-R1112 PolarHBondContact O-N 2.95Å; H1109-R1112 CarbonylContact O-C 3.55Å; H1109-R1112 PolarHBondContact O-N 3.13Å; R1112-L1114 PolarHBondContact O-N 3.36Å; R1112-L1114 VanDerWaalsContact O-N 3.11Å; R1112-E1115 HydrophobicContact CB-CG 4.29Å; R1112-E1115 WeakPolarHBondContact CD-OE1 3.25Å; R1112-E1115 VanDerWaalsContact CG-OE1 3.32Å; R1112-E1115 WeakPolarHBondContact CG-OE1 3.22Å; R1112-E1115 IonicContact CZ-OE1 3.66Å; R1112-E1115 IonicContact NE-OE1 3Å; R1112-E1115 PolarHBondContact NE-OE1 3.04Å; R1112-E1115 WeakPolarHBondContact O-CB 3.41Å; R1112-E1115 PolarHBondContact O-N 3.44Å; R1112-F1145 HydrophobicContact CB-CD2 3.67Å; R1112-F1145 HydrophobicContact CB-CE2 3.61Å; R1112-F1145 HydrophobicContact CB-CG 4.16Å; R1112-F1145 HydrophobicContact CB-CZ 4.07Å; R1112-D1148 IonicContact CZ-OD2 3.93Å; R1112-D1148 IonicContact NH1-OD2 2.81Å; R1112-D1148 PolarHBondContact NH1-OD2 3.09Å
1113	H	77	Confident	80.3	Confident	61 Å²	61	85.8 Å²	85.8	28%	0.282	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-12.3	-178.7	71.4	-67.6	0	0	0	114.7	H1109 V1110 F1128	H1109-H1113 VanDerWaalsContact CE1-CB 3.45Å; H1109-H1113 WeakPolarHBondContact CE1-CB 3.21Å; H1109-H1113 WeakPolarHBondContact O-CA 3.21Å; H1109-H1113 WeakPolarHBondContact O-CB 3.49Å; H1109-H1113 PolarHBondContact O-N 2.85Å; H1109-H1113 PolarHBondContact O-ND1 2.87Å; V1110-H1113 PolarHBondContact O-CE1 3.24Å; V1110-H1113 PolarHBondContact O-ND1 2.75Å; H1113-F1128 HydrophobicContact CB-CZ 4.28Å
1114	L	76.4	Confident	80.1	Confident	149 Å²	149	81.6 Å²	81.6	78%	0.78	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	2.3	175.5	-61.5	174.7	0	0	0	113	R1112	R1112-L1114 PolarHBondContact O-N 3.36Å; R1112-L1114 VanDerWaalsContact O-N 3.11Å
1115	E	80.9	Confident	79.8	Confident	71 Å²	71	82.4 Å²	82.4	33%	0.332	44%	0.442	S	S	.	.	S	Bend	trans	-67.5	151.7	175.4	-73.2	-171.2	-171.3	0	0	111.3	R1112 L1117 H1139 F1145	R1112-E1115 HydrophobicContact CB-CG 4.29Å; R1112-E1115 WeakPolarHBondContact CD-OE1 3.25Å; R1112-E1115 VanDerWaalsContact CG-OE1 3.32Å; R1112-E1115 WeakPolarHBondContact CG-OE1 3.22Å; R1112-E1115 IonicContact CZ-OE1 3.66Å; R1112-E1115 IonicContact NE-OE1 3Å; R1112-E1115 PolarHBondContact NE-OE1 3.04Å; R1112-E1115 WeakPolarHBondContact O-CB 3.41Å; R1112-E1115 PolarHBondContact O-N 3.44Å; E1115-L1117 PolarHBondContact O-N 3.26Å; E1115-H1139 PolarHBondContact O-NE2 2.76Å; E1115-F1145 HydrophobicContact CB-CZ 4.08Å; E1115-F1145 HydrophobicContact CG-CZ 4.49Å; E1115-F1145 WeakPolarHBondContact OE2-CE1 3.3Å; E1115-F1145 VanDerWaalsContact OE2-CZ 3.23Å; E1115-F1145 WeakPolarHBondContact OE2-CZ 3.33Å
1116	P	79.3	Confident	79.5	Confident	118 Å²	118	85.7 Å²	85.7	77%	0.766	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-59.7	131	-175.8	20.6	-31	0	0	0	111.9
1117	L	81.5	Confident	79.5	Confident	53 Å²	53	81 Å²	81	28%	0.277	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-73	145.9	-176.7	-69.4	165.6	0	0	0	111.7	E1115 F1128 H1139 P1140	E1115-L1117 PolarHBondContact O-N 3.26Å; L1117-F1128 HydrophobicContact CD1-CD1 4.25Å; L1117-F1128 HydrophobicContact CD1-CE1 4.49Å; L1117-F1128 HydrophobicContact CD2-CD1 3.48Å; L1117-F1128 VanDerWaalsContact CD2-CD1 3.48Å; L1117-F1128 HydrophobicContact CD2-CE1 3.7Å; L1117-F1128 HydrophobicContact CG-CD1 4.48Å; L1117-H1139 VanDerWaalsContact CD2-NE2 3.34Å; L1117-H1139 WeakPolarHBondContact CD2-NE2 3.11Å; L1117-P1140 HydrophobicContact CD2-CG 3.91Å
1118	P	79.9	Confident	79.6	Confident	41 Å²	41	78.4 Å²	78.4	27%	0.266	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-57.5	152.1	170.3	-22.2	32.9	0	0	0	112	G1120 Y1121 P1140 L1141	P1118-G1120 PolarHBondContact O-N 3.21Å; P1118-Y1121 HydrophobicContact CB-CD2 4.41Å; P1118-Y1121 PolarHBondContact O-N 3.16Å; P1118-Y1121 VanDerWaalsContact O-N 3.11Å; P1118-P1140 HydrophobicContact CG-CB 4.27Å; P1118-L1141 HydrophobicContact CG-CD1 3.98Å; P1118-L1141 HydrophobicContact CG-CD2 3.76Å; P1118-L1141 HydrophobicContact CG-CG 3.65Å
1119	A	75.6	Confident	79.4	Confident	109 Å²	109	78.5 Å²	78.5	90%	0.901	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	125.9	177.2	0	0	0	0	0	111.1
1120	G	76.9	Confident	79.4	Confident	42 Å²	42	78.1 Å²	78.1	43%	0.433	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.8	5	-178	0	0	0	0	0	115.7	P1118 N1130 F1131	P1118-G1120 PolarHBondContact O-N 3.21Å; G1120-N1130 CarbonylContact O-C 3.57Å; G1120-N1130 WeakPolarHBondContact O-CA 3.46Å; G1120-F1131 PolarHBondContact O-N 3.33Å
1121	Y	82.8	Confident	79.1	Confident	85 Å²	85	81.8 Å²	81.8	33%	0.333	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	143.1	171.5	-77.1	-99.3	0	0	0	111.6	P1118 V1129 N1130 P1140	P1118-Y1121 HydrophobicContact CB-CD2 4.41Å; P1118-Y1121 PolarHBondContact O-N 3.16Å; P1118-Y1121 VanDerWaalsContact O-N 3.11Å; Y1121-V1129 WeakPolarHBondContact CA-O 3.43Å; Y1121-N1130 HydrophobicContact CD1-CB 3.86Å; Y1121-N1130 HydrophobicContact CD2-CB 4.48Å; Y1121-N1130 HydrophobicContact CE1-CB 3.44Å; Y1121-N1130 VanDerWaalsContact CE1-CB 3.44Å; Y1121-N1130 HydrophobicContact CE2-CB 4.09Å; Y1121-N1130 HydrophobicContact CG-CB 4.38Å; Y1121-P1140 HydrophobicContact CD1-CB 3.9Å; Y1121-P1140 HydrophobicContact CD1-CG 3.26Å; Y1121-P1140 HydrophobicContact CD2-CB 4.38Å; Y1121-P1140 HydrophobicContact CD2-CG 4.36Å; Y1121-P1140 HydrophobicContact CE1-CB 3.88Å; Y1121-P1140 HydrophobicContact CE1-CG 3.66Å; Y1121-P1140 HydrophobicContact CE2-CB 4.39Å; Y1121-P1140 HydrophobicContact CG-CB 4.14Å; Y1121-P1140 HydrophobicContact CG-CG 3.65Å
1122	F	80.1	Confident	78.9	Confident	116 Å²	116	81.3 Å²	81.3	51%	0.509	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	152.3	169.9	67.8	-83.5	0	0	0	110.9	N1124 V1129	F1122-N1124 HydrophobicContact CE2-CB 4.26Å; F1122-V1129 HydrophobicContact CE1-CB 4.12Å; F1122-V1129 HydrophobicContact CE1-CG1 4.29Å; F1122-V1129 HydrophobicContact CE2-CB 4.35Å; F1122-V1129 HydrophobicContact CZ-CB 3.98Å; F1122-V1129 HydrophobicContact CZ-CG1 4.18Å; F1122-V1129 PolarHBondContact N-O 2.87Å; F1122-V1129 PolarHBondContact O-N 3Å
1123	Y	81.7	Confident	78.5	Confident	106 Å²	106	79.3 Å²	79.3	42%	0.416	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	123.5	176.6	-175.1	-114.3	0	0	0	109.6	G1125 Q1127 F1128	Y1123-G1125 VanDerWaalsContact C-N 3.32Å; Y1123-G1125 VanDerWaalsContact CE1-CA 3.48Å; Y1123-G1125 PolarHBondContact O-N 3.11Å; Y1123-Q1127 VanDerWaalsContact CD2-O 3.31Å; Y1123-Q1127 WeakPolarHBondContact CD2-O 3.45Å; Y1123-F1128 AromaticContact CD2-CD1 3.63Å; Y1123-F1128 HydrophobicContact CD2-CD1 3.63Å; Y1123-F1128 HydrophobicContact CD2-CD2 4.05Å; Y1123-F1128 AromaticContact CD2-CE1 3.51Å; Y1123-F1128 HydrophobicContact CD2-CE1 3.51Å; Y1123-F1128 AromaticContact CD2-CE2 3.92Å; Y1123-F1128 HydrophobicContact CD2-CE2 3.92Å; Y1123-F1128 AromaticContact CD2-CG 3.91Å; Y1123-F1128 HydrophobicContact CD2-CG 3.91Å; Y1123-F1128 AromaticContact CD2-CZ 3.66Å; Y1123-F1128 HydrophobicContact CD2-CZ 3.66Å; Y1123-F1128 HydrophobicContact CE2-CD2 4.22Å; Y1123-F1128 HydrophobicContact CE2-CE1 4.22Å; Y1123-F1128 AromaticContact CE2-CE2 3.88Å; Y1123-F1128 HydrophobicContact CE2-CE2 3.88Å; Y1123-F1128 AromaticContact CE2-CZ 3.89Å; Y1123-F1128 HydrophobicContact CE2-CZ 3.89Å; Y1123-F1128 HydrophobicContact CG-CD1 4.26Å; Y1123-F1128 AromaticContact CG-CE1 4Å; Y1123-F1128 HydrophobicContact CG-CE1 4Å; Y1123-F1128 HydrophobicContact CG-CZ 4.4Å
1124	N	76.4	Confident	78.6	Confident	73 Å²	73	81.2 Å²	81.2	39%	0.39	46%	0.455	S	S	.	.			trans	-91.6	10.6	-174.5	70.7	9.5	0	0	0	113.8	F1122 T1126 Q1127 V1129	F1122-N1124 HydrophobicContact CE2-CB 4.26Å; N1124-T1126 PolarHBondContact OD1-N 2.97Å; N1124-T1126 PolarHBondContact OD1-OG1 3.11Å; N1124-Q1127 PolarHBondContact N-O 3.31Å; N1124-Q1127 VanDerWaalsContact N-O 3.16Å; N1124-Q1127 PolarHBondContact OD1-N 3.34Å; N1124-Q1127 PolarHBondContact OD1-O 3.33Å; N1124-V1129 HydrophobicContact CB-CG2 4.43Å; N1124-V1129 WeakPolarHBondContact ND2-CG2 3.42Å
1125	G	73.2	Confident	78.9	Confident	51 Å²	51	80.7 Å²	80.7	53%	0.526	45%	0.447	S	S	.	.	S	Bend	trans	91.2	-6.8	-175.9	0	0	0	0	0	114.8	Y1123	Y1123-G1125 VanDerWaalsContact C-N 3.32Å; Y1123-G1125 VanDerWaalsContact CE1-CA 3.48Å; Y1123-G1125 PolarHBondContact O-N 3.11Å
1126	T	74.9	Confident	78.9	Confident	110 Å²	110	80.2 Å²	80.2	68%	0.675	45%	0.449	S	S	*	.	S	Bend	trans	-135.1	-43	174.2	50.4	0	0	0	0	112.8	N1124	N1124-T1126 PolarHBondContact OD1-N 2.97Å; N1124-T1126 PolarHBondContact OD1-OG1 3.11Å
1127	Q	80.6	Confident	78.9	Confident	55 Å²	55	79.7 Å²	79.7	26%	0.257	44%	0.44	S	S	.	.	S	Bend	trans	-135.9	160.1	-177.9	-69.1	176.9	-35	0	0	111.7	Y1123 N1124 D1137	Y1123-Q1127 VanDerWaalsContact CD2-O 3.31Å; Y1123-Q1127 WeakPolarHBondContact CD2-O 3.45Å; N1124-Q1127 PolarHBondContact N-O 3.31Å; N1124-Q1127 VanDerWaalsContact N-O 3.16Å; N1124-Q1127 PolarHBondContact OD1-N 3.34Å; N1124-Q1127 PolarHBondContact OD1-O 3.33Å; Q1127-D1137 PolarHBondContact NE2-OD1 3.35Å
1128	F	82.9	Confident	78.9	Confident	4 Å²	4	81.3 Å²	81.3	2%	0.018	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	130.5	173.1	-61.4	-86	0	0	0	109.5	H1109 H1113 L1117 Y1123 K1135 T1136 F1138 H1139 P1140	H1109-F1128 AromaticContact CE1-CE2 3.57Å; H1109-F1128 AromaticContact NE2-CE2 3.95Å; H1113-F1128 HydrophobicContact CB-CZ 4.28Å; L1117-F1128 HydrophobicContact CD1-CD1 4.25Å; L1117-F1128 HydrophobicContact CD1-CE1 4.49Å; L1117-F1128 HydrophobicContact CD2-CD1 3.48Å; L1117-F1128 VanDerWaalsContact CD2-CD1 3.48Å; L1117-F1128 HydrophobicContact CD2-CE1 3.7Å; L1117-F1128 HydrophobicContact CG-CD1 4.48Å; Y1123-F1128 AromaticContact CD2-CD1 3.63Å; Y1123-F1128 HydrophobicContact CD2-CD1 3.63Å; Y1123-F1128 HydrophobicContact CD2-CD2 4.05Å; Y1123-F1128 AromaticContact CD2-CE1 3.51Å; Y1123-F1128 HydrophobicContact CD2-CE1 3.51Å; Y1123-F1128 AromaticContact CD2-CE2 3.92Å; Y1123-F1128 HydrophobicContact CD2-CE2 3.92Å; Y1123-F1128 AromaticContact CD2-CG 3.91Å; Y1123-F1128 HydrophobicContact CD2-CG 3.91Å; Y1123-F1128 AromaticContact CD2-CZ 3.66Å; Y1123-F1128 HydrophobicContact CD2-CZ 3.66Å; Y1123-F1128 HydrophobicContact CE2-CD2 4.22Å; Y1123-F1128 HydrophobicContact CE2-CE1 4.22Å; Y1123-F1128 AromaticContact CE2-CE2 3.88Å; Y1123-F1128 HydrophobicContact CE2-CE2 3.88Å; Y1123-F1128 AromaticContact CE2-CZ 3.89Å; Y1123-F1128 HydrophobicContact CE2-CZ 3.89Å; Y1123-F1128 HydrophobicContact CG-CD1 4.26Å; Y1123-F1128 AromaticContact CG-CE1 4Å; Y1123-F1128 HydrophobicContact CG-CE1 4Å; Y1123-F1128 HydrophobicContact CG-CZ 4.4Å; F1128-K1135 CarbonylContact O-C 3.54Å; F1128-K1135 WeakPolarHBondContact O-CA 3.39Å; F1128-T1136 PolarHBondContact N-O 3.28Å; F1128-T1136 PolarHBondContact O-N 3.03Å; F1128-F1138 VanDerWaalsContact CD2-O 3.29Å; F1128-F1138 WeakPolarHBondContact CD2-O 3.42Å; F1128-H1139 AromaticContact CE1-CD2 3.72Å; F1128-H1139 HydrophobicContact CE2-CB 4.39Å; F1128-H1139 HydrophobicContact CZ-CB 4.27Å; F1128-H1139 AromaticContact CZ-CD2 3.99Å; F1128-P1140 HydrophobicContact CB-CG 4.29Å
1129	V	79.4	Confident	79	Confident	12 Å²	12	79.5 Å²	79.5	7%	0.073	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	131.1	-175	-167.5	0	0	0	0	110.1	Y1121 F1122 N1124 D1134 K1135	Y1121-V1129 WeakPolarHBondContact CA-O 3.43Å; F1122-V1129 HydrophobicContact CE1-CB 4.12Å; F1122-V1129 HydrophobicContact CE1-CG1 4.29Å; F1122-V1129 HydrophobicContact CE2-CB 4.35Å; F1122-V1129 HydrophobicContact CZ-CB 3.98Å; F1122-V1129 HydrophobicContact CZ-CG1 4.18Å; F1122-V1129 PolarHBondContact N-O 2.87Å; F1122-V1129 PolarHBondContact O-N 3Å; N1124-V1129 HydrophobicContact CB-CG2 4.43Å; N1124-V1129 WeakPolarHBondContact ND2-CG2 3.42Å; V1129-D1134 WeakPolarHBondContact CA-O 3.37Å; V1129-K1135 HydrophobicContact CG1-CG 4.45Å; V1129-K1135 HydrophobicContact CG2-CG 4.14Å
1130	N	82	Confident	79.3	Confident	18 Å²	18	76.2 Å²	76.2	10%	0.096	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	170.6	175.6	77.6	8	0	0	0	111.9	G1120 Y1121 F1132 G1133 D1134	G1120-N1130 CarbonylContact O-C 3.57Å; G1120-N1130 WeakPolarHBondContact O-CA 3.46Å; Y1121-N1130 HydrophobicContact CD1-CB 3.86Å; Y1121-N1130 HydrophobicContact CD2-CB 4.48Å; Y1121-N1130 HydrophobicContact CE1-CB 3.44Å; Y1121-N1130 VanDerWaalsContact CE1-CB 3.44Å; Y1121-N1130 HydrophobicContact CE2-CB 4.09Å; Y1121-N1130 HydrophobicContact CG-CB 4.38Å; N1130-F1132 PolarHBondContact O-N 3.44Å; N1130-F1132 VanDerWaalsContact O-N 3.14Å; N1130-F1132 WeakPolarHBondContact OD1-CA 3.31Å; N1130-F1132 PolarHBondContact OD1-N 3.29Å; N1130-G1133 PolarHBondContact O-N 3.27Å; N1130-G1133 PolarHBondContact OD1-N 3.35Å; N1130-D1134 PolarHBondContact N-O 3.23Å; N1130-D1134 VanDerWaalsContact N-O 3.07Å; N1130-D1134 WeakPolarHBondContact ND2-CB 3.29Å; N1130-D1134 PolarHBondContact ND2-OD2 3.37Å; N1130-D1134 PolarHBondContact OD1-N 2.93Å
1131	F	76.4	Confident	79.6	Confident	171 Å²	171	76.8 Å²	76.8	75%	0.75	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-23	178.3	-173.6	-96.4	0	0	0	114.1	G1120	G1120-F1131 PolarHBondContact O-N 3.33Å
1132	F	76.9	Confident	79.6	Confident	178 Å²	178	73.2 Å²	73.2	78%	0.781	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-4.7	178.3	-58.6	-75.6	0	0	0	113.5	N1130	N1130-F1132 PolarHBondContact O-N 3.44Å; N1130-F1132 VanDerWaalsContact O-N 3.14Å; N1130-F1132 WeakPolarHBondContact OD1-CA 3.31Å; N1130-F1132 PolarHBondContact OD1-N 3.29Å
1133	G	73.9	Confident	79.5	Confident	43 Å²	43	71.5 Å²	71.5	44%	0.443	38%	0.377	S	S	.	.			trans	93.4	3.2	178.1	0	0	0	0	0	115.9	N1130	N1130-G1133 PolarHBondContact O-N 3.27Å; N1130-G1133 PolarHBondContact OD1-N 3.35Å
1134	D	79.4	Confident	79.5	Confident	101 Å²	101	71.3 Å²	71.3	54%	0.54	38%	0.38	S	S	.	.			trans	-71.7	138.8	176.5	-53.8	-49.8	0	0	0	110.7	V1129 N1130	V1129-D1134 WeakPolarHBondContact CA-O 3.37Å; N1130-D1134 PolarHBondContact N-O 3.23Å; N1130-D1134 VanDerWaalsContact N-O 3.07Å; N1130-D1134 WeakPolarHBondContact ND2-CB 3.29Å; N1130-D1134 PolarHBondContact ND2-OD2 3.37Å; N1130-D1134 PolarHBondContact OD1-N 2.93Å
1135	K	81.4	Confident	79.9	Confident	137 Å²	137	68.1 Å²	68.1	60%	0.596	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.7	136	-174.9	-53.7	-177.2	-176.4	174.8	0	111.2	F1128 V1129	F1128-K1135 CarbonylContact O-C 3.54Å; F1128-K1135 WeakPolarHBondContact O-CA 3.39Å; V1129-K1135 HydrophobicContact CG1-CG 4.45Å; V1129-K1135 HydrophobicContact CG2-CG 4.14Å
1136	T	81.1	Confident	80.3	Confident	61 Å²	61	66.4 Å²	66.4	37%	0.374	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	141.5	174.1	61.5	0	0	0	0	111.4	F1128 F1138	F1128-T1136 PolarHBondContact N-O 3.28Å; F1128-T1136 PolarHBondContact O-N 3.03Å; T1136-F1138 VanDerWaalsContact C-N 3.32Å; T1136-F1138 PolarHBondContact OG1-O 3.26Å
1137	D	80.2	Confident	80.7	Confident	108 Å²	108	65 Å²	65	58%	0.578	33%	0.33	S	S	*	.	S	Bend	trans	-76.4	-22.1	177.3	-65	-34.2	0	0	0	112.6	Q1127	Q1127-D1137 PolarHBondContact NE2-OD1 3.35Å
1138	F	80.8	Confident	80.9	Confident	86 Å²	86	65.1 Å²	65.1	38%	0.377	33%	0.332	S	S	.	.	S	Bend	trans	-105.1	157.8	177.6	-63.6	-75.6	0	0	0	111.7	I1105 H1109 F1128 T1136 M1142	I1105-F1138 HydrophobicContact CG2-CE1 4.26Å; H1109-F1138 HydrophobicContact CB-CD1 4Å; H1109-F1138 HydrophobicContact CB-CE1 4.36Å; H1109-F1138 AromaticContact CG-CD1 3.75Å; F1128-F1138 VanDerWaalsContact CD2-O 3.29Å; F1128-F1138 WeakPolarHBondContact CD2-O 3.42Å; T1136-F1138 VanDerWaalsContact C-N 3.32Å; T1136-F1138 PolarHBondContact OG1-O 3.26Å; F1138-M1142 HydrophobicContact CB-CB 4.1Å; F1138-M1142 HydrophobicContact CB-CG 4.03Å; F1138-M1142 HydrophobicContact CD1-CE 4.44Å; F1138-M1142 HydrophobicContact CD1-CG 4.46Å; F1138-M1142 HydrophobicContact CD1-SD 4.43Å; F1138-M1142 HydrophobicContact CG-CG 4.41Å
1139	H	83.3	Confident	81.1	Confident	4 Å²	4	68.6 Å²	68.6	2%	0.019	35%	0.346	C	S	.	.			trans	-59.1	141.7	178	-171.4	-90.4	0	0	0	109.9	H1109 E1115 L1117 F1128 L1141 M1142 F1145	H1109-H1139 PolarHBondContact CE1-N 3.37Å; H1109-H1139 PolarHBondContact ND1-N 3.48Å; E1115-H1139 PolarHBondContact O-NE2 2.76Å; L1117-H1139 VanDerWaalsContact CD2-NE2 3.34Å; L1117-H1139 WeakPolarHBondContact CD2-NE2 3.11Å; F1128-H1139 AromaticContact CE1-CD2 3.72Å; F1128-H1139 HydrophobicContact CE2-CB 4.39Å; F1128-H1139 HydrophobicContact CZ-CB 4.27Å; F1128-H1139 AromaticContact CZ-CD2 3.99Å; H1139-L1141 PolarHBondContact ND1-N 3.36Å; H1139-L1141 VanDerWaalsContact ND1-N 3.16Å; H1139-L1141 PolarHBondContact O-N 2.99Å; H1139-L1141 VanDerWaalsContact O-N 3.08Å; H1139-M1142 WeakPolarHBondContact O-CB 3.27Å; H1139-M1142 PolarHBondContact O-N 3.19Å; H1139-F1145 HydrophobicContact CB-CE2 4.01Å; H1139-F1145 AromaticContact CE1-CE2 3.8Å; H1139-F1145 AromaticContact CE1-CZ 3.68Å; H1139-F1145 AromaticContact CG-CE2 3.63Å; H1139-F1145 AromaticContact ND1-CE2 3.23Å; H1139-F1145 WeakPolarHBondContact ND1-CE2 3.34Å; H1139-F1145 AromaticContact ND1-CZ 3.54Å
1140	P	80.5	Confident	81.3	Confident	39 Å²	39	68.8 Å²	68.8	25%	0.253	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-27.3	-177	-25.7	34.9	0	0	0	114.3	L1117 P1118 Y1121 F1128	L1117-P1140 HydrophobicContact CD2-CG 3.91Å; P1118-P1140 HydrophobicContact CG-CB 4.27Å; Y1121-P1140 HydrophobicContact CD1-CB 3.9Å; Y1121-P1140 HydrophobicContact CD1-CG 3.26Å; Y1121-P1140 HydrophobicContact CD2-CB 4.38Å; Y1121-P1140 HydrophobicContact CD2-CG 4.36Å; Y1121-P1140 HydrophobicContact CE1-CB 3.88Å; Y1121-P1140 HydrophobicContact CE1-CG 3.66Å; Y1121-P1140 HydrophobicContact CE2-CB 4.39Å; Y1121-P1140 HydrophobicContact CG-CB 4.14Å; Y1121-P1140 HydrophobicContact CG-CG 3.65Å; F1128-P1140 HydrophobicContact CB-CG 4.29Å
1141	L	83.1	Confident	81.5	Confident	55 Å²	55	74.6 Å²	74.6	29%	0.288	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	17.7	174.9	-59.2	178	0	0	0	113.9	P1118 H1139 D1143 Q1144 F1145	P1118-L1141 HydrophobicContact CG-CD1 3.98Å; P1118-L1141 HydrophobicContact CG-CD2 3.76Å; P1118-L1141 HydrophobicContact CG-CG 3.65Å; H1139-L1141 PolarHBondContact ND1-N 3.36Å; H1139-L1141 VanDerWaalsContact ND1-N 3.16Å; H1139-L1141 PolarHBondContact O-N 2.99Å; H1139-L1141 VanDerWaalsContact O-N 3.08Å; L1141-D1143 PolarHBondContact O-N 3.15Å; L1141-D1143 VanDerWaalsContact O-N 3.17Å; L1141-Q1144 HydrophobicContact CB-CB 4.42Å; L1141-Q1144 WeakPolarHBondContact O-CB 3.34Å; L1141-Q1144 PolarHBondContact O-N 2.61Å; L1141-F1145 HydrophobicContact CB-CD1 4.46Å; L1141-F1145 HydrophobicContact CB-CE1 3.97Å; L1141-F1145 HydrophobicContact CB-CE2 4.3Å; L1141-F1145 HydrophobicContact CB-CZ 3.89Å; L1141-F1145 WeakPolarHBondContact O-CG 3.37Å; L1141-F1145 PolarHBondContact O-N 3.26Å
1142	M	82.7	Confident	81.9	Confident	10 Å²	10	70.1 Å²	70.1	5%	0.049	36%	0.355	C	S	.	.	H	α-helix	trans	-56.2	-36.1	-177.3	-169.6	64.1	-170.8	0	0	112.5	I1105 I1108 H1109 F1138 H1139 Q1144 F1145 M1146	I1105-M1142 HydrophobicContact CB-CE 4.47Å; I1105-M1142 HydrophobicContact CG2-CE 3.58Å; I1105-M1142 WeakPolarHBondContact O-CE 3.34Å; I1108-M1142 HydrophobicContact CB-CE 4.02Å; I1108-M1142 HydrophobicContact CG2-CE 3.92Å; I1108-M1142 HydrophobicContact CG2-SD 4.49Å; H1109-M1142 HydrophobicContact CB-CE 3.75Å; H1109-M1142 HydrophobicContact CB-SD 3.82Å; F1138-M1142 HydrophobicContact CB-CB 4.1Å; F1138-M1142 HydrophobicContact CB-CG 4.03Å; F1138-M1142 HydrophobicContact CD1-CE 4.44Å; F1138-M1142 HydrophobicContact CD1-CG 4.46Å; F1138-M1142 HydrophobicContact CD1-SD 4.43Å; F1138-M1142 HydrophobicContact CG-CG 4.41Å; H1139-M1142 WeakPolarHBondContact O-CB 3.27Å; H1139-M1142 PolarHBondContact O-N 3.19Å; M1142-Q1144 VanDerWaalsContact C-N 3.32Å; M1142-Q1144 PolarHBondContact O-N 2.62Å; M1142-F1145 PolarHBondContact O-N 3.28Å; M1142-F1145 HydrophobicContact SD-CD2 4.42Å; M1142-M1146 HydrophobicContact CE-CG 4.12Å; M1142-M1146 HydrophobicContact CG-CE 4.27Å; M1142-M1146 WeakPolarHBondContact O-CB 3.32Å; M1142-M1146 VanDerWaalsContact O-CG 3.31Å; M1142-M1146 WeakPolarHBondContact O-CG 3.37Å; M1142-M1146 PolarHBondContact O-N 3Å
1143	D	78.6	Confident	82.2	Confident	79 Å²	79	62.3 Å²	62.3	42%	0.422	32%	0.323	S	S	.	.	H	α-helix	trans	-62.2	-38.9	175.9	-84.7	16.6	0	0	0	112.9	R1097 L1141 M1146 N1147	R1097-D1143 IonicContact CZ-OD1 2.78Å; R1097-D1143 IonicContact CZ-OD2 3.61Å; R1097-D1143 IonicContact NH1-OD1 3.91Å; R1097-D1143 IonicContact NH1-OD2 3.9Å; R1097-D1143 PolarHBondContact NH1-OD2 2.91Å; R1097-D1143 IonicContact NH2-OD1 3.97Å; R1097-D1143 PolarHBondContact NH2-OD1 3.11Å; R1097-D1143 IonicContact NH2-OD2 2.68Å; R1097-D1143 PolarHBondContact NH2-OD2 3.48Å; L1141-D1143 PolarHBondContact O-N 3.15Å; L1141-D1143 VanDerWaalsContact O-N 3.17Å; D1143-M1146 HydrophobicContact CB-CE 4.49Å; D1143-M1146 WeakPolarHBondContact OD1-CE 3.07Å; D1143-N1147 VanDerWaalsContact O-CG 3.24Å; D1143-N1147 PolarHBondContact O-N 2.86Å; D1143-N1147 VanDerWaalsContact O-N 3.14Å; D1143-N1147 PolarHBondContact O-ND2 2.93Å
1144	Q	80.8	Confident	82.9	Confident	102 Å²	102	61.5 Å²	61.5	48%	0.477	31%	0.309	S	S	.	.	H	α-helix	trans	-71	-41.3	175.5	-167.1	173.2	3.4	0	0	110.7	L1141 M1142 M1146 N1147 D1148	L1141-Q1144 HydrophobicContact CB-CB 4.42Å; L1141-Q1144 WeakPolarHBondContact O-CB 3.34Å; L1141-Q1144 PolarHBondContact O-N 2.61Å; M1142-Q1144 VanDerWaalsContact C-N 3.32Å; M1142-Q1144 PolarHBondContact O-N 2.62Å; Q1144-M1146 VanDerWaalsContact C-N 3.32Å; Q1144-M1146 PolarHBondContact O-N 2.9Å; Q1144-N1147 WeakPolarHBondContact O-CB 3.44Å; Q1144-N1147 PolarHBondContact O-N 3.21Å; Q1144-N1147 VanDerWaalsContact O-N 3.12Å; Q1144-D1148 PolarHBondContact O-N 2.72Å
1145	F	85.4	Confident	83.2	Confident	6 Å²	6	63.6 Å²	63.6	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-64.4	-35.8	177	-58	-21.2	0	0	0	113.1	I1108 R1112 E1115 H1139 L1141 M1142 Y1149	I1108-F1145 HydrophobicContact CG2-CB 3.75Å; R1112-F1145 HydrophobicContact CB-CD2 3.67Å; R1112-F1145 HydrophobicContact CB-CE2 3.61Å; R1112-F1145 HydrophobicContact CB-CG 4.16Å; R1112-F1145 HydrophobicContact CB-CZ 4.07Å; E1115-F1145 HydrophobicContact CB-CZ 4.08Å; E1115-F1145 HydrophobicContact CG-CZ 4.49Å; E1115-F1145 WeakPolarHBondContact OE2-CE1 3.3Å; E1115-F1145 VanDerWaalsContact OE2-CZ 3.23Å; E1115-F1145 WeakPolarHBondContact OE2-CZ 3.33Å; H1139-F1145 HydrophobicContact CB-CE2 4.01Å; H1139-F1145 AromaticContact CE1-CE2 3.8Å; H1139-F1145 AromaticContact CE1-CZ 3.68Å; H1139-F1145 AromaticContact CG-CE2 3.63Å; H1139-F1145 AromaticContact ND1-CE2 3.23Å; H1139-F1145 WeakPolarHBondContact ND1-CE2 3.34Å; H1139-F1145 AromaticContact ND1-CZ 3.54Å; L1141-F1145 HydrophobicContact CB-CD1 4.46Å; L1141-F1145 HydrophobicContact CB-CE1 3.97Å; L1141-F1145 HydrophobicContact CB-CE2 4.3Å; L1141-F1145 HydrophobicContact CB-CZ 3.89Å; L1141-F1145 WeakPolarHBondContact O-CG 3.37Å; L1141-F1145 PolarHBondContact O-N 3.26Å; M1142-F1145 PolarHBondContact O-N 3.28Å; M1142-F1145 HydrophobicContact SD-CD2 4.42Å; F1145-Y1149 VanDerWaalsContact O-CB 3.31Å; F1145-Y1149 WeakPolarHBondContact O-CB 3.42Å; F1145-Y1149 PolarHBondContact O-N 2.77Å
1146	M	82.3	Confident	83.4	Confident	15 Å²	15	63.3 Å²	63.3	7%	0.074	31%	0.31	C	S	.	.	H	α-helix	trans	-66.4	-39.6	172.6	-73.1	-174.5	-63.9	0	0	111.5	L1100 I1105 I1108 M1142 D1143 Q1144 V1150	L1100-M1146 HydrophobicContact CD1-CB 3.94Å; L1100-M1146 HydrophobicContact CD1-CG 4.03Å; L1100-M1146 HydrophobicContact CD1-SD 4.29Å; I1105-M1146 HydrophobicContact CD1-SD 4.41Å; I1105-M1146 HydrophobicContact CG1-SD 4.16Å; I1105-M1146 HydrophobicContact CG2-SD 4.29Å; I1108-M1146 HydrophobicContact CD1-CG 4.47Å; M1142-M1146 HydrophobicContact CE-CG 4.12Å; M1142-M1146 HydrophobicContact CG-CE 4.27Å; M1142-M1146 WeakPolarHBondContact O-CB 3.32Å; M1142-M1146 VanDerWaalsContact O-CG 3.31Å; M1142-M1146 WeakPolarHBondContact O-CG 3.37Å; M1142-M1146 PolarHBondContact O-N 3Å; D1143-M1146 HydrophobicContact CB-CE 4.49Å; D1143-M1146 WeakPolarHBondContact OD1-CE 3.07Å; Q1144-M1146 VanDerWaalsContact C-N 3.32Å; Q1144-M1146 PolarHBondContact O-N 2.9Å; M1146-V1150 WeakPolarHBondContact O-CB 3.49Å; M1146-V1150 WeakPolarHBondContact O-CG2 3.13Å; M1146-V1150 PolarHBondContact O-N 3.2Å
1147	N	83.6	Confident	83.6	Confident	81 Å²	81	61.2 Å²	61.2	43%	0.433	30%	0.296	S	S	.	.	H	α-helix	trans	-66.6	-46.9	176.3	-70.3	-18.6	0	0	0	111.8	D1143 Q1144 Y1149 V1150 E1151	D1143-N1147 VanDerWaalsContact O-CG 3.24Å; D1143-N1147 PolarHBondContact O-N 2.86Å; D1143-N1147 VanDerWaalsContact O-N 3.14Å; D1143-N1147 PolarHBondContact O-ND2 2.93Å; Q1144-N1147 WeakPolarHBondContact O-CB 3.44Å; Q1144-N1147 PolarHBondContact O-N 3.21Å; Q1144-N1147 VanDerWaalsContact O-N 3.12Å; N1147-Y1149 VanDerWaalsContact C-N 3.3Å; N1147-Y1149 PolarHBondContact O-N 2.74Å; N1147-V1150 PolarHBondContact O-N 3.17Å; N1147-V1150 VanDerWaalsContact O-N 3.16Å; N1147-E1151 WeakPolarHBondContact O-CB 3.2Å; N1147-E1151 PolarHBondContact O-N 2.93Å
1148	D	84.1	Confident	83.8	Confident	57 Å²	57	60.2 Å²	60.2	31%	0.305	29%	0.288	S	S	.	.	H	α-helix	trans	-58.7	-42.4	176.4	-68	-1.5	0	0	0	111.4	R1112 Q1144 E1151 E1152	R1112-D1148 IonicContact CZ-OD2 3.93Å; R1112-D1148 IonicContact NH1-OD2 2.81Å; R1112-D1148 PolarHBondContact NH1-OD2 3.09Å; Q1144-D1148 PolarHBondContact O-N 2.72Å; D1148-E1151 PolarHBondContact O-N 2.87Å; D1148-E1152 WeakPolarHBondContact O-CB 3.46Å; D1148-E1152 PolarHBondContact O-N 3.29Å
1149	Y	86.1	Confident	84.1	Confident	77 Å²	77	62 Å²	62	30%	0.302	30%	0.295	S	S	.	.	H	α-helix	trans	-65.9	-41.2	176.9	176.6	-96.3	0	0	0	112	L1100 E1104 I1108 F1145 N1147 E1151 A1153	L1100-Y1149 HydrophobicContact CD2-CD1 3.71Å; L1100-Y1149 HydrophobicContact CD2-CE1 3.62Å; E1104-Y1149 PolarHBondContact OE1-OH 2.94Å; I1108-Y1149 HydrophobicContact CD1-CD1 3.49Å; I1108-Y1149 VanDerWaalsContact CD1-CD1 3.49Å; I1108-Y1149 HydrophobicContact CD1-CD2 4.19Å; I1108-Y1149 HydrophobicContact CD1-CE1 4.02Å; I1108-Y1149 HydrophobicContact CD1-CG 3.56Å; I1108-Y1149 HydrophobicContact CG1-CD1 4.18Å; I1108-Y1149 HydrophobicContact CG1-CD2 3.96Å; I1108-Y1149 HydrophobicContact CG1-CE2 4.41Å; I1108-Y1149 HydrophobicContact CG1-CG 3.81Å; F1145-Y1149 VanDerWaalsContact O-CB 3.31Å; F1145-Y1149 WeakPolarHBondContact O-CB 3.42Å; F1145-Y1149 PolarHBondContact O-N 2.77Å; N1147-Y1149 VanDerWaalsContact C-N 3.3Å; N1147-Y1149 PolarHBondContact O-N 2.74Å; Y1149-E1151 VanDerWaalsContact C-N 3.35Å; Y1149-A1153 WeakPolarHBondContact O-CB 3.28Å; Y1149-A1153 PolarHBondContact O-N 2.87Å
1150	V	85.6	Confident	84.1	Confident	17 Å²	17	65.2 Å²	65.2	10%	0.103	31%	0.308	C	S	.	.	H	α-helix	trans	-64.4	-42	175.8	167.1	0	0	0	0	110.6	K1095 L1100 M1146 N1147 N1154	K1095-V1150 WeakPolarHBondContact O-CG1 3.4Å; L1100-V1150 HydrophobicContact CD1-CG2 3.89Å; L1100-V1150 HydrophobicContact CD2-CG2 4.06Å; L1100-V1150 HydrophobicContact CG-CG2 4.12Å; M1146-V1150 WeakPolarHBondContact O-CB 3.49Å; M1146-V1150 WeakPolarHBondContact O-CG2 3.13Å; M1146-V1150 PolarHBondContact O-N 3.2Å; N1147-V1150 PolarHBondContact O-N 3.17Å; N1147-V1150 VanDerWaalsContact O-N 3.16Å; V1150-N1154 WeakPolarHBondContact CG1-ND2 3.49Å; V1150-N1154 WeakPolarHBondContact O-CB 3.43Å; V1150-N1154 PolarHBondContact O-N 3.19Å; V1150-N1154 PolarHBondContact O-ND2 3.22Å
1151	E	85.1	Confident	84.3	Confident	140 Å²	140	64.1 Å²	64.1	65%	0.654	30%	0.3	S	S	*	.	H	α-helix	trans	-64.6	-45.5	177.8	-168.5	175	-175.8	0	0	111.6	N1147 D1148 Y1149 N1154 R1155	N1147-E1151 WeakPolarHBondContact O-CB 3.2Å; N1147-E1151 PolarHBondContact O-N 2.93Å; D1148-E1151 PolarHBondContact O-N 2.87Å; Y1149-E1151 VanDerWaalsContact C-N 3.35Å; E1151-N1154 PolarHBondContact O-N 3.47Å; E1151-R1155 WeakPolarHBondContact O-CB 3.39Å; E1151-R1155 PolarHBondContact O-N 3.09Å
1152	E	85	Confident	84.2	Confident	77 Å²	77	67.7 Å²	67.7	36%	0.36	31%	0.31	S	S	.	.	H	α-helix	trans	-62.9	-47.8	175.5	-175.3	60.4	-132.2	0	0	111.9	D1148 N1154 R1155 E1156	D1148-E1152 WeakPolarHBondContact O-CB 3.46Å; D1148-E1152 PolarHBondContact O-N 3.29Å; E1152-N1154 VanDerWaalsContact C-N 3.29Å; E1152-N1154 PolarHBondContact O-N 3.27Å; E1152-R1155 WeakPolarHBondContact O-CB 3.09Å; E1152-R1155 PolarHBondContact O-N 3.07Å; E1152-R1155 IonicContact OE1-CZ 3.24Å; E1152-R1155 VanDerWaalsContact OE1-CZ 3.24Å; E1152-R1155 IonicContact OE1-NE 3.28Å; E1152-R1155 PolarHBondContact OE1-NE 2.91Å; E1152-R1155 IonicContact OE1-NH2 2.62Å; E1152-R1155 PolarHBondContact OE1-NH2 3.38Å; E1152-R1155 IonicContact OE2-CZ 3.06Å; E1152-R1155 IonicContact OE2-NE 3.65Å; E1152-R1155 IonicContact OE2-NH1 3.58Å; E1152-R1155 IonicContact OE2-NH2 2.63Å; E1152-R1155 PolarHBondContact OE2-NH2 3.21Å; E1152-E1156 PolarHBondContact O-N 3.29Å
1153	A	83.7	Confident	84.2	Confident	14 Å²	14	71.8 Å²	71.8	12%	0.116	33%	0.329	C	S	.	.	H	α-helix	trans	-62.8	-38	177.5	0	0	0	0	0	111.5	K1095 Y1149 E1156 I1157	K1095-A1153 HydrophobicContact CD-CB 4.16Å; Y1149-A1153 WeakPolarHBondContact O-CB 3.28Å; Y1149-A1153 PolarHBondContact O-N 2.87Å; A1153-E1156 PolarHBondContact O-N 3.19Å; A1153-I1157 WeakPolarHBondContact O-CB 3.13Å; A1153-I1157 WeakPolarHBondContact O-CD1 3.3Å; A1153-I1157 WeakPolarHBondContact O-CG1 3.31Å; A1153-I1157 PolarHBondContact O-N 3.28Å
1154	N	87.8	Confident	84.2	Confident	25 Å²	25	69.1 Å²	69.1	13%	0.134	31%	0.314	C	S	.	.	H	α-helix	trans	-67.6	-37.6	175.1	-77.4	-17.5	0	0	0	111.9	L1094 K1095 V1150 E1151 E1152 E1156 I1157 E1158	L1094-N1154 WeakPolarHBondContact CA-OD1 3.29Å; L1094-N1154 HydrophobicContact CD2-CB 3.92Å; K1095-N1154 PolarHBondContact N-OD1 3.35Å; K1095-N1154 PolarHBondContact O-ND2 3.44Å; K1095-N1154 PolarHBondContact O-OD1 2.98Å; V1150-N1154 WeakPolarHBondContact CG1-ND2 3.49Å; V1150-N1154 WeakPolarHBondContact O-CB 3.43Å; V1150-N1154 PolarHBondContact O-N 3.19Å; V1150-N1154 PolarHBondContact O-ND2 3.22Å; E1151-N1154 PolarHBondContact O-N 3.47Å; E1152-N1154 VanDerWaalsContact C-N 3.29Å; E1152-N1154 PolarHBondContact O-N 3.27Å; N1154-E1156 VanDerWaalsContact C-N 3.33Å; N1154-E1156 PolarHBondContact O-N 3.08Å; N1154-I1157 PolarHBondContact O-N 2.87Å; N1154-E1158 WeakPolarHBondContact O-CB 2.98Å; N1154-E1158 VanDerWaalsContact O-CG 3.29Å; N1154-E1158 WeakPolarHBondContact O-CG 3.42Å; N1154-E1158 PolarHBondContact O-N 2.77Å
1155	R	86.2	Confident	83.8	Confident	146 Å²	146	69.9 Å²	69.9	55%	0.551	32%	0.318	S	S	*	.	H	α-helix	trans	-61.5	-40.8	173.3	-171.3	176.7	70.8	-175.7	8.3	112.1	E1151 E1152 K1159	E1151-R1155 WeakPolarHBondContact O-CB 3.39Å; E1151-R1155 PolarHBondContact O-N 3.09Å; E1152-R1155 WeakPolarHBondContact O-CB 3.09Å; E1152-R1155 PolarHBondContact O-N 3.07Å; E1152-R1155 IonicContact OE1-CZ 3.24Å; E1152-R1155 VanDerWaalsContact OE1-CZ 3.24Å; E1152-R1155 IonicContact OE1-NE 3.28Å; E1152-R1155 PolarHBondContact OE1-NE 2.91Å; E1152-R1155 IonicContact OE1-NH2 2.62Å; E1152-R1155 PolarHBondContact OE1-NH2 3.38Å; E1152-R1155 IonicContact OE2-CZ 3.06Å; E1152-R1155 IonicContact OE2-NE 3.65Å; E1152-R1155 IonicContact OE2-NH1 3.58Å; E1152-R1155 IonicContact OE2-NH2 2.63Å; E1152-R1155 PolarHBondContact OE2-NH2 3.21Å; R1155-K1159 WeakPolarHBondContact O-CB 3.44Å; R1155-K1159 PolarHBondContact O-N 3.19Å
1156	E	85.1	Confident	83.1	Confident	131 Å²	131	77.4 Å²	77.4	61%	0.612	35%	0.353	S	S	*	.	H	α-helix	trans	-67.3	-40.8	173.1	-69.4	-162.9	148.8	0	0	112.5	E1152 A1153 N1154 K1159 Y1160	E1152-E1156 PolarHBondContact O-N 3.29Å; A1153-E1156 PolarHBondContact O-N 3.19Å; N1154-E1156 VanDerWaalsContact C-N 3.33Å; N1154-E1156 PolarHBondContact O-N 3.08Å; E1156-K1159 PolarHBondContact O-N 3.35Å; E1156-Y1160 WeakPolarHBondContact O-CB 3.43Å; E1156-Y1160 PolarHBondContact O-N 3.14Å
1157	I	86	Confident	82.5	Confident	17 Å²	17	82.7 Å²	82.7	9%	0.087	38%	0.378	C	S	.	.	H	α-helix	trans	-62.6	-43.1	175.5	-73.6	161.8	0	0	0	111	K1092 L1094 K1095 A1153 N1154 Y1160 N1161	K1092-I1157 HydrophobicContact CB-CB 4.47Å; K1092-I1157 HydrophobicContact CB-CG1 4.19Å; K1092-I1157 HydrophobicContact CB-CG2 3.74Å; K1092-I1157 HydrophobicContact CD-CG1 4.45Å; K1092-I1157 VanDerWaalsContact O-CG2 3.24Å; K1092-I1157 WeakPolarHBondContact O-CG2 3.48Å; L1094-I1157 HydrophobicContact CD2-CB 4.46Å; L1094-I1157 HydrophobicContact CD2-CG2 3.92Å; K1095-I1157 HydrophobicContact CG-CD1 4.03Å; A1153-I1157 WeakPolarHBondContact O-CB 3.13Å; A1153-I1157 WeakPolarHBondContact O-CD1 3.3Å; A1153-I1157 WeakPolarHBondContact O-CG1 3.31Å; A1153-I1157 PolarHBondContact O-N 3.28Å; N1154-I1157 PolarHBondContact O-N 2.87Å; I1157-Y1160 PolarHBondContact O-N 3.37Å; I1157-N1161 WeakPolarHBondContact O-CB 3.09Å; I1157-N1161 PolarHBondContact O-N 2.62Å; I1157-N1161 PolarHBondContact O-ND2 3.3Å
1158	E	85.1	Confident	81.5	Confident	86 Å²	86	86.9 Å²	86.9	40%	0.402	39%	0.394	S	S	.	.	H	α-helix	trans	-66.1	-40	175.7	-75.8	178.2	-178.4	0	0	112.1	L1094 N1154 N1161 R1162	L1094-E1158 HydrophobicContact CD2-CG 3.97Å; N1154-E1158 WeakPolarHBondContact O-CB 2.98Å; N1154-E1158 VanDerWaalsContact O-CG 3.29Å; N1154-E1158 WeakPolarHBondContact O-CG 3.42Å; N1154-E1158 PolarHBondContact O-N 2.77Å; E1158-N1161 PolarHBondContact O-N 3.08Å; E1158-R1162 WeakPolarHBondContact O-CB 3.35Å; E1158-R1162 WeakPolarHBondContact O-CG 3.41Å; E1158-R1162 PolarHBondContact O-N 3.03Å
1159	K	85.4	Confident	80.6	Confident	123 Å²	123	88.7 Å²	88.7	54%	0.535	40%	0.398	S	S	.	.	H	α-helix	trans	-59.9	-49.2	173	-174.3	-178.7	175.1	-173.5	0	110.7	R1155 E1156 N1161 R1162 E1163	R1155-K1159 WeakPolarHBondContact O-CB 3.44Å; R1155-K1159 PolarHBondContact O-N 3.19Å; E1156-K1159 PolarHBondContact O-N 3.35Å; K1159-N1161 PolarHBondContact O-N 3.48Å; K1159-R1162 PolarHBondContact O-N 3.41Å; K1159-E1163 WeakPolarHBondContact CE-OE1 3.43Å; K1159-E1163 WeakPolarHBondContact O-CG 3.48Å; K1159-E1163 PolarHBondContact O-N 3.17Å
1160	Y	84.2	Confident	79.7	Confident	72 Å²	72	88 Å²	88	28%	0.282	40%	0.397	S	S	.	.	H	α-helix	trans	-60	-44.2	175.4	173.4	-96.8	0	0	0	112.5	K1092 E1156 I1157 R1162 E1163 L1164	K1092-Y1160 HydrophobicContact CB-CD1 4.26Å; K1092-Y1160 HydrophobicContact CB-CE1 4.46Å; K1092-Y1160 HydrophobicContact CD-CD1 3.62Å; K1092-Y1160 HydrophobicContact CD-CE1 3.78Å; K1092-Y1160 HydrophobicContact CD-CG 4.21Å; K1092-Y1160 HydrophobicContact CG-CD1 3.85Å; K1092-Y1160 HydrophobicContact CG-CE1 3.71Å; E1156-Y1160 WeakPolarHBondContact O-CB 3.43Å; E1156-Y1160 PolarHBondContact O-N 3.14Å; I1157-Y1160 PolarHBondContact O-N 3.37Å; Y1160-R1162 PolarHBondContact O-N 2.9Å; Y1160-E1163 PolarHBondContact O-N 3.13Å; Y1160-L1164 HydrophobicContact CD1-CD1 3.86Å; Y1160-L1164 HydrophobicContact CD1-CG 4.43Å; Y1160-L1164 HydrophobicContact CE1-CD1 3.23Å; Y1160-L1164 HydrophobicContact CE1-CG 4.04Å; Y1160-L1164 HydrophobicContact CE2-CD1 4.38Å; Y1160-L1164 HydrophobicContact CE2-CG 4.41Å; Y1160-L1164 WeakPolarHBondContact O-CG 3.27Å; Y1160-L1164 PolarHBondContact O-N 2.97Å
1161	N	85.3	Confident	79.3	Confident	16 Å²	16	89 Å²	89	9%	0.086	40%	0.402	C	S	.	.	H	α-helix	trans	-66.8	-35.8	179	-72.7	-17.6	0	0	0	112.1	R1091 K1092 I1157 E1158 K1159 L1164 E1165	R1091-N1161 WeakPolarHBondContact CA-OD1 3.28Å; R1091-N1161 HydrophobicContact CG-CB 4.45Å; K1092-N1161 PolarHBondContact N-OD1 3.1Å; K1092-N1161 PolarHBondContact O-ND2 3.41Å; I1157-N1161 WeakPolarHBondContact O-CB 3.09Å; I1157-N1161 PolarHBondContact O-N 2.62Å; I1157-N1161 PolarHBondContact O-ND2 3.3Å; E1158-N1161 PolarHBondContact O-N 3.08Å; K1159-N1161 PolarHBondContact O-N 3.48Å; N1161-L1164 PolarHBondContact O-N 2.97Å; N1161-E1165 WeakPolarHBondContact O-CG 3.38Å; N1161-E1165 PolarHBondContact O-N 2.91Å; N1161-E1165 VanDerWaalsContact O-N 3.12Å
1162	R	81.1	Confident	79	Confident	130 Å²	130	82.8 Å²	82.8	49%	0.491	37%	0.373	S	S	.	.	H	α-helix	trans	-67.9	-42.5	172.3	-80.6	-174.5	-68.9	-121.9	-7.5	112.3	E1158 K1159 Y1160 L1164 E1165 Q1166	E1158-R1162 WeakPolarHBondContact O-CB 3.35Å; E1158-R1162 WeakPolarHBondContact O-CG 3.41Å; E1158-R1162 PolarHBondContact O-N 3.03Å; K1159-R1162 PolarHBondContact O-N 3.41Å; Y1160-R1162 PolarHBondContact O-N 2.9Å; R1162-L1164 VanDerWaalsContact C-N 3.26Å; R1162-L1164 PolarHBondContact O-N 3.48Å; R1162-E1165 PolarHBondContact O-N 2.78Å; R1162-E1165 VanDerWaalsContact O-N 3.17Å; R1162-Q1166 PolarHBondContact O-N 2.87Å
1163	E	81	Confident	78.8	Confident	96 Å²	96	81.4 Å²	81.4	45%	0.449	37%	0.366	S	S	.	.	H	α-helix	trans	-61.9	-35.9	174.8	-74.3	171.3	-175.3	0	0	111.5	K1159 Y1160 Q1167	K1159-E1163 WeakPolarHBondContact CE-OE1 3.43Å; K1159-E1163 WeakPolarHBondContact O-CG 3.48Å; K1159-E1163 PolarHBondContact O-N 3.17Å; Y1160-E1163 PolarHBondContact O-N 3.13Å; E1163-Q1167 PolarHBondContact O-N 3.01Å
1164	L	79.2	Confident	78.1	Confident	24 Å²	24	85.5 Å²	85.5	13%	0.126	38%	0.383	C	S	.	.	H	α-helix	trans	-68	-33.2	172.7	-78.2	-179.8	0	0	0	113.9	P1089 Y1160 N1161 R1162 Q1166 Q1167	P1089-L1164 HydrophobicContact CB-CD1 4.17Å; P1089-L1164 HydrophobicContact CB-CD2 3.58Å; P1089-L1164 HydrophobicContact CG-CD2 3.71Å; Y1160-L1164 HydrophobicContact CD1-CD1 3.86Å; Y1160-L1164 HydrophobicContact CD1-CG 4.43Å; Y1160-L1164 HydrophobicContact CE1-CD1 3.23Å; Y1160-L1164 HydrophobicContact CE1-CG 4.04Å; Y1160-L1164 HydrophobicContact CE2-CD1 4.38Å; Y1160-L1164 HydrophobicContact CE2-CG 4.41Å; Y1160-L1164 WeakPolarHBondContact O-CG 3.27Å; Y1160-L1164 PolarHBondContact O-N 2.97Å; N1161-L1164 PolarHBondContact O-N 2.97Å; R1162-L1164 VanDerWaalsContact C-N 3.26Å; R1162-L1164 PolarHBondContact O-N 3.48Å; L1164-Q1166 VanDerWaalsContact C-N 3.34Å; L1164-Q1167 PolarHBondContact O-N 2.91Å
1165	E	72.7	Confident	76.4	Confident	117 Å²	117	91.1 Å²	91.1	55%	0.547	41%	0.412	S	S	.	.	H	α-helix	trans	-71.8	-28.9	177.2	-80.5	171	-173.3	0	0	113	R1091 N1161 R1162 Q1167	R1091-E1165 IonicContact CZ-OE1 2.65Å; R1091-E1165 IonicContact NE-OE1 3.21Å; R1091-E1165 PolarHBondContact NE-OE1 2.7Å; R1091-E1165 IonicContact NH2-OE1 2.66Å; R1091-E1165 PolarHBondContact NH2-OE1 2.91Å; N1161-E1165 WeakPolarHBondContact O-CG 3.38Å; N1161-E1165 PolarHBondContact O-N 2.91Å; N1161-E1165 VanDerWaalsContact O-N 3.12Å; R1162-E1165 PolarHBondContact O-N 2.78Å; R1162-E1165 VanDerWaalsContact O-N 3.17Å; E1165-Q1167 VanDerWaalsContact C-N 3.31Å
1166	Q	71.4	Confident	74.4	Confident	164 Å²	164	91.3 Å²	91.3	77%	0.766	42%	0.417	S	S	*	.	H	α-helix	trans	-77.9	-15.8	175.3	-68	179.1	-2.2	0	0	113	R1162 L1164 E1168	R1162-Q1166 PolarHBondContact O-N 2.87Å; L1164-Q1166 VanDerWaalsContact C-N 3.34Å; Q1166-E1168 PolarHBondContact O-N 3.46Å
1167	Q	69.6	Low	72.1	Confident	127 Å²	127	93.8 Å²	93.8	59%	0.593	45%	0.445	S	S	*	.	S	Bend	trans	-80	110.4	173	-77.8	-177	-4.2	0	0	110.7	E1163 L1164 E1165 Y1169	E1163-Q1167 PolarHBondContact O-N 3.01Å; L1164-Q1167 PolarHBondContact O-N 2.91Å; E1165-Q1167 VanDerWaalsContact C-N 3.31Å; Q1167-Y1169 PolarHBondContact O-N 2.7Å
1168	E	62.2	Low	71.4	Confident	168 Å²	168	97.7 Å²	97.7	79%	0.785	46%	0.462	S	S	*	.			trans	-64.2	115.4	169	-71.5	-175	166.1	0	0	110	Q1166 H1170	Q1166-E1168 PolarHBondContact O-N 3.46Å; E1168-H1170 IonicContact OE2-NE2 3.95Å
1169	Y	64.9	Low	70.7	Confident	95 Å²	95	98.3 Å²	98.3	37%	0.373	47%	0.466	S	S	.	.			trans	-110.2	113.1	176.1	-175.7	-82.3	0	0	0	108.3	K1086 K1088 Q1167	K1086-Y1169 WeakPolarHBondContact O-CE2 3.4Å; K1086-Y1169 PolarHBondContact O-OH 3.32Å; K1088-Y1169 VanDerWaalsContact CA-CE2 3.44Å; K1088-Y1169 HydrophobicContact CB-CD1 4.11Å; K1088-Y1169 HydrophobicContact CB-CD2 3.92Å; K1088-Y1169 HydrophobicContact CB-CE1 3.99Å; K1088-Y1169 HydrophobicContact CB-CE2 3.76Å; K1088-Y1169 HydrophobicContact CB-CG 4.07Å; K1088-Y1169 HydrophobicContact CD-CD1 4.21Å; K1088-Y1169 HydrophobicContact CD-CG 4.18Å; K1088-Y1169 HydrophobicContact CG-CD1 4.35Å; K1088-Y1169 HydrophobicContact CG-CD2 4.1Å; K1088-Y1169 HydrophobicContact CG-CE2 4.46Å; K1088-Y1169 HydrophobicContact CG-CG 4.02Å; K1088-Y1169 VanDerWaalsContact N-CE2 3.28Å; K1088-Y1169 PolarHBondContact N-OH 3.13Å; Q1167-Y1169 PolarHBondContact O-N 2.7Å
1170	H	68.1	Low	69.9	Low	64 Å²	64	96.9 Å²	96.9	30%	0.296	46%	0.462	S	S	.	.			trans	-98.6	144.6	180	-59	-79.3	0	0	0	111	R981 E1168 E1174	R981-H1170 PolarHBondContact NH2-CD2 3.29Å; E1168-H1170 IonicContact OE2-NE2 3.95Å; H1170-E1174 WeakPolarHBondContact CA-OE2 3.35Å; H1170-E1174 WeakPolarHBondContact CB-OE2 3.25Å; H1170-E1174 IonicContact CG-OE2 3.77Å; H1170-E1174 IonicContact ND1-OE2 3.56Å
1171	D	75.6	Confident	69	Low	37 Å²	37	98.4 Å²	98.4	20%	0.198	47%	0.472	C	S	.	.			trans	-68.2	157.4	178.3	-164.5	18.1	0	0	0	111.9	R981 R1082 F1173 E1174	R981-D1171 PolarHBondContact NE-O 3.45Å; R1082-D1171 IonicContact CZ-OD2 3.09Å; R1082-D1171 IonicContact NE-OD1 2.82Å; R1082-D1171 PolarHBondContact NE-OD1 3.34Å; R1082-D1171 IonicContact NE-OD2 3.65Å; R1082-D1171 PolarHBondContact NE-OD2 3.27Å; R1082-D1171 IonicContact NH2-OD2 3.67Å; R1082-D1171 PolarHBondContact NH2-OD2 3.5Å; D1171-F1173 PolarHBondContact O-N 3.43Å; D1171-E1174 HydrophobicContact CB-CB 4.33Å; D1171-E1174 HydrophobicContact CB-CG 3.87Å; D1171-E1174 PolarHBondContact N-OE2 3.45Å; D1171-E1174 PolarHBondContact O-N 3.05Å
1172	L	79.3	Confident	68	Low	9 Å²	9	103.5 Å²	103.5	5%	0.047	50%	0.497	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-31.2	175.6	-179.4	61.5	0	0	0	112.1	F979 R981 L983 L1081 A1085	F979-L1172 HydrophobicContact CB-CD1 4.21Å; F979-L1172 HydrophobicContact CB-CG 4.02Å; F979-L1172 HydrophobicContact CD2-CD1 3.92Å; F979-L1172 HydrophobicContact CD2-CG 4.46Å; F979-L1172 HydrophobicContact CG-CD1 4.31Å; F979-L1172 HydrophobicContact CG-CG 4.38Å; R981-L1172 HydrophobicContact CB-CD1 3.99Å; L983-L1172 HydrophobicContact CD2-CD1 3.99Å; L983-L1172 HydrophobicContact CD2-CD2 4.01Å; L1081-L1172 HydrophobicContact CB-CD2 3.96Å; A1085-L1172 HydrophobicContact CB-CD1 4.35Å; A1085-L1172 HydrophobicContact CB-CD2 4.4Å
1173	F	81	Confident	67.2	Low	48 Å²	48	101.7 Å²	101.7	21%	0.211	50%	0.497	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-0.7	-176.1	-53	-68.2	0	0	0	113.9	V977 F979 K1078 L1081 R1082 D1171 L1175	V977-F1173 HydrophobicContact CG1-CD1 4.29Å; V977-F1173 HydrophobicContact CG1-CE1 3.41Å; V977-F1173 VanDerWaalsContact CG1-CE1 3.41Å; V977-F1173 HydrophobicContact CG1-CZ 4.01Å; F979-F1173 HydrophobicContact CB-CD1 4.07Å; F979-F1173 HydrophobicContact CB-CE1 4.03Å; K1078-F1173 HydrophobicContact CB-CE2 3.69Å; K1078-F1173 HydrophobicContact CB-CZ 3.89Å; K1078-F1173 HydrophobicContact CD-CE2 4.48Å; K1078-F1173 HydrophobicContact CG-CE1 4.26Å; K1078-F1173 HydrophobicContact CG-CE2 3.83Å; K1078-F1173 HydrophobicContact CG-CZ 3.7Å; L1081-F1173 HydrophobicContact CB-CZ 4.15Å; L1081-F1173 HydrophobicContact CD1-CE1 4.48Å; L1081-F1173 HydrophobicContact CD1-CZ 4.19Å; R1082-F1173 HydrophobicContact CG-CE2 4.04Å; D1171-F1173 PolarHBondContact O-N 3.43Å; F1173-L1175 PolarHBondContact O-N 3.47Å
1174	E	68.2	Low	66.2	Low	100 Å²	100	102.1 Å²	102.1	47%	0.467	50%	0.5	S	S	.	.	S	Bend	trans	-74.4	121.6	172.7	-83.4	170.7	-172.3	0	0	109.7	H1170 D1171 K1176	H1170-E1174 WeakPolarHBondContact CA-OE2 3.35Å; H1170-E1174 WeakPolarHBondContact CB-OE2 3.25Å; H1170-E1174 IonicContact CG-OE2 3.77Å; H1170-E1174 IonicContact ND1-OE2 3.56Å; D1171-E1174 HydrophobicContact CB-CB 4.33Å; D1171-E1174 HydrophobicContact CB-CG 3.87Å; D1171-E1174 PolarHBondContact N-OE2 3.45Å; D1171-E1174 PolarHBondContact O-N 3.05Å; E1174-K1176 PolarHBondContact O-N 3.17Å
1175	L	52.7	Low	65.2	Low	144 Å²	144	108.2 Å²	108.2	75%	0.754	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-57.9	134.3	169.7	-75.3	161.3	0	0	0	108.6	F1173	F1173-L1175 PolarHBondContact O-N 3.47Å
1176	K	44	Very low	64.5	Low	149 Å²	149	107.4 Å²	107.4	65%	0.648	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-56.2	135.1	172.7	-82.5	-178.1	175.4	179.6	0	108.4	E1174	E1174-K1176 PolarHBondContact O-N 3.17Å
1177	P	37.7	Very low	63.9	Low	184 Å²	184	102.3 Å²	102.3	100%	1.195	51%	0.506	S	S	*	.			trans	-59.9	0	172.8	25.8	-32.5	0	0	0	112

Retrieved 1,177 of 1,177 residues in 2948.9 ms (Link to these results)

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