A0A3Q0KMK5_SCHMA Loading...

Phosphodiesterase

AlphaFold DB , UniProt , Accession A0A3Q0KMK5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 965 aa.

						>A0A3Q0KMK5_SCHMA|A0A3Q0KMK5
MNKNYSRISWENEVNDVSVLLGSIISRREMLEQSQNAAKILFPTCWLAELVISNRHQPSVNCPLEVLIREIRNSTDQEINVKEVTTNFITQLTSVSKSQNQPNFDLTNNNQHMISFELNKDNEYGEYVAHFVMILESLPKAHLHKAQLLKNQLSSTLNRIIRLEQFNEFSSTSTLLKQRYPCCSQGTEASTWISREDNMLILKLCESLWDTEANRLQHKVLRYVMERTNSENGFIVMRNIDTSELVCHCTGNEIFEESTYIENDSFFNEIMQSGKTFKATHLNSEQEHTLLSILSVHNAYMNNENYVTNQNADIQIHSVLCSPVFTRSCDSPIAVVCLINKRDSQFTQSDERIIEECFRFVAPILLSSLAYQNERYIRGRTEDMLKVARNIFTHMMDLTNLLLKIMQEAQNLTKAERCSVFLLDSETNVLVAKVLDGLPTAPNKNTRFTTADGKIVTLPEEIRLSLNQGIAGYVATTGELLNIKDAYAHPLFYRGVDKETGFRTRNILCFPIKNEKDGIVGVAQLCNKINHPFFTRADEDVAKTFSIYCCISIVHSLMYKNVQDAQHRTKLANELMMYHMKVDEDKKNWLTTCEIKDINTFLPNASSFESLPRNIQPENETYLCTLSMFHSLNLINRWRISRRTLAQFILMVRRGYRNPAYHNWMHAFSVAHFVYVCIKNLPLANNQLDDIEILALFVASLCHDIDHRGTNNSFQVQSKSVLAALYSSEGSVLERHHFSQTICVLNTEGCNIFENVSKEDYGQLLDHIRDIIVATDLSHHLRIMPKLEELSHRGYDGTKSEDHYLLLCLLMTSADLSDQTKSWNNTVYVAKLIYEEFFQQGDMEKSLGHNPIDSMDRERACVPNLQISFLDYIITPLYKVLNNLYPQCSSILDTIEKNRDNWKIILELVEKGYIKGNGSEIFNHNLVEILAKLQLKSTTGPISVSSTPSVVQPLSSSSSSLKPDI
					

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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	23.5	Very low	30.4	Very low	241 Å²	241	152.5 Å²	152.5	100%	1.187	72%	0.718	S	S	*	*				0	-0.5	0	-97.4	-177.4	175.3	0	0	115.3
2	N	26.9	Very low	30.5	Very low	135 Å²	135	146.3 Å²	146.3	72%	0.722	69%	0.693	S	S	*	*			trans	-118.9	62.7	179.4	-76.9	-14.2	0	0	0	113.6
3	K	28.9	Very low	30.7	Very low	202 Å²	202	138.3 Å²	138.3	88%	0.878	66%	0.655	S	S	*	*	S	Bend	trans	-101	0.7	166.7	-90.1	-169.6	177	-177.8	0	114.1
4	N	30.5	Very low	31	Very low	142 Å²	142	134.4 Å²	134.4	76%	0.759	64%	0.644	S	S	*	*	S	Bend	trans	-104	3.1	-175.2	-79.5	-7.2	0	0	0	115.9
5	Y	28.4	Very low	31.2	Very low	183 Å²	183	129.7 Å²	129.7	72%	0.718	62%	0.624	S	S	*	*	S	Bend	trans	-90.7	-9.3	-178.1	-81.6	-79	0	0	0	115.6
6	S	33.8	Very low	31.5	Very low	110 Å²	110	125.5 Å²	125.5	77%	0.769	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	3.2	-176.4	59.5	0	0	0	0	115.7
7	R	31.7	Very low	31.8	Very low	203 Å²	203	123.9 Å²	123.9	77%	0.766	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.1	1.5	-179.5	-103.2	-174.2	-177.1	178.6	3.7	115.8	H144	R7-H144 PolarHBondContact NH2-NE2 3.02Å; R7-H144 VanDerWaalsContact NH2-NE2 3.18Å
8	I	27.5	Very low	31.9	Very low	118 Å²	118	118.3 Å²	118.3	61%	0.605	58%	0.581	S	S	*	*	S	Bend	trans	-97.1	114	-179.8	-59.9	174.2	0	0	0	109.4
9	S	38.9	Very low	32	Very low	21 Å²	21	117.5 Å²	117.5	15%	0.147	58%	0.583	C	S	.	*	S	Bend	trans	124.8	-11.6	142.1	78.6	0	0	0	0	119.7	E11 N12 S328	S9-E11 PolarHBondContact O-N 2.91Å; S9-N12 PolarHBondContact O-N 2.9Å; S9-S328 WeakPolarHBondContact OG-CB 3.23Å
10	W	32.6	Very low	32.2	Very low	179 Å²	179	117 Å²	117	68%	0.678	58%	0.582	S	S	*	*	H	α-helix	trans	-54.6	-31	174	-73.7	87	0	0	0	112.2	N12 V14	W10-N12 VanDerWaalsContact C-N 3.32Å; W10-N12 PolarHBondContact O-N 3.01Å; W10-V14 VanDerWaalsContact O-CG2 3.3Å; W10-V14 WeakPolarHBondContact O-CG2 3.3Å; W10-V14 PolarHBondContact O-N 3.15Å
11	E	31.4	Very low	32.3	Very low	143 Å²	143	115.4 Å²	115.4	67%	0.668	58%	0.575	S	S	*	*	H	α-helix	trans	-64.3	-30	176.8	-71.6	-178.4	159.5	0	0	113.9	S9	S9-E11 PolarHBondContact O-N 2.91Å
12	N	32.1	Very low	32.9	Very low	79 Å²	79	104.2 Å²	104.2	42%	0.422	52%	0.522	S	S	.	.	H	α-helix	trans	-86	-33.6	-176.6	-79	-20	0	0	0	113.1	S9 W10 N15	S9-N12 PolarHBondContact O-N 2.9Å; W10-N12 VanDerWaalsContact C-N 3.32Å; W10-N12 PolarHBondContact O-N 3.01Å; N12-N15 WeakPolarHBondContact O-CB 3.42Å; N12-N15 PolarHBondContact O-N 2.8Å
13	E	32.8	Very low	33.5	Very low	42 Å²	42	102.4 Å²	102.4	20%	0.196	52%	0.52	C	S	.	.	H	α-helix	trans	-75.6	-35.3	179.6	-67.4	178.8	164.8	0	0	111.8	N15 P363	E13-N15 PolarHBondContact O-N 3.3Å; E13-P363 HydrophobicContact CB-CB 4.31Å; E13-P363 HydrophobicContact CB-CG 4.25Å; E13-P363 VanDerWaalsContact CD-CB 3.42Å; E13-P363 VanDerWaalsContact CD-CG 3.43Å; E13-P363 HydrophobicContact CG-CB 4.12Å; E13-P363 HydrophobicContact CG-CG 3.78Å; E13-P363 WeakPolarHBondContact OE1-CG 3.49Å; E13-P363 WeakPolarHBondContact OE2-CB 3.11Å
14	V	34.7	Very low	33.9	Very low	83 Å²	83	98 Å²	98	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-64.6	-30.5	173.5	173.7	0	0	0	0	111.3	W10 S18	W10-V14 VanDerWaalsContact O-CG2 3.3Å; W10-V14 WeakPolarHBondContact O-CG2 3.3Å; W10-V14 PolarHBondContact O-N 3.15Å; V14-S18 WeakPolarHBondContact O-CB 3.45Å; V14-S18 PolarHBondContact O-N 3.06Å; V14-S18 VanDerWaalsContact O-N 3.08Å; V14-S18 PolarHBondContact O-OG 3.18Å
15	N	34.3	Very low	34.5	Very low	65 Å²	65	92.7 Å²	92.7	35%	0.348	48%	0.476	S	S	.	.	H	α-helix	trans	-63.8	-40.6	-178.9	-101.7	-16.6	0	0	0	113.3	N12 E13 S18 V19	N12-N15 WeakPolarHBondContact O-CB 3.42Å; N12-N15 PolarHBondContact O-N 2.8Å; E13-N15 PolarHBondContact O-N 3.3Å; N15-S18 WeakPolarHBondContact O-CB 3.47Å; N15-S18 PolarHBondContact O-N 3.32Å; N15-V19 VanDerWaalsContact O-CG2 3.32Å; N15-V19 WeakPolarHBondContact O-CG2 3.49Å; N15-V19 PolarHBondContact O-N 3.11Å
16	D	36.7	Very low	35.5	Very low	62 Å²	62	86.6 Å²	86.6	33%	0.332	46%	0.46	S	S	.	.	H	α-helix	trans	-76.4	-41.5	-172.1	-76.1	6.6	0	0	0	112.5	S18 V19 R327	D16-S18 VanDerWaalsContact C-N 3.27Å; D16-S18 PolarHBondContact O-N 3.17Å; D16-V19 PolarHBondContact O-N 2.68Å; D16-R327 IonicContact OD1-NH1 2.74Å; D16-R327 PolarHBondContact OD1-NH1 3.33Å; D16-R327 IonicContact OD2-CZ 3.26Å; D16-R327 IonicContact OD2-NH1 3.26Å; D16-R327 PolarHBondContact OD2-NH1 2.88Å; D16-R327 IonicContact OD2-NH2 2.64Å; D16-R327 PolarHBondContact OD2-NH2 3.02Å
17	V	36	Very low	36.2	Very low	99 Å²	99	90 Å²	90	60%	0.6	46%	0.456	S	S	*	.	H	α-helix	trans	-67.8	-32.9	171.1	-178.7	0	0	0	0	110.5	L20 L21	V17-L20 PolarHBondContact O-N 2.99Å; V17-L21 HydrophobicContact CG1-CD1 3.99Å; V17-L21 HydrophobicContact CG1-CG 4.48Å; V17-L21 PolarHBondContact O-N 3.33Å; V17-L21 VanDerWaalsContact O-N 3.1Å
18	S	33.5	Very low	37.3	Very low	22 Å²	22	88.9 Å²	88.9	15%	0.154	45%	0.452	C	S	.	.	H	α-helix	trans	-66.3	-35.3	175.9	-87.5	0	0	0	0	114.6	V14 N15 D16 L20 L21 G22 R159	V14-S18 WeakPolarHBondContact O-CB 3.45Å; V14-S18 PolarHBondContact O-N 3.06Å; V14-S18 VanDerWaalsContact O-N 3.08Å; V14-S18 PolarHBondContact O-OG 3.18Å; N15-S18 WeakPolarHBondContact O-CB 3.47Å; N15-S18 PolarHBondContact O-N 3.32Å; D16-S18 VanDerWaalsContact C-N 3.27Å; D16-S18 PolarHBondContact O-N 3.17Å; S18-L20 PolarHBondContact O-N 2.94Å; S18-L21 PolarHBondContact O-N 3.35Å; S18-G22 WeakPolarHBondContact O-CA 3.32Å; S18-G22 PolarHBondContact O-N 2.64Å; S18-R159 VanDerWaalsContact O-CZ 3.27Å; S18-R159 PolarHBondContact O-NH1 2.93Å; S18-R159 PolarHBondContact OG-NH1 3.25Å
19	V	34.6	Very low	38.9	Very low	103 Å²	103	87.1 Å²	87.1	62%	0.624	44%	0.441	S	S	*	.	H	α-helix	trans	-62.3	-36.5	176.1	167.4	0	0	0	0	110.5	N15 D16	N15-V19 VanDerWaalsContact O-CG2 3.32Å; N15-V19 WeakPolarHBondContact O-CG2 3.49Å; N15-V19 PolarHBondContact O-N 3.11Å; D16-V19 PolarHBondContact O-N 2.68Å
20	L	35.5	Very low	39.8	Very low	108 Å²	108	86.5 Å²	86.5	57%	0.565	44%	0.436	S	S	*	.	H	α-helix	trans	-76.5	-37.9	178	-146.7	114.6	0	0	0	112.7	V17 S18 S23 L202	V17-L20 PolarHBondContact O-N 2.99Å; S18-L20 PolarHBondContact O-N 2.94Å; L20-S23 PolarHBondContact O-OG 3.31Å; L20-L202 HydrophobicContact CD2-CD2 4.41Å
21	L	33.3	Very low	41.2	Very low	83 Å²	83	80.2 Å²	80.2	44%	0.435	42%	0.415	S	S	.	.	H	α-helix	trans	-77.5	-23.3	177.4	-68.5	174.4	0	0	0	112.9	V17 S18 S23 I24 I25	V17-L21 HydrophobicContact CG1-CD1 3.99Å; V17-L21 HydrophobicContact CG1-CG 4.48Å; V17-L21 PolarHBondContact O-N 3.33Å; V17-L21 VanDerWaalsContact O-N 3.1Å; S18-L21 PolarHBondContact O-N 3.35Å; L21-S23 VanDerWaalsContact C-N 3.26Å; L21-S23 PolarHBondContact O-N 3.25Å; L21-I24 WeakPolarHBondContact O-CA 3.44Å; L21-I24 WeakPolarHBondContact O-CB 3.34Å; L21-I24 PolarHBondContact O-N 3.08Å; L21-I25 PolarHBondContact O-N 2.96Å
22	G	36	Very low	42.8	Very low	7 Å²	7	77.5 Å²	77.5	7%	0.072	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-27	-177.4	0	0	0	0	0	115.1	S18 I24 R159	S18-G22 WeakPolarHBondContact O-CA 3.32Å; S18-G22 PolarHBondContact O-N 2.64Å; G22-I24 PolarHBondContact O-N 3.47Å; G22-R159 VanDerWaalsContact CA-NH2 3.27Å
23	S	39.6	Very low	44.4	Very low	97 Å²	97	78.7 Å²	78.7	68%	0.678	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-6.4	171.7	50.5	0	0	0	0	114.1	L20 L21	L20-S23 PolarHBondContact O-OG 3.31Å; L21-S23 VanDerWaalsContact C-N 3.26Å; L21-S23 PolarHBondContact O-N 3.25Å
24	I	38.7	Very low	46.1	Very low	110 Å²	110	77 Å²	77	56%	0.564	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-29.7	-173.5	-53.7	178.3	0	0	0	111.8	L21 G22 S26	L21-I24 WeakPolarHBondContact O-CA 3.44Å; L21-I24 WeakPolarHBondContact O-CB 3.34Å; L21-I24 PolarHBondContact O-N 3.08Å; G22-I24 PolarHBondContact O-N 3.47Å; I24-S26 PolarHBondContact O-N 3.43Å; I24-S26 VanDerWaalsContact O-N 3.11Å
25	I	42.3	Very low	47.7	Very low	29 Å²	29	75.4 Å²	75.4	15%	0.149	39%	0.385	C	S	.	.			trans	-76.5	105.3	-174.3	-57.3	-176.9	0	0	0	110.3	L21 E29 M30	L21-I25 PolarHBondContact O-N 2.96Å; I25-E29 WeakPolarHBondContact CA-OE2 3.36Å; I25-E29 HydrophobicContact CG2-CB 3.79Å; I25-M30 HydrophobicContact CG2-CB 3.97Å
26	S	48.7	Very low	49.6	Very low	55 Å²	55	76.6 Å²	76.6	39%	0.385	39%	0.392	S	S	.	.			trans	-61.7	154.7	168.1	65.4	0	0	0	0	111	I24 R28 E29 M30	I24-S26 PolarHBondContact O-N 3.43Å; I24-S26 VanDerWaalsContact O-N 3.11Å; S26-R28 PolarHBondContact O-N 3.09Å; S26-E29 WeakPolarHBondContact CB-OE2 3.44Å; S26-E29 PolarHBondContact N-OE2 3.08Å; S26-E29 PolarHBondContact O-N 3.48Å; S26-E29 WeakPolarHBondContact OG-CG 3.5Å; S26-E29 PolarHBondContact OG-N 2.83Å; S26-E29 PolarHBondContact OG-OE2 2.64Å; S26-M30 PolarHBondContact O-N 3.14Å; S26-M30 VanDerWaalsContact O-N 3.09Å
27	R	50.1	Low	51.4	Low	181 Å²	181	74.9 Å²	74.9	68%	0.683	39%	0.386	S	S	*	.	H	α-helix	trans	-49.7	-32.2	173.1	-177.7	176.4	173.9	-175.2	-3.5	112.7	L31	R27-L31 PolarHBondContact O-N 2.89Å
28	R	55	Low	53.3	Low	181 Å²	181	70.1 Å²	70.1	68%	0.683	36%	0.358	S	S	*	.	H	α-helix	trans	-68.9	-48.1	177	-176.7	179.4	178.3	158	3.5	112.4	S26 M30 L31 E32	S26-R28 PolarHBondContact O-N 3.09Å; R28-M30 VanDerWaalsContact C-N 3.3Å; R28-M30 PolarHBondContact O-N 3.26Å; R28-L31 WeakPolarHBondContact O-CB 3.19Å; R28-L31 PolarHBondContact O-N 3.06Å; R28-L31 VanDerWaalsContact O-N 3.16Å; R28-E32 IonicContact NE-OE1 2.62Å; R28-E32 PolarHBondContact NE-OE1 3.07Å; R28-E32 PolarHBondContact O-N 3.35Å
29	E	59.9	Low	55.4	Low	80 Å²	80	74.5 Å²	74.5	37%	0.374	37%	0.374	S	S	.	.	H	α-helix	trans	-65.1	-35.6	179.2	-74	160.2	140.3	0	0	111.7	I25 S26 L31 E32 Q33	I25-E29 WeakPolarHBondContact CA-OE2 3.36Å; I25-E29 HydrophobicContact CG2-CB 3.79Å; S26-E29 WeakPolarHBondContact CB-OE2 3.44Å; S26-E29 PolarHBondContact N-OE2 3.08Å; S26-E29 PolarHBondContact O-N 3.48Å; S26-E29 WeakPolarHBondContact OG-CG 3.5Å; S26-E29 PolarHBondContact OG-N 2.83Å; S26-E29 PolarHBondContact OG-OE2 2.64Å; E29-L31 VanDerWaalsContact C-N 3.32Å; E29-L31 PolarHBondContact O-N 3.3Å; E29-E32 PolarHBondContact O-N 3.39Å; E29-Q33 WeakPolarHBondContact O-CB 3.29Å; E29-Q33 WeakPolarHBondContact O-CG 3.5Å; E29-Q33 PolarHBondContact O-N 2.67Å
30	M	59.1	Low	57.3	Low	9 Å²	9	76.1 Å²	76.1	4%	0.044	38%	0.377	C	S	.	.	H	α-helix	trans	-61.3	-43.6	173.3	-168.8	-165.9	75.4	0	0	111.1	I25 S26 R28 Q33 S34 L50 T156 I160	I25-M30 HydrophobicContact CG2-CB 3.97Å; S26-M30 PolarHBondContact O-N 3.14Å; S26-M30 VanDerWaalsContact O-N 3.09Å; R28-M30 VanDerWaalsContact C-N 3.3Å; R28-M30 PolarHBondContact O-N 3.26Å; M30-Q33 PolarHBondContact O-N 3.12Å; M30-S34 VanDerWaalsContact O-CB 3.32Å; M30-S34 WeakPolarHBondContact O-CB 3.3Å; M30-S34 PolarHBondContact O-N 3.39Å; M30-S34 PolarHBondContact O-OG 3.16Å; M30-L50 HydrophobicContact CE-CD2 3.38Å; M30-T156 HydrophobicContact CG-CG2 4.16Å; M30-T156 HydrophobicContact SD-CG2 4.22Å; M30-I160 HydrophobicContact CB-CD1 4.46Å; M30-I160 HydrophobicContact CG-CD1 4.26Å; M30-I160 HydrophobicContact SD-CD1 3.39Å; M30-I160 WeakPolarHBondContact SD-CD1 3.31Å
31	L	60.2	Low	59.3	Low	47 Å²	47	72.6 Å²	72.6	25%	0.246	36%	0.359	C	S	.	.	H	α-helix	trans	-60.6	-47.3	177.2	-170.6	72.4	0	0	0	110.8	R27 R28 E29 S34 Q35 L50	R27-L31 PolarHBondContact O-N 2.89Å; R28-L31 WeakPolarHBondContact O-CB 3.19Å; R28-L31 PolarHBondContact O-N 3.06Å; R28-L31 VanDerWaalsContact O-N 3.16Å; E29-L31 VanDerWaalsContact C-N 3.32Å; E29-L31 PolarHBondContact O-N 3.3Å; L31-S34 PolarHBondContact O-N 3.22Å; L31-Q35 WeakPolarHBondContact O-CB 3.32Å; L31-Q35 VanDerWaalsContact O-CG 3.28Å; L31-Q35 WeakPolarHBondContact O-CG 3.44Å; L31-Q35 PolarHBondContact O-N 3.07Å; L31-L50 HydrophobicContact CD1-CB 3.69Å
32	E	65.9	Low	61.7	Low	85 Å²	85	68.6 Å²	68.6	40%	0.397	34%	0.338	S	S	.	.	H	α-helix	trans	-62.9	-43.5	178.7	-73	177	-168.9	0	0	112.2	R28 E29 Q35 N36	R28-E32 IonicContact NE-OE1 2.62Å; R28-E32 PolarHBondContact NE-OE1 3.07Å; R28-E32 PolarHBondContact O-N 3.35Å; E29-E32 PolarHBondContact O-N 3.39Å; E32-Q35 PolarHBondContact O-N 3.35Å; E32-N36 WeakPolarHBondContact O-CB 3.42Å; E32-N36 VanDerWaalsContact O-CG 3.24Å; E32-N36 PolarHBondContact O-N 3.42Å; E32-N36 PolarHBondContact O-ND2 2.95Å
33	Q	66.5	Low	63.8	Low	105 Å²	105	73.4 Å²	73.4	49%	0.491	37%	0.368	S	S	.	.	H	α-helix	trans	-64.6	-41	176.1	-74.6	-177	0.5	0	0	112.2	E29 M30 Q35 N36 A37	E29-Q33 WeakPolarHBondContact O-CB 3.29Å; E29-Q33 WeakPolarHBondContact O-CG 3.5Å; E29-Q33 PolarHBondContact O-N 2.67Å; M30-Q33 PolarHBondContact O-N 3.12Å; Q33-Q35 VanDerWaalsContact C-N 3.34Å; Q33-Q35 PolarHBondContact O-N 3.39Å; Q33-N36 PolarHBondContact O-N 3Å; Q33-A37 WeakPolarHBondContact O-CB 3.42Å; Q33-A37 PolarHBondContact O-N 2.99Å
34	S	66.9	Low	65.8	Low	5 Å²	5	70.5 Å²	70.5	4%	0.035	35%	0.346	C	S	.	.	H	α-helix	trans	-63.5	-42.4	177.8	-53.2	0	0	0	0	111.1	M30 L31 A37 A38 F131 L153	M30-S34 VanDerWaalsContact O-CB 3.32Å; M30-S34 WeakPolarHBondContact O-CB 3.3Å; M30-S34 PolarHBondContact O-N 3.39Å; M30-S34 PolarHBondContact O-OG 3.16Å; L31-S34 PolarHBondContact O-N 3.22Å; S34-A37 PolarHBondContact O-N 3.07Å; S34-A38 WeakPolarHBondContact O-CB 3.45Å; S34-A38 PolarHBondContact O-N 3.42Å; S34-F131 VanDerWaalsContact CB-CE2 3.5Å; S34-L153 WeakPolarHBondContact OG-CD2 3.49Å
35	Q	69.5	Low	67.8	Low	50 Å²	50	65.6 Å²	65.6	23%	0.234	32%	0.322	C	S	.	.	H	α-helix	trans	-62.5	-42.9	174.9	-75.8	176.3	-11.8	0	0	112	L31 E32 Q33 A38 K39 A48 E49	L31-Q35 WeakPolarHBondContact O-CB 3.32Å; L31-Q35 VanDerWaalsContact O-CG 3.28Å; L31-Q35 WeakPolarHBondContact O-CG 3.44Å; L31-Q35 PolarHBondContact O-N 3.07Å; E32-Q35 PolarHBondContact O-N 3.35Å; Q33-Q35 VanDerWaalsContact C-N 3.34Å; Q33-Q35 PolarHBondContact O-N 3.39Å; Q35-A38 PolarHBondContact O-N 3.18Å; Q35-K39 WeakPolarHBondContact O-CG 3.4Å; Q35-K39 PolarHBondContact O-N 3.44Å; Q35-A48 HydrophobicContact CG-CB 4.11Å; Q35-A48 WeakPolarHBondContact CG-O 3.43Å; Q35-A48 PolarHBondContact NE2-O 3.44Å; Q35-E49 PolarHBondContact NE2-OE1 3.16Å
36	N	73.1	Confident	69.3	Low	90 Å²	90	67.4 Å²	67.4	48%	0.481	33%	0.327	S	S	.	.	H	α-helix	trans	-67.3	-43.9	178.1	-72.3	-25.6	0	0	0	112	E32 Q33 A38 K39 I40	E32-N36 WeakPolarHBondContact O-CB 3.42Å; E32-N36 VanDerWaalsContact O-CG 3.24Å; E32-N36 PolarHBondContact O-N 3.42Å; E32-N36 PolarHBondContact O-ND2 2.95Å; Q33-N36 PolarHBondContact O-N 3Å; N36-A38 VanDerWaalsContact C-N 3.32Å; N36-A38 PolarHBondContact O-N 2.76Å; N36-K39 PolarHBondContact O-N 2.9Å; N36-I40 WeakPolarHBondContact O-CG1 3.26Å; N36-I40 PolarHBondContact O-N 3.25Å
37	A	74.2	Confident	70.6	Confident	26 Å²	26	66.1 Å²	66.1	22%	0.215	32%	0.315	C	S	.	.	H	α-helix	trans	-61	-41.8	176.1	0	0	0	0	0	111.7	Q33 S34 I40 L41 L149	Q33-A37 WeakPolarHBondContact O-CB 3.42Å; Q33-A37 PolarHBondContact O-N 2.99Å; S34-A37 PolarHBondContact O-N 3.07Å; A37-I40 PolarHBondContact O-N 2.78Å; A37-L41 WeakPolarHBondContact O-CB 3.17Å; A37-L41 WeakPolarHBondContact O-CG 3.42Å; A37-L41 PolarHBondContact O-N 3.27Å; A37-L149 HydrophobicContact CB-CD1 3.73Å
38	A	77.1	Confident	72	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.5	-48.2	173.7	0	0	0	0	0	111.7	S34 Q35 N36 I40 L41 F42 A48 F131 M133 L149	S34-A38 WeakPolarHBondContact O-CB 3.45Å; S34-A38 PolarHBondContact O-N 3.42Å; Q35-A38 PolarHBondContact O-N 3.18Å; N36-A38 VanDerWaalsContact C-N 3.32Å; N36-A38 PolarHBondContact O-N 2.76Å; A38-I40 PolarHBondContact O-N 3.36Å; A38-L41 PolarHBondContact O-N 3.12Å; A38-F42 WeakPolarHBondContact O-CA 3.24Å; A38-F42 WeakPolarHBondContact O-CB 3.44Å; A38-F42 PolarHBondContact O-N 3.41Å; A38-A48 HydrophobicContact CB-CB 3.85Å; A38-F131 HydrophobicContact CB-CE1 4.31Å; A38-M133 HydrophobicContact CB-CG 4.33Å; A38-M133 HydrophobicContact CB-SD 3.67Å; A38-L149 HydrophobicContact CB-CD2 4.12Å
39	K	76.9	Confident	72.8	Confident	113 Å²	113	52.1 Å²	52.1	49%	0.491	27%	0.267	S	S	.	.	H	α-helix	trans	-63.8	-36.7	178.3	-74.5	179.4	179.1	177.9	0	113.6	Q35 N36 F42 P43	Q35-K39 WeakPolarHBondContact O-CG 3.4Å; Q35-K39 PolarHBondContact O-N 3.44Å; N36-K39 PolarHBondContact O-N 2.9Å; K39-F42 CarbonylContact O-C 3.57Å; K39-F42 VanDerWaalsContact O-C 3.24Å; K39-P43 WeakPolarHBondContact O-CA 3.37Å
40	I	75.8	Confident	73.2	Confident	137 Å²	137	49.5 Å²	49.5	70%	0.703	26%	0.255	S	S	*	.	H	α-helix	trans	-68	-46.1	177.6	-69.2	166.3	0	0	0	110.6	N36 A37 A38	N36-I40 WeakPolarHBondContact O-CG1 3.26Å; N36-I40 PolarHBondContact O-N 3.25Å; A37-I40 PolarHBondContact O-N 2.78Å; A38-I40 PolarHBondContact O-N 3.36Å
41	L	77.5	Confident	73.5	Confident	34 Å²	34	49.2 Å²	49.2	18%	0.178	25%	0.254	C	S	.	.	H	α-helix	trans	-72.6	-35.5	-179	-69.8	173.5	0	0	0	112.1	A37 A38 K145 L149	A37-L41 WeakPolarHBondContact O-CB 3.17Å; A37-L41 WeakPolarHBondContact O-CG 3.42Å; A37-L41 PolarHBondContact O-N 3.27Å; A38-L41 PolarHBondContact O-N 3.12Å; L41-K145 WeakPolarHBondContact O-CD 3.34Å; L41-K145 PolarHBondContact O-NZ 3.16Å; L41-L149 HydrophobicContact CD1-CB 3.87Å; L41-L149 HydrophobicContact CD1-CD1 4.14Å; L41-L149 HydrophobicContact CD1-CG 4.4Å
42	F	83.4	Confident	73.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.26	C	S	.	.			trans	-128.3	86.8	-177.8	-57.2	-85.4	0	0	0	109.9	A38 K39 T44 C45 I114 M133 L135 H142 K145 A146	A38-F42 WeakPolarHBondContact O-CA 3.24Å; A38-F42 WeakPolarHBondContact O-CB 3.44Å; A38-F42 PolarHBondContact O-N 3.41Å; K39-F42 CarbonylContact O-C 3.57Å; K39-F42 VanDerWaalsContact O-C 3.24Å; F42-T44 PolarHBondContact O-N 3.1Å; F42-C45 HydrophobicContact CB-CB 3.88Å; F42-C45 WeakPolarHBondContact O-CB 3.38Å; F42-C45 PolarHBondContact O-N 3.29Å; F42-I114 HydrophobicContact CE1-CD1 4.3Å; F42-I114 HydrophobicContact CZ-CD1 4.44Å; F42-M133 HydrophobicContact CD2-CE 4.3Å; F42-M133 HydrophobicContact CD2-SD 4.17Å; F42-M133 HydrophobicContact CE2-CE 3.99Å; F42-M133 HydrophobicContact CE2-SD 4.36Å; F42-L135 HydrophobicContact CB-CD2 3.63Å; F42-L135 HydrophobicContact CD1-CD1 4.3Å; F42-L135 HydrophobicContact CD1-CD2 4.28Å; F42-L135 HydrophobicContact CG-CD2 4.11Å; F42-H142 HydrophobicContact CE1-CB 4.2Å; F42-K145 HydrophobicContact CE1-CB 4.04Å; F42-K145 HydrophobicContact CE1-CD 4.4Å; F42-K145 HydrophobicContact CE2-CB 4.02Å; F42-K145 HydrophobicContact CZ-CB 3.47Å; F42-K145 VanDerWaalsContact CZ-CB 3.47Å; F42-A146 HydrophobicContact CZ-CB 4.09Å
43	P	79.4	Confident	73.3	Confident	108 Å²	108	47 Å²	47	70%	0.701	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.8	-179.8	-26.6	35.4	0	0	0	114.4	K39 C45	K39-P43 WeakPolarHBondContact O-CA 3.37Å; P43-C45 VanDerWaalsContact C-N 3.29Å
44	T	81.4	Confident	72.9	Confident	35 Å²	35	43 Å²	43	22%	0.215	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	2.1	176.7	55.7	0	0	0	0	113.3	F42 W46 L135 E136 S137	F42-T44 PolarHBondContact O-N 3.1Å; T44-W46 PolarHBondContact O-N 2.71Å; T44-L135 WeakPolarHBondContact O-CA 3.44Å; T44-E136 PolarHBondContact O-N 3.1Å; T44-S137 PolarHBondContact OG1-O 3.36Å
45	C	81.3	Confident	72.7	Confident	8 Å²	8	48.7 Å²	48.7	5%	0.054	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	114.7	177.8	-171.7	0	0	0	0	110.9	F42 P43 L47 L135	F42-C45 HydrophobicContact CB-CB 3.88Å; F42-C45 WeakPolarHBondContact O-CB 3.38Å; F42-C45 PolarHBondContact O-N 3.29Å; P43-C45 VanDerWaalsContact C-N 3.29Å; C45-L47 PolarHBondContact SG-O 2.78Å; C45-L135 HydrophobicContact CB-CD2 3.53Å
46	W	73.2	Confident	72.1	Confident	66 Å²	66	53.1 Å²	53.1	25%	0.25	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-24.1	-179.1	60	-93.7	0	0	0	112.9	T44 F104 Q111 I134	T44-W46 PolarHBondContact O-N 2.71Å; W46-F104 HydrophobicContact CE3-CD1 4.24Å; W46-F104 AromaticContact CE3-CE1 3.87Å; W46-F104 HydrophobicContact CE3-CE1 3.87Å; W46-F104 HydrophobicContact CH2-CD1 4.07Å; W46-F104 HydrophobicContact CH2-CE1 4.09Å; W46-F104 AromaticContact CZ3-CD1 3.74Å; W46-F104 HydrophobicContact CZ3-CD1 3.74Å; W46-F104 AromaticContact CZ3-CE1 3.36Å; W46-F104 HydrophobicContact CZ3-CE1 3.36Å; W46-Q111 VanDerWaalsContact CZ2-OE1 3.23Å; W46-I134 HydrophobicContact CH2-CB 4.27Å; W46-I134 HydrophobicContact CH2-CD1 3.99Å; W46-I134 HydrophobicContact CH2-CG2 4.18Å; W46-I134 HydrophobicContact CZ2-CB 3.76Å; W46-I134 HydrophobicContact CZ2-CD1 4.18Å; W46-I134 HydrophobicContact CZ2-CG2 3.33Å; W46-I134 PolarHBondContact N-O 2.99Å; W46-I134 VanDerWaalsContact N-O 3.1Å
47	L	76.3	Confident	71	Confident	28 Å²	28	55 Å²	55	15%	0.147	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.7	170.1	-173.9	69.5	0	0	0	109.7	C45 E49 M133 I134	C45-L47 PolarHBondContact SG-O 2.78Å; L47-E49 HydrophobicContact CD1-CG 3.9Å; L47-E49 HydrophobicContact CG-CG 4.26Å; L47-M133 CarbonylContact O-C 3.59Å; L47-M133 WeakPolarHBondContact O-CA 3.4Å; L47-I134 HydrophobicContact CB-CB 4.15Å; L47-I134 HydrophobicContact CB-CD1 4.42Å; L47-I134 HydrophobicContact CB-CG1 4.21Å; L47-I134 HydrophobicContact CD2-CD1 3.59Å; L47-I134 HydrophobicContact CD2-CG1 4.04Å; L47-I134 PolarHBondContact O-N 3.33Å
48	A	78.6	Confident	69.7	Low	7 Å²	7	58 Å²	58	6%	0.058	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	118	170.5	0	0	0	0	0	108.7	Q35 A38 F131 V132 M133	Q35-A48 HydrophobicContact CG-CB 4.11Å; Q35-A48 WeakPolarHBondContact CG-O 3.43Å; Q35-A48 PolarHBondContact NE2-O 3.44Å; A38-A48 HydrophobicContact CB-CB 3.85Å; A48-F131 HydrophobicContact CB-CE1 4.28Å; A48-F131 HydrophobicContact CB-CZ 3.94Å; A48-V132 CarbonylContact C-O 3.54Å; A48-V132 VanDerWaalsContact CA-O 3.28Å; A48-V132 WeakPolarHBondContact CA-O 3.46Å; A48-M133 HydrophobicContact CB-CG 4.23Å
49	E	73.4	Confident	68.1	Low	62 Å²	62	60.3 Å²	60.3	29%	0.29	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	144.8	-171.1	-79.7	-63.2	163.1	0	0	112.3	Q35 L47 V132	Q35-E49 PolarHBondContact NE2-OE1 3.16Å; L47-E49 HydrophobicContact CD1-CG 3.9Å; L47-E49 HydrophobicContact CG-CG 4.26Å; E49-V132 PolarHBondContact N-O 2.75Å; E49-V132 PolarHBondContact O-N 3.48Å
50	L	68.2	Low	66.1	Low	24 Å²	24	61 Å²	61	13%	0.126	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	109.7	172.5	-177.1	73.4	0	0	0	109.4	M30 L31 L118 A129 F131	M30-L50 HydrophobicContact CE-CD2 3.38Å; L31-L50 HydrophobicContact CD1-CB 3.69Å; L50-L118 HydrophobicContact CD1-CD1 3.62Å; L50-A129 HydrophobicContact CD1-CB 4.32Å; L50-F131 HydrophobicContact CB-CD2 4.34Å; L50-F131 HydrophobicContact CD1-CD2 4.25Å
51	V	65.2	Low	64.2	Low	3 Å²	3	62.3 Å²	62.3	2%	0.018	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	116.4	-178	176.7	0	0	0	0	109.8	L64 I68 A129 H130 V132	V51-L64 HydrophobicContact CB-CD2 4.2Å; V51-L64 HydrophobicContact CG1-CD2 3.51Å; V51-L64 HydrophobicContact CG1-CG 4.34Å; V51-L64 HydrophobicContact CG2-CD2 3.98Å; V51-L64 HydrophobicContact CG2-CG 4.38Å; V51-I68 HydrophobicContact CG1-CD1 4.39Å; V51-I68 HydrophobicContact CG1-CG1 3.91Å; V51-A129 WeakPolarHBondContact O-CA 3.41Å; V51-H130 PolarHBondContact N-O 2.71Å; V51-H130 PolarHBondContact O-N 3.5Å; V51-V132 HydrophobicContact CG2-CG2 4.26Å
52	I	61.7	Low	62.5	Low	73 Å²	73	63.4 Å²	63.4	37%	0.374	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.7	172.5	-53.7	-176.1	0	0	0	108.3	Y127 V128	I52-Y127 HydrophobicContact CG2-CD1 4.17Å; I52-V128 WeakPolarHBondContact CA-O 3.12Å
53	S	58.7	Low	60.8	Low	13 Å²	13	67.2 Å²	67.2	9%	0.091	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	142.8	-178.3	67.2	0	0	0	0	111	Y127 V128	S53-Y127 CarbonylContact O-C 3.59Å; S53-Y127 WeakPolarHBondContact O-CA 3.47Å; S53-V128 PolarHBondContact N-O 3.13Å; S53-V128 PolarHBondContact O-N 3.49Å
54	N	59.6	Low	59.5	Low	21 Å²	21	64.8 Å²	64.8	11%	0.112	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	133.2	171.8	-170.1	-52.1	0	0	0	109.3	H56 Q57 R72 E126 Y127	N54-H56 VanDerWaalsContact C-N 3.27Å; N54-H56 PolarHBondContact O-N 3.37Å; N54-H56 WeakPolarHBondContact OD1-CA 3.44Å; N54-H56 PolarHBondContact OD1-N 3.16Å; N54-Q57 HydrophobicContact CB-CB 4.23Å; N54-Q57 PolarHBondContact OD1-N 3.49Å; N54-R72 PolarHBondContact O-NH2 2.71Å; N54-E126 CarbonylContact C-O 3.42Å; N54-E126 WeakPolarHBondContact CA-O 3.08Å; N54-E126 PolarHBondContact OD1-O 2.88Å; N54-Y127 HydrophobicContact CB-CD1 3.94Å; N54-Y127 HydrophobicContact CB-CE1 3.69Å; N54-Y127 PolarHBondContact ND2-OH 3.47Å
55	R	61.4	Low	58	Low	124 Å²	124	68.7 Å²	68.7	47%	0.468	36%	0.361	S	S	.	.	S	Bend	trans	-65.7	-30.6	177.1	-70.6	-161.9	177.4	165.6	-0.4	112	E117 G125 E126 V128	R55-E117 IonicContact NH2-OE1 2.74Å; R55-E117 PolarHBondContact NH2-OE1 3.28Å; R55-G125 VanDerWaalsContact CD-O 3.3Å; R55-G125 WeakPolarHBondContact CD-O 3.32Å; R55-E126 PolarHBondContact N-O 3.29Å; R55-V128 HydrophobicContact CG-CG2 3.52Å
56	H	57.5	Low	56.8	Low	144 Å²	144	70.6 Å²	70.6	67%	0.667	37%	0.372	S	S	*	.	S	Bend	trans	-105.1	-20.9	-169.8	-59.7	-57.8	0	0	0	115.2	N54	N54-H56 VanDerWaalsContact C-N 3.27Å; N54-H56 PolarHBondContact O-N 3.37Å; N54-H56 WeakPolarHBondContact OD1-CA 3.44Å; N54-H56 PolarHBondContact OD1-N 3.16Å
57	Q	51	Low	56.1	Low	130 Å²	130	68 Å²	68	61%	0.607	36%	0.363	S	S	*	.			trans	-107.2	128.3	178.2	-75.7	-172.5	-13.9	0	0	112.5	N54 S59	N54-Q57 HydrophobicContact CB-CB 4.23Å; N54-Q57 PolarHBondContact OD1-N 3.49Å; Q57-S59 PolarHBondContact O-N 3.48Å
58	P	46.2	Very low	55.1	Low	87 Å²	87	67.4 Å²	67.4	57%	0.565	36%	0.36	S	S	*	.			trans	-69.9	116.3	159.7	28.6	-29	0	0	0	107.9	V60	P58-V60 WeakPolarHBondContact O-CG2 3.19Å; P58-V60 PolarHBondContact O-N 3.09Å; P58-V60 VanDerWaalsContact O-N 3.12Å
59	S	43.8	Very low	54.2	Low	50 Å²	50	75.6 Å²	75.6	35%	0.35	39%	0.389	S	S	.	.			trans	-70.4	108.7	-176.3	67.1	0	0	0	0	110.5	Q57 N61	Q57-S59 PolarHBondContact O-N 3.48Å; S59-N61 VanDerWaalsContact C-N 3.27Å; S59-N61 PolarHBondContact O-N 2.74Å; S59-N61 VanDerWaalsContact O-N 3.16Å
60	V	34.8	Very low	53.5	Low	128 Å²	128	75.9 Å²	75.9	78%	0.776	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	3.9	-169.3	-179.6	0	0	0	0	114.8	P58	P58-V60 WeakPolarHBondContact O-CG2 3.19Å; P58-V60 PolarHBondContact O-N 3.09Å; P58-V60 VanDerWaalsContact O-N 3.12Å
61	N	35.9	Very low	53.1	Low	163 Å²	163	75.1 Å²	75.1	87%	0.872	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-152.7	45.6	-177	-91.9	-34	0	0	0	115.5	S59	S59-N61 VanDerWaalsContact C-N 3.27Å; S59-N61 PolarHBondContact O-N 2.74Å; S59-N61 VanDerWaalsContact O-N 3.16Å
62	C	42.1	Very low	52.8	Low	58 Å²	58	81.2 Å²	81.2	39%	0.392	41%	0.409	S	S	.	.			trans	-142.4	130.2	175	-167.1	0	0	0	0	112.6	L64 E65	C62-L64 HydrophobicContact CB-CB 4.41Å; C62-L64 PolarHBondContact O-N 2.82Å; C62-E65 PolarHBondContact O-N 2.86Å; C62-E65 VanDerWaalsContact O-N 3.1Å
63	P	47.7	Very low	52.6	Low	80 Å²	80	82.7 Å²	82.7	52%	0.519	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-11.6	175.3	-22.4	32	0	0	0	115.3	E65 V95	P63-E65 PolarHBondContact O-N 3.44Å; P63-E65 VanDerWaalsContact O-N 3.16Å; P63-V95 HydrophobicContact CB-CB 4.17Å; P63-V95 HydrophobicContact CB-CG1 3.82Å; P63-V95 HydrophobicContact CB-CG2 3.2Å; P63-V95 HydrophobicContact CG-CG1 4.05Å; P63-V95 HydrophobicContact CG-CG2 3.96Å
64	L	50.8	Low	52.4	Low	57 Å²	57	83.6 Å²	83.6	30%	0.298	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-12.5	169.7	-114.8	71.1	0	0	0	114.2	V51 C62 V66 L67 I68	V51-L64 HydrophobicContact CB-CD2 4.2Å; V51-L64 HydrophobicContact CG1-CD2 3.51Å; V51-L64 HydrophobicContact CG1-CG 4.34Å; V51-L64 HydrophobicContact CG2-CD2 3.98Å; V51-L64 HydrophobicContact CG2-CG 4.38Å; C62-L64 HydrophobicContact CB-CB 4.41Å; C62-L64 PolarHBondContact O-N 2.82Å; L64-V66 PolarHBondContact O-N 2.91Å; L64-L67 WeakPolarHBondContact O-CB 3.42Å; L64-L67 PolarHBondContact O-N 3.17Å; L64-I68 HydrophobicContact CB-CD1 4.25Å; L64-I68 WeakPolarHBondContact O-CG1 3.32Å; L64-I68 PolarHBondContact O-N 3.45Å
65	E	50.7	Low	52	Low	117 Å²	117	87.1 Å²	87.1	55%	0.547	45%	0.447	S	S	.	.	H	α-helix	trans	-55.2	-36.7	-177.8	-165.4	178.9	-164.8	0	0	112.4	C62 P63 I68 R69	C62-E65 PolarHBondContact O-N 2.86Å; C62-E65 VanDerWaalsContact O-N 3.1Å; P63-E65 PolarHBondContact O-N 3.44Å; P63-E65 VanDerWaalsContact O-N 3.16Å; E65-I68 PolarHBondContact O-N 3.35Å; E65-R69 VanDerWaalsContact O-CB 3.23Å; E65-R69 WeakPolarHBondContact O-CB 3.34Å; E65-R69 PolarHBondContact O-N 3.48Å
66	V	55.6	Low	51.8	Low	48 Å²	48	89.2 Å²	89.2	29%	0.291	47%	0.467	S	S	.	.	H	α-helix	trans	-66	-44.3	178.2	-160.9	0	0	0	0	111	L64 R69 E70 F88	L64-V66 PolarHBondContact O-N 2.91Å; V66-R69 PolarHBondContact O-N 3.04Å; V66-E70 PolarHBondContact O-N 3.31Å; V66-F88 HydrophobicContact CB-CD2 4.27Å; V66-F88 HydrophobicContact CB-CE2 4.01Å; V66-F88 HydrophobicContact CG1-CD2 3.27Å; V66-F88 HydrophobicContact CG1-CE2 3.42Å; V66-F88 VanDerWaalsContact CG1-CE2 3.42Å; V66-F88 HydrophobicContact CG1-CG 4.43Å
67	L	58.2	Low	51.9	Low	10 Å²	10	88.6 Å²	88.6	5%	0.052	47%	0.465	C	S	.	.	H	α-helix	trans	-59.8	-49.3	173.8	-104.3	152.1	0	0	0	110.9	L64 R69 E70 I71 F88 L92 M113 V132	L64-L67 WeakPolarHBondContact O-CB 3.42Å; L64-L67 PolarHBondContact O-N 3.17Å; L67-R69 VanDerWaalsContact C-N 3.31Å; L67-R69 PolarHBondContact O-N 3.05Å; L67-E70 PolarHBondContact O-N 3.2Å; L67-I71 HydrophobicContact CD2-CD1 4.46Å; L67-I71 WeakPolarHBondContact O-CB 3.38Å; L67-I71 VanDerWaalsContact O-CD1 3.32Å; L67-I71 WeakPolarHBondContact O-CD1 3.47Å; L67-I71 WeakPolarHBondContact O-CG1 3.33Å; L67-I71 PolarHBondContact O-N 2.94Å; L67-F88 HydrophobicContact CG-CZ 4.09Å; L67-L92 HydrophobicContact CD1-CD2 3.69Å; L67-L92 HydrophobicContact CG-CD2 4.44Å; L67-M113 HydrophobicContact CD2-SD 4.44Å; L67-V132 HydrophobicContact CD2-CB 3.98Å; L67-V132 HydrophobicContact CD2-CG1 3.58Å; L67-V132 HydrophobicContact CD2-CG2 3.88Å
68	I	57	Low	52.8	Low	17 Å²	17	87.3 Å²	87.3	9%	0.087	46%	0.459	C	S	.	.	H	α-helix	trans	-63	-38.8	179.5	-66.3	170.7	0	0	0	110.9	V51 L64 E65 I71 R72	V51-I68 HydrophobicContact CG1-CD1 4.39Å; V51-I68 HydrophobicContact CG1-CG1 3.91Å; L64-I68 HydrophobicContact CB-CD1 4.25Å; L64-I68 WeakPolarHBondContact O-CG1 3.32Å; L64-I68 PolarHBondContact O-N 3.45Å; E65-I68 PolarHBondContact O-N 3.35Å; I68-I71 PolarHBondContact O-N 3.42Å; I68-R72 HydrophobicContact CG2-CG 4.33Å; I68-R72 WeakPolarHBondContact O-CB 3.15Å; I68-R72 VanDerWaalsContact O-CG 3.31Å; I68-R72 WeakPolarHBondContact O-CG 3.37Å; I68-R72 PolarHBondContact O-N 2.99Å
69	R	59.2	Low	54.4	Low	179 Å²	179	83.5 Å²	83.5	68%	0.675	43%	0.434	S	S	*	.	H	α-helix	trans	-66.7	-41.9	178.1	-168.7	177.5	-178.2	-176.2	-1	111.8	E65 V66 L67 R72 N73	E65-R69 VanDerWaalsContact O-CB 3.23Å; E65-R69 WeakPolarHBondContact O-CB 3.34Å; E65-R69 PolarHBondContact O-N 3.48Å; V66-R69 PolarHBondContact O-N 3.04Å; L67-R69 VanDerWaalsContact C-N 3.31Å; L67-R69 PolarHBondContact O-N 3.05Å; R69-R72 PolarHBondContact O-N 3.37Å; R69-N73 WeakPolarHBondContact O-CB 3.47Å; R69-N73 VanDerWaalsContact O-CG 3.25Å; R69-N73 PolarHBondContact O-N 3.3Å; R69-N73 PolarHBondContact O-ND2 3.16Å
70	E	59.2	Low	55.9	Low	67 Å²	67	81.9 Å²	81.9	31%	0.313	42%	0.421	S	S	.	.	H	α-helix	trans	-67.1	-37	176.1	-84.1	-58.5	154.4	0	0	113.2	V66 L67 K82 F88 M113	V66-E70 PolarHBondContact O-N 3.31Å; L67-E70 PolarHBondContact O-N 3.2Å; E70-K82 PolarHBondContact O-NZ 2.85Å; E70-K82 IonicContact OE2-NZ 3.87Å; E70-K82 PolarHBondContact OE2-NZ 3.38Å; E70-F88 HydrophobicContact CB-CE2 4.4Å; E70-F88 HydrophobicContact CG-CD2 4.2Å; E70-F88 HydrophobicContact CG-CE2 3.81Å; E70-M113 HydrophobicContact CB-CE 4.09Å
71	I	58.6	Low	58.1	Low	9 Å²	9	78.1 Å²	78.1	5%	0.046	40%	0.398	C	S	.	.	H	α-helix	trans	-66.5	-44.6	173.8	-65.7	162.2	0	0	0	110.4	L67 I68 N73 S74 H130 V132	L67-I71 HydrophobicContact CD2-CD1 4.46Å; L67-I71 WeakPolarHBondContact O-CB 3.38Å; L67-I71 VanDerWaalsContact O-CD1 3.32Å; L67-I71 WeakPolarHBondContact O-CD1 3.47Å; L67-I71 WeakPolarHBondContact O-CG1 3.33Å; L67-I71 PolarHBondContact O-N 2.94Å; I68-I71 PolarHBondContact O-N 3.42Å; I71-N73 VanDerWaalsContact C-N 3.28Å; I71-N73 PolarHBondContact O-N 2.95Å; I71-S74 WeakPolarHBondContact O-CB 3.36Å; I71-S74 PolarHBondContact O-N 3.13Å; I71-S74 VanDerWaalsContact O-N 3.1Å; I71-S74 PolarHBondContact O-OG 3.08Å; I71-H130 HydrophobicContact CD1-CB 4.11Å; I71-H130 HydrophobicContact CG2-CB 4.45Å; I71-H130 WeakPolarHBondContact CG2-CD2 3.4Å; I71-H130 WeakPolarHBondContact CG2-NE2 3.32Å; I71-V132 HydrophobicContact CD1-CG2 3.64Å; I71-V132 HydrophobicContact CG1-CG2 4.33Å
72	R	59.7	Low	60	Low	131 Å²	131	73 Å²	73	49%	0.494	37%	0.368	S	S	.	.	H	α-helix	trans	-65.7	-29.3	178.2	-77.6	179.9	179.7	-177.1	0.6	113.2	N54 I68 R69 S74	N54-R72 PolarHBondContact O-NH2 2.71Å; I68-R72 HydrophobicContact CG2-CG 4.33Å; I68-R72 WeakPolarHBondContact O-CB 3.15Å; I68-R72 VanDerWaalsContact O-CG 3.31Å; I68-R72 WeakPolarHBondContact O-CG 3.37Å; I68-R72 PolarHBondContact O-N 2.99Å; R69-R72 PolarHBondContact O-N 3.37Å; R72-S74 PolarHBondContact O-N 3.5Å
73	N	57.6	Low	61.7	Low	103 Å²	103	76.1 Å²	76.1	55%	0.551	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	10.2	175.2	-70.3	-14.5	0	0	0	113.2	R69 I71	R69-N73 WeakPolarHBondContact O-CB 3.47Å; R69-N73 VanDerWaalsContact O-CG 3.25Å; R69-N73 PolarHBondContact O-N 3.3Å; R69-N73 PolarHBondContact O-ND2 3.16Å; I71-N73 VanDerWaalsContact C-N 3.28Å; I71-N73 PolarHBondContact O-N 2.95Å
74	S	53.9	Low	62.9	Low	32 Å²	32	72.8 Å²	72.8	22%	0.224	36%	0.355	C	S	.	.			trans	-86.6	144.2	-179.6	72.3	0	0	0	0	111.6	I71 R72 N80	I71-S74 WeakPolarHBondContact O-CB 3.36Å; I71-S74 PolarHBondContact O-N 3.13Å; I71-S74 VanDerWaalsContact O-N 3.1Å; I71-S74 PolarHBondContact O-OG 3.08Å; R72-S74 PolarHBondContact O-N 3.5Å; S74-N80 WeakPolarHBondContact CB-ND2 3.39Å; S74-N80 PolarHBondContact OG-ND2 3.05Å
75	T	51.9	Low	63.7	Low	96 Å²	96	74.3 Å²	74.3	59%	0.589	37%	0.367	S	S	*	.			trans	-68.7	165.5	179.6	45.1	0	0	0	0	110.5	Q77	T75-Q77 PolarHBondContact O-N 2.81Å
76	D	55.6	Low	64.5	Low	168 Å²	168	71.6 Å²	71.6	90%	0.898	36%	0.358	S	S	*	.	S	Bend	trans	-57.2	8.7	-179.3	-79.9	-38.3	0	0	0	115.8
77	Q	59.8	Low	65	Low	131 Å²	131	75.5 Å²	75.5	61%	0.612	38%	0.378	S	S	*	.			trans	-70	138.2	177	-64.6	-168.1	-12.1	0	0	111.5	T75 I79 N80	T75-Q77 PolarHBondContact O-N 2.81Å; Q77-I79 PolarHBondContact O-N 3.41Å; Q77-N80 PolarHBondContact O-ND2 3.38Å
78	E	70.7	Confident	65.4	Low	102 Å²	102	75.5 Å²	75.5	48%	0.477	38%	0.377	S	S	.	.	S	Bend	trans	-64.5	-25.3	-178.3	-93.9	-160.7	-159.7	0	0	114.9	F116 Q147 K150	E78-F116 WeakPolarHBondContact O-CB 3.45Å; E78-Q147 PolarHBondContact OE2-NE2 2.82Å; E78-K150 VanDerWaalsContact CB-NZ 3.3Å; E78-K150 VanDerWaalsContact CD-NZ 3.31Å; E78-K150 VanDerWaalsContact CG-NZ 3.33Å; E78-K150 PolarHBondContact O-NZ 3.03Å; E78-K150 VanDerWaalsContact O-NZ 3.09Å; E78-K150 IonicContact OE2-NZ 2.82Å; E78-K150 PolarHBondContact OE2-NZ 3.31Å
79	I	78.8	Confident	65.8	Low	8 Å²	8	75 Å²	75	4%	0.041	37%	0.374	C	S	.	.	S	Bend	trans	-137.2	119.2	177.7	-61.6	176.8	0	0	0	106.7	Q77 V81 I114 F116 L143 A146 Q147 K150	Q77-I79 PolarHBondContact O-N 3.41Å; I79-V81 HydrophobicContact CG2-CG2 4.41Å; I79-I114 HydrophobicContact CG2-CG2 3.71Å; I79-F116 HydrophobicContact CG1-CB 4.15Å; I79-F116 HydrophobicContact CG1-CD1 4.33Å; I79-F116 HydrophobicContact CG2-CD1 4.28Å; I79-L143 HydrophobicContact CB-CD1 4.28Å; I79-L143 HydrophobicContact CG2-CD1 4.28Å; I79-A146 HydrophobicContact CD1-CB 3.93Å; I79-A146 HydrophobicContact CG2-CB 4.09Å; I79-Q147 HydrophobicContact CD1-CB 3.93Å; I79-K150 HydrophobicContact CG1-CD 4.14Å
80	N	76.6	Confident	66	Low	16 Å²	16	69.9 Å²	69.9	9%	0.086	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	121.9	-177.7	-73.7	-59	0	0	0	110.4	S74 Q77 I114 S115	S74-N80 WeakPolarHBondContact CB-ND2 3.39Å; S74-N80 PolarHBondContact OG-ND2 3.05Å; Q77-N80 PolarHBondContact O-ND2 3.38Å; N80-I114 CarbonylContact O-C 3.53Å; N80-I114 VanDerWaalsContact O-CA 3.28Å; N80-I114 WeakPolarHBondContact O-CA 3.48Å; N80-S115 PolarHBondContact N-O 2.93Å; N80-S115 PolarHBondContact O-N 3.24Å
81	V	80.8	Confident	66.2	Low	49 Å²	49	71.5 Å²	71.5	30%	0.297	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	119.9	174.8	-172.5	0	0	0	0	108.5	I79 M113 I114 L138	I79-V81 HydrophobicContact CG2-CG2 4.41Å; V81-M113 CarbonylContact C-O 3.11Å; V81-M113 VanDerWaalsContact CA-O 3.29Å; V81-M113 WeakPolarHBondContact CA-O 3.43Å; V81-I114 HydrophobicContact CG1-CG1 4.35Å; V81-I114 HydrophobicContact CG2-CG1 4.13Å; V81-L138 HydrophobicContact CG1-CD1 3.98Å; V81-L138 HydrophobicContact CG1-CD2 3.89Å
82	K	76.1	Confident	66.4	Low	56 Å²	56	72.3 Å²	72.3	24%	0.243	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144.7	179.6	-74.9	-178	172	179.1	0	110.8	E70 H112 M113	E70-K82 PolarHBondContact O-NZ 2.85Å; E70-K82 IonicContact OE2-NZ 3.87Å; E70-K82 PolarHBondContact OE2-NZ 3.38Å; K82-H112 CarbonylContact O-C 3.51Å; K82-H112 WeakPolarHBondContact O-CA 3.2Å; K82-M113 HydrophobicContact CB-CE 4.34Å; K82-M113 HydrophobicContact CD-CE 4.24Å; K82-M113 PolarHBondContact N-O 3.46Å; K82-M113 PolarHBondContact O-N 3.14Å
83	E	77.6	Confident	66.5	Low	123 Å²	123	66.6 Å²	66.6	58%	0.575	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	135.4	167.5	-163	171.1	-159.8	0	0	109.4
84	V	71.9	Confident	66.5	Low	9 Å²	9	65.5 Å²	65.5	6%	0.055	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-95.4	120.9	-170.7	-170.9	0	0	0	0	109.9	F88 I89 Q111 M113 I134	V84-F88 HydrophobicContact CG1-CB 4.09Å; V84-F88 HydrophobicContact CG1-CD1 3.17Å; V84-F88 HydrophobicContact CG1-CE1 3.8Å; V84-F88 HydrophobicContact CG1-CG 3.98Å; V84-I89 HydrophobicContact CB-CG1 4.41Å; V84-I89 HydrophobicContact CG1-CD1 4.41Å; V84-I89 HydrophobicContact CG1-CG1 3.71Å; V84-Q111 HydrophobicContact CB-CB 4.37Å; V84-Q111 PolarHBondContact N-O 3.12Å; V84-M113 HydrophobicContact CG2-CB 3.55Å; V84-I134 HydrophobicContact CG2-CG2 4.33Å
85	T	69.1	Low	66.4	Low	90 Å²	90	65.9 Å²	65.9	55%	0.552	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-68.8	147.4	179.3	65	0	0	0	0	112.1	N87 F88 I89	T85-N87 PolarHBondContact O-N 2.91Å; T85-F88 WeakPolarHBondContact O-CA 3.18Å; T85-F88 WeakPolarHBondContact O-CB 3.48Å; T85-F88 PolarHBondContact O-N 3.29Å; T85-F88 WeakPolarHBondContact OG1-CB 3.5Å; T85-F88 PolarHBondContact OG1-N 3.29Å; T85-I89 PolarHBondContact O-N 2.99Å; T85-I89 VanDerWaalsContact O-N 3.09Å
86	T	67.6	Low	66.4	Low	60 Å²	60	62.1 Å²	62.1	37%	0.368	33%	0.334	S	S	.	.	H	α-helix	trans	-57.3	-34	178.9	-32.7	0	0	0	0	112.5	I89 T90 N109	T86-I89 PolarHBondContact O-N 2.78Å; T86-T90 PolarHBondContact O-N 3.11Å; T86-T90 PolarHBondContact O-OG1 2.95Å; T86-N109 PolarHBondContact OG1-OD1 2.9Å
87	N	65.7	Low	66.1	Low	130 Å²	130	60.9 Å²	60.9	70%	0.695	32%	0.32	S	S	*	.	H	α-helix	trans	-62.5	-41.5	174	-80.2	-11.9	0	0	0	112.3	T85 T90 Q91	T85-N87 PolarHBondContact O-N 2.91Å; N87-T90 PolarHBondContact O-N 2.84Å; N87-Q91 WeakPolarHBondContact O-CG 3.44Å; N87-Q91 PolarHBondContact O-N 3.1Å
88	F	66.9	Low	65.5	Low	10 Å²	10	59.2 Å²	59.2	4%	0.044	32%	0.323	C	S	.	.	H	α-helix	trans	-67.4	-42.2	177.7	-177.9	-89.5	0	0	0	111.6	V66 L67 E70 V84 T85 T90 Q91 L92 M113 I134	V66-F88 HydrophobicContact CB-CD2 4.27Å; V66-F88 HydrophobicContact CB-CE2 4.01Å; V66-F88 HydrophobicContact CG1-CD2 3.27Å; V66-F88 HydrophobicContact CG1-CE2 3.42Å; V66-F88 VanDerWaalsContact CG1-CE2 3.42Å; V66-F88 HydrophobicContact CG1-CG 4.43Å; L67-F88 HydrophobicContact CG-CZ 4.09Å; E70-F88 HydrophobicContact CB-CE2 4.4Å; E70-F88 HydrophobicContact CG-CD2 4.2Å; E70-F88 HydrophobicContact CG-CE2 3.81Å; V84-F88 HydrophobicContact CG1-CB 4.09Å; V84-F88 HydrophobicContact CG1-CD1 3.17Å; V84-F88 HydrophobicContact CG1-CE1 3.8Å; V84-F88 HydrophobicContact CG1-CG 3.98Å; T85-F88 WeakPolarHBondContact O-CA 3.18Å; T85-F88 WeakPolarHBondContact O-CB 3.48Å; T85-F88 PolarHBondContact O-N 3.29Å; T85-F88 WeakPolarHBondContact OG1-CB 3.5Å; T85-F88 PolarHBondContact OG1-N 3.29Å; F88-T90 VanDerWaalsContact C-N 3.32Å; F88-T90 PolarHBondContact O-N 3.09Å; F88-Q91 PolarHBondContact O-N 3Å; F88-L92 HydrophobicContact CD1-CD1 3.51Å; F88-L92 HydrophobicContact CD1-CG 4.24Å; F88-L92 HydrophobicContact CE1-CD1 3.18Å; F88-L92 HydrophobicContact CE1-CG 4.05Å; F88-L92 HydrophobicContact CZ-CD1 3.98Å; F88-L92 HydrophobicContact CZ-CG 4.49Å; F88-L92 PolarHBondContact O-N 2.64Å; F88-M113 HydrophobicContact CZ-SD 4.32Å; F88-I134 HydrophobicContact CE1-CD1 4.43Å
89	I	64.6	Low	64.3	Low	5 Å²	5	61 Å²	61	3%	0.026	33%	0.331	C	S	.	.	H	α-helix	trans	-58.8	-46.9	174.5	-61.3	174	0	0	0	109.9	V84 T85 T86 Q91 L92 T93 L106 Q111	V84-I89 HydrophobicContact CB-CG1 4.41Å; V84-I89 HydrophobicContact CG1-CD1 4.41Å; V84-I89 HydrophobicContact CG1-CG1 3.71Å; T85-I89 PolarHBondContact O-N 2.99Å; T85-I89 VanDerWaalsContact O-N 3.09Å; T86-I89 PolarHBondContact O-N 2.78Å; I89-Q91 VanDerWaalsContact C-N 3.3Å; I89-Q91 PolarHBondContact O-N 2.81Å; I89-L92 PolarHBondContact O-N 3.41Å; I89-L92 VanDerWaalsContact O-N 3.16Å; I89-T93 WeakPolarHBondContact O-CB 3.44Å; I89-T93 PolarHBondContact O-N 2.93Å; I89-T93 PolarHBondContact O-OG1 3.26Å; I89-L106 HydrophobicContact CG2-CD2 3.94Å; I89-Q111 HydrophobicContact CD1-CB 4.21Å; I89-Q111 HydrophobicContact CD1-CG 4.13Å; I89-Q111 VanDerWaalsContact CD1-OE1 3.27Å
90	T	63.9	Low	62.5	Low	72 Å²	72	68.2 Å²	68.2	44%	0.442	37%	0.37	S	S	.	.	H	α-helix	trans	-60.9	-39.5	-179.4	-49.3	0	0	0	0	111.8	T86 N87 F88 S94	T86-T90 PolarHBondContact O-N 3.11Å; T86-T90 PolarHBondContact O-OG1 2.95Å; N87-T90 PolarHBondContact O-N 2.84Å; F88-T90 VanDerWaalsContact C-N 3.32Å; F88-T90 PolarHBondContact O-N 3.09Å; T90-S94 PolarHBondContact O-N 3.25Å
91	Q	63.8	Low	61	Low	101 Å²	101	72.4 Å²	72.4	47%	0.472	39%	0.389	S	S	.	.	H	α-helix	trans	-64.8	-48	174.1	-75.8	179.5	-15.2	0	0	111.5	N87 F88 I89 T93 S94 V95	N87-Q91 WeakPolarHBondContact O-CG 3.44Å; N87-Q91 PolarHBondContact O-N 3.1Å; F88-Q91 PolarHBondContact O-N 3Å; I89-Q91 VanDerWaalsContact C-N 3.3Å; I89-Q91 PolarHBondContact O-N 2.81Å; Q91-T93 VanDerWaalsContact C-N 3.33Å; Q91-T93 PolarHBondContact O-N 3.21Å; Q91-S94 WeakPolarHBondContact O-CB 3.42Å; Q91-S94 PolarHBondContact O-N 3.35Å; Q91-S94 VanDerWaalsContact O-N 3.17Å; Q91-S94 PolarHBondContact O-OG 2.98Å; Q91-V95 WeakPolarHBondContact O-CG2 3.41Å; Q91-V95 PolarHBondContact O-N 3.41Å
92	L	62.3	Low	59.3	Low	27 Å²	27	75.1 Å²	75.1	14%	0.141	41%	0.408	C	S	.	.	H	α-helix	trans	-59.3	-42.1	176.4	-81.5	169.5	0	0	0	112.8	L67 F88 I89 S94 V95 S96 I134	L67-L92 HydrophobicContact CD1-CD2 3.69Å; L67-L92 HydrophobicContact CG-CD2 4.44Å; F88-L92 HydrophobicContact CD1-CD1 3.51Å; F88-L92 HydrophobicContact CD1-CG 4.24Å; F88-L92 HydrophobicContact CE1-CD1 3.18Å; F88-L92 HydrophobicContact CE1-CG 4.05Å; F88-L92 HydrophobicContact CZ-CD1 3.98Å; F88-L92 HydrophobicContact CZ-CG 4.49Å; F88-L92 PolarHBondContact O-N 2.64Å; I89-L92 PolarHBondContact O-N 3.41Å; I89-L92 VanDerWaalsContact O-N 3.16Å; L92-S94 VanDerWaalsContact C-N 3.26Å; L92-S94 PolarHBondContact O-N 3.45Å; L92-V95 WeakPolarHBondContact O-CB 3.31Å; L92-V95 PolarHBondContact O-N 3.08Å; L92-S96 PolarHBondContact O-N 3.34Å; L92-S96 VanDerWaalsContact O-N 3.09Å; L92-I134 HydrophobicContact CD1-CD1 3.4Å; L92-I134 VanDerWaalsContact CD1-CD1 3.4Å
93	T	60.3	Low	57.9	Low	10 Å²	10	80.1 Å²	80.1	6%	0.061	44%	0.437	C	S	.	.	H	α-helix	trans	-62.9	-32.7	178.1	-57.7	0	0	0	0	112.4	I89 Q91 V95 S96 K97 F104	I89-T93 WeakPolarHBondContact O-CB 3.44Å; I89-T93 PolarHBondContact O-N 2.93Å; I89-T93 PolarHBondContact O-OG1 3.26Å; Q91-T93 VanDerWaalsContact C-N 3.33Å; Q91-T93 PolarHBondContact O-N 3.21Å; T93-V95 PolarHBondContact O-N 2.91Å; T93-S96 WeakPolarHBondContact CA-OG 2.96Å; T93-S96 PolarHBondContact O-OG 2.93Å; T93-K97 WeakPolarHBondContact O-CG 3.47Å; T93-K97 PolarHBondContact O-N 3.47Å; T93-F104 HydrophobicContact CG2-CB 4.05Å; T93-F104 HydrophobicContact CG2-CD2 3.32Å; T93-F104 HydrophobicContact CG2-CE2 4.07Å; T93-F104 HydrophobicContact CG2-CG 3.8Å; T93-F104 WeakPolarHBondContact OG1-CG 3.47Å
94	S	57.6	Low	56.7	Low	80 Å²	80	76.7 Å²	76.7	56%	0.559	42%	0.42	S	S	*	.	H	α-helix	trans	-65.1	-30.8	174.9	77.1	0	0	0	0	112.3	T90 Q91 L92	T90-S94 PolarHBondContact O-N 3.25Å; Q91-S94 WeakPolarHBondContact O-CB 3.42Å; Q91-S94 PolarHBondContact O-N 3.35Å; Q91-S94 VanDerWaalsContact O-N 3.17Å; Q91-S94 PolarHBondContact O-OG 2.98Å; L92-S94 VanDerWaalsContact C-N 3.26Å; L92-S94 PolarHBondContact O-N 3.45Å
95	V	52.8	Low	55.9	Low	40 Å²	40	80.9 Å²	80.9	24%	0.242	44%	0.443	C	S	.	.	H	α-helix	trans	-77	-46	179.1	-175.3	0	0	0	0	110.9	P63 Q91 L92 T93 K97 S98	P63-V95 HydrophobicContact CB-CB 4.17Å; P63-V95 HydrophobicContact CB-CG1 3.82Å; P63-V95 HydrophobicContact CB-CG2 3.2Å; P63-V95 HydrophobicContact CG-CG1 4.05Å; P63-V95 HydrophobicContact CG-CG2 3.96Å; Q91-V95 WeakPolarHBondContact O-CG2 3.41Å; Q91-V95 PolarHBondContact O-N 3.41Å; L92-V95 WeakPolarHBondContact O-CB 3.31Å; L92-V95 PolarHBondContact O-N 3.08Å; T93-V95 PolarHBondContact O-N 2.91Å; V95-K97 VanDerWaalsContact C-N 3.31Å; V95-K97 PolarHBondContact O-N 3.34Å; V95-S98 WeakPolarHBondContact O-CB 3.34Å; V95-S98 PolarHBondContact O-N 3.43Å; V95-S98 VanDerWaalsContact O-N 3.11Å; V95-S98 PolarHBondContact O-OG 3.24Å
96	S	52.3	Low	55.1	Low	17 Å²	17	80.6 Å²	80.6	12%	0.119	44%	0.438	C	S	.	.	H	α-helix	trans	-67.5	-28.7	-179.3	61.1	0	0	0	0	113.3	L92 T93 S98 Q99 N100 F104	L92-S96 PolarHBondContact O-N 3.34Å; L92-S96 VanDerWaalsContact O-N 3.09Å; T93-S96 WeakPolarHBondContact CA-OG 2.96Å; T93-S96 PolarHBondContact O-OG 2.93Å; S96-S98 PolarHBondContact O-N 2.92Å; S96-Q99 CarbonylContact O-C 3.59Å; S96-Q99 WeakPolarHBondContact O-CA 3.5Å; S96-Q99 PolarHBondContact O-N 2.96Å; S96-N100 PolarHBondContact O-N 2.96Å; S96-F104 VanDerWaalsContact CB-CZ 3.41Å; S96-F104 WeakPolarHBondContact OG-CE2 3.17Å; S96-F104 WeakPolarHBondContact OG-CZ 3.38Å
97	K	48.2	Very low	54.7	Low	142 Å²	142	83.2 Å²	83.2	62%	0.617	45%	0.453	S	S	*	.	H	α-helix	trans	-60.3	-29.9	171.6	-81.8	-175.9	178.6	-178.9	0	112.8	T93 V95 Q99	T93-K97 WeakPolarHBondContact O-CG 3.47Å; T93-K97 PolarHBondContact O-N 3.47Å; V95-K97 VanDerWaalsContact C-N 3.31Å; V95-K97 PolarHBondContact O-N 3.34Å; K97-Q99 PolarHBondContact O-N 2.66Å
98	S	47.8	Very low	54.4	Low	96 Å²	96	79.7 Å²	79.7	67%	0.671	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-14.5	172.8	75.4	0	0	0	0	113.4	V95 S96	V95-S98 WeakPolarHBondContact O-CB 3.34Å; V95-S98 PolarHBondContact O-N 3.43Å; V95-S98 VanDerWaalsContact O-N 3.11Å; V95-S98 PolarHBondContact O-OG 3.24Å; S96-S98 PolarHBondContact O-N 2.92Å
99	Q	44.6	Very low	54.1	Low	139 Å²	139	83.6 Å²	83.6	65%	0.65	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	15.4	-177.5	-63.3	-162.9	-7	0	0	114.2	S96 K97 Q101	S96-Q99 CarbonylContact O-C 3.59Å; S96-Q99 WeakPolarHBondContact O-CA 3.5Å; S96-Q99 PolarHBondContact O-N 2.96Å; K97-Q99 PolarHBondContact O-N 2.66Å; Q99-Q101 VanDerWaalsContact C-N 3.3Å; Q99-Q101 PolarHBondContact O-N 3.41Å
100	N	42.7	Very low	54.3	Low	161 Å²	161	88.1 Å²	88.1	86%	0.861	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	43.5	177.9	-85.8	-14.1	0	0	0	114	S96	S96-N100 PolarHBondContact O-N 2.96Å
101	Q	44.9	Very low	54.9	Low	104 Å²	104	85.1 Å²	85.1	49%	0.486	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-100.9	152.9	172.5	-83.3	-156.5	-3.1	0	0	112.5	Q99	Q99-Q101 VanDerWaalsContact C-N 3.3Å; Q99-Q101 PolarHBondContact O-N 3.41Å
102	P	44.3	Very low	55.9	Low	106 Å²	106	82.4 Å²	82.4	69%	0.688	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-69.7	158.1	-158	26.9	-33.8	0	0	0	114.5	F104	P102-F104 WeakPolarHBondContact O-CD2 3.41Å; P102-F104 WeakPolarHBondContact O-CE2 3.38Å; P102-F104 PolarHBondContact O-N 3.44Å
103	N	46.2	Very low	56.8	Low	161 Å²	161	81.3 Å²	81.3	86%	0.861	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-54.8	119.4	-172.5	-74.8	-30.7	0	0	0	113.5
104	F	52.3	Low	57.9	Low	50 Å²	50	80.9 Å²	80.9	22%	0.219	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-76.7	132.5	178.5	-59.8	-91.8	0	0	0	111	W46 T93 S96 P102 L106	W46-F104 HydrophobicContact CE3-CD1 4.24Å; W46-F104 AromaticContact CE3-CE1 3.87Å; W46-F104 HydrophobicContact CE3-CE1 3.87Å; W46-F104 HydrophobicContact CH2-CD1 4.07Å; W46-F104 HydrophobicContact CH2-CE1 4.09Å; W46-F104 AromaticContact CZ3-CD1 3.74Å; W46-F104 HydrophobicContact CZ3-CD1 3.74Å; W46-F104 AromaticContact CZ3-CE1 3.36Å; W46-F104 HydrophobicContact CZ3-CE1 3.36Å; T93-F104 HydrophobicContact CG2-CB 4.05Å; T93-F104 HydrophobicContact CG2-CD2 3.32Å; T93-F104 HydrophobicContact CG2-CE2 4.07Å; T93-F104 HydrophobicContact CG2-CG 3.8Å; T93-F104 WeakPolarHBondContact OG1-CG 3.47Å; S96-F104 VanDerWaalsContact CB-CZ 3.41Å; S96-F104 WeakPolarHBondContact OG-CE2 3.17Å; S96-F104 WeakPolarHBondContact OG-CZ 3.38Å; P102-F104 WeakPolarHBondContact O-CD2 3.41Å; P102-F104 WeakPolarHBondContact O-CE2 3.38Å; P102-F104 PolarHBondContact O-N 3.44Å; F104-L106 PolarHBondContact O-N 3.48Å
105	D	55.1	Low	59.1	Low	98 Å²	98	77.1 Å²	77.1	52%	0.524	41%	0.414	S	S	.	.			trans	-80.6	96.3	170.3	-167.9	-5.7	0	0	0	109.8	T107	D105-T107 PolarHBondContact O-N 3.32Å; D105-T107 WeakPolarHBondContact OD1-CB 3.39Å; D105-T107 WeakPolarHBondContact OD1-CG2 3.39Å; D105-T107 PolarHBondContact OD1-N 2.98Å; D105-T107 VanDerWaalsContact OD1-N 3.08Å; D105-T107 PolarHBondContact OD1-OG1 2.91Å; D105-T107 PolarHBondContact OD2-OG1 2.98Å
106	L	53.9	Low	60.4	Low	84 Å²	84	75.3 Å²	75.3	44%	0.44	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-3.1	179.3	-70.1	162.2	0	0	0	113	I89 F104	I89-L106 HydrophobicContact CG2-CD2 3.94Å; F104-L106 PolarHBondContact O-N 3.48Å
107	T	57.6	Low	61.6	Low	114 Å²	114	76.3 Å²	76.3	70%	0.699	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-18	-174	68.1	0	0	0	0	114	D105 N109	D105-T107 PolarHBondContact O-N 3.32Å; D105-T107 WeakPolarHBondContact OD1-CB 3.39Å; D105-T107 WeakPolarHBondContact OD1-CG2 3.39Å; D105-T107 PolarHBondContact OD1-N 2.98Å; D105-T107 VanDerWaalsContact OD1-N 3.08Å; D105-T107 PolarHBondContact OD1-OG1 2.91Å; D105-T107 PolarHBondContact OD2-OG1 2.98Å; T107-N109 PolarHBondContact O-N 3.44Å
108	N	60.4	Low	62.8	Low	57 Å²	57	69.9 Å²	69.9	31%	0.305	38%	0.378	S	S	.	.			trans	-90	104.3	-176.9	-168.6	-2.1	0	0	0	111.6	N110	N108-N110 VanDerWaalsContact C-N 3.31Å; N108-N110 PolarHBondContact O-N 2.79Å; N108-N110 PolarHBondContact OD1-N 2.86Å
109	N	60.1	Low	63.8	Low	92 Å²	92	65.9 Å²	65.9	49%	0.492	35%	0.349	S	S	.	.			trans	-77.6	-7.9	-179.9	-76.4	-23.2	0	0	0	114.5	T86 T107 Q111	T86-N109 PolarHBondContact OG1-OD1 2.9Å; T107-N109 PolarHBondContact O-N 3.44Å; N109-Q111 PolarHBondContact O-N 3.18Å
110	N	69.1	Low	64.5	Low	99 Å²	99	64.3 Å²	64.3	53%	0.529	34%	0.34	S	S	.	.			trans	-101.6	37.4	-172.4	-70.2	4.8	0	0	0	113.3	N108 H112	N108-N110 VanDerWaalsContact C-N 3.31Å; N108-N110 PolarHBondContact O-N 2.79Å; N108-N110 PolarHBondContact OD1-N 2.86Å; N110-H112 PolarHBondContact O-CE1 3.35Å; N110-H112 VanDerWaalsContact O-CE1 3.22Å; N110-H112 PolarHBondContact O-ND1 3.14Å
111	Q	76.7	Confident	65.1	Low	9 Å²	9	64.1 Å²	64.1	4%	0.042	34%	0.339	C	S	.	.			trans	-82.8	144.1	179.8	-61.7	-174.6	11	0	0	111.5	W46 V84 I89 N109 L135	W46-Q111 VanDerWaalsContact CZ2-OE1 3.23Å; V84-Q111 HydrophobicContact CB-CB 4.37Å; V84-Q111 PolarHBondContact N-O 3.12Å; I89-Q111 HydrophobicContact CD1-CB 4.21Å; I89-Q111 HydrophobicContact CD1-CG 4.13Å; I89-Q111 VanDerWaalsContact CD1-OE1 3.27Å; N109-Q111 PolarHBondContact O-N 3.18Å; Q111-L135 WeakPolarHBondContact CA-O 3.35Å
112	H	83.7	Confident	65.6	Low	44 Å²	44	61.5 Å²	61.5	20%	0.204	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	132.8	-175.3	-64.8	70.8	0	0	0	110.3	K82 N110 L135 L138	K82-H112 CarbonylContact O-C 3.51Å; K82-H112 WeakPolarHBondContact O-CA 3.2Å; N110-H112 PolarHBondContact O-CE1 3.35Å; N110-H112 VanDerWaalsContact O-CE1 3.22Å; N110-H112 PolarHBondContact O-ND1 3.14Å; H112-L135 PolarHBondContact N-O 2.61Å; H112-L135 PolarHBondContact O-N 2.94Å; H112-L138 HydrophobicContact CB-CB 4.34Å; H112-L138 HydrophobicContact CB-CD1 4.14Å
113	M	81.9	Confident	65.9	Low	5 Å²	5	65.1 Å²	65.1	3%	0.025	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.8	172.7	178.9	179.2	74	0	0	109.4	L67 E70 V81 K82 V84 F88 V132 M133	L67-M113 HydrophobicContact CD2-SD 4.44Å; E70-M113 HydrophobicContact CB-CE 4.09Å; V81-M113 CarbonylContact C-O 3.11Å; V81-M113 VanDerWaalsContact CA-O 3.29Å; V81-M113 WeakPolarHBondContact CA-O 3.43Å; K82-M113 HydrophobicContact CB-CE 4.34Å; K82-M113 HydrophobicContact CD-CE 4.24Å; K82-M113 PolarHBondContact N-O 3.46Å; K82-M113 PolarHBondContact O-N 3.14Å; V84-M113 HydrophobicContact CG2-CB 3.55Å; F88-M113 HydrophobicContact CZ-SD 4.32Å; M113-V132 HydrophobicContact CG-CG1 3.67Å; M113-V132 HydrophobicContact SD-CG1 3.8Å; M113-M133 CarbonylContact C-O 3.38Å; M113-M133 VanDerWaalsContact CA-O 3.26Å; M113-M133 WeakPolarHBondContact CA-O 3.29Å
114	I	84.6	Confident	66	Low	0 Å²	0	65 Å²	65	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129.3	167.5	-56.1	-172.3	0	0	0	107.9	F42 I79 N80 V81 F116 V132 M133 L135 L138 H142 A146	F42-I114 HydrophobicContact CE1-CD1 4.3Å; F42-I114 HydrophobicContact CZ-CD1 4.44Å; I79-I114 HydrophobicContact CG2-CG2 3.71Å; N80-I114 CarbonylContact O-C 3.53Å; N80-I114 VanDerWaalsContact O-CA 3.28Å; N80-I114 WeakPolarHBondContact O-CA 3.48Å; V81-I114 HydrophobicContact CG1-CG1 4.35Å; V81-I114 HydrophobicContact CG2-CG1 4.13Å; I114-F116 HydrophobicContact CG2-CD1 4.16Å; I114-F116 HydrophobicContact CG2-CE1 4.27Å; I114-V132 CarbonylContact O-C 3.51Å; I114-V132 WeakPolarHBondContact O-CA 3.33Å; I114-M133 HydrophobicContact CB-CB 4.49Å; I114-M133 HydrophobicContact CB-CE 3.84Å; I114-M133 HydrophobicContact CD1-CE 4.32Å; I114-M133 HydrophobicContact CG2-CE 3.78Å; I114-M133 PolarHBondContact N-O 3.02Å; I114-M133 PolarHBondContact O-N 3.35Å; I114-L135 HydrophobicContact CD1-CD1 3.5Å; I114-L135 VanDerWaalsContact CD1-CD1 3.5Å; I114-L135 HydrophobicContact CG1-CD1 3.77Å; I114-L138 HydrophobicContact CD1-CD1 3.74Å; I114-L138 HydrophobicContact CG1-CD1 4.09Å; I114-H142 HydrophobicContact CD1-CB 4.49Å; I114-A146 HydrophobicContact CG2-CB 4.18Å
115	S	81.3	Confident	66.2	Low	2 Å²	2	63.9 Å²	63.9	1%	0.014	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	146.8	174.2	60	0	0	0	0	111.9	N80 F131	N80-S115 PolarHBondContact N-O 2.93Å; N80-S115 PolarHBondContact O-N 3.24Å; S115-F131 VanDerWaalsContact CA-O 3.24Å; S115-F131 WeakPolarHBondContact CA-O 2.91Å
116	F	80.9	Confident	66.4	Low	2 Å²	2	64.5 Å²	64.5	1%	0.009	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	148.1	174.8	43.8	-98.9	0	0	0	111.6	E78 I79 I114 L118 H130 F131 M133 L149 K150 L153	E78-F116 WeakPolarHBondContact O-CB 3.45Å; I79-F116 HydrophobicContact CG1-CB 4.15Å; I79-F116 HydrophobicContact CG1-CD1 4.33Å; I79-F116 HydrophobicContact CG2-CD1 4.28Å; I114-F116 HydrophobicContact CG2-CD1 4.16Å; I114-F116 HydrophobicContact CG2-CE1 4.27Å; F116-L118 HydrophobicContact CD2-CD2 3.81Å; F116-L118 HydrophobicContact CE2-CD2 3.81Å; F116-H130 WeakPolarHBondContact O-CA 3.49Å; F116-F131 HydrophobicContact CD2-CB 4.03Å; F116-F131 HydrophobicContact CE2-CB 3.61Å; F116-F131 HydrophobicContact CE2-CD1 4.04Å; F116-F131 HydrophobicContact CE2-CG 4.19Å; F116-F131 HydrophobicContact CZ-CB 4.15Å; F116-F131 AromaticContact CZ-CD1 3.74Å; F116-F131 HydrophobicContact CZ-CD1 3.74Å; F116-F131 HydrophobicContact CZ-CG 4.34Å; F116-F131 PolarHBondContact N-O 3.39Å; F116-F131 PolarHBondContact O-N 3.03Å; F116-M133 HydrophobicContact CE1-CE 3.89Å; F116-M133 HydrophobicContact CZ-CE 4.47Å; F116-L149 HydrophobicContact CZ-CB 4.43Å; F116-L149 HydrophobicContact CZ-CD2 4.2Å; F116-L149 HydrophobicContact CZ-CG 4.17Å; F116-K150 HydrophobicContact CB-CD 3.98Å; F116-K150 HydrophobicContact CB-CG 4.3Å; F116-K150 HydrophobicContact CD1-CB 4.37Å; F116-K150 HydrophobicContact CD2-CB 3.6Å; F116-K150 HydrophobicContact CD2-CD 4.23Å; F116-K150 HydrophobicContact CD2-CG 3.6Å; F116-K150 HydrophobicContact CE1-CB 4.43Å; F116-K150 VanDerWaalsContact CE2-CA 3.49Å; F116-K150 HydrophobicContact CE2-CB 3.66Å; F116-K150 HydrophobicContact CE2-CG 4.11Å; F116-K150 HydrophobicContact CG-CB 3.98Å; F116-K150 HydrophobicContact CG-CD 4.18Å; F116-K150 HydrophobicContact CG-CG 4.03Å; F116-K150 HydrophobicContact CZ-CB 4.09Å; F116-L153 HydrophobicContact CE2-CD1 4.23Å; F116-L153 HydrophobicContact CZ-CD1 4.47Å
117	E	77.3	Confident	66.7	Low	37 Å²	37	66.2 Å²	66.2	17%	0.173	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	136.6	176.2	-174.4	174.5	-179.2	0	0	110.4	R55 K120 V128 K150	R55-E117 IonicContact NH2-OE1 2.74Å; R55-E117 PolarHBondContact NH2-OE1 3.28Å; E117-K120 VanDerWaalsContact CD-CG 3.46Å; E117-K120 HydrophobicContact CG-CG 4.13Å; E117-K120 WeakPolarHBondContact OE1-CA 3.46Å; E117-K120 VanDerWaalsContact OE2-CG 3.31Å; E117-K120 WeakPolarHBondContact OE2-CG 3.48Å; E117-V128 VanDerWaalsContact CD-CG1 3.49Å; E117-V128 HydrophobicContact CG-CG1 3.52Å; E117-V128 WeakPolarHBondContact OE1-CG1 3.3Å; E117-K150 WeakPolarHBondContact O-CE 3.41Å
118	L	73.4	Confident	67.1	Low	8 Å²	8	61.1 Å²	61.1	4%	0.042	30%	0.296	C	S	.	.	S	Bend	trans	-99.7	-21.1	-178.4	-62.9	-179	0	0	0	113.6	L50 F116 A129 F131 L153 S154 L157	L50-L118 HydrophobicContact CD1-CD1 3.62Å; F116-L118 HydrophobicContact CD2-CD2 3.81Å; F116-L118 HydrophobicContact CE2-CD2 3.81Å; L118-A129 PolarHBondContact N-O 3.48Å; L118-F131 HydrophobicContact CD1-CB 4.24Å; L118-F131 HydrophobicContact CD2-CB 4.49Å; L118-F131 HydrophobicContact CG-CB 4.38Å; L118-L153 HydrophobicContact CD1-CB 4.03Å; L118-L153 HydrophobicContact CD2-CB 3.58Å; L118-L153 HydrophobicContact CG-CB 4.49Å; L118-S154 WeakPolarHBondContact CD2-OG 3.32Å; L118-S154 WeakPolarHBondContact O-CB 3.41Å; L118-S154 PolarHBondContact O-OG 2.91Å; L118-L157 HydrophobicContact CB-CD2 3.55Å; L118-L157 HydrophobicContact CD1-CD2 4.17Å
119	N	68.2	Low	67.5	Low	12 Å²	12	58.6 Å²	58.6	6%	0.064	28%	0.284	C	S	.	.			trans	-133.8	51.5	-170.5	71.6	-34	0	0	0	114.4	D121 Y127 A129 L157	N119-D121 PolarHBondContact O-N 3.5Å; N119-D121 VanDerWaalsContact O-N 3.16Å; N119-Y127 PolarHBondContact ND2-O 3.2Å; N119-A129 PolarHBondContact OD1-N 2.98Å; N119-L157 HydrophobicContact CB-CD2 4Å
120	K	60.1	Low	68.2	Low	105 Å²	105	55.5 Å²	55.5	46%	0.457	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-38.6	179.9	-97.1	-171.8	173.1	-176.1	0	114.3	E117	E117-K120 VanDerWaalsContact CD-CG 3.46Å; E117-K120 HydrophobicContact CG-CG 4.13Å; E117-K120 WeakPolarHBondContact OE1-CA 3.46Å; E117-K120 VanDerWaalsContact OE2-CG 3.31Å; E117-K120 WeakPolarHBondContact OE2-CG 3.48Å
121	D	55.9	Low	68.7	Low	158 Å²	158	50.8 Å²	50.8	85%	0.845	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	21	-166.1	-59	-37.9	0	0	0	115	N119 E123	N119-D121 PolarHBondContact O-N 3.5Å; N119-D121 VanDerWaalsContact O-N 3.16Å; D121-E123 PolarHBondContact O-N 3.33Å
122	N	53.9	Low	68.8	Low	49 Å²	49	50.5 Å²	50.5	26%	0.262	24%	0.24	S	C	.	.			trans	-75.3	111.8	-179.1	-154.4	9.5	0	0	0	111	Y124 G125	N122-Y124 PolarHBondContact O-N 3.08Å; N122-Y124 VanDerWaalsContact O-N 3.14Å; N122-G125 PolarHBondContact O-N 3.1Å
123	E	51	Low	68.8	Low	181 Å²	181	48.4 Å²	48.4	85%	0.846	23%	0.23	S	C	*	.	S	Bend	trans	-58.6	-24.6	179.5	-72.5	-176	157.1	0	0	113.1	D121 G125	D121-E123 PolarHBondContact O-N 3.33Å; E123-G125 PolarHBondContact O-N 3.37Å
124	Y	49.6	Very low	68.8	Low	160 Å²	160	48.1 Å²	48.1	63%	0.627	23%	0.229	S	C	*	.	S	Bend	trans	-92.6	68.3	173.4	-58.3	-81.7	0	0	0	109.9	N122 E126	N122-Y124 PolarHBondContact O-N 3.08Å; N122-Y124 VanDerWaalsContact O-N 3.14Å; Y124-E126 PolarHBondContact O-N 2.79Å
125	G	54.8	Low	68.7	Low	25 Å²	25	48.1 Å²	48.1	26%	0.258	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	22.7	-164	0	0	0	0	0	118.5	R55 N122 E123	R55-G125 VanDerWaalsContact CD-O 3.3Å; R55-G125 WeakPolarHBondContact CD-O 3.32Å; N122-G125 PolarHBondContact O-N 3.1Å; E123-G125 PolarHBondContact O-N 3.37Å
126	E	59.3	Low	68.6	Low	111 Å²	111	52.8 Å²	52.8	52%	0.519	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-32.6	-179.5	-70.9	-165.8	166.2	0	0	113.5	N54 R55 Y124	N54-E126 CarbonylContact C-O 3.42Å; N54-E126 WeakPolarHBondContact CA-O 3.08Å; N54-E126 PolarHBondContact OD1-O 2.88Å; R55-E126 PolarHBondContact N-O 3.29Å; Y124-E126 PolarHBondContact O-N 2.79Å
127	Y	60.8	Low	68.4	Low	120 Å²	120	55.7 Å²	55.7	47%	0.471	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	136.5	-174.8	-64.4	-87.7	0	0	0	113.6	I52 S53 N54 N119	I52-Y127 HydrophobicContact CG2-CD1 4.17Å; S53-Y127 CarbonylContact O-C 3.59Å; S53-Y127 WeakPolarHBondContact O-CA 3.47Å; N54-Y127 HydrophobicContact CB-CD1 3.94Å; N54-Y127 HydrophobicContact CB-CE1 3.69Å; N54-Y127 PolarHBondContact ND2-OH 3.47Å; N119-Y127 PolarHBondContact ND2-O 3.2Å
128	V	65.5	Low	68.3	Low	7 Å²	7	56.2 Å²	56.2	4%	0.042	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.4	176.3	-170.4	0	0	0	0	110.6	I52 S53 R55 E117 H130	I52-V128 WeakPolarHBondContact CA-O 3.12Å; S53-V128 PolarHBondContact N-O 3.13Å; S53-V128 PolarHBondContact O-N 3.49Å; R55-V128 HydrophobicContact CG-CG2 3.52Å; E117-V128 VanDerWaalsContact CD-CG1 3.49Å; E117-V128 HydrophobicContact CG-CG1 3.52Å; E117-V128 WeakPolarHBondContact OE1-CG1 3.3Å; V128-H130 WeakPolarHBondContact CG1-CE1 3.32Å
129	A	70	Confident	68	Low	5 Å²	5	58 Å²	58	4%	0.041	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	118.8	173.9	0	0	0	0	0	110.2	L50 V51 L118 N119 L157	L50-A129 HydrophobicContact CD1-CB 4.32Å; V51-A129 WeakPolarHBondContact O-CA 3.41Å; L118-A129 PolarHBondContact N-O 3.48Å; N119-A129 PolarHBondContact OD1-N 2.98Å; A129-L157 HydrophobicContact CB-CD2 3.6Å
130	H	74.4	Confident	68.1	Low	26 Å²	26	67.9 Å²	67.9	12%	0.12	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	137.7	173.1	-67.6	88.5	0	0	0	109.6	V51 I71 F116 V128	V51-H130 PolarHBondContact N-O 2.71Å; V51-H130 PolarHBondContact O-N 3.5Å; I71-H130 HydrophobicContact CD1-CB 4.11Å; I71-H130 HydrophobicContact CG2-CB 4.45Å; I71-H130 WeakPolarHBondContact CG2-CD2 3.4Å; I71-H130 WeakPolarHBondContact CG2-NE2 3.32Å; F116-H130 WeakPolarHBondContact O-CA 3.49Å; V128-H130 WeakPolarHBondContact CG1-CE1 3.32Å
131	F	79.2	Confident	68.6	Low	1 Å²	1	65.8 Å²	65.8	0%	0.004	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.1	167.1	-161.5	-104.4	0	0	0	109	S34 A38 A48 L50 S115 F116 L118 M133 L149 L153	S34-F131 VanDerWaalsContact CB-CE2 3.5Å; A38-F131 HydrophobicContact CB-CE1 4.31Å; A48-F131 HydrophobicContact CB-CE1 4.28Å; A48-F131 HydrophobicContact CB-CZ 3.94Å; L50-F131 HydrophobicContact CB-CD2 4.34Å; L50-F131 HydrophobicContact CD1-CD2 4.25Å; S115-F131 VanDerWaalsContact CA-O 3.24Å; S115-F131 WeakPolarHBondContact CA-O 2.91Å; F116-F131 HydrophobicContact CD2-CB 4.03Å; F116-F131 HydrophobicContact CE2-CB 3.61Å; F116-F131 HydrophobicContact CE2-CD1 4.04Å; F116-F131 HydrophobicContact CE2-CG 4.19Å; F116-F131 HydrophobicContact CZ-CB 4.15Å; F116-F131 AromaticContact CZ-CD1 3.74Å; F116-F131 HydrophobicContact CZ-CD1 3.74Å; F116-F131 HydrophobicContact CZ-CG 4.34Å; F116-F131 PolarHBondContact N-O 3.39Å; F116-F131 PolarHBondContact O-N 3.03Å; L118-F131 HydrophobicContact CD1-CB 4.24Å; L118-F131 HydrophobicContact CD2-CB 4.49Å; L118-F131 HydrophobicContact CG-CB 4.38Å; F131-M133 HydrophobicContact CD1-CG 4.01Å; F131-M133 HydrophobicContact CD1-SD 4.42Å; F131-M133 HydrophobicContact CE1-CG 3.66Å; F131-M133 HydrophobicContact CE1-SD 3.96Å; F131-L149 HydrophobicContact CE1-CD2 4.14Å; F131-L153 HydrophobicContact CB-CD1 4.31Å; F131-L153 HydrophobicContact CD1-CD1 3.74Å; F131-L153 HydrophobicContact CD2-CD1 3.83Å; F131-L153 HydrophobicContact CE1-CD1 3.92Å; F131-L153 HydrophobicContact CE2-CD1 4.02Å; F131-L153 HydrophobicContact CG-CD1 3.68Å; F131-L153 HydrophobicContact CZ-CD1 4.05Å
132	V	79.3	Confident	69.3	Low	2 Å²	2	60.5 Å²	60.5	1%	0.012	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134.4	-177.1	-170.7	0	0	0	0	110.2	A48 E49 V51 L67 I71 M113 I114	A48-V132 CarbonylContact C-O 3.54Å; A48-V132 VanDerWaalsContact CA-O 3.28Å; A48-V132 WeakPolarHBondContact CA-O 3.46Å; E49-V132 PolarHBondContact N-O 2.75Å; E49-V132 PolarHBondContact O-N 3.48Å; V51-V132 HydrophobicContact CG2-CG2 4.26Å; L67-V132 HydrophobicContact CD2-CB 3.98Å; L67-V132 HydrophobicContact CD2-CG1 3.58Å; L67-V132 HydrophobicContact CD2-CG2 3.88Å; I71-V132 HydrophobicContact CD1-CG2 3.64Å; I71-V132 HydrophobicContact CG1-CG2 4.33Å; M113-V132 HydrophobicContact CG-CG1 3.67Å; M113-V132 HydrophobicContact SD-CG1 3.8Å; I114-V132 CarbonylContact O-C 3.51Å; I114-V132 WeakPolarHBondContact O-CA 3.33Å
133	M	83.2	Confident	70.4	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140.5	177.1	-61.4	-179.9	-62.4	0	0	110	A38 F42 L47 A48 M113 I114 F116 F131 L149	A38-M133 HydrophobicContact CB-CG 4.33Å; A38-M133 HydrophobicContact CB-SD 3.67Å; F42-M133 HydrophobicContact CD2-CE 4.3Å; F42-M133 HydrophobicContact CD2-SD 4.17Å; F42-M133 HydrophobicContact CE2-CE 3.99Å; F42-M133 HydrophobicContact CE2-SD 4.36Å; L47-M133 CarbonylContact O-C 3.59Å; L47-M133 WeakPolarHBondContact O-CA 3.4Å; A48-M133 HydrophobicContact CB-CG 4.23Å; M113-M133 CarbonylContact C-O 3.38Å; M113-M133 VanDerWaalsContact CA-O 3.26Å; M113-M133 WeakPolarHBondContact CA-O 3.29Å; I114-M133 HydrophobicContact CB-CB 4.49Å; I114-M133 HydrophobicContact CB-CE 3.84Å; I114-M133 HydrophobicContact CD1-CE 4.32Å; I114-M133 HydrophobicContact CG2-CE 3.78Å; I114-M133 PolarHBondContact N-O 3.02Å; I114-M133 PolarHBondContact O-N 3.35Å; F116-M133 HydrophobicContact CE1-CE 3.89Å; F116-M133 HydrophobicContact CZ-CE 4.47Å; F131-M133 HydrophobicContact CD1-CG 4.01Å; F131-M133 HydrophobicContact CD1-SD 4.42Å; F131-M133 HydrophobicContact CE1-CG 3.66Å; F131-M133 HydrophobicContact CE1-SD 3.96Å; M133-L149 HydrophobicContact CE-CD2 4.09Å; M133-L149 HydrophobicContact SD-CD2 3.56Å; M133-L149 VanDerWaalsContact SD-CD2 3.56Å
134	I	81.6	Confident	71.6	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	129.7	169.8	-48.1	-177.8	0	0	0	109.4	W46 L47 V84 F88 L92	W46-I134 HydrophobicContact CH2-CB 4.27Å; W46-I134 HydrophobicContact CH2-CD1 3.99Å; W46-I134 HydrophobicContact CH2-CG2 4.18Å; W46-I134 HydrophobicContact CZ2-CB 3.76Å; W46-I134 HydrophobicContact CZ2-CD1 4.18Å; W46-I134 HydrophobicContact CZ2-CG2 3.33Å; W46-I134 PolarHBondContact N-O 2.99Å; W46-I134 VanDerWaalsContact N-O 3.1Å; L47-I134 HydrophobicContact CB-CB 4.15Å; L47-I134 HydrophobicContact CB-CD1 4.42Å; L47-I134 HydrophobicContact CB-CG1 4.21Å; L47-I134 HydrophobicContact CD2-CD1 3.59Å; L47-I134 HydrophobicContact CD2-CG1 4.04Å; L47-I134 PolarHBondContact O-N 3.33Å; V84-I134 HydrophobicContact CG2-CG2 4.33Å; F88-I134 HydrophobicContact CE1-CD1 4.43Å; L92-I134 HydrophobicContact CD1-CD1 3.4Å; L92-I134 VanDerWaalsContact CD1-CD1 3.4Å
135	L	82.1	Confident	73.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.8	-171	-56.4	169.6	0	0	0	110	F42 T44 C45 Q111 H112 I114 S137 L138	F42-L135 HydrophobicContact CB-CD2 3.63Å; F42-L135 HydrophobicContact CD1-CD1 4.3Å; F42-L135 HydrophobicContact CD1-CD2 4.28Å; F42-L135 HydrophobicContact CG-CD2 4.11Å; T44-L135 WeakPolarHBondContact O-CA 3.44Å; C45-L135 HydrophobicContact CB-CD2 3.53Å; Q111-L135 WeakPolarHBondContact CA-O 3.35Å; H112-L135 PolarHBondContact N-O 2.61Å; H112-L135 PolarHBondContact O-N 2.94Å; I114-L135 HydrophobicContact CD1-CD1 3.5Å; I114-L135 VanDerWaalsContact CD1-CD1 3.5Å; I114-L135 HydrophobicContact CG1-CD1 3.77Å; L135-S137 VanDerWaalsContact C-N 3.31Å; L135-L138 HydrophobicContact CD1-CD1 3.67Å
136	E	79.3	Confident	74.3	Confident	100 Å²	100	54 Å²	54	47%	0.467	27%	0.27	S	S	.	.	S	Bend	trans	-68.9	-31.5	170.8	-67.5	178.4	176.7	0	0	112.7	T44	T44-E136 PolarHBondContact O-N 3.1Å
137	S	77.2	Confident	75.4	Confident	62 Å²	62	51.4 Å²	51.4	43%	0.434	26%	0.258	S	S	.	.	S	Bend	trans	-154	146.5	176.6	62.5	0	0	0	0	111.1	T44 L135 P139	T44-S137 PolarHBondContact OG1-O 3.36Å; L135-S137 VanDerWaalsContact C-N 3.31Å; S137-P139 WeakPolarHBondContact O-CD 3.43Å
138	L	76.2	Confident	76.1	Confident	49 Å²	49	49.6 Å²	49.6	26%	0.257	26%	0.256	S	S	.	.			trans	-98.9	113.3	-175.3	-163.2	82.2	0	0	0	110.8	V81 H112 I114 L135 H142	V81-L138 HydrophobicContact CG1-CD1 3.98Å; V81-L138 HydrophobicContact CG1-CD2 3.89Å; H112-L138 HydrophobicContact CB-CB 4.34Å; H112-L138 HydrophobicContact CB-CD1 4.14Å; I114-L138 HydrophobicContact CD1-CD1 3.74Å; I114-L138 HydrophobicContact CG1-CD1 4.09Å; L135-L138 HydrophobicContact CD1-CD1 3.67Å; L138-H142 HydrophobicContact CD1-CB 3.83Å; L138-H142 HydrophobicContact CD2-CB 4.42Å; L138-H142 VanDerWaalsContact CD2-CE1 3.45Å; L138-H142 WeakPolarHBondContact CD2-CE1 3.37Å; L138-H142 WeakPolarHBondContact CD2-ND1 3.21Å; L138-H142 HydrophobicContact CG-CB 3.81Å
139	P	67.2	Low	76.8	Confident	45 Å²	45	49.2 Å²	49.2	29%	0.292	25%	0.254	S	S	.	.			trans	-65.6	151.9	177.2	-20	31.9	0	0	0	112.5	S137 A141 H142	S137-P139 WeakPolarHBondContact O-CD 3.43Å; P139-A141 PolarHBondContact O-N 2.9Å; P139-H142 WeakPolarHBondContact O-CB 3.31Å; P139-H142 PolarHBondContact O-N 2.77Å; P139-H142 PolarHBondContact O-ND1 2.83Å
140	K	70.1	Confident	77.3	Confident	219 Å²	219	49.8 Å²	49.8	95%	0.952	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-27.5	178.4	-75.7	-174.1	177.8	-179.8	0	114.3
141	A	69.2	Low	77.4	Confident	62 Å²	62	51.8 Å²	51.8	51%	0.512	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	24	-179.3	0	0	0	0	0	114.3	P139 L143	P139-A141 PolarHBondContact O-N 2.9Å; A141-L143 PolarHBondContact O-N 2.63Å
142	H	72.4	Confident	77	Confident	46 Å²	46	56.6 Å²	56.6	21%	0.213	29%	0.289	C	S	.	.	H	α-helix	trans	-58.9	-39.2	-171.9	58.4	-84.3	0	0	0	114.5	F42 I114 L138 P139 H144 K145 A146	F42-H142 HydrophobicContact CE1-CB 4.2Å; I114-H142 HydrophobicContact CD1-CB 4.49Å; L138-H142 HydrophobicContact CD1-CB 3.83Å; L138-H142 HydrophobicContact CD2-CB 4.42Å; L138-H142 VanDerWaalsContact CD2-CE1 3.45Å; L138-H142 WeakPolarHBondContact CD2-CE1 3.37Å; L138-H142 WeakPolarHBondContact CD2-ND1 3.21Å; L138-H142 HydrophobicContact CG-CB 3.81Å; P139-H142 WeakPolarHBondContact O-CB 3.31Å; P139-H142 PolarHBondContact O-N 2.77Å; P139-H142 PolarHBondContact O-ND1 2.83Å; H142-H144 PolarHBondContact O-N 2.9Å; H142-K145 PolarHBondContact O-N 3.43Å; H142-A146 VanDerWaalsContact O-CB 3.32Å; H142-A146 WeakPolarHBondContact O-CB 3.45Å; H142-A146 PolarHBondContact O-N 2.86Å
143	L	76.5	Confident	76.7	Confident	98 Å²	98	57.2 Å²	57.2	51%	0.513	29%	0.292	S	S	.	.	H	α-helix	trans	-66.1	-40.6	-173.6	-160.5	72.9	0	0	0	112.7	I79 A141 A146 Q147	I79-L143 HydrophobicContact CB-CD1 4.28Å; I79-L143 HydrophobicContact CG2-CD1 4.28Å; A141-L143 PolarHBondContact O-N 2.63Å; L143-A146 PolarHBondContact O-N 3.16Å; L143-Q147 WeakPolarHBondContact O-CB 3.32Å; L143-Q147 PolarHBondContact O-N 3.48Å
144	H	76.3	Confident	76.2	Confident	110 Å²	110	58.1 Å²	58.1	51%	0.509	30%	0.299	S	S	.	.	H	α-helix	trans	-66.5	-42.5	179.5	179.2	-98	0	0	0	111.9	R7 H142 Q147 L148	R7-H144 PolarHBondContact NH2-NE2 3.02Å; R7-H144 VanDerWaalsContact NH2-NE2 3.18Å; H142-H144 PolarHBondContact O-N 2.9Å; H144-Q147 PolarHBondContact O-N 3.44Å; H144-L148 PolarHBondContact O-N 2.86Å
145	K	80.4	Confident	75.4	Confident	71 Å²	71	60.9 Å²	60.9	31%	0.309	32%	0.318	S	S	.	.	H	α-helix	trans	-66	-41	175.4	-70	-175.5	170.5	-169.4	0	112.3	L41 F42 H142 L148 L149	L41-K145 WeakPolarHBondContact O-CD 3.34Å; L41-K145 PolarHBondContact O-NZ 3.16Å; F42-K145 HydrophobicContact CE1-CB 4.04Å; F42-K145 HydrophobicContact CE1-CD 4.4Å; F42-K145 HydrophobicContact CE2-CB 4.02Å; F42-K145 HydrophobicContact CZ-CB 3.47Å; F42-K145 VanDerWaalsContact CZ-CB 3.47Å; H142-K145 PolarHBondContact O-N 3.43Å; K145-L148 PolarHBondContact O-N 3.43Å; K145-L149 PolarHBondContact O-N 3.45Å
146	A	80.7	Confident	74.6	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-66.5	-38.9	178.4	0	0	0	0	0	111.3	F42 I79 I114 H142 L143 L149 K150	F42-A146 HydrophobicContact CZ-CB 4.09Å; I79-A146 HydrophobicContact CD1-CB 3.93Å; I79-A146 HydrophobicContact CG2-CB 4.09Å; I114-A146 HydrophobicContact CG2-CB 4.18Å; H142-A146 VanDerWaalsContact O-CB 3.32Å; H142-A146 WeakPolarHBondContact O-CB 3.45Å; H142-A146 PolarHBondContact O-N 2.86Å; L143-A146 PolarHBondContact O-N 3.16Å; A146-L149 PolarHBondContact O-N 3.35Å; A146-K150 WeakPolarHBondContact O-CB 3.34Å; A146-K150 PolarHBondContact O-N 2.99Å
147	Q	80.8	Confident	73.9	Confident	56 Å²	56	58.3 Å²	58.3	26%	0.262	31%	0.309	S	S	.	.	H	α-helix	trans	-64.2	-42.8	174.2	-167.3	73	39.2	0	0	111.9	E78 I79 L143 H144 L149 K150 N151	E78-Q147 PolarHBondContact OE2-NE2 2.82Å; I79-Q147 HydrophobicContact CD1-CB 3.93Å; L143-Q147 WeakPolarHBondContact O-CB 3.32Å; L143-Q147 PolarHBondContact O-N 3.48Å; H144-Q147 PolarHBondContact O-N 3.44Å; Q147-L149 VanDerWaalsContact C-N 3.33Å; Q147-L149 PolarHBondContact O-N 3.03Å; Q147-K150 PolarHBondContact O-N 3.41Å; Q147-N151 PolarHBondContact NE2-OD1 3.07Å; Q147-N151 VanDerWaalsContact O-CG 3.24Å; Q147-N151 PolarHBondContact O-N 2.82Å; Q147-N151 PolarHBondContact O-OD1 2.87Å
148	L	76	Confident	73.3	Confident	82 Å²	82	58.8 Å²	58.8	43%	0.429	31%	0.306	S	S	.	.	H	α-helix	trans	-58.6	-46.8	175.8	-175.8	67.1	0	0	0	111.1	H144 K145 N151 Q152	H144-L148 PolarHBondContact O-N 2.86Å; K145-L148 PolarHBondContact O-N 3.43Å; L148-N151 PolarHBondContact O-N 3.38Å; L148-Q152 WeakPolarHBondContact O-CG 3.43Å; L148-Q152 PolarHBondContact O-N 3.19Å
149	L	81	Confident	72.5	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63.6	-45.6	177.8	-174.6	61.1	0	0	0	111.8	A37 A38 L41 F116 F131 M133 K145 A146 Q147 N151 Q152 L153	A37-L149 HydrophobicContact CB-CD1 3.73Å; A38-L149 HydrophobicContact CB-CD2 4.12Å; L41-L149 HydrophobicContact CD1-CB 3.87Å; L41-L149 HydrophobicContact CD1-CD1 4.14Å; L41-L149 HydrophobicContact CD1-CG 4.4Å; F116-L149 HydrophobicContact CZ-CB 4.43Å; F116-L149 HydrophobicContact CZ-CD2 4.2Å; F116-L149 HydrophobicContact CZ-CG 4.17Å; F131-L149 HydrophobicContact CE1-CD2 4.14Å; M133-L149 HydrophobicContact CE-CD2 4.09Å; M133-L149 HydrophobicContact SD-CD2 3.56Å; M133-L149 VanDerWaalsContact SD-CD2 3.56Å; K145-L149 PolarHBondContact O-N 3.45Å; A146-L149 PolarHBondContact O-N 3.35Å; Q147-L149 VanDerWaalsContact C-N 3.33Å; Q147-L149 PolarHBondContact O-N 3.03Å; L149-N151 PolarHBondContact O-N 3.39Å; L149-Q152 PolarHBondContact O-N 3.16Å; L149-L153 HydrophobicContact CD1-CD1 4.05Å; L149-L153 HydrophobicContact CD1-CG 4.13Å; L149-L153 HydrophobicContact CG-CD1 3.93Å; L149-L153 HydrophobicContact CG-CG 4.34Å; L149-L153 WeakPolarHBondContact O-CB 3.32Å; L149-L153 VanDerWaalsContact O-CG 3.31Å; L149-L153 WeakPolarHBondContact O-CG 3.14Å; L149-L153 PolarHBondContact O-N 3.11Å
150	K	81	Confident	72	Confident	17 Å²	17	57.3 Å²	57.3	7%	0.074	29%	0.293	C	S	.	.	H	α-helix	trans	-55.6	-48.9	176.4	177.3	-174.7	174.5	-177.4	0	111.7	E78 I79 F116 E117 A146 Q147 Q152 L153 S154	E78-K150 VanDerWaalsContact CB-NZ 3.3Å; E78-K150 VanDerWaalsContact CD-NZ 3.31Å; E78-K150 VanDerWaalsContact CG-NZ 3.33Å; E78-K150 PolarHBondContact O-NZ 3.03Å; E78-K150 VanDerWaalsContact O-NZ 3.09Å; E78-K150 IonicContact OE2-NZ 2.82Å; E78-K150 PolarHBondContact OE2-NZ 3.31Å; I79-K150 HydrophobicContact CG1-CD 4.14Å; F116-K150 HydrophobicContact CB-CD 3.98Å; F116-K150 HydrophobicContact CB-CG 4.3Å; F116-K150 HydrophobicContact CD1-CB 4.37Å; F116-K150 HydrophobicContact CD2-CB 3.6Å; F116-K150 HydrophobicContact CD2-CD 4.23Å; F116-K150 HydrophobicContact CD2-CG 3.6Å; F116-K150 HydrophobicContact CE1-CB 4.43Å; F116-K150 VanDerWaalsContact CE2-CA 3.49Å; F116-K150 HydrophobicContact CE2-CB 3.66Å; F116-K150 HydrophobicContact CE2-CG 4.11Å; F116-K150 HydrophobicContact CG-CB 3.98Å; F116-K150 HydrophobicContact CG-CD 4.18Å; F116-K150 HydrophobicContact CG-CG 4.03Å; F116-K150 HydrophobicContact CZ-CB 4.09Å; E117-K150 WeakPolarHBondContact O-CE 3.41Å; A146-K150 WeakPolarHBondContact O-CB 3.34Å; A146-K150 PolarHBondContact O-N 2.99Å; Q147-K150 PolarHBondContact O-N 3.41Å; K150-Q152 VanDerWaalsContact C-N 3.34Å; K150-Q152 PolarHBondContact O-N 2.62Å; K150-L153 PolarHBondContact O-N 3.4Å; K150-S154 VanDerWaalsContact O-CB 3.29Å; K150-S154 WeakPolarHBondContact O-CB 3.23Å; K150-S154 PolarHBondContact O-N 3.31Å; K150-S154 PolarHBondContact O-OG 2.86Å
151	N	75.3	Confident	71.4	Confident	67 Å²	67	48.4 Å²	48.4	36%	0.358	26%	0.255	S	S	.	.	H	α-helix	trans	-62.5	-43.7	-177.4	-70.2	2.6	0	0	0	111	Q147 L148 L149 S155	Q147-N151 PolarHBondContact NE2-OD1 3.07Å; Q147-N151 VanDerWaalsContact O-CG 3.24Å; Q147-N151 PolarHBondContact O-N 2.82Å; Q147-N151 PolarHBondContact O-OD1 2.87Å; L148-N151 PolarHBondContact O-N 3.38Å; L149-N151 PolarHBondContact O-N 3.39Å; N151-S155 WeakPolarHBondContact O-CB 3.47Å; N151-S155 PolarHBondContact O-N 3.12Å
152	Q	70.3	Confident	70.6	Confident	103 Å²	103	54 Å²	54	48%	0.481	26%	0.263	S	S	.	.	H	α-helix	trans	-62	-47.3	176.3	-75.1	-176	-30.2	0	0	112.1	L148 L149 K150 T156	L148-Q152 WeakPolarHBondContact O-CG 3.43Å; L148-Q152 PolarHBondContact O-N 3.19Å; L149-Q152 PolarHBondContact O-N 3.16Å; K150-Q152 VanDerWaalsContact C-N 3.34Å; K150-Q152 PolarHBondContact O-N 2.62Å; Q152-T156 WeakPolarHBondContact O-CB 3.37Å; Q152-T156 PolarHBondContact O-N 3.4Å; Q152-T156 PolarHBondContact O-OG1 2.92Å
153	L	73.7	Confident	69.4	Low	14 Å²	14	55 Å²	55	7%	0.073	27%	0.27	C	S	.	.	H	α-helix	trans	-68.4	-38.5	-179.2	-67.8	-177.9	0	0	0	112.5	S34 F116 L118 F131 L149 K150 T156 L157	S34-L153 WeakPolarHBondContact OG-CD2 3.49Å; F116-L153 HydrophobicContact CE2-CD1 4.23Å; F116-L153 HydrophobicContact CZ-CD1 4.47Å; L118-L153 HydrophobicContact CD1-CB 4.03Å; L118-L153 HydrophobicContact CD2-CB 3.58Å; L118-L153 HydrophobicContact CG-CB 4.49Å; F131-L153 HydrophobicContact CB-CD1 4.31Å; F131-L153 HydrophobicContact CD1-CD1 3.74Å; F131-L153 HydrophobicContact CD2-CD1 3.83Å; F131-L153 HydrophobicContact CE1-CD1 3.92Å; F131-L153 HydrophobicContact CE2-CD1 4.02Å; F131-L153 HydrophobicContact CG-CD1 3.68Å; F131-L153 HydrophobicContact CZ-CD1 4.05Å; L149-L153 HydrophobicContact CD1-CD1 4.05Å; L149-L153 HydrophobicContact CD1-CG 4.13Å; L149-L153 HydrophobicContact CG-CD1 3.93Å; L149-L153 HydrophobicContact CG-CG 4.34Å; L149-L153 WeakPolarHBondContact O-CB 3.32Å; L149-L153 VanDerWaalsContact O-CG 3.31Å; L149-L153 WeakPolarHBondContact O-CG 3.14Å; L149-L153 PolarHBondContact O-N 3.11Å; K150-L153 PolarHBondContact O-N 3.4Å; L153-T156 PolarHBondContact O-N 3.22Å; L153-L157 WeakPolarHBondContact O-CB 3.37Å; L153-L157 PolarHBondContact O-N 3.47Å
154	S	73	Confident	68.1	Low	19 Å²	19	56.3 Å²	56.3	13%	0.133	27%	0.273	C	S	.	.	H	α-helix	trans	-67	-43.5	178.7	-54	0	0	0	0	111	L118 K150 T156 L157 N158	L118-S154 WeakPolarHBondContact CD2-OG 3.32Å; L118-S154 WeakPolarHBondContact O-CB 3.41Å; L118-S154 PolarHBondContact O-OG 2.91Å; K150-S154 VanDerWaalsContact O-CB 3.29Å; K150-S154 WeakPolarHBondContact O-CB 3.23Å; K150-S154 PolarHBondContact O-N 3.31Å; K150-S154 PolarHBondContact O-OG 2.86Å; S154-T156 VanDerWaalsContact C-N 3.33Å; S154-T156 PolarHBondContact O-N 3.39Å; S154-L157 PolarHBondContact O-N 3.3Å; S154-N158 WeakPolarHBondContact O-CB 3.43Å; S154-N158 PolarHBondContact O-N 2.89Å; S154-N158 PolarHBondContact O-ND2 2.97Å
155	S	64.9	Low	66.7	Low	58 Å²	58	54.3 Å²	54.3	41%	0.406	26%	0.264	S	S	.	.	H	α-helix	trans	-58.8	-46	173.4	-179.1	0	0	0	0	111.2	N151 L157 R159	N151-S155 WeakPolarHBondContact O-CB 3.47Å; N151-S155 PolarHBondContact O-N 3.12Å; S155-L157 PolarHBondContact O-N 2.87Å; S155-R159 WeakPolarHBondContact O-CB 3.34Å; S155-R159 PolarHBondContact O-N 2.79Å
156	T	64.2	Low	64.8	Low	29 Å²	29	58.9 Å²	58.9	18%	0.178	28%	0.284	C	S	.	.	H	α-helix	trans	-64	-42.7	179	-54.3	0	0	0	0	112.3	M30 Q152 L153 S154 R159 I160	M30-T156 HydrophobicContact CG-CG2 4.16Å; M30-T156 HydrophobicContact SD-CG2 4.22Å; Q152-T156 WeakPolarHBondContact O-CB 3.37Å; Q152-T156 PolarHBondContact O-N 3.4Å; Q152-T156 PolarHBondContact O-OG1 2.92Å; L153-T156 PolarHBondContact O-N 3.22Å; S154-T156 VanDerWaalsContact C-N 3.33Å; S154-T156 PolarHBondContact O-N 3.39Å; T156-R159 WeakPolarHBondContact O-CB 3.48Å; T156-R159 PolarHBondContact O-N 2.91Å; T156-I160 HydrophobicContact CG2-CD1 4.5Å; T156-I160 WeakPolarHBondContact O-CG1 3.47Å; T156-I160 PolarHBondContact O-N 2.86Å; T156-I160 VanDerWaalsContact O-N 3.13Å
157	L	65.5	Low	62.7	Low	18 Å²	18	64.3 Å²	64.3	9%	0.094	31%	0.314	C	S	.	.	H	α-helix	trans	-67	-47.3	179	-176.7	67.6	0	0	0	111.8	L118 N119 A129 L153 S154 S155 R159 I160 I161	L118-L157 HydrophobicContact CB-CD2 3.55Å; L118-L157 HydrophobicContact CD1-CD2 4.17Å; N119-L157 HydrophobicContact CB-CD2 4Å; A129-L157 HydrophobicContact CB-CD2 3.6Å; L153-L157 WeakPolarHBondContact O-CB 3.37Å; L153-L157 PolarHBondContact O-N 3.47Å; S154-L157 PolarHBondContact O-N 3.3Å; S155-L157 PolarHBondContact O-N 2.87Å; L157-R159 PolarHBondContact O-N 3.46Å; L157-I160 PolarHBondContact O-N 2.8Å; L157-I160 VanDerWaalsContact O-N 3.08Å; L157-I161 HydrophobicContact CG-CD1 4.06Å; L157-I161 WeakPolarHBondContact O-CG1 3.45Å; L157-I161 PolarHBondContact O-N 2.89Å
158	N	64.3	Low	60.5	Low	72 Å²	72	68.5 Å²	68.5	39%	0.385	33%	0.333	S	S	.	.	H	α-helix	trans	-60.9	-33.7	176.3	-75.5	-30.2	0	0	0	111.7	S154 R162	S154-N158 WeakPolarHBondContact O-CB 3.43Å; S154-N158 PolarHBondContact O-N 2.89Å; S154-N158 PolarHBondContact O-ND2 2.97Å; N158-R162 WeakPolarHBondContact O-CB 3.45Å; N158-R162 WeakPolarHBondContact O-CG 3.41Å; N158-R162 PolarHBondContact O-N 2.82Å; N158-R162 VanDerWaalsContact O-N 3.07Å
159	R	58.6	Low	58.7	Low	35 Å²	35	70.7 Å²	70.7	13%	0.132	34%	0.339	C	S	.	.	H	α-helix	trans	-60.5	-46.7	172	-169.5	-174.4	77	-172.9	8.1	111.5	S18 G22 S155 T156 L157 L163	S18-R159 VanDerWaalsContact O-CZ 3.27Å; S18-R159 PolarHBondContact O-NH1 2.93Å; S18-R159 PolarHBondContact OG-NH1 3.25Å; G22-R159 VanDerWaalsContact CA-NH2 3.27Å; S155-R159 WeakPolarHBondContact O-CB 3.34Å; S155-R159 PolarHBondContact O-N 2.79Å; T156-R159 WeakPolarHBondContact O-CB 3.48Å; T156-R159 PolarHBondContact O-N 2.91Å; L157-R159 PolarHBondContact O-N 3.46Å; R159-L163 HydrophobicContact CG-CD1 4.3Å; R159-L163 VanDerWaalsContact O-CG 3.29Å; R159-L163 WeakPolarHBondContact O-CG 3.46Å; R159-L163 PolarHBondContact O-N 3.07Å; R159-L163 VanDerWaalsContact O-N 3.16Å
160	I	57.3	Low	56.5	Low	28 Å²	28	75.4 Å²	75.4	14%	0.144	37%	0.372	C	S	.	.	H	α-helix	trans	-65.6	-46.7	178.9	-66.7	168.6	0	0	0	111.1	M30 T156 L157 R162 L163 E164	M30-I160 HydrophobicContact CB-CD1 4.46Å; M30-I160 HydrophobicContact CG-CD1 4.26Å; M30-I160 HydrophobicContact SD-CD1 3.39Å; M30-I160 WeakPolarHBondContact SD-CD1 3.31Å; T156-I160 HydrophobicContact CG2-CD1 4.5Å; T156-I160 WeakPolarHBondContact O-CG1 3.47Å; T156-I160 PolarHBondContact O-N 2.86Å; T156-I160 VanDerWaalsContact O-N 3.13Å; L157-I160 PolarHBondContact O-N 2.8Å; L157-I160 VanDerWaalsContact O-N 3.08Å; I160-R162 VanDerWaalsContact C-N 3.31Å; I160-R162 PolarHBondContact O-N 2.83Å; I160-L163 WeakPolarHBondContact O-CB 3.35Å; I160-L163 PolarHBondContact O-N 3.24Å; I160-L163 VanDerWaalsContact O-N 3.07Å; I160-E164 HydrophobicContact CG2-CG 4.38Å; I160-E164 PolarHBondContact O-N 3.19Å
161	I	57.4	Low	54.3	Low	31 Å²	31	78.9 Å²	78.9	16%	0.159	40%	0.399	C	S	.	.	H	α-helix	trans	-57.6	-45.1	179	-67.3	170	0	0	0	110.7	L157 L163 E164 Q165	L157-I161 HydrophobicContact CG-CD1 4.06Å; L157-I161 WeakPolarHBondContact O-CG1 3.45Å; L157-I161 PolarHBondContact O-N 2.89Å; I161-L163 VanDerWaalsContact C-N 3.32Å; I161-L163 PolarHBondContact O-N 2.96Å; I161-E164 PolarHBondContact O-N 2.85Å; I161-Q165 HydrophobicContact CG2-CG 4.45Å; I161-Q165 WeakPolarHBondContact O-CB 3.44Å; I161-Q165 VanDerWaalsContact O-CG 3.3Å; I161-Q165 WeakPolarHBondContact O-CG 3.14Å; I161-Q165 PolarHBondContact O-N 2.71Å
162	R	53	Low	52.2	Low	180 Å²	180	80.6 Å²	80.6	68%	0.679	41%	0.412	S	S	*	.	H	α-helix	trans	-62.6	-37.6	177	-75.5	-179.4	-177.8	-178	2.5	112.7	N158 I160 F166	N158-R162 WeakPolarHBondContact O-CB 3.45Å; N158-R162 WeakPolarHBondContact O-CG 3.41Å; N158-R162 PolarHBondContact O-N 2.82Å; N158-R162 VanDerWaalsContact O-N 3.07Å; I160-R162 VanDerWaalsContact C-N 3.31Å; I160-R162 PolarHBondContact O-N 2.83Å; R162-F166 PolarHBondContact O-N 2.85Å; R162-F166 VanDerWaalsContact O-N 3.08Å
163	L	47.7	Very low	50.1	Low	66 Å²	66	79.5 Å²	79.5	35%	0.346	42%	0.416	S	S	.	.	H	α-helix	trans	-70	-42.2	178	-72.6	167.3	0	0	0	111.9	R159 I160 I161 F166 N167	R159-L163 HydrophobicContact CG-CD1 4.3Å; R159-L163 VanDerWaalsContact O-CG 3.29Å; R159-L163 WeakPolarHBondContact O-CG 3.46Å; R159-L163 PolarHBondContact O-N 3.07Å; R159-L163 VanDerWaalsContact O-N 3.16Å; I160-L163 WeakPolarHBondContact O-CB 3.35Å; I160-L163 PolarHBondContact O-N 3.24Å; I160-L163 VanDerWaalsContact O-N 3.07Å; I161-L163 VanDerWaalsContact C-N 3.32Å; I161-L163 PolarHBondContact O-N 2.96Å; L163-F166 WeakPolarHBondContact O-CB 3.41Å; L163-F166 PolarHBondContact O-N 3.49Å; L163-N167 PolarHBondContact O-N 2.93Å; L163-N167 VanDerWaalsContact O-N 3.08Å
164	E	47.8	Very low	48.4	Very low	126 Å²	126	86 Å²	86	59%	0.589	46%	0.456	S	S	*	.	H	α-helix	trans	-65.4	-41.9	176	-73.7	-172.6	161	0	0	111.8	I160 I161 F166 N167 E168	I160-E164 HydrophobicContact CG2-CG 4.38Å; I160-E164 PolarHBondContact O-N 3.19Å; I161-E164 PolarHBondContact O-N 2.85Å; E164-F166 VanDerWaalsContact C-N 3.33Å; E164-F166 PolarHBondContact O-N 3.33Å; E164-N167 WeakPolarHBondContact O-CB 3.25Å; E164-N167 PolarHBondContact O-N 3.2Å; E164-N167 VanDerWaalsContact O-N 3.09Å; E164-E168 PolarHBondContact O-N 3.43Å
165	Q	47.4	Very low	46.5	Very low	68 Å²	68	92.1 Å²	92.1	32%	0.318	49%	0.487	S	S	.	.	H	α-helix	trans	-59.5	-43	173.2	-74.3	175	-7.5	0	0	111.6	I161 N167 E168 F169	I161-Q165 HydrophobicContact CG2-CG 4.45Å; I161-Q165 WeakPolarHBondContact O-CB 3.44Å; I161-Q165 VanDerWaalsContact O-CG 3.3Å; I161-Q165 WeakPolarHBondContact O-CG 3.14Å; I161-Q165 PolarHBondContact O-N 2.71Å; Q165-N167 VanDerWaalsContact C-N 3.26Å; Q165-N167 PolarHBondContact O-N 3.32Å; Q165-E168 PolarHBondContact O-N 3.08Å; Q165-F169 VanDerWaalsContact O-CD2 3.23Å; Q165-F169 WeakPolarHBondContact O-CD2 3.45Å; Q165-F169 PolarHBondContact O-N 3Å
166	F	40.2	Very low	44.7	Very low	167 Å²	167	96 Å²	96	73%	0.732	50%	0.502	S	S	*	.	H	α-helix	trans	-59.3	-37.3	174.5	-110.7	-86.3	0	0	0	112.6	R162 L163 E164 S170	R162-F166 PolarHBondContact O-N 2.85Å; R162-F166 VanDerWaalsContact O-N 3.08Å; L163-F166 WeakPolarHBondContact O-CB 3.41Å; L163-F166 PolarHBondContact O-N 3.49Å; E164-F166 VanDerWaalsContact C-N 3.33Å; E164-F166 PolarHBondContact O-N 3.33Å; F166-S170 PolarHBondContact O-N 3.42Å
167	N	37.8	Very low	43.1	Very low	115 Å²	115	104.2 Å²	104.2	62%	0.615	54%	0.535	S	S	*	.	H	α-helix	trans	-71.9	-41	177.1	-80.5	-19.1	0	0	0	112.6	L163 E164 Q165 S170	L163-N167 PolarHBondContact O-N 2.93Å; L163-N167 VanDerWaalsContact O-N 3.08Å; E164-N167 WeakPolarHBondContact O-CB 3.25Å; E164-N167 PolarHBondContact O-N 3.2Å; E164-N167 VanDerWaalsContact O-N 3.09Å; Q165-N167 VanDerWaalsContact C-N 3.26Å; Q165-N167 PolarHBondContact O-N 3.32Å; N167-S170 WeakPolarHBondContact O-CB 3.43Å; N167-S170 PolarHBondContact O-N 3Å; N167-S170 PolarHBondContact O-OG 3.25Å
168	E	35.1	Very low	41.3	Very low	144 Å²	144	111.8 Å²	111.8	67%	0.673	57%	0.57	S	S	*	*	H	α-helix	trans	-64.3	-42.4	176.3	-80.7	-167.6	156.8	0	0	112.2	E164 Q165 S170 S171	E164-E168 PolarHBondContact O-N 3.43Å; Q165-E168 PolarHBondContact O-N 3.08Å; E168-S170 PolarHBondContact O-N 3.45Å; E168-S171 PolarHBondContact O-N 3.13Å; E168-S171 PolarHBondContact O-OG 3.41Å
169	F	36.6	Very low	39.7	Very low	127 Å²	127	119.9 Å²	119.9	56%	0.557	60%	0.595	S	S	*	*	H	α-helix	trans	-64.7	-18.1	175.1	-83.8	-70.5	0	0	0	113.7	Q165 S171	Q165-F169 VanDerWaalsContact O-CD2 3.23Å; Q165-F169 WeakPolarHBondContact O-CD2 3.45Å; Q165-F169 PolarHBondContact O-N 3Å; F169-S171 VanDerWaalsContact C-N 3.3Å
170	S	36.5	Very low	38.1	Very low	99 Å²	99	128.9 Å²	128.9	69%	0.692	63%	0.631	S	S	*	*	H	α-helix	trans	-74.5	-21.6	173.1	80.5	0	0	0	0	113.1	F166 N167 E168	F166-S170 PolarHBondContact O-N 3.42Å; N167-S170 WeakPolarHBondContact O-CB 3.43Å; N167-S170 PolarHBondContact O-N 3Å; N167-S170 PolarHBondContact O-OG 3.25Å; E168-S170 PolarHBondContact O-N 3.45Å
171	S	34	Very low	37	Very low	91 Å²	91	133.8 Å²	133.8	64%	0.636	67%	0.665	S	S	*	*	H	α-helix	trans	-100.1	-19.5	-172.5	68.5	0	0	0	0	114.7	E168 F169	E168-S171 PolarHBondContact O-N 3.13Å; E168-S171 PolarHBondContact O-OG 3.41Å; F169-S171 VanDerWaalsContact C-N 3.3Å
172	T	30.6	Very low	35.5	Very low	103 Å²	103	137.8 Å²	137.8	63%	0.632	69%	0.694	S	S	*	*	S	Bend	trans	-140	132.1	176	46.3	0	0	0	0	112.3
173	S	27.5	Very low	34.2	Very low	80 Å²	80	134.6 Å²	134.6	56%	0.559	70%	0.698	S	S	*	*			trans	99.3	100.5	167.9	-164.5	0	0	0	0	117.6	L175	S173-L175 PolarHBondContact O-N 2.89Å
174	T	37.8	Very low	33.2	Very low	151 Å²	151	136.8 Å²	136.8	93%	0.926	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	16.8	166	7.3	0	0	0	0	115.3
175	L	32.4	Very low	32.3	Very low	147 Å²	147	139.6 Å²	139.6	77%	0.77	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	7.6	-171.9	-80.4	157.6	0	0	0	116.3	S173 K177	S173-L175 PolarHBondContact O-N 2.89Å; L175-K177 PolarHBondContact O-N 3.44Å
176	L	27.6	Very low	31.3	Very low	138 Å²	138	139.9 Å²	139.9	72%	0.723	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	40.9	172.4	-83.6	163.9	0	0	0	114.4
177	K	30.8	Very low	30.7	Very low	203 Å²	203	138 Å²	138	88%	0.883	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	7	168	-98.4	-168.6	-178.9	-177.2	0	114.9	L175	L175-K177 PolarHBondContact O-N 3.44Å
178	Q	27.5	Very low	30.3	Very low	177 Å²	177	141.1 Å²	141.1	83%	0.827	77%	0.767	S	S	*	*			trans	-121	84.4	174.4	-74	-176.6	-13.6	0	0	110.7
179	R	30.1	Very low	30.3	Very low	241 Å²	241	138.5 Å²	138.5	91%	0.909	77%	0.769	S	S	*	*			trans	-72.6	128.9	167.1	-82.3	-177.8	173.1	177.8	-2.6	109.4
180	Y	25.1	Very low	30.1	Very low	225 Å²	225	136.1 Å²	136.1	88%	0.882	77%	0.769	S	S	*	*			trans	-57.6	136.6	170.3	-77.3	-92.1	0	0	0	111.1	C182	Y180-C182 PolarHBondContact O-N 3.24Å
181	P	34.4	Very low	29.9	Very low	131 Å²	131	138.1 Å²	138.1	85%	0.851	78%	0.777	S	S	*	*			trans	-87.2	96.4	-176.5	33.3	-30.6	0	0	0	110.2
182	C	25.2	Very low	30	Very low	115 Å²	115	144.4 Å²	144.4	78%	0.777	79%	0.787	S	S	*	*			trans	-110.1	122.4	154.5	79	0	0	0	0	109.4	Y180	Y180-C182 PolarHBondContact O-N 3.24Å
183	C	26.2	Very low	30.6	Very low	113 Å²	113	143.5 Å²	143.5	76%	0.764	78%	0.777	S	S	*	*	S	Bend	trans	62.1	79.5	161.8	-53.5	0	0	0	0	117
184	S	27.7	Very low	31.8	Very low	111 Å²	111	142 Å²	142	78%	0.776	77%	0.767	S	S	*	*	S	Bend	trans	36.8	111.8	131.1	57	0	0	0	0	118.2
185	Q	27.9	Very low	32.9	Very low	185 Å²	185	145.3 Å²	145.3	86%	0.864	76%	0.762	S	S	*	*			trans	63.3	63.8	165.8	-54.9	-161.4	0.2	0	0	114	T187	Q185-T187 PolarHBondContact O-N 3.25Å
186	G	26.4	Very low	34.6	Very low	75 Å²	75	145.1 Å²	145.1	77%	0.773	76%	0.758	S	S	*	*			trans	-60.5	89	155.1	0	0	0	0	0	109.1	E188	G186-E188 PolarHBondContact O-N 3.17Å; G186-E188 VanDerWaalsContact O-N 3.15Å
187	T	28.4	Very low	36.5	Very low	128 Å²	128	140.6 Å²	140.6	79%	0.785	73%	0.734	S	S	*	*			trans	-43.7	118.6	147.5	39.3	0	0	0	0	106.2	Q185 A189	Q185-T187 PolarHBondContact O-N 3.25Å; T187-A189 PolarHBondContact O-N 2.94Å; T187-A189 VanDerWaalsContact O-N 3.11Å
188	E	28.8	Very low	38.3	Very low	179 Å²	179	134.5 Å²	134.5	84%	0.836	71%	0.711	S	S	*	*			trans	-37.5	122.2	175.5	-67	175.1	154.3	0	0	108.7	G186 S190	G186-E188 PolarHBondContact O-N 3.17Å; G186-E188 VanDerWaalsContact O-N 3.15Å; E188-S190 PolarHBondContact O-N 3.06Å
189	A	34.3	Very low	40.7	Very low	89 Å²	89	130.8 Å²	130.8	74%	0.736	70%	0.695	S	S	*	*			trans	-66.9	68	171.7	0	0	0	0	0	109	T187 T191	T187-A189 PolarHBondContact O-N 2.94Å; T187-A189 VanDerWaalsContact O-N 3.11Å; A189-T191 PolarHBondContact O-N 3.4Å
190	S	32.5	Very low	43.2	Very low	77 Å²	77	122 Å²	122	54%	0.538	67%	0.665	S	S	.	*				38.8	60.5	123.1	71.5	0	0	0	0	115.2	E188 W192	E188-S190 PolarHBondContact O-N 3.06Å; S190-W192 PolarHBondContact O-N 3.37Å
191	T	33.2	Very low	46	Very low	142 Å²	142	112 Å²	112	87%	0.871	63%	0.628	S	S	*	*			trans	-69.9	41.7	162.9	45.7	0	0	0	0	112.1	A189	A189-T191 PolarHBondContact O-N 3.4Å
192	W	36.2	Very low	48.2	Very low	222 Å²	222	109.7 Å²	109.7	84%	0.841	61%	0.607	S	S	*	*			trans	-92.6	-0.6	-171	-60.2	100.2	0	0	0	115.2	S190	S190-W192 PolarHBondContact O-N 3.37Å
193	I	43	Very low	51	Low	84 Å²	84	110 Å²	110	43%	0.431	60%	0.595	S	S	.	*	S	Bend	trans	-86.8	119.4	175.8	-58.9	165.2	0	0	0	107.7	D197 N198	I193-D197 HydrophobicContact CG2-CB 3.65Å; I193-N198 VanDerWaalsContact CG2-OD1 3.32Å; I193-N198 WeakPolarHBondContact CG2-OD1 3.22Å
194	S	52.5	Low	53.9	Low	48 Å²	48	105 Å²	105	34%	0.336	56%	0.561	S	S	.	*			trans	-60.5	146.5	175.7	76.8	0	0	0	0	109.1	E196 D197 N198	S194-E196 PolarHBondContact O-N 3.16Å; S194-D197 WeakPolarHBondContact CB-OD2 3.41Å; S194-D197 PolarHBondContact N-OD2 3.09Å; S194-D197 PolarHBondContact O-N 3.36Å; S194-D197 PolarHBondContact OG-N 3.2Å; S194-D197 VanDerWaalsContact OG-N 3.12Å; S194-D197 PolarHBondContact OG-OD2 2.81Å; S194-N198 PolarHBondContact O-N 2.89Å
195	R	60.5	Low	56.7	Low	222 Å²	222	101.9 Å²	101.9	84%	0.838	54%	0.539	S	S	*	.	H	α-helix	trans	-54.9	-24.7	175.1	-162.9	178.6	-176.6	-177	1.1	111.9	M199	R195-M199 PolarHBondContact O-N 3.09Å
196	E	68.2	Low	59.4	Low	143 Å²	143	100.4 Å²	100.4	67%	0.668	53%	0.532	S	S	*	.	H	α-helix	trans	-71.8	-45.8	176.7	-169.4	169.9	-168.9	0	0	112.6	S194 N198 M199 L200	S194-E196 PolarHBondContact O-N 3.16Å; E196-N198 PolarHBondContact O-N 2.78Å; E196-M199 WeakPolarHBondContact O-CB 3.31Å; E196-M199 PolarHBondContact O-N 3.33Å; E196-L200 WeakPolarHBondContact O-CG 3.46Å; E196-L200 PolarHBondContact O-N 3.22Å
197	D	67.9	Low	62.3	Low	42 Å²	42	98.9 Å²	98.9	23%	0.225	51%	0.509	C	S	.	.	H	α-helix	trans	-62.7	-41.9	178.8	-62	-43.7	0	0	0	111.9	I193 S194 M199 L200 I201 R227	I193-D197 HydrophobicContact CG2-CB 3.65Å; S194-D197 WeakPolarHBondContact CB-OD2 3.41Å; S194-D197 PolarHBondContact N-OD2 3.09Å; S194-D197 PolarHBondContact O-N 3.36Å; S194-D197 PolarHBondContact OG-N 3.2Å; S194-D197 VanDerWaalsContact OG-N 3.12Å; S194-D197 PolarHBondContact OG-OD2 2.81Å; D197-M199 VanDerWaalsContact C-N 3.27Å; D197-M199 PolarHBondContact O-N 3.19Å; D197-L200 PolarHBondContact O-N 3.33Å; D197-I201 PolarHBondContact O-N 3.18Å; D197-R227 IonicContact OD1-CZ 3.19Å; D197-R227 VanDerWaalsContact OD1-CZ 3.26Å; D197-R227 IonicContact OD1-NH1 2.76Å; D197-R227 PolarHBondContact OD1-NH1 2.88Å; D197-R227 IonicContact OD1-NH2 2.76Å; D197-R227 PolarHBondContact OD1-NH2 2.67Å
198	N	68.6	Low	65.1	Low	76 Å²	76	93.6 Å²	93.6	41%	0.406	48%	0.476	S	S	.	.	H	α-helix	trans	-61.2	-36.6	173.5	-79.3	-28.1	0	0	0	112	I193 S194 E196 I201 L202	I193-N198 VanDerWaalsContact CG2-OD1 3.32Å; I193-N198 WeakPolarHBondContact CG2-OD1 3.22Å; S194-N198 PolarHBondContact O-N 2.89Å; E196-N198 PolarHBondContact O-N 2.78Å; N198-I201 WeakPolarHBondContact O-CG2 3.09Å; N198-L202 WeakPolarHBondContact O-CB 3.36Å; N198-L202 WeakPolarHBondContact O-CD1 3.42Å; N198-L202 WeakPolarHBondContact O-CG 3.41Å; N198-L202 PolarHBondContact O-N 2.96Å; N198-L202 VanDerWaalsContact O-N 3.17Å
199	M	76.4	Confident	67.6	Low	99 Å²	99	94.4 Å²	94.4	49%	0.488	47%	0.472	S	S	.	.	H	α-helix	trans	-68.9	-37.7	177.1	-166	63.8	62.3	0	0	111.7	R195 E196 D197 K203	R195-M199 PolarHBondContact O-N 3.09Å; E196-M199 WeakPolarHBondContact O-CB 3.31Å; E196-M199 PolarHBondContact O-N 3.33Å; D197-M199 VanDerWaalsContact C-N 3.27Å; D197-M199 PolarHBondContact O-N 3.19Å; M199-K203 WeakPolarHBondContact O-CG 3.49Å; M199-K203 PolarHBondContact O-N 3.29Å
200	L	83.1	Confident	70	Confident	55 Å²	55	92.4 Å²	92.4	29%	0.288	45%	0.449	S	S	.	.	H	α-helix	trans	-68.6	-43.8	179.4	-68.9	174.6	0	0	0	112	E196 D197 L202 K203 L204 Y223	E196-L200 WeakPolarHBondContact O-CG 3.46Å; E196-L200 PolarHBondContact O-N 3.22Å; D197-L200 PolarHBondContact O-N 3.33Å; L200-L202 VanDerWaalsContact C-N 3.33Å; L200-K203 PolarHBondContact O-N 3.46Å; L200-L204 PolarHBondContact O-N 3.34Å; L200-Y223 HydrophobicContact CB-CE2 4.07Å
201	I	83.6	Confident	72.1	Confident	17 Å²	17	95 Å²	95	9%	0.087	46%	0.462	C	S	.	.	H	α-helix	trans	-66.5	-37	177	-166	66.7	0	0	0	111.5	D197 N198 K203 L204 C205 Y223 C357 F360	D197-I201 PolarHBondContact O-N 3.18Å; N198-I201 WeakPolarHBondContact O-CG2 3.09Å; I201-K203 PolarHBondContact O-N 3.33Å; I201-L204 HydrophobicContact CD1-CD2 3.92Å; I201-L204 WeakPolarHBondContact O-CB 3.48Å; I201-L204 PolarHBondContact O-N 3.45Å; I201-C205 PolarHBondContact O-N 3.28Å; I201-C205 PolarHBondContact O-SG 2.94Å; I201-C205 VanDerWaalsContact O-SG 3.35Å; I201-Y223 HydrophobicContact CD1-CE1 3.94Å; I201-C357 HydrophobicContact CD1-CB 4.3Å; I201-F360 HydrophobicContact CG1-CD2 3.86Å; I201-F360 HydrophobicContact CG1-CE2 4.46Å
202	L	81.3	Confident	74.3	Confident	81 Å²	81	92.1 Å²	92.1	42%	0.424	44%	0.438	S	S	.	.	H	α-helix	trans	-63.1	-41.5	174.4	-74.4	171.4	0	0	0	112	L20 N198 L200 L204 C205 E206	L20-L202 HydrophobicContact CD2-CD2 4.41Å; N198-L202 WeakPolarHBondContact O-CB 3.36Å; N198-L202 WeakPolarHBondContact O-CD1 3.42Å; N198-L202 WeakPolarHBondContact O-CG 3.41Å; N198-L202 PolarHBondContact O-N 2.96Å; N198-L202 VanDerWaalsContact O-N 3.17Å; L200-L202 VanDerWaalsContact C-N 3.33Å; L202-L204 VanDerWaalsContact C-N 3.33Å; L202-L204 PolarHBondContact O-N 2.83Å; L202-C205 PolarHBondContact O-N 2.7Å; L202-E206 WeakPolarHBondContact O-CB 3.34Å; L202-E206 PolarHBondContact O-N 2.86Å
203	K	83.8	Confident	76.4	Confident	121 Å²	121	81.9 Å²	81.9	53%	0.526	40%	0.401	S	S	.	.	H	α-helix	trans	-63.2	-37.9	173.2	-76.3	177.6	178.5	-177.4	0	112.5	M199 L200 I201 E206 S207	M199-K203 WeakPolarHBondContact O-CG 3.49Å; M199-K203 PolarHBondContact O-N 3.29Å; L200-K203 PolarHBondContact O-N 3.46Å; I201-K203 PolarHBondContact O-N 3.33Å; K203-E206 PolarHBondContact O-N 2.92Å; K203-S207 PolarHBondContact O-N 3.42Å; K203-S207 VanDerWaalsContact O-N 3.13Å
204	L	88.2	Confident	78.3	Confident	9 Å²	9	78.4 Å²	78.4	5%	0.047	38%	0.383	C	S	.	.	H	α-helix	trans	-59.2	-55.1	171.8	174.8	64.5	0	0	0	109.4	L200 I201 L202 E206 S207 L208 K219 Y223 V361	L200-L204 PolarHBondContact O-N 3.34Å; I201-L204 HydrophobicContact CD1-CD2 3.92Å; I201-L204 WeakPolarHBondContact O-CB 3.48Å; I201-L204 PolarHBondContact O-N 3.45Å; L202-L204 VanDerWaalsContact C-N 3.33Å; L202-L204 PolarHBondContact O-N 2.83Å; L204-E206 VanDerWaalsContact C-N 3.28Å; L204-E206 PolarHBondContact O-N 3.38Å; L204-S207 WeakPolarHBondContact O-CA 3.36Å; L204-S207 WeakPolarHBondContact O-CB 3.31Å; L204-S207 PolarHBondContact O-N 2.79Å; L204-S207 PolarHBondContact O-OG 3.42Å; L204-L208 HydrophobicContact CD1-CD2 4.12Å; L204-L208 HydrophobicContact CD1-CG 4.42Å; L204-L208 HydrophobicContact CG-CD1 4.41Å; L204-L208 HydrophobicContact CG-CG 4.4Å; L204-L208 WeakPolarHBondContact O-CG 3.39Å; L204-L208 PolarHBondContact O-N 3.39Å; L204-K219 HydrophobicContact CD1-CB 4.49Å; L204-Y223 HydrophobicContact CB-CD2 3.94Å; L204-Y223 HydrophobicContact CB-CE2 4.19Å; L204-Y223 HydrophobicContact CB-CG 4.37Å; L204-Y223 HydrophobicContact CD1-CG 4.35Å; L204-Y223 HydrophobicContact CD2-CD1 3.73Å; L204-Y223 HydrophobicContact CD2-CD2 4.06Å; L204-Y223 HydrophobicContact CD2-CE1 4.22Å; L204-Y223 HydrophobicContact CD2-CE2 4.49Å; L204-Y223 HydrophobicContact CD2-CG 3.65Å; L204-Y223 HydrophobicContact CG-CD2 4.39Å; L204-Y223 HydrophobicContact CG-CG 4.33Å; L204-V361 HydrophobicContact CD2-CG1 3.86Å; L204-V361 HydrophobicContact CG-CG1 4.47Å
205	C	86.1	Confident	79.9	Confident	46 Å²	46	81.2 Å²	81.2	31%	0.311	39%	0.387	S	S	.	.	H	α-helix	trans	-55.4	-41.7	179.8	-67.3	0	0	0	0	112.8	I201 L202 S207 L208	I201-C205 PolarHBondContact O-N 3.28Å; I201-C205 PolarHBondContact O-SG 2.94Å; I201-C205 VanDerWaalsContact O-SG 3.35Å; L202-C205 PolarHBondContact O-N 2.7Å; C205-S207 PolarHBondContact O-N 3.02Å; C205-L208 PolarHBondContact O-N 2.98Å
206	E	83.8	Confident	81.3	Confident	153 Å²	153	71 Å²	71	72%	0.715	35%	0.348	S	S	*	.	H	α-helix	trans	-58.4	-35.6	173.8	-175.6	-176.8	-177.2	0	0	112.2	L202 K203 L204	L202-E206 WeakPolarHBondContact O-CB 3.34Å; L202-E206 PolarHBondContact O-N 2.86Å; K203-E206 PolarHBondContact O-N 2.92Å; L204-E206 VanDerWaalsContact C-N 3.28Å; L204-E206 PolarHBondContact O-N 3.38Å
207	S	87.6	Confident	82.3	Confident	43 Å²	43	64.2 Å²	64.2	30%	0.301	32%	0.317	S	S	.	.	H	α-helix	trans	-81.8	-9.9	-179.8	80.4	0	0	0	0	114.9	K203 L204 C205 W209 K219	K203-S207 PolarHBondContact O-N 3.42Å; K203-S207 VanDerWaalsContact O-N 3.13Å; L204-S207 WeakPolarHBondContact O-CA 3.36Å; L204-S207 WeakPolarHBondContact O-CB 3.31Å; L204-S207 PolarHBondContact O-N 2.79Å; L204-S207 PolarHBondContact O-OG 3.42Å; C205-S207 PolarHBondContact O-N 3.02Å; S207-W209 PolarHBondContact O-N 2.94Å; S207-K219 WeakPolarHBondContact O-CD 3.1Å; S207-K219 PolarHBondContact O-NZ 3.5Å
208	L	87.5	Confident	83.5	Confident	17 Å²	17	63.2 Å²	63.2	9%	0.089	31%	0.311	C	S	.	.			trans	-79.9	51.6	-174.9	-68	179.3	0	0	0	113.5	L204 C205 L216 K219 V220 V361 I364	L204-L208 HydrophobicContact CD1-CD2 4.12Å; L204-L208 HydrophobicContact CD1-CG 4.42Å; L204-L208 HydrophobicContact CG-CD1 4.41Å; L204-L208 HydrophobicContact CG-CG 4.4Å; L204-L208 WeakPolarHBondContact O-CG 3.39Å; L204-L208 PolarHBondContact O-N 3.39Å; C205-L208 PolarHBondContact O-N 2.98Å; L208-L216 HydrophobicContact CB-CD2 4.44Å; L208-L216 HydrophobicContact CD2-CD2 4.49Å; L208-K219 HydrophobicContact CD2-CB 4.17Å; L208-V220 HydrophobicContact CD1-CG2 4.47Å; L208-V220 HydrophobicContact CD2-CG2 3.77Å; L208-V361 HydrophobicContact CD1-CB 3.9Å; L208-V361 HydrophobicContact CD1-CG1 3.47Å; L208-V361 VanDerWaalsContact CD1-CG1 3.47Å; L208-I364 HydrophobicContact CB-CD1 4.4Å; L208-I364 HydrophobicContact CD1-CD1 4.04Å
209	W	81.5	Confident	84.6	Confident	196 Å²	196	62.1 Å²	62.1	74%	0.742	30%	0.302	S	S	*	.			trans	-124.9	134.8	166	69.2	-85.7	0	0	0	109.1	S207 K219	S207-W209 PolarHBondContact O-N 2.94Å; W209-K219 PolarHBondContact O-NZ 3.04Å
210	D	83.8	Confident	85.4	Confident	47 Å²	47	57.4 Å²	57.4	25%	0.251	28%	0.279	S	S	.	.			trans	-164.9	159.5	174.9	-147.3	-63.1	0	0	0	109.7	E212 R215 L216 K219	D210-E212 PolarHBondContact OD1-N 3.49Å; D210-R215 HydrophobicContact CB-CB 4.18Å; D210-R215 VanDerWaalsContact CG-CD 3.43Å; D210-R215 WeakPolarHBondContact OD1-CD 3.43Å; D210-R215 WeakPolarHBondContact OD2-CB 3.4Å; D210-R215 VanDerWaalsContact OD2-CD 3.26Å; D210-R215 WeakPolarHBondContact OD2-CD 3.49Å; D210-L216 HydrophobicContact CB-CD2 3.74Å; D210-L216 HydrophobicContact CB-CG 4.01Å; D210-K219 IonicContact OD2-NZ 3.38Å
211	T	77.2	Confident	86	Confident	133 Å²	133	54.9 Å²	54.9	82%	0.816	27%	0.266	S	S	*	.	S	Bend	trans	-78.9	-24	172.3	46.9	0	0	0	0	112.4
212	E	78.6	Confident	86.5	Confident	80 Å²	80	59.7 Å²	59.7	37%	0.374	28%	0.283	S	S	.	.	S	Bend	trans	-115.4	126.3	-178.3	-52.1	177.3	163.8	0	0	110.3	D210 N214 R215	D210-E212 PolarHBondContact OD1-N 3.49Å; E212-N214 VanDerWaalsContact C-N 3.34Å; E212-N214 WeakPolarHBondContact CB-OD1 3.42Å; E212-N214 PolarHBondContact O-N 3.29Å; E212-R215 HydrophobicContact CB-CG 4.26Å; E212-R215 WeakPolarHBondContact O-CB 3.3Å; E212-R215 PolarHBondContact O-N 3.31Å; E212-R215 IonicContact OE2-CZ 2.64Å; E212-R215 IonicContact OE2-NE 3.98Å; E212-R215 PolarHBondContact OE2-NE 2.95Å; E212-R215 IonicContact OE2-NH2 2.58Å; E212-R215 PolarHBondContact OE2-NH2 3.24Å
213	A	80.3	Confident	87.2	Confident	7 Å²	7	57.3 Å²	57.3	6%	0.058	27%	0.269	C	S	.	.	H	α-helix	trans	-74	-22.8	-174	0	0	0	0	0	114.1	R215 L216 Q217 Q372	A213-R215 PolarHBondContact O-N 2.86Å; A213-L216 WeakPolarHBondContact O-CB 3.37Å; A213-L216 PolarHBondContact O-N 2.89Å; A213-L216 VanDerWaalsContact O-N 3.12Å; A213-Q217 PolarHBondContact O-N 2.9Å; A213-Q217 VanDerWaalsContact O-N 3.1Å; A213-Q372 HydrophobicContact CB-CG 3.71Å; A213-Q372 VanDerWaalsContact CB-OE1 3.28Å
214	N	82.9	Confident	87.7	Confident	11 Å²	11	51.6 Å²	51.6	6%	0.059	24%	0.244	C	C	.	.	H	α-helix	trans	-59.4	-35.2	171.7	57.6	-8.4	0	0	0	111.2	E212 Q217 H218 H248 I254 F255	E212-N214 VanDerWaalsContact C-N 3.34Å; E212-N214 WeakPolarHBondContact CB-OD1 3.42Å; E212-N214 PolarHBondContact O-N 3.29Å; N214-Q217 PolarHBondContact O-N 2.86Å; N214-H218 WeakPolarHBondContact O-CB 3.31Å; N214-H218 PolarHBondContact O-N 3.09Å; N214-H248 HydrophobicContact CB-CB 3.85Å; N214-I254 HydrophobicContact CB-CG2 3.7Å; N214-I254 WeakPolarHBondContact ND2-CG2 3.42Å; N214-F255 PolarHBondContact ND2-O 3.33Å
215	R	87.2	Confident	88.1	Confident	108 Å²	108	51.9 Å²	51.9	41%	0.408	25%	0.245	S	C	.	.	H	α-helix	trans	-68.8	-34	174.5	-64.5	178.3	-179.7	-146.1	1.3	112.9	D210 E212 A213 H218 K219 I254	D210-R215 HydrophobicContact CB-CB 4.18Å; D210-R215 VanDerWaalsContact CG-CD 3.43Å; D210-R215 WeakPolarHBondContact OD1-CD 3.43Å; D210-R215 WeakPolarHBondContact OD2-CB 3.4Å; D210-R215 VanDerWaalsContact OD2-CD 3.26Å; D210-R215 WeakPolarHBondContact OD2-CD 3.49Å; E212-R215 HydrophobicContact CB-CG 4.26Å; E212-R215 WeakPolarHBondContact O-CB 3.3Å; E212-R215 PolarHBondContact O-N 3.31Å; E212-R215 IonicContact OE2-CZ 2.64Å; E212-R215 IonicContact OE2-NE 3.98Å; E212-R215 PolarHBondContact OE2-NE 2.95Å; E212-R215 IonicContact OE2-NH2 2.58Å; E212-R215 PolarHBondContact OE2-NH2 3.24Å; A213-R215 PolarHBondContact O-N 2.86Å; R215-H218 PolarHBondContact O-N 3.06Å; R215-K219 WeakPolarHBondContact O-CG 3.46Å; R215-K219 PolarHBondContact O-N 2.95Å; R215-I254 HydrophobicContact CG-CD1 3.94Å
216	L	89.3	Confident	88.4	Confident	6 Å²	6	56 Å²	56	3%	0.031	26%	0.259	C	S	.	.	H	α-helix	trans	-65.5	-45.1	174	-62.2	177.4	0	0	0	111.1	L208 D210 A213 H218 K219 V220 I364 L365 S368	L208-L216 HydrophobicContact CB-CD2 4.44Å; L208-L216 HydrophobicContact CD2-CD2 4.49Å; D210-L216 HydrophobicContact CB-CD2 3.74Å; D210-L216 HydrophobicContact CB-CG 4.01Å; A213-L216 WeakPolarHBondContact O-CB 3.37Å; A213-L216 PolarHBondContact O-N 2.89Å; A213-L216 VanDerWaalsContact O-N 3.12Å; L216-H218 VanDerWaalsContact C-N 3.32Å; L216-H218 PolarHBondContact O-N 3.16Å; L216-K219 PolarHBondContact O-N 2.79Å; L216-V220 WeakPolarHBondContact O-CG2 3.24Å; L216-V220 PolarHBondContact O-N 3.27Å; L216-I364 HydrophobicContact CD1-CG2 4.43Å; L216-L365 HydrophobicContact CB-CD2 4Å; L216-S368 VanDerWaalsContact CD1-OG 3.29Å; L216-S368 WeakPolarHBondContact CD1-OG 3.36Å
217	Q	89.7	Confident	88.9	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-60.7	-42.3	175	-67.4	-177.9	36.5	0	0	111.6	A213 N214 K219 V220 L221 H248 L365	A213-Q217 PolarHBondContact O-N 2.9Å; A213-Q217 VanDerWaalsContact O-N 3.1Å; N214-Q217 PolarHBondContact O-N 2.86Å; Q217-K219 PolarHBondContact O-N 2.97Å; Q217-V220 PolarHBondContact O-N 2.64Å; Q217-L221 WeakPolarHBondContact O-CB 3.24Å; Q217-L221 PolarHBondContact O-N 3.2Å; Q217-H248 VanDerWaalsContact CD-CD2 3.46Å; Q217-H248 PolarHBondContact NE2-CD2 3.45Å; Q217-H248 PolarHBondContact NE2-NE2 3.02Å; Q217-H248 PolarHBondContact OE1-CD2 3.35Å; Q217-L365 HydrophobicContact CG-CD2 3.88Å
218	H	92.3	Very high	89.2	Confident	22 Å²	22	50.8 Å²	50.8	10%	0.102	23%	0.227	C	C	.	.	H	α-helix	trans	-63.6	-39.5	177.1	176.1	-114.6	0	0	0	113.1	N214 R215 L216 V220 L221 R222 C249 G251 I254	N214-H218 WeakPolarHBondContact O-CB 3.31Å; N214-H218 PolarHBondContact O-N 3.09Å; R215-H218 PolarHBondContact O-N 3.06Å; L216-H218 VanDerWaalsContact C-N 3.32Å; L216-H218 PolarHBondContact O-N 3.16Å; H218-V220 VanDerWaalsContact C-N 3.32Å; H218-V220 PolarHBondContact O-N 3.17Å; H218-L221 PolarHBondContact O-N 3.47Å; H218-R222 VanDerWaalsContact O-CB 3.31Å; H218-R222 WeakPolarHBondContact O-CB 3.45Å; H218-R222 PolarHBondContact O-N 3.39Å; H218-C249 HydrophobicContact CB-CB 4.03Å; H218-G251 PolarHBondContact CD2-O 2.93Å; H218-G251 PolarHBondContact NE2-O 3.09Å; H218-I254 HydrophobicContact CB-CD1 3.89Å; H218-I254 HydrophobicContact CB-CG1 3.83Å
219	K	92.9	Very high	89.5	Confident	53 Å²	53	52.4 Å²	52.4	23%	0.23	24%	0.236	C	C	.	.	H	α-helix	trans	-59.9	-42.6	173.9	-73.4	171.6	-177.2	176.2	0	111.7	L204 S207 L208 W209 D210 R215 L216 Q217 Y223	L204-K219 HydrophobicContact CD1-CB 4.49Å; S207-K219 WeakPolarHBondContact O-CD 3.1Å; S207-K219 PolarHBondContact O-NZ 3.5Å; L208-K219 HydrophobicContact CD2-CB 4.17Å; W209-K219 PolarHBondContact O-NZ 3.04Å; D210-K219 IonicContact OD2-NZ 3.38Å; R215-K219 WeakPolarHBondContact O-CG 3.46Å; R215-K219 PolarHBondContact O-N 2.95Å; L216-K219 PolarHBondContact O-N 2.79Å; Q217-K219 PolarHBondContact O-N 2.97Å; K219-Y223 PolarHBondContact O-N 3.41Å; K219-Y223 VanDerWaalsContact O-N 3.13Å
220	V	93.7	Very high	90.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.6	-48	176.1	173.5	0	0	0	0	111	L208 L216 Q217 H218 R222 Y223 V224 I235 F358 V361 L365	L208-V220 HydrophobicContact CD1-CG2 4.47Å; L208-V220 HydrophobicContact CD2-CG2 3.77Å; L216-V220 WeakPolarHBondContact O-CG2 3.24Å; L216-V220 PolarHBondContact O-N 3.27Å; Q217-V220 PolarHBondContact O-N 2.64Å; H218-V220 VanDerWaalsContact C-N 3.32Å; H218-V220 PolarHBondContact O-N 3.17Å; V220-R222 VanDerWaalsContact C-N 3.33Å; V220-R222 PolarHBondContact O-N 3.39Å; V220-Y223 WeakPolarHBondContact O-CB 3.45Å; V220-Y223 PolarHBondContact O-N 3.39Å; V220-V224 HydrophobicContact CG1-CG2 4.49Å; V220-V224 WeakPolarHBondContact O-CG2 3.28Å; V220-V224 PolarHBondContact O-N 2.92Å; V220-I235 HydrophobicContact CB-CD1 4.36Å; V220-I235 HydrophobicContact CG1-CD1 4.15Å; V220-F358 HydrophobicContact CG1-CE1 4.34Å; V220-F358 HydrophobicContact CG1-CE2 3.82Å; V220-F358 HydrophobicContact CG1-CZ 3.68Å; V220-V361 HydrophobicContact CG1-CG2 3.78Å; V220-V361 HydrophobicContact CG2-CB 4.04Å; V220-V361 HydrophobicContact CG2-CG1 4.3Å; V220-V361 HydrophobicContact CG2-CG2 3.87Å; V220-L365 HydrophobicContact CB-CD1 4.4Å; V220-L365 HydrophobicContact CG1-CD1 4.34Å; V220-L365 HydrophobicContact CG2-CD1 4.14Å; V220-L365 HydrophobicContact CG2-CD2 4.2Å; V220-L365 HydrophobicContact CG2-CG 4.44Å
221	L	94.7	Very high	90.6	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-57	-48	178.7	175.5	60.8	0	0	0	111.2	Q217 H218 Y223 V224 M225 I235 C249	Q217-L221 WeakPolarHBondContact O-CB 3.24Å; Q217-L221 PolarHBondContact O-N 3.2Å; H218-L221 PolarHBondContact O-N 3.47Å; L221-Y223 PolarHBondContact O-N 3.3Å; L221-V224 PolarHBondContact O-N 3.18Å; L221-M225 HydrophobicContact CD1-CG 3.98Å; L221-M225 HydrophobicContact CD1-SD 3.84Å; L221-M225 HydrophobicContact CD2-SD 4.3Å; L221-M225 HydrophobicContact CG-CG 4.33Å; L221-M225 HydrophobicContact CG-SD 3.73Å; L221-M225 WeakPolarHBondContact O-CB 3.38Å; L221-M225 VanDerWaalsContact O-CG 3.31Å; L221-M225 WeakPolarHBondContact O-CG 3.28Å; L221-M225 PolarHBondContact O-N 2.89Å; L221-I235 HydrophobicContact CB-CD1 3.95Å; L221-I235 HydrophobicContact CB-CG1 4.25Å; L221-I235 HydrophobicContact CD1-CG1 4.26Å; L221-C249 HydrophobicContact CD2-CB 4.42Å
222	R	94.5	Very high	91.3	Very high	118 Å²	118	40.9 Å²	40.9	45%	0.445	18%	0.181	S	C	.	.	H	α-helix	trans	-58.4	-46.7	178.3	-171.1	-175.6	-161.3	135.9	11.9	111.9	H218 V220 V224 M225 E226	H218-R222 VanDerWaalsContact O-CB 3.31Å; H218-R222 WeakPolarHBondContact O-CB 3.45Å; H218-R222 PolarHBondContact O-N 3.39Å; V220-R222 VanDerWaalsContact C-N 3.33Å; V220-R222 PolarHBondContact O-N 3.39Å; R222-V224 VanDerWaalsContact C-N 3.35Å; R222-V224 PolarHBondContact O-N 3.16Å; R222-M225 PolarHBondContact O-N 3.45Å; R222-E226 HydrophobicContact CG-CG 4.46Å; R222-E226 WeakPolarHBondContact CG-OE1 3.44Å; R222-E226 IonicContact NE-OE1 3.96Å; R222-E226 PolarHBondContact NE-OE1 2.82Å; R222-E226 WeakPolarHBondContact O-CB 2.94Å; R222-E226 VanDerWaalsContact O-CG 3.32Å; R222-E226 WeakPolarHBondContact O-CG 2.77Å; R222-E226 PolarHBondContact O-N 3.49Å
223	Y	94.9	Very high	92	Very high	32 Å²	32	37 Å²	37	13%	0.125	16%	0.163	C	C	.	.	H	α-helix	trans	-57.2	-48.7	175.9	173.1	-89.6	0	0	0	111.5	L200 I201 L204 K219 V220 L221 M225 E226 R227 C357	L200-Y223 HydrophobicContact CB-CE2 4.07Å; I201-Y223 HydrophobicContact CD1-CE1 3.94Å; L204-Y223 HydrophobicContact CB-CD2 3.94Å; L204-Y223 HydrophobicContact CB-CE2 4.19Å; L204-Y223 HydrophobicContact CB-CG 4.37Å; L204-Y223 HydrophobicContact CD1-CG 4.35Å; L204-Y223 HydrophobicContact CD2-CD1 3.73Å; L204-Y223 HydrophobicContact CD2-CD2 4.06Å; L204-Y223 HydrophobicContact CD2-CE1 4.22Å; L204-Y223 HydrophobicContact CD2-CE2 4.49Å; L204-Y223 HydrophobicContact CD2-CG 3.65Å; L204-Y223 HydrophobicContact CG-CD2 4.39Å; L204-Y223 HydrophobicContact CG-CG 4.33Å; K219-Y223 PolarHBondContact O-N 3.41Å; K219-Y223 VanDerWaalsContact O-N 3.13Å; V220-Y223 WeakPolarHBondContact O-CB 3.45Å; V220-Y223 PolarHBondContact O-N 3.39Å; L221-Y223 PolarHBondContact O-N 3.3Å; Y223-M225 PolarHBondContact O-N 3.46Å; Y223-E226 PolarHBondContact O-N 3.49Å; Y223-R227 HydrophobicContact CD1-CG 4.19Å; Y223-R227 HydrophobicContact CD2-CG 4.33Å; Y223-R227 HydrophobicContact CE1-CG 3.9Å; Y223-R227 HydrophobicContact CE2-CG 4.08Å; Y223-R227 HydrophobicContact CG-CG 4.39Å; Y223-R227 VanDerWaalsContact O-CB 3.3Å; Y223-R227 WeakPolarHBondContact O-CB 3.47Å; Y223-R227 WeakPolarHBondContact O-CG 3.48Å; Y223-R227 PolarHBondContact O-N 3.4Å; Y223-C357 HydrophobicContact CD1-CB 4.38Å; Y223-C357 HydrophobicContact CE1-CB 4.08Å
224	V	94.9	Very high	92.7	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	16%	0.16	C	C	.	.	H	α-helix	trans	-64.1	-43.6	-179.8	176.1	0	0	0	0	110.9	V220 L221 R222 R227 T228 V336 L338 I354 C357 F358	V220-V224 HydrophobicContact CG1-CG2 4.49Å; V220-V224 WeakPolarHBondContact O-CG2 3.28Å; V220-V224 PolarHBondContact O-N 2.92Å; L221-V224 PolarHBondContact O-N 3.18Å; R222-V224 VanDerWaalsContact C-N 3.35Å; R222-V224 PolarHBondContact O-N 3.16Å; V224-R227 PolarHBondContact O-N 3.34Å; V224-T228 HydrophobicContact CG1-CG2 4.25Å; V224-T228 WeakPolarHBondContact O-CB 3.46Å; V224-T228 WeakPolarHBondContact O-CG2 3.26Å; V224-T228 PolarHBondContact O-N 3.19Å; V224-T228 PolarHBondContact O-OG1 3.01Å; V224-V336 HydrophobicContact CG1-CG1 4.2Å; V224-L338 HydrophobicContact CG1-CD1 3.81Å; V224-L338 HydrophobicContact CG1-CD2 3.92Å; V224-L338 HydrophobicContact CG1-CG 4.35Å; V224-I354 HydrophobicContact CG1-CG1 3.75Å; V224-C357 HydrophobicContact CG2-CB 4.24Å; V224-F358 HydrophobicContact CG2-CE2 4.32Å
225	M	96	Very high	93.2	Very high	15 Å²	15	36.2 Å²	36.2	7%	0.074	16%	0.158	C	C	.	.	H	α-helix	trans	-61.6	-45.5	178.3	-73.8	174.5	53.8	0	0	112.2	L221 R222 Y223 R227 T228 N229 S230 E231 L338	L221-M225 HydrophobicContact CD1-CG 3.98Å; L221-M225 HydrophobicContact CD1-SD 3.84Å; L221-M225 HydrophobicContact CD2-SD 4.3Å; L221-M225 HydrophobicContact CG-CG 4.33Å; L221-M225 HydrophobicContact CG-SD 3.73Å; L221-M225 WeakPolarHBondContact O-CB 3.38Å; L221-M225 VanDerWaalsContact O-CG 3.31Å; L221-M225 WeakPolarHBondContact O-CG 3.28Å; L221-M225 PolarHBondContact O-N 2.89Å; R222-M225 PolarHBondContact O-N 3.45Å; Y223-M225 PolarHBondContact O-N 3.46Å; M225-R227 VanDerWaalsContact C-N 3.34Å; M225-R227 PolarHBondContact O-N 2.84Å; M225-T228 PolarHBondContact O-N 2.92Å; M225-T228 PolarHBondContact O-OG1 2.86Å; M225-N229 WeakPolarHBondContact O-CA 3.44Å; M225-N229 PolarHBondContact O-N 3.11Å; M225-S230 PolarHBondContact O-N 3.44Å; M225-E231 WeakPolarHBondContact CE-O 3.21Å; M225-L338 HydrophobicContact CG-CD2 3.88Å
226	E	94	Very high	93.4	Very high	131 Å²	131	31.1 Å²	31.1	61%	0.612	14%	0.138	S	C	*	.	H	α-helix	trans	-63	-41	177.2	-73.4	173.8	-173.9	0	0	111.4	R222 Y223	R222-E226 HydrophobicContact CG-CG 4.46Å; R222-E226 WeakPolarHBondContact CG-OE1 3.44Å; R222-E226 IonicContact NE-OE1 3.96Å; R222-E226 PolarHBondContact NE-OE1 2.82Å; R222-E226 WeakPolarHBondContact O-CB 2.94Å; R222-E226 VanDerWaalsContact O-CG 3.32Å; R222-E226 WeakPolarHBondContact O-CG 2.77Å; R222-E226 PolarHBondContact O-N 3.49Å; Y223-E226 PolarHBondContact O-N 3.49Å
227	R	93.3	Very high	93.3	Very high	85 Å²	85	30.8 Å²	30.8	32%	0.321	14%	0.137	S	C	.	.	H	α-helix	trans	-72.6	-28.1	-179	-71.2	-65.3	-56.3	167	-0.7	114.2	D197 Y223 V224 M225 I353	D197-R227 IonicContact OD1-CZ 3.19Å; D197-R227 VanDerWaalsContact OD1-CZ 3.26Å; D197-R227 IonicContact OD1-NH1 2.76Å; D197-R227 PolarHBondContact OD1-NH1 2.88Å; D197-R227 IonicContact OD1-NH2 2.76Å; D197-R227 PolarHBondContact OD1-NH2 2.67Å; Y223-R227 HydrophobicContact CD1-CG 4.19Å; Y223-R227 HydrophobicContact CD2-CG 4.33Å; Y223-R227 HydrophobicContact CE1-CG 3.9Å; Y223-R227 HydrophobicContact CE2-CG 4.08Å; Y223-R227 HydrophobicContact CG-CG 4.39Å; Y223-R227 VanDerWaalsContact O-CB 3.3Å; Y223-R227 WeakPolarHBondContact O-CB 3.47Å; Y223-R227 WeakPolarHBondContact O-CG 3.48Å; Y223-R227 PolarHBondContact O-N 3.4Å; V224-R227 PolarHBondContact O-N 3.34Å; M225-R227 VanDerWaalsContact C-N 3.34Å; M225-R227 PolarHBondContact O-N 2.84Å; R227-I353 HydrophobicContact CB-CD1 4.45Å; R227-I353 HydrophobicContact CB-CG2 3.69Å
228	T	93.8	Very high	93.1	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.012	15%	0.151	C	C	.	.	H	α-helix	trans	-100.4	-0.7	-179.7	56.8	0	0	0	0	113	V224 M225 S230 L338 K341 D350 I353	V224-T228 HydrophobicContact CG1-CG2 4.25Å; V224-T228 WeakPolarHBondContact O-CB 3.46Å; V224-T228 WeakPolarHBondContact O-CG2 3.26Å; V224-T228 PolarHBondContact O-N 3.19Å; V224-T228 PolarHBondContact O-OG1 3.01Å; M225-T228 PolarHBondContact O-N 2.92Å; M225-T228 PolarHBondContact O-OG1 2.86Å; T228-S230 PolarHBondContact O-N 3.33Å; T228-L338 HydrophobicContact CG2-CD1 3.81Å; T228-L338 WeakPolarHBondContact OG1-CD1 3.46Å; T228-K341 VanDerWaalsContact O-CE 3.24Å; T228-K341 WeakPolarHBondContact O-CE 3.39Å; T228-D350 HydrophobicContact CG2-CB 3.95Å; T228-I353 HydrophobicContact CG2-CB 4.31Å; T228-I353 HydrophobicContact CG2-CD1 4.31Å; T228-I353 HydrophobicContact CG2-CG2 4.07Å
229	N	94.9	Very high	92.3	Very high	52 Å²	52	33.9 Å²	33.9	28%	0.278	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	38.2	-174.8	-159.2	20.6	0	0	0	113	M225 R342 D343	M225-N229 WeakPolarHBondContact O-CA 3.44Å; M225-N229 PolarHBondContact O-N 3.11Å; N229-R342 PolarHBondContact O-N 3.48Å; N229-D343 PolarHBondContact ND2-OD2 3.05Å
230	S	94.5	Very high	91.3	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.014	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	138.9	177.5	-163.4	0	0	0	0	110.9	M225 T228 N232 I339	M225-S230 PolarHBondContact O-N 3.44Å; T228-S230 PolarHBondContact O-N 3.33Å; S230-N232 PolarHBondContact OG-O 2.77Å; S230-I339 PolarHBondContact OG-N 3.05Å; S230-I339 PolarHBondContact OG-O 3.49Å
231	E	92.6	Very high	90	Very high	98 Å²	98	41.9 Å²	41.9	46%	0.458	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	-44.4	175.8	-174.8	-174.7	-179.9	0	0	111.3	M225 I339 N340 R342	M225-E231 WeakPolarHBondContact CE-O 3.21Å; E231-I339 PolarHBondContact N-O 3.05Å; E231-N340 HydrophobicContact CB-CB 3.78Å; E231-N340 VanDerWaalsContact CB-O 3.22Å; E231-N340 WeakPolarHBondContact CB-O 3.35Å; E231-N340 PolarHBondContact N-O 2.86Å; E231-N340 WeakPolarHBondContact OE2-CB 3.26Å; E231-N340 PolarHBondContact OE2-ND2 2.83Å; E231-R342 HydrophobicContact CB-CG 4.37Å
232	N	92.5	Very high	88.7	Confident	33 Å²	33	45.3 Å²	45.3	18%	0.176	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	175.6	-178.2	-148.8	-30.1	0	0	0	110.4	S230 G251 I339	S230-N232 PolarHBondContact OG-O 2.77Å; N232-G251 WeakPolarHBondContact OD1-CA 3.16Å; N232-G251 PolarHBondContact OD1-N 2.83Å; N232-G251 VanDerWaalsContact OD1-N 3.08Å; N232-I339 HydrophobicContact CB-CB 4.25Å; N232-I339 PolarHBondContact N-O 2.92Å; N232-I339 VanDerWaalsContact N-O 3.07Å; N232-I339 PolarHBondContact O-N 3.06Å
233	G	93.4	Very high	87.7	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.3	175.4	177.2	0	0	0	0	0	112.3	T250 G251 C337	G233-T250 CarbonylContact O-C 3.57Å; G233-T250 VanDerWaalsContact O-CA 3.31Å; G233-T250 WeakPolarHBondContact O-CA 3.25Å; G233-G251 PolarHBondContact O-N 2.89Å; G233-C337 CarbonylContact C-O 3.53Å; G233-C337 WeakPolarHBondContact CA-O 3.42Å
234	F	94.4	Very high	86.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	165.2	174.9	50.7	-91.6	0	0	0	110.9	V236 C249 T250 F267 L290 I293 L294 C337	F234-V236 HydrophobicContact CD2-CG2 3.69Å; F234-V236 HydrophobicContact CE2-CG2 3.65Å; F234-C249 WeakPolarHBondContact CB-O 3.05Å; F234-T250 HydrophobicContact CB-CG2 3.77Å; F234-T250 HydrophobicContact CD1-CG2 4.21Å; F234-T250 HydrophobicContact CG-CG2 4.23Å; F234-F267 HydrophobicContact CE2-CE1 4.12Å; F234-F267 AromaticContact CE2-CZ 3.77Å; F234-F267 HydrophobicContact CE2-CZ 3.77Å; F234-F267 HydrophobicContact CZ-CZ 4.11Å; F234-L290 HydrophobicContact CE1-CD2 4.31Å; F234-L290 HydrophobicContact CZ-CD2 3.59Å; F234-I293 HydrophobicContact CD1-CG2 4.2Å; F234-I293 HydrophobicContact CD2-CG2 4.01Å; F234-I293 HydrophobicContact CE1-CG2 4.22Å; F234-I293 HydrophobicContact CE2-CD1 3.96Å; F234-I293 HydrophobicContact CE2-CG2 4.03Å; F234-I293 HydrophobicContact CG-CG2 4.09Å; F234-I293 HydrophobicContact CZ-CB 4.29Å; F234-I293 HydrophobicContact CZ-CD1 4.15Å; F234-I293 HydrophobicContact CZ-CG2 4.11Å; F234-L294 HydrophobicContact CD1-CD2 3.78Å; F234-L294 HydrophobicContact CD1-CG 4.37Å; F234-L294 HydrophobicContact CE1-CD2 3.97Å; F234-L294 HydrophobicContact CE1-CG 4.07Å; F234-C337 HydrophobicContact CD1-CB 4.32Å; F234-C337 HydrophobicContact CD2-CB 3.83Å; F234-C337 HydrophobicContact CE1-CB 4.1Å; F234-C337 HydrophobicContact CE2-CB 3.58Å; F234-C337 HydrophobicContact CG-CB 4.2Å; F234-C337 HydrophobicContact CZ-CB 3.74Å; F234-C337 PolarHBondContact N-O 3.23Å; F234-C337 PolarHBondContact O-N 3.14Å
235	I	93.3	Very high	86.4	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120.3	177.1	-54.3	170.4	0	0	0	107.8	V220 L221 M237 A334 F358	V220-I235 HydrophobicContact CB-CD1 4.36Å; V220-I235 HydrophobicContact CG1-CD1 4.15Å; L221-I235 HydrophobicContact CB-CD1 3.95Å; L221-I235 HydrophobicContact CB-CG1 4.25Å; L221-I235 HydrophobicContact CD1-CG1 4.26Å; I235-M237 HydrophobicContact CG2-CG 3.94Å; I235-M237 HydrophobicContact CG2-SD 3.68Å; I235-A334 HydrophobicContact CG2-CB 4.32Å; I235-F358 HydrophobicContact CD1-CZ 4.01Å; I235-F358 HydrophobicContact CG2-CZ 4.49Å
236	V	91.7	Very high	85.8	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	107.2	172	179.7	0	0	0	0	107.9	F234 L245 I261 F267 A334 V335	F234-V236 HydrophobicContact CD2-CG2 3.69Å; F234-V236 HydrophobicContact CE2-CG2 3.65Å; V236-L245 HydrophobicContact CG1-CB 3.68Å; V236-L245 HydrophobicContact CG1-CD1 3.99Å; V236-L245 HydrophobicContact CG1-CD2 4.2Å; V236-L245 HydrophobicContact CG1-CG 4.18Å; V236-I261 HydrophobicContact CB-CD1 4.12Å; V236-I261 HydrophobicContact CG1-CD1 3.41Å; V236-I261 VanDerWaalsContact CG1-CD1 3.41Å; V236-I261 HydrophobicContact CG2-CD1 3.6Å; V236-F267 HydrophobicContact CG1-CG 4.43Å; V236-F267 HydrophobicContact CG2-CD1 4.12Å; V236-F267 HydrophobicContact CG2-CE1 3.9Å; V236-F267 HydrophobicContact CG2-CE2 4.39Å; V236-F267 HydrophobicContact CG2-CG 4.47Å; V236-F267 HydrophobicContact CG2-CZ 4.03Å; V236-A334 CarbonylContact O-C 3.5Å; V236-A334 WeakPolarHBondContact O-CA 3.24Å; V236-A334 WeakPolarHBondContact O-CB 3.42Å; V236-V335 HydrophobicContact CB-CB 4.41Å; V236-V335 PolarHBondContact N-O 3.49Å; V236-V335 PolarHBondContact O-N 3.1Å
237	M	88.5	Confident	85.5	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	143.5	177.5	-62.1	-72.1	-60.7	0	0	109.6	I235 L245 V246 I333 A334 L365 L366 L369	I235-M237 HydrophobicContact CG2-CG 3.94Å; I235-M237 HydrophobicContact CG2-SD 3.68Å; M237-L245 WeakPolarHBondContact O-CA 3.47Å; M237-V246 HydrophobicContact CB-CG2 4.19Å; M237-V246 PolarHBondContact N-O 2.81Å; M237-V246 WeakPolarHBondContact O-CG2 2.95Å; M237-V246 PolarHBondContact O-N 3.08Å; M237-I333 HydrophobicContact CE-CD1 4.39Å; M237-A334 HydrophobicContact CE-CB 4.26Å; M237-A334 HydrophobicContact CG-CB 4.41Å; M237-A334 HydrophobicContact SD-CB 3.32Å; M237-A334 WeakPolarHBondContact SD-CB 3.4Å; M237-L365 HydrophobicContact CE-CB 4.31Å; M237-L366 HydrophobicContact CE-CD2 3.97Å; M237-L369 HydrophobicContact CB-CD2 3.84Å; M237-L369 HydrophobicContact CE-CD2 4.3Å; M237-L369 HydrophobicContact CG-CD2 4.43Å
238	R	85.2	Confident	85.1	Confident	82 Å²	82	33.8 Å²	33.8	31%	0.309	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	124.3	168.9	-174	174.9	-179.8	-172.3	-1.2	109.8	I240 S243 L245 M271 I333	R238-I240 PolarHBondContact O-N 3.36Å; R238-S243 PolarHBondContact NH2-OG 2.85Å; R238-L245 HydrophobicContact CB-CD2 3.84Å; R238-L245 HydrophobicContact CG-CD2 4.12Å; R238-M271 HydrophobicContact CB-CE 3.63Å; R238-M271 HydrophobicContact CG-CE 4.36Å; R238-I333 PolarHBondContact N-O 3.07Å
239	N	75.8	Confident	84.8	Confident	6 Å²	6	33.7 Å²	33.7	3%	0.032	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-65.2	119.5	167.4	-173.4	-32.9	0	0	0	108.6	D241 T242 S243 E244 N373	N239-D241 PolarHBondContact O-N 3.3Å; N239-D241 PolarHBondContact OD1-N 2.96Å; N239-T242 WeakPolarHBondContact CB-OG1 3.09Å; N239-T242 VanDerWaalsContact CG-OG1 3.3Å; N239-T242 PolarHBondContact ND2-OG1 2.85Å; N239-T242 PolarHBondContact OD1-N 3.06Å; N239-S243 WeakPolarHBondContact O-CA 3.32Å; N239-S243 PolarHBondContact O-N 3.35Å; N239-E244 WeakPolarHBondContact CB-O 3.47Å; N239-E244 PolarHBondContact N-O 2.71Å; N239-N373 VanDerWaalsContact CG-ND2 3.28Å; N239-N373 PolarHBondContact ND2-ND2 2.77Å; N239-N373 PolarHBondContact OD1-ND2 3.32Å
240	I	70.7	Confident	84.5	Confident	112 Å²	112	31.6 Å²	31.6	57%	0.574	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-34.1	-176.1	-64.5	168.1	0	0	0	111.1	R238 L366	R238-I240 PolarHBondContact O-N 3.36Å; I240-L366 HydrophobicContact CD1-CD2 4.03Å
241	D	65.9	Low	84.2	Confident	109 Å²	109	31.6 Å²	31.6	58%	0.583	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-45.3	-174.6	-59.6	-48.1	0	0	0	112.1	N239	N239-D241 PolarHBondContact O-N 3.3Å; N239-D241 PolarHBondContact OD1-N 2.96Å
242	T	68.6	Low	83.8	Confident	72 Å²	72	32.6 Å²	32.6	44%	0.442	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-12.4	-177.1	69.9	0	0	0	0	113.6	N239 E244	N239-T242 WeakPolarHBondContact CB-OG1 3.09Å; N239-T242 VanDerWaalsContact CG-OG1 3.3Å; N239-T242 PolarHBondContact ND2-OG1 2.85Å; N239-T242 PolarHBondContact OD1-N 3.06Å; T242-E244 VanDerWaalsContact CB-OE2 3.29Å; T242-E244 WeakPolarHBondContact CB-OE2 3.34Å; T242-E244 PolarHBondContact O-N 2.99Å; T242-E244 VanDerWaalsContact O-N 3.13Å; T242-E244 WeakPolarHBondContact OG1-CB 3.31Å; T242-E244 WeakPolarHBondContact OG1-CG 2.91Å; T242-E244 PolarHBondContact OG1-N 3.44Å; T242-E244 PolarHBondContact OG1-OE2 3.44Å
243	S	72.2	Confident	83.4	Confident	50 Å²	50	34.2 Å²	34.2	35%	0.35	18%	0.178	S	C	.	.			trans	60.1	4	-168	-68.8	0	0	0	0	115.4	R238 N239	R238-S243 PolarHBondContact NH2-OG 2.85Å; N239-S243 WeakPolarHBondContact O-CA 3.32Å; N239-S243 PolarHBondContact O-N 3.35Å
244	E	77.4	Confident	82.9	Confident	84 Å²	84	37.4 Å²	37.4	39%	0.393	20%	0.195	S	C	.	.			trans	-73.5	147.9	179.1	-64.1	168.5	135.3	0	0	111	N239 T242 Y260	N239-E244 WeakPolarHBondContact CB-O 3.47Å; N239-E244 PolarHBondContact N-O 2.71Å; T242-E244 VanDerWaalsContact CB-OE2 3.29Å; T242-E244 WeakPolarHBondContact CB-OE2 3.34Å; T242-E244 PolarHBondContact O-N 2.99Å; T242-E244 VanDerWaalsContact O-N 3.13Å; T242-E244 WeakPolarHBondContact OG1-CB 3.31Å; T242-E244 WeakPolarHBondContact OG1-CG 2.91Å; T242-E244 PolarHBondContact OG1-N 3.44Å; T242-E244 PolarHBondContact OG1-OE2 3.44Å; E244-Y260 HydrophobicContact CB-CD1 3.97Å; E244-Y260 HydrophobicContact CB-CE1 4.17Å; E244-Y260 HydrophobicContact CG-CD1 4.5Å; E244-Y260 WeakPolarHBondContact OE2-CE1 3.32Å
245	L	85.3	Confident	82.1	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	125	176.1	-61.7	-172.8	0	0	0	110	V236 M237 R238 I261 D264 F267 M271	V236-L245 HydrophobicContact CG1-CB 3.68Å; V236-L245 HydrophobicContact CG1-CD1 3.99Å; V236-L245 HydrophobicContact CG1-CD2 4.2Å; V236-L245 HydrophobicContact CG1-CG 4.18Å; M237-L245 WeakPolarHBondContact O-CA 3.47Å; R238-L245 HydrophobicContact CB-CD2 3.84Å; R238-L245 HydrophobicContact CG-CD2 4.12Å; L245-I261 HydrophobicContact CB-CB 4.27Å; L245-I261 HydrophobicContact CB-CD1 4.1Å; L245-I261 HydrophobicContact CB-CG1 4.46Å; L245-I261 PolarHBondContact O-N 3.45Å; L245-D264 HydrophobicContact CD1-CB 3.91Å; L245-D264 HydrophobicContact CG-CB 4.42Å; L245-F267 HydrophobicContact CD1-CB 3.34Å; L245-F267 HydrophobicContact CD1-CG 4.26Å; L245-M271 HydrophobicContact CD2-CE 4.31Å
246	V	84	Confident	80.8	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.012	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139.7	-177.4	-66.6	0	0	0	0	110.9	M237 T259 Y260 L369	M237-V246 HydrophobicContact CB-CG2 4.19Å; M237-V246 PolarHBondContact N-O 2.81Å; M237-V246 WeakPolarHBondContact O-CG2 2.95Å; M237-V246 PolarHBondContact O-N 3.08Å; V246-T259 WeakPolarHBondContact CA-O 3.35Å; V246-Y260 HydrophobicContact CG1-CD1 3.7Å; V246-Y260 HydrophobicContact CG1-CE1 3.66Å; V246-Y260 HydrophobicContact CG1-CG 4.38Å; V246-L369 HydrophobicContact CG2-CD2 4.47Å
247	C	88.1	Confident	79.6	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.2	172.3	-176.2	0	0	0	0	109.1	C249 F255 T259 I293	C247-C249 PolarHBondContact SG-O 3.48Å; C247-C249 VanDerWaalsContact SG-O 3.35Å; C247-F255 HydrophobicContact CB-CE2 4.44Å; C247-F255 WeakPolarHBondContact O-CD2 3.44Å; C247-T259 PolarHBondContact N-O 2.79Å; C247-T259 PolarHBondContact O-N 3.3Å; C247-I293 HydrophobicContact CB-CG2 4.46Å
248	H	85.1	Confident	78.7	Confident	3 Å²	3	56.3 Å²	56.3	1%	0.014	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	-12.2	-177.8	-63.5	-97.3	0	0	0	114	N214 Q217 F255 S258 L369	N214-H248 HydrophobicContact CB-CB 3.85Å; Q217-H248 VanDerWaalsContact CD-CD2 3.46Å; Q217-H248 PolarHBondContact NE2-CD2 3.45Å; Q217-H248 PolarHBondContact NE2-NE2 3.02Å; Q217-H248 PolarHBondContact OE1-CD2 3.35Å; H248-F255 PolarHBondContact O-N 2.9Å; H248-S258 PolarHBondContact CE1-OG 3.41Å; H248-S258 PolarHBondContact ND1-OG 3.1Å; H248-L369 VanDerWaalsContact NE2-CD1 3.34Å; H248-L369 WeakPolarHBondContact NE2-CD1 3.29Å
249	C	87.1	Confident	78	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	148.6	-178.9	56	0	0	0	0	111.3	H218 L221 F234 C247 E253	H218-C249 HydrophobicContact CB-CB 4.03Å; L221-C249 HydrophobicContact CD2-CB 4.42Å; F234-C249 WeakPolarHBondContact CB-O 3.05Å; C247-C249 PolarHBondContact SG-O 3.48Å; C247-C249 VanDerWaalsContact SG-O 3.35Å; C249-E253 CarbonylContact C-O 3.58Å; C249-E253 WeakPolarHBondContact CA-O 3.5Å; C249-E253 WeakPolarHBondContact CB-O 3.4Å
250	T	88.9	Confident	77.8	Confident	7 Å²	7	58.5 Å²	58.5	4%	0.043	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	122.2	174.2	49.7	0	0	0	0	109.1	G233 F234 N252 E253 F255 I293 L294	G233-T250 CarbonylContact O-C 3.57Å; G233-T250 VanDerWaalsContact O-CA 3.31Å; G233-T250 WeakPolarHBondContact O-CA 3.25Å; F234-T250 HydrophobicContact CB-CG2 3.77Å; F234-T250 HydrophobicContact CD1-CG2 4.21Å; F234-T250 HydrophobicContact CG-CG2 4.23Å; T250-N252 PolarHBondContact O-N 2.95Å; T250-E253 PolarHBondContact N-O 3.42Å; T250-E253 WeakPolarHBondContact O-CB 3.29Å; T250-E253 PolarHBondContact O-N 3.39Å; T250-F255 HydrophobicContact CG2-CE2 4.1Å; T250-F255 HydrophobicContact CG2-CZ 3.54Å; T250-F255 WeakPolarHBondContact OG1-CZ 3.38Å; T250-I293 HydrophobicContact CG2-CG2 3.99Å; T250-L294 HydrophobicContact CG2-CD2 4.34Å
251	G	88.6	Confident	78.1	Confident	3 Å²	3	54 Å²	54	3%	0.031	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	-114.6	-177.8	0	0	0	0	0	111.5	H218 N232 G233	H218-G251 PolarHBondContact CD2-O 2.93Å; H218-G251 PolarHBondContact NE2-O 3.09Å; N232-G251 WeakPolarHBondContact OD1-CA 3.16Å; N232-G251 PolarHBondContact OD1-N 2.83Å; N232-G251 VanDerWaalsContact OD1-N 3.08Å; G233-G251 PolarHBondContact O-N 2.89Å
252	N	84.1	Confident	78.1	Confident	119 Å²	119	56 Å²	56	64%	0.636	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	1.6	177.7	-64.8	-45.9	0	0	0	113.7	T250	T250-N252 PolarHBondContact O-N 2.95Å
253	E	82.8	Confident	78.1	Confident	67 Å²	67	57 Å²	57	31%	0.313	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	137.7	-175.8	-61.6	-174.8	175.9	0	0	111	C249 T250 H297	C249-E253 CarbonylContact C-O 3.58Å; C249-E253 WeakPolarHBondContact CA-O 3.5Å; C249-E253 WeakPolarHBondContact CB-O 3.4Å; T250-E253 PolarHBondContact N-O 3.42Å; T250-E253 WeakPolarHBondContact O-CB 3.29Å; T250-E253 PolarHBondContact O-N 3.39Å; E253-H297 IonicContact OE2-CG 3.15Å
254	I	83.5	Confident	78.3	Confident	66 Å²	66	57.3 Å²	57.3	34%	0.338	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.5	175.9	-50.9	-179.9	0	0	0	107.4	N214 R215 H218	N214-I254 HydrophobicContact CB-CG2 3.7Å; N214-I254 WeakPolarHBondContact ND2-CG2 3.42Å; R215-I254 HydrophobicContact CG-CD1 3.94Å; H218-I254 HydrophobicContact CB-CD1 3.89Å; H218-I254 HydrophobicContact CB-CG1 3.83Å
255	F	77.3	Confident	78.6	Confident	18 Å²	18	55.8 Å²	55.8	8%	0.079	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	134.1	176.4	-51.1	-33.1	0	0	0	110	N214 C247 H248 T250 E257 T259 V296	N214-F255 PolarHBondContact ND2-O 3.33Å; C247-F255 HydrophobicContact CB-CE2 4.44Å; C247-F255 WeakPolarHBondContact O-CD2 3.44Å; H248-F255 PolarHBondContact O-N 2.9Å; T250-F255 HydrophobicContact CG2-CE2 4.1Å; T250-F255 HydrophobicContact CG2-CZ 3.54Å; T250-F255 WeakPolarHBondContact OG1-CZ 3.38Å; F255-E257 VanDerWaalsContact C-N 3.33Å; F255-E257 VanDerWaalsContact CB-O 3.26Å; F255-E257 WeakPolarHBondContact CB-O 3.35Å; F255-T259 WeakPolarHBondContact CD2-OG1 3.41Å; F255-V296 HydrophobicContact CE1-CB 4.46Å; F255-V296 HydrophobicContact CZ-CB 4.16Å; F255-V296 HydrophobicContact CZ-CG1 4.43Å
256	E	66.7	Low	78.7	Confident	196 Å²	196	56 Å²	56	92%	0.916	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	-40.8	174.4	-73.2	-169.9	164.3	0	0	111.2
257	E	66.1	Low	79.1	Confident	149 Å²	149	56 Å²	56	70%	0.696	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	143.2	173.4	-66.2	-171.4	165.5	0	0	110.7	F255 T259	F255-E257 VanDerWaalsContact C-N 3.33Å; F255-E257 VanDerWaalsContact CB-O 3.26Å; F255-E257 WeakPolarHBondContact CB-O 3.35Å; E257-T259 PolarHBondContact O-N 3.01Å
258	S	70.2	Confident	79.1	Confident	35 Å²	35	57.9 Å²	57.9	25%	0.245	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	127	174.4	-37.4	0	0	0	0	109.9	H248	H248-S258 PolarHBondContact CE1-OG 3.41Å; H248-S258 PolarHBondContact ND1-OG 3.1Å
259	T	69.3	Low	79.3	Confident	37 Å²	37	64 Å²	64	23%	0.227	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	119.3	175.3	-51.1	0	0	0	0	109.2	V246 C247 F255 E257 V296	V246-T259 WeakPolarHBondContact CA-O 3.35Å; C247-T259 PolarHBondContact N-O 2.79Å; C247-T259 PolarHBondContact O-N 3.3Å; F255-T259 WeakPolarHBondContact CD2-OG1 3.41Å; E257-T259 PolarHBondContact O-N 3.01Å; T259-V296 HydrophobicContact CG2-CG1 4.03Å; T259-V296 HydrophobicContact CG2-CG2 3.93Å
260	Y	73.3	Confident	79.5	Confident	97 Å²	97	64.3 Å²	64.3	38%	0.38	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	133	173.5	-66.9	-87.8	0	0	0	110.1	E244 V246 E262	E244-Y260 HydrophobicContact CB-CD1 3.97Å; E244-Y260 HydrophobicContact CB-CE1 4.17Å; E244-Y260 HydrophobicContact CG-CD1 4.5Å; E244-Y260 WeakPolarHBondContact OE2-CE1 3.32Å; V246-Y260 HydrophobicContact CG1-CD1 3.7Å; V246-Y260 HydrophobicContact CG1-CE1 3.66Å; V246-Y260 HydrophobicContact CG1-CG 4.38Å; Y260-E262 PolarHBondContact O-N 3.04Å
261	I	76.2	Confident	79.5	Confident	19 Å²	19	64.6 Å²	64.6	10%	0.097	32%	0.323	C	S	.	.			trans	-87.2	103.2	178.8	-56.5	175.7	0	0	0	108.3	V236 L245 D264 F267 I293	V236-I261 HydrophobicContact CB-CD1 4.12Å; V236-I261 HydrophobicContact CG1-CD1 3.41Å; V236-I261 VanDerWaalsContact CG1-CD1 3.41Å; V236-I261 HydrophobicContact CG2-CD1 3.6Å; L245-I261 HydrophobicContact CB-CB 4.27Å; L245-I261 HydrophobicContact CB-CD1 4.1Å; L245-I261 HydrophobicContact CB-CG1 4.46Å; L245-I261 PolarHBondContact O-N 3.45Å; I261-D264 HydrophobicContact CG2-CB 4.38Å; I261-F267 HydrophobicContact CD1-CD2 4.04Å; I261-F267 HydrophobicContact CD1-CE2 4.02Å; I261-F267 HydrophobicContact CG2-CD2 4.11Å; I261-F267 HydrophobicContact CG2-CE2 4.22Å; I261-I293 HydrophobicContact CD1-CD1 3.71Å; I261-I293 HydrophobicContact CG1-CD1 4.04Å; I261-I293 HydrophobicContact CG2-CD1 4.28Å
262	E	65.3	Low	79.4	Confident	149 Å²	149	72.4 Å²	72.4	70%	0.696	36%	0.359	S	S	*	.	S	Bend	trans	-68.6	-39.7	-178.9	-68.3	-168.2	160.7	0	0	113.1	Y260 D264	Y260-E262 PolarHBondContact O-N 3.04Å; E262-D264 PolarHBondContact O-N 3.36Å
263	N	69.8	Low	79.7	Confident	95 Å²	95	69.7 Å²	69.7	51%	0.508	35%	0.349	S	S	.	.			trans	-96.9	71.8	176.1	-106.1	5.5	0	0	0	109.8	S265	N263-S265 VanDerWaalsContact C-N 3.33Å; N263-S265 PolarHBondContact O-N 3.46Å
264	D	74.8	Confident	80	Confident	55 Å²	55	67.6 Å²	67.6	29%	0.294	35%	0.346	S	S	.	.			trans	-84.9	-0.4	-173.7	65.4	-0.3	0	0	0	114.3	L245 I261 E262 F266 F267 N268	L245-D264 HydrophobicContact CD1-CB 3.91Å; L245-D264 HydrophobicContact CG-CB 4.42Å; I261-D264 HydrophobicContact CG2-CB 4.38Å; E262-D264 PolarHBondContact O-N 3.36Å; D264-F266 VanDerWaalsContact C-N 3.34Å; D264-F266 PolarHBondContact O-N 3.37Å; D264-F267 PolarHBondContact O-N 3.03Å; D264-F267 VanDerWaalsContact O-N 3.13Å; D264-N268 VanDerWaalsContact O-CB 3.31Å; D264-N268 WeakPolarHBondContact O-CB 3.29Å; D264-N268 PolarHBondContact O-N 2.82Å; D264-N268 PolarHBondContact O-ND2 2.77Å; D264-N268 PolarHBondContact OD1-ND2 3.06Å; D264-N268 VanDerWaalsContact OD1-ND2 3.08Å; D264-N268 PolarHBondContact OD2-ND2 3.22Å
265	S	83.6	Confident	80.4	Confident	52 Å²	52	71.7 Å²	71.7	36%	0.364	36%	0.361	S	S	.	.	H	α-helix	trans	-48.1	-51.8	-176.5	57	0	0	0	0	112.7	N263 N268 E269 E285	N263-S265 VanDerWaalsContact C-N 3.33Å; N263-S265 PolarHBondContact O-N 3.46Å; S265-N268 PolarHBondContact O-N 3.34Å; S265-E269 PolarHBondContact O-N 3.46Å; S265-E285 PolarHBondContact OG-OE1 3.13Å; S265-E285 VanDerWaalsContact OG-OE1 3.05Å
266	F	89.1	Confident	81.2	Confident	8 Å²	8	73 Å²	73	4%	0.035	37%	0.371	C	S	.	.	H	α-helix	trans	-60.3	-46.8	-179.5	171	-117.5	0	0	0	112.8	D264 E269 I270 F277 Q286 L290	D264-F266 VanDerWaalsContact C-N 3.34Å; D264-F266 PolarHBondContact O-N 3.37Å; F266-E269 PolarHBondContact O-N 3.44Å; F266-I270 HydrophobicContact CD1-CD1 4.46Å; F266-I270 HydrophobicContact CD2-CD1 4.35Å; F266-I270 HydrophobicContact CE1-CD1 3.93Å; F266-I270 HydrophobicContact CE2-CD1 3.82Å; F266-I270 HydrophobicContact CZ-CD1 3.59Å; F266-I270 PolarHBondContact O-N 2.93Å; F266-F277 AromaticContact CE2-CD1 3.96Å; F266-F277 HydrophobicContact CE2-CD1 3.96Å; F266-F277 HydrophobicContact CE2-CD2 4.41Å; F266-F277 AromaticContact CE2-CE1 3.95Å; F266-F277 HydrophobicContact CE2-CE1 3.95Å; F266-F277 HydrophobicContact CE2-CE2 4.41Å; F266-F277 HydrophobicContact CE2-CG 4.19Å; F266-F277 HydrophobicContact CE2-CZ 4.17Å; F266-F277 AromaticContact CZ-CD1 3.7Å; F266-F277 HydrophobicContact CZ-CD1 3.7Å; F266-F277 AromaticContact CZ-CE1 3.81Å; F266-F277 HydrophobicContact CZ-CE1 3.81Å; F266-F277 HydrophobicContact CZ-CG 4.29Å; F266-F277 HydrophobicContact CZ-CZ 4.48Å; F266-Q286 HydrophobicContact CD2-CG 3.76Å; F266-Q286 HydrophobicContact CE2-CG 3.88Å; F266-Q286 HydrophobicContact CG-CG 4.36Å; F266-L290 HydrophobicContact CE1-CD2 3.99Å; F266-L290 HydrophobicContact CE1-CG 4.41Å
267	F	91.2	Very high	82.5	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-73.9	-35.9	-180	-64	-68	0	0	0	111.8	F234 V236 L245 I261 D264 E269 I270 M271 T289 L290 I293 V335 C337	F234-F267 HydrophobicContact CE2-CE1 4.12Å; F234-F267 AromaticContact CE2-CZ 3.77Å; F234-F267 HydrophobicContact CE2-CZ 3.77Å; F234-F267 HydrophobicContact CZ-CZ 4.11Å; V236-F267 HydrophobicContact CG1-CG 4.43Å; V236-F267 HydrophobicContact CG2-CD1 4.12Å; V236-F267 HydrophobicContact CG2-CE1 3.9Å; V236-F267 HydrophobicContact CG2-CE2 4.39Å; V236-F267 HydrophobicContact CG2-CG 4.47Å; V236-F267 HydrophobicContact CG2-CZ 4.03Å; L245-F267 HydrophobicContact CD1-CB 3.34Å; L245-F267 HydrophobicContact CD1-CG 4.26Å; I261-F267 HydrophobicContact CD1-CD2 4.04Å; I261-F267 HydrophobicContact CD1-CE2 4.02Å; I261-F267 HydrophobicContact CG2-CD2 4.11Å; I261-F267 HydrophobicContact CG2-CE2 4.22Å; D264-F267 PolarHBondContact O-N 3.03Å; D264-F267 VanDerWaalsContact O-N 3.13Å; F267-E269 VanDerWaalsContact C-N 3.28Å; F267-E269 PolarHBondContact O-N 3.02Å; F267-I270 PolarHBondContact O-N 2.89Å; F267-M271 WeakPolarHBondContact O-CB 3.28Å; F267-M271 WeakPolarHBondContact O-CG 3.38Å; F267-M271 PolarHBondContact O-N 2.76Å; F267-T289 HydrophobicContact CD2-CG2 4.39Å; F267-T289 HydrophobicContact CE2-CG2 3.72Å; F267-T289 HydrophobicContact CZ-CG2 4.49Å; F267-L290 HydrophobicContact CE1-CD2 4.42Å; F267-L290 HydrophobicContact CZ-CD2 3.99Å; F267-I293 HydrophobicContact CE2-CD1 3.44Å; F267-I293 VanDerWaalsContact CE2-CD1 3.44Å; F267-I293 HydrophobicContact CZ-CD1 3.69Å; F267-V335 HydrophobicContact CD1-CB 4.39Å; F267-V335 HydrophobicContact CD1-CG1 4.42Å; F267-C337 VanDerWaalsContact CE1-SG 3.54Å
268	N	87.8	Confident	83.8	Confident	40 Å²	40	63.3 Å²	63.3	21%	0.214	32%	0.323	C	S	.	.	H	α-helix	trans	-61.5	-37.1	174.5	-81.3	-29.7	0	0	0	111.6	D264 S265 M271 Q272	D264-N268 VanDerWaalsContact O-CB 3.31Å; D264-N268 WeakPolarHBondContact O-CB 3.29Å; D264-N268 PolarHBondContact O-N 2.82Å; D264-N268 PolarHBondContact O-ND2 2.77Å; D264-N268 PolarHBondContact OD1-ND2 3.06Å; D264-N268 VanDerWaalsContact OD1-ND2 3.08Å; D264-N268 PolarHBondContact OD2-ND2 3.22Å; S265-N268 PolarHBondContact O-N 3.34Å; N268-M271 PolarHBondContact O-N 2.89Å; N268-Q272 VanDerWaalsContact O-CB 3.27Å; N268-Q272 WeakPolarHBondContact O-CB 3.26Å; N268-Q272 WeakPolarHBondContact O-CG 3.21Å; N268-Q272 PolarHBondContact O-N 2.85Å
269	E	89.4	Confident	84.8	Confident	132 Å²	132	62.5 Å²	62.5	62%	0.617	32%	0.319	S	S	*	.	H	α-helix	trans	-63	-43.6	173.5	-170.9	-177	173.2	0	0	111.9	S265 F266 F267 Q272 S273	S265-E269 PolarHBondContact O-N 3.46Å; F266-E269 PolarHBondContact O-N 3.44Å; F267-E269 VanDerWaalsContact C-N 3.28Å; F267-E269 PolarHBondContact O-N 3.02Å; E269-Q272 PolarHBondContact O-N 3.37Å; E269-S273 VanDerWaalsContact O-CB 3.26Å; E269-S273 WeakPolarHBondContact O-CB 3.5Å; E269-S273 PolarHBondContact O-N 2.95Å; E269-S273 PolarHBondContact O-OG 3.09Å
270	I	91.4	Very high	85.7	Confident	7 Å²	7	63.6 Å²	63.6	4%	0.036	33%	0.326	C	S	.	.	H	α-helix	trans	-63.4	-45.4	175.7	-64.7	168	0	0	0	110.5	F266 F267 Q272 S273 G274 F277 C321 P323 V335	F266-I270 HydrophobicContact CD1-CD1 4.46Å; F266-I270 HydrophobicContact CD2-CD1 4.35Å; F266-I270 HydrophobicContact CE1-CD1 3.93Å; F266-I270 HydrophobicContact CE2-CD1 3.82Å; F266-I270 HydrophobicContact CZ-CD1 3.59Å; F266-I270 PolarHBondContact O-N 2.93Å; F267-I270 PolarHBondContact O-N 2.89Å; I270-Q272 PolarHBondContact O-N 3.3Å; I270-S273 PolarHBondContact O-N 3.46Å; I270-S273 PolarHBondContact O-OG 3.42Å; I270-G274 PolarHBondContact O-N 3.45Å; I270-F277 HydrophobicContact CD1-CB 3.93Å; I270-F277 HydrophobicContact CG1-CB 4.12Å; I270-C321 HydrophobicContact CD1-CB 3.68Å; I270-P323 HydrophobicContact CG2-CB 4.23Å; I270-P323 HydrophobicContact CG2-CG 4.27Å; I270-V335 HydrophobicContact CB-CG2 4.45Å; I270-V335 HydrophobicContact CD1-CG1 4.48Å; I270-V335 HydrophobicContact CG2-CG1 4.01Å; I270-V335 HydrophobicContact CG2-CG2 3.99Å
271	M	88.8	Confident	86.2	Confident	12 Å²	12	66.7 Å²	66.7	6%	0.059	34%	0.343	C	S	.	.	H	α-helix	trans	-65.4	-38.6	179.6	-65.9	-78.5	-79.3	0	0	111.8	R238 L245 F267 N268 P332 V335	R238-M271 HydrophobicContact CB-CE 3.63Å; R238-M271 HydrophobicContact CG-CE 4.36Å; L245-M271 HydrophobicContact CD2-CE 4.31Å; F267-M271 WeakPolarHBondContact O-CB 3.28Å; F267-M271 WeakPolarHBondContact O-CG 3.38Å; F267-M271 PolarHBondContact O-N 2.76Å; N268-M271 PolarHBondContact O-N 2.89Å; M271-P332 HydrophobicContact CE-CB 4.22Å; M271-P332 WeakPolarHBondContact CE-O 3.42Å; M271-P332 WeakPolarHBondContact O-CD 3.46Å; M271-P332 VanDerWaalsContact O-CG 3.25Å; M271-P332 WeakPolarHBondContact O-CG 3.46Å; M271-P332 HydrophobicContact SD-CB 3.55Å; M271-P332 VanDerWaalsContact SD-CB 3.55Å; M271-V335 HydrophobicContact CG-CG2 3.7Å; M271-V335 HydrophobicContact SD-CG2 3.42Å; M271-V335 WeakPolarHBondContact SD-CG2 3.32Å
272	Q	87.8	Confident	86.8	Confident	167 Å²	167	67.3 Å²	67.3	78%	0.78	35%	0.347	S	S	*	.	H	α-helix	trans	-74.2	-40.4	177.9	-74.2	173.6	19.5	0	0	112.4	N268 E269 I270 G274	N268-Q272 VanDerWaalsContact O-CB 3.27Å; N268-Q272 WeakPolarHBondContact O-CB 3.26Å; N268-Q272 WeakPolarHBondContact O-CG 3.21Å; N268-Q272 PolarHBondContact O-N 2.85Å; E269-Q272 PolarHBondContact O-N 3.37Å; I270-Q272 PolarHBondContact O-N 3.3Å; Q272-G274 VanDerWaalsContact C-N 3.32Å
273	S	90.2	Very high	87.9	Confident	62 Å²	62	63.9 Å²	63.9	43%	0.434	33%	0.333	S	S	.	.	H	α-helix	trans	-73.3	-26.9	179.5	66.6	0	0	0	0	112.6	E269 I270 K275	E269-S273 VanDerWaalsContact O-CB 3.26Å; E269-S273 WeakPolarHBondContact O-CB 3.5Å; E269-S273 PolarHBondContact O-N 2.95Å; E269-S273 PolarHBondContact O-OG 3.09Å; I270-S273 PolarHBondContact O-N 3.46Å; I270-S273 PolarHBondContact O-OG 3.42Å; S273-K275 PolarHBondContact O-N 2.95Å; S273-K275 PolarHBondContact OG-N 3.28Å
274	G	88.7	Confident	88.6	Confident	24 Å²	24	64.1 Å²	64.1	25%	0.247	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	15.8	-173.7	0	0	0	0	0	113.3	I270 Q272	I270-G274 PolarHBondContact O-N 3.45Å; Q272-G274 VanDerWaalsContact C-N 3.32Å
275	K	91.5	Very high	89.1	Confident	152 Å²	152	66.5 Å²	66.5	66%	0.661	35%	0.351	S	S	*	.			trans	-108.8	141.5	-176.7	-68.8	-178.7	-176	178.6	0	111.1	S273 F277	S273-K275 PolarHBondContact O-N 2.95Å; S273-K275 PolarHBondContact OG-N 3.28Å; K275-F277 PolarHBondContact O-N 3.18Å
276	T	93.5	Very high	89.3	Confident	45 Å²	45	65.3 Å²	65.3	28%	0.276	34%	0.34	S	S	.	.			trans	-64	131.6	172.8	-55.1	0	0	0	0	111.2	K278 L320 C321 E351	T276-K278 HydrophobicContact CG2-CG 4.18Å; T276-L320 HydrophobicContact CG2-CD1 3.2Å; T276-C321 WeakPolarHBondContact CA-O 3.36Å; T276-C321 WeakPolarHBondContact CG2-O 3.21Å; T276-E351 HydrophobicContact CG2-CG 3.9Å; T276-E351 WeakPolarHBondContact CG2-OE1 3.26Å
277	F	94.2	Very high	89.2	Confident	50 Å²	50	68.7 Å²	68.7	22%	0.219	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.6	170.5	174.5	-94.3	0	0	0	109.9	F266 I270 K275 A279 L282 C321	F266-F277 AromaticContact CE2-CD1 3.96Å; F266-F277 HydrophobicContact CE2-CD1 3.96Å; F266-F277 HydrophobicContact CE2-CD2 4.41Å; F266-F277 AromaticContact CE2-CE1 3.95Å; F266-F277 HydrophobicContact CE2-CE1 3.95Å; F266-F277 HydrophobicContact CE2-CE2 4.41Å; F266-F277 HydrophobicContact CE2-CG 4.19Å; F266-F277 HydrophobicContact CE2-CZ 4.17Å; F266-F277 AromaticContact CZ-CD1 3.7Å; F266-F277 HydrophobicContact CZ-CD1 3.7Å; F266-F277 AromaticContact CZ-CE1 3.81Å; F266-F277 HydrophobicContact CZ-CE1 3.81Å; F266-F277 HydrophobicContact CZ-CG 4.29Å; F266-F277 HydrophobicContact CZ-CZ 4.48Å; I270-F277 HydrophobicContact CD1-CB 3.93Å; I270-F277 HydrophobicContact CG1-CB 4.12Å; K275-F277 PolarHBondContact O-N 3.18Å; F277-A279 HydrophobicContact CE1-CB 3.72Å; F277-A279 HydrophobicContact CE2-CB 4.44Å; F277-A279 HydrophobicContact CZ-CB 3.59Å; F277-L282 HydrophobicContact CE1-CD2 3.92Å; F277-L282 HydrophobicContact CZ-CD2 4.15Å; F277-C321 HydrophobicContact CB-CB 4.21Å; F277-C321 HydrophobicContact CD1-CB 4.38Å; F277-C321 PolarHBondContact N-O 2.86Å; F277-C321 PolarHBondContact O-N 2.78Å
278	K	93.3	Very high	88.9	Confident	91 Å²	91	74.6 Å²	74.6	40%	0.396	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	132.8	174.5	-73	-177.9	-62.8	-158.5	0	109.7	T276 V319 L320 E351	T276-K278 HydrophobicContact CG2-CG 4.18Å; K278-V319 WeakPolarHBondContact CA-O 3.5Å; K278-L320 HydrophobicContact CD-CD1 3.99Å; K278-L320 HydrophobicContact CG-CB 4.43Å; K278-L320 HydrophobicContact CG-CD1 3.54Å; K278-E351 WeakPolarHBondContact CD-OE1 3.17Å; K278-E351 WeakPolarHBondContact CE-OE1 3.5Å; K278-E351 IonicContact NZ-OE1 3.2Å; K278-E351 PolarHBondContact NZ-OE1 3.33Å; K278-E351 IonicContact NZ-OE2 3.19Å
279	A	91.3	Very high	88.7	Confident	18 Å²	18	72.8 Å²	72.8	15%	0.149	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	145.3	-180	0	0	0	0	0	111.9	F277 L282 S318 V319	F277-A279 HydrophobicContact CE1-CB 3.72Å; F277-A279 HydrophobicContact CE2-CB 4.44Å; F277-A279 HydrophobicContact CZ-CB 3.59Å; A279-L282 HydrophobicContact CB-CD2 4.06Å; A279-S318 CarbonylContact O-C 3.56Å; A279-S318 WeakPolarHBondContact O-CA 3.21Å; A279-V319 PolarHBondContact N-O 3.4Å; A279-V319 VanDerWaalsContact N-O 3.12Å; A279-V319 PolarHBondContact O-N 2.97Å
280	T	87.6	Confident	88.7	Confident	61 Å²	61	66.5 Å²	66.5	37%	0.374	34%	0.344	S	S	.	.	S	Bend	trans	-100.3	-15.4	166.7	66.4	0	0	0	0	111.9	Q345	T280-Q345 HydrophobicContact CG2-CG 4.15Å
281	H	84.8	Confident	88.4	Confident	161 Å²	161	68.6 Å²	68.6	75%	0.745	36%	0.355	S	S	*	.	S	Bend	trans	-135.8	125.5	176.8	-60.5	-59.3	0	0	0	108.3
282	L	88.6	Confident	88	Confident	33 Å²	33	70.3 Å²	70.3	17%	0.173	37%	0.369	C	S	.	.			trans	-98.3	152.2	177.6	-62.5	170	0	0	0	109.5	F277 A279 Q286 E287 L290 I316 V319	F277-L282 HydrophobicContact CE1-CD2 3.92Å; F277-L282 HydrophobicContact CZ-CD2 4.15Å; A279-L282 HydrophobicContact CB-CD2 4.06Å; L282-Q286 HydrophobicContact CB-CB 4.17Å; L282-Q286 HydrophobicContact CD2-CB 4.12Å; L282-E287 HydrophobicContact CB-CB 4.02Å; L282-E287 HydrophobicContact CD1-CB 4.16Å; L282-E287 HydrophobicContact CD1-CG 4.48Å; L282-L290 HydrophobicContact CD1-CD1 3.62Å; L282-L290 HydrophobicContact CD2-CD1 4.15Å; L282-I316 HydrophobicContact CD1-CB 4.07Å; L282-I316 HydrophobicContact CD1-CD1 3.92Å; L282-I316 HydrophobicContact CD1-CG2 3.64Å; L282-V319 HydrophobicContact CD1-CG2 4.01Å; L282-V319 HydrophobicContact CD2-CB 4.46Å; L282-V319 HydrophobicContact CD2-CG2 4.09Å; L282-V319 HydrophobicContact CG-CG2 4.32Å
283	N	89.5	Confident	87.8	Confident	77 Å²	77	62.8 Å²	62.8	41%	0.412	33%	0.333	S	S	.	.			trans	-77.3	164.7	163.1	69.9	42.5	0	0	0	110.1	E285 Q286 E287	N283-E285 PolarHBondContact O-N 3.42Å; N283-E285 PolarHBondContact OD1-N 2.99Å; N283-E285 VanDerWaalsContact OD1-N 3.13Å; N283-Q286 PolarHBondContact ND2-NE2 2.93Å; N283-Q286 PolarHBondContact ND2-OE1 3.23Å; N283-Q286 PolarHBondContact O-N 3.34Å; N283-Q286 WeakPolarHBondContact OD1-CB 3.43Å; N283-Q286 VanDerWaalsContact OD1-CG 3.26Å; N283-Q286 WeakPolarHBondContact OD1-CG 3.43Å; N283-Q286 PolarHBondContact OD1-N 3.07Å; N283-E287 WeakPolarHBondContact O-CB 3.46Å; N283-E287 PolarHBondContact O-N 3.33Å
284	S	84.5	Confident	87.4	Confident	99 Å²	99	60 Å²	60	69%	0.692	31%	0.314	S	S	*	.	H	α-helix	trans	-60.7	-30.2	-175.3	-52.2	0	0	0	0	113.9	H288	S284-H288 WeakPolarHBondContact O-CB 3.26Å; S284-H288 PolarHBondContact O-N 2.73Å
285	E	84.3	Confident	86.7	Confident	106 Å²	106	61.1 Å²	61.1	50%	0.495	32%	0.318	S	S	.	.	H	α-helix	trans	-72.1	-47	177.3	-175.2	-177.1	170.2	0	0	111.3	S265 N283 H288 T289	S265-E285 PolarHBondContact OG-OE1 3.13Å; S265-E285 VanDerWaalsContact OG-OE1 3.05Å; N283-E285 PolarHBondContact O-N 3.42Å; N283-E285 PolarHBondContact OD1-N 2.99Å; N283-E285 VanDerWaalsContact OD1-N 3.13Å; E285-H288 PolarHBondContact O-N 3.33Å; E285-T289 WeakPolarHBondContact O-CB 3.18Å; E285-T289 PolarHBondContact O-N 3.4Å; E285-T289 PolarHBondContact O-OG1 2.96Å; E285-T289 VanDerWaalsContact O-OG1 3.05Å
286	Q	88.6	Confident	85.3	Confident	27 Å²	27	55.4 Å²	55.4	13%	0.126	30%	0.296	C	S	.	.	H	α-helix	trans	-61.7	-47.5	177.1	-70.6	167.9	-16	0	0	111.2	F266 L282 N283 T289 L290	F266-Q286 HydrophobicContact CD2-CG 3.76Å; F266-Q286 HydrophobicContact CE2-CG 3.88Å; F266-Q286 HydrophobicContact CG-CG 4.36Å; L282-Q286 HydrophobicContact CB-CB 4.17Å; L282-Q286 HydrophobicContact CD2-CB 4.12Å; N283-Q286 PolarHBondContact ND2-NE2 2.93Å; N283-Q286 PolarHBondContact ND2-OE1 3.23Å; N283-Q286 PolarHBondContact O-N 3.34Å; N283-Q286 WeakPolarHBondContact OD1-CB 3.43Å; N283-Q286 VanDerWaalsContact OD1-CG 3.26Å; N283-Q286 WeakPolarHBondContact OD1-CG 3.43Å; N283-Q286 PolarHBondContact OD1-N 3.07Å; Q286-T289 PolarHBondContact O-N 3.2Å; Q286-L290 WeakPolarHBondContact O-CB 3.42Å; Q286-L290 VanDerWaalsContact O-CG 3.28Å; Q286-L290 WeakPolarHBondContact O-CG 3.28Å; Q286-L290 PolarHBondContact O-N 2.84Å
287	E	86.9	Confident	83.2	Confident	78 Å²	78	57.5 Å²	57.5	36%	0.364	30%	0.302	S	S	.	.	H	α-helix	trans	-60.1	-46.8	177.7	-172	174.1	-165.6	0	0	111.1	L282 N283 T289 L290 L291	L282-E287 HydrophobicContact CB-CB 4.02Å; L282-E287 HydrophobicContact CD1-CB 4.16Å; L282-E287 HydrophobicContact CD1-CG 4.48Å; N283-E287 WeakPolarHBondContact O-CB 3.46Å; N283-E287 PolarHBondContact O-N 3.33Å; E287-T289 PolarHBondContact O-N 3.46Å; E287-L290 PolarHBondContact O-N 2.99Å; E287-L291 HydrophobicContact CG-CD1 3.83Å; E287-L291 HydrophobicContact CG-CG 4.39Å; E287-L291 VanDerWaalsContact O-CB 3.31Å; E287-L291 WeakPolarHBondContact O-CB 3.48Å; E287-L291 VanDerWaalsContact O-CG 3.27Å; E287-L291 WeakPolarHBondContact O-CG 3.27Å; E287-L291 PolarHBondContact O-N 3.41Å
288	H	83.5	Confident	80.6	Confident	125 Å²	125	57.3 Å²	57.3	58%	0.579	30%	0.303	S	S	*	.	H	α-helix	trans	-61.6	-44.6	177.3	-176.6	-80.9	0	0	0	112.2	S284 E285 S292	S284-H288 WeakPolarHBondContact O-CB 3.26Å; S284-H288 PolarHBondContact O-N 2.73Å; E285-H288 PolarHBondContact O-N 3.33Å; H288-S292 VanDerWaalsContact O-CB 3.26Å; H288-S292 WeakPolarHBondContact O-CB 3.31Å; H288-S292 PolarHBondContact O-N 3.25Å; H288-S292 PolarHBondContact O-OG 3.4Å
289	T	84.6	Confident	78.1	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.006	32%	0.316	C	S	.	.	H	α-helix	trans	-63	-46.9	178.6	-64.1	0	0	0	0	111.6	F267 E285 Q286 E287 S292 I293	F267-T289 HydrophobicContact CD2-CG2 4.39Å; F267-T289 HydrophobicContact CE2-CG2 3.72Å; F267-T289 HydrophobicContact CZ-CG2 4.49Å; E285-T289 WeakPolarHBondContact O-CB 3.18Å; E285-T289 PolarHBondContact O-N 3.4Å; E285-T289 PolarHBondContact O-OG1 2.96Å; E285-T289 VanDerWaalsContact O-OG1 3.05Å; Q286-T289 PolarHBondContact O-N 3.2Å; E287-T289 PolarHBondContact O-N 3.46Å; T289-S292 PolarHBondContact O-N 3.34Å; T289-S292 PolarHBondContact O-OG 3.31Å; T289-I293 PolarHBondContact O-N 3.44Å
290	L	88.4	Confident	75.4	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-64.2	-46.2	178.4	-67.3	176.2	0	0	0	112	F234 F266 F267 L282 Q286 E287 S292 I293 L294 I316 V319 I339	F234-L290 HydrophobicContact CE1-CD2 4.31Å; F234-L290 HydrophobicContact CZ-CD2 3.59Å; F266-L290 HydrophobicContact CE1-CD2 3.99Å; F266-L290 HydrophobicContact CE1-CG 4.41Å; F267-L290 HydrophobicContact CE1-CD2 4.42Å; F267-L290 HydrophobicContact CZ-CD2 3.99Å; L282-L290 HydrophobicContact CD1-CD1 3.62Å; L282-L290 HydrophobicContact CD2-CD1 4.15Å; Q286-L290 WeakPolarHBondContact O-CB 3.42Å; Q286-L290 VanDerWaalsContact O-CG 3.28Å; Q286-L290 WeakPolarHBondContact O-CG 3.28Å; Q286-L290 PolarHBondContact O-N 2.84Å; E287-L290 PolarHBondContact O-N 2.99Å; L290-S292 VanDerWaalsContact C-N 3.31Å; L290-S292 PolarHBondContact O-N 2.91Å; L290-I293 PolarHBondContact O-N 3.47Å; L290-L294 WeakPolarHBondContact O-CG 3.27Å; L290-L294 PolarHBondContact O-N 3.43Å; L290-L294 VanDerWaalsContact O-N 3.1Å; L290-I316 HydrophobicContact CB-CD1 3.99Å; L290-I316 HydrophobicContact CD1-CD1 4.35Å; L290-V319 HydrophobicContact CD1-CG1 4.13Å; L290-V319 HydrophobicContact CD1-CG2 4.07Å; L290-I339 HydrophobicContact CD1-CD1 4.31Å
291	L	85.8	Confident	72.6	Confident	51 Å²	51	66.3 Å²	66.3	27%	0.267	35%	0.35	S	S	.	.	H	α-helix	trans	-64.2	-36.4	177.3	-71.2	175.3	0	0	0	111.9	E287 I293 L294 S295 I314 I316	E287-L291 HydrophobicContact CG-CD1 3.83Å; E287-L291 HydrophobicContact CG-CG 4.39Å; E287-L291 VanDerWaalsContact O-CB 3.31Å; E287-L291 WeakPolarHBondContact O-CB 3.48Å; E287-L291 VanDerWaalsContact O-CG 3.27Å; E287-L291 WeakPolarHBondContact O-CG 3.27Å; E287-L291 PolarHBondContact O-N 3.41Å; L291-I293 VanDerWaalsContact C-N 3.29Å; L291-I293 PolarHBondContact O-N 3.1Å; L291-L294 PolarHBondContact O-N 2.8Å; L291-S295 WeakPolarHBondContact O-CB 3.4Å; L291-S295 PolarHBondContact O-N 3.13Å; L291-S295 PolarHBondContact O-OG 2.86Å; L291-S295 VanDerWaalsContact O-OG 3.05Å; L291-I314 HydrophobicContact CD2-CB 4.27Å; L291-I316 HydrophobicContact CD2-CD1 3.92Å; L291-I316 HydrophobicContact CD2-CG1 4.26Å; L291-I316 HydrophobicContact CG-CD1 4.02Å
292	S	80.9	Confident	70.2	Confident	49 Å²	49	63.7 Å²	63.7	34%	0.343	34%	0.341	S	S	.	.	H	α-helix	trans	-58.8	-41.7	177.4	75.8	0	0	0	0	111.7	H288 T289 L290 S295 V296	H288-S292 VanDerWaalsContact O-CB 3.26Å; H288-S292 WeakPolarHBondContact O-CB 3.31Å; H288-S292 PolarHBondContact O-N 3.25Å; H288-S292 PolarHBondContact O-OG 3.4Å; T289-S292 PolarHBondContact O-N 3.34Å; T289-S292 PolarHBondContact O-OG 3.31Å; L290-S292 VanDerWaalsContact C-N 3.31Å; L290-S292 PolarHBondContact O-N 2.91Å; S292-S295 PolarHBondContact O-N 3.24Å; S292-S295 PolarHBondContact O-OG 3.35Å; S292-V296 WeakPolarHBondContact O-CG2 3.31Å; S292-V296 PolarHBondContact O-N 2.84Å
293	I	82.5	Confident	67.6	Low	8 Å²	8	67.3 Å²	67.3	4%	0.041	36%	0.36	C	S	.	.	H	α-helix	trans	-71.2	-43.6	178.4	-63.9	168.9	0	0	0	111.3	F234 C247 T250 I261 F267 T289 L290 L291 S295 V296	F234-I293 HydrophobicContact CD1-CG2 4.2Å; F234-I293 HydrophobicContact CD2-CG2 4.01Å; F234-I293 HydrophobicContact CE1-CG2 4.22Å; F234-I293 HydrophobicContact CE2-CD1 3.96Å; F234-I293 HydrophobicContact CE2-CG2 4.03Å; F234-I293 HydrophobicContact CG-CG2 4.09Å; F234-I293 HydrophobicContact CZ-CB 4.29Å; F234-I293 HydrophobicContact CZ-CD1 4.15Å; F234-I293 HydrophobicContact CZ-CG2 4.11Å; C247-I293 HydrophobicContact CB-CG2 4.46Å; T250-I293 HydrophobicContact CG2-CG2 3.99Å; I261-I293 HydrophobicContact CD1-CD1 3.71Å; I261-I293 HydrophobicContact CG1-CD1 4.04Å; I261-I293 HydrophobicContact CG2-CD1 4.28Å; F267-I293 HydrophobicContact CE2-CD1 3.44Å; F267-I293 VanDerWaalsContact CE2-CD1 3.44Å; F267-I293 HydrophobicContact CZ-CD1 3.69Å; T289-I293 PolarHBondContact O-N 3.44Å; L290-I293 PolarHBondContact O-N 3.47Å; L291-I293 VanDerWaalsContact C-N 3.29Å; L291-I293 PolarHBondContact O-N 3.1Å; I293-S295 PolarHBondContact O-N 2.89Å; I293-V296 VanDerWaalsContact O-CG2 3.22Å; I293-V296 WeakPolarHBondContact O-CG2 3.09Å; I293-V296 PolarHBondContact O-N 2.94Å
294	L	82.9	Confident	65	Low	4 Å²	4	72 Å²	72	2%	0.021	38%	0.38	C	S	.	.	H	α-helix	trans	-65.8	-22.8	176.8	-67.5	171.7	0	0	0	112.9	F234 T250 L290 L291 I314 I339	F234-L294 HydrophobicContact CD1-CD2 3.78Å; F234-L294 HydrophobicContact CD1-CG 4.37Å; F234-L294 HydrophobicContact CE1-CD2 3.97Å; F234-L294 HydrophobicContact CE1-CG 4.07Å; T250-L294 HydrophobicContact CG2-CD2 4.34Å; L290-L294 WeakPolarHBondContact O-CG 3.27Å; L290-L294 PolarHBondContact O-N 3.43Å; L290-L294 VanDerWaalsContact O-N 3.1Å; L291-L294 PolarHBondContact O-N 2.8Å; L294-I314 HydrophobicContact CB-CD1 4.4Å; L294-I314 HydrophobicContact CD1-CD1 4.48Å; L294-I314 HydrophobicContact CD1-CG2 4.41Å; L294-I339 HydrophobicContact CD1-CG1 4.33Å
295	S	73.6	Confident	62.5	Low	47 Å²	47	73.7 Å²	73.7	33%	0.329	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-1.4	-176.6	74.7	0	0	0	0	115	L291 S292 I293 H297 N298	L291-S295 WeakPolarHBondContact O-CB 3.4Å; L291-S295 PolarHBondContact O-N 3.13Å; L291-S295 PolarHBondContact O-OG 2.86Å; L291-S295 VanDerWaalsContact O-OG 3.05Å; S292-S295 PolarHBondContact O-N 3.24Å; S292-S295 PolarHBondContact O-OG 3.35Å; I293-S295 PolarHBondContact O-N 2.89Å; S295-H297 PolarHBondContact O-N 3.27Å; S295-N298 PolarHBondContact O-N 2.84Å
296	V	62.2	Low	59.9	Low	33 Å²	33	80.5 Å²	80.5	20%	0.2	40%	0.404	C	S	.	.	H	α-helix	trans	-51.2	-29.7	-171.6	172.1	0	0	0	0	113	F255 T259 S292 I293 N298	F255-V296 HydrophobicContact CE1-CB 4.46Å; F255-V296 HydrophobicContact CZ-CB 4.16Å; F255-V296 HydrophobicContact CZ-CG1 4.43Å; T259-V296 HydrophobicContact CG2-CG1 4.03Å; T259-V296 HydrophobicContact CG2-CG2 3.93Å; S292-V296 WeakPolarHBondContact O-CG2 3.31Å; S292-V296 PolarHBondContact O-N 2.84Å; I293-V296 VanDerWaalsContact O-CG2 3.22Å; I293-V296 WeakPolarHBondContact O-CG2 3.09Å; I293-V296 PolarHBondContact O-N 2.94Å; V296-N298 PolarHBondContact O-N 3.08Å
297	H	49.4	Very low	57.1	Low	89 Å²	89	84.6 Å²	84.6	41%	0.412	43%	0.431	S	S	.	.	H	α-helix	trans	-66.5	-27.8	176.8	-160.8	65.2	0	0	0	114.7	E253 S295 A299	E253-H297 IonicContact OE2-CG 3.15Å; S295-H297 PolarHBondContact O-N 3.27Å; H297-A299 VanDerWaalsContact C-N 3.34Å; H297-A299 PolarHBondContact O-N 3.08Å
298	N	38.9	Very low	54.5	Low	45 Å²	45	85.9 Å²	85.9	24%	0.241	44%	0.444	C	S	.	.	H	α-helix	trans	-74.7	-21	-177.8	-77.5	-18.4	0	0	0	113.5	S295 V296 N302 N309	S295-N298 PolarHBondContact O-N 2.84Å; V296-N298 PolarHBondContact O-N 3.08Å; N298-N302 PolarHBondContact O-ND2 3.37Å; N298-N309 PolarHBondContact ND2-OD1 3.02Å
299	A	41.6	Very low	52.2	Low	81 Å²	81	84.5 Å²	84.5	67%	0.669	44%	0.441	S	S	*	.	H	α-helix	trans	-78.3	-32.6	-176.7	0	0	0	0	0	113.1	H297	H297-A299 VanDerWaalsContact C-N 3.34Å; H297-A299 PolarHBondContact O-N 3.08Å
300	Y	34.3	Very low	50.2	Low	148 Å²	148	92 Å²	92	58%	0.58	48%	0.476	S	S	*	.	H	α-helix	trans	-85.7	-25.2	-175.1	-95.3	-91	0	0	0	114.2
301	M	29.6	Very low	48.1	Very low	131 Å²	131	94.2 Å²	94.2	65%	0.645	49%	0.487	S	S	*	.	S	Bend	trans	-92.2	-5.3	-177.1	-73.7	-67.6	178.4	0	0	114.8	N303	M301-N303 PolarHBondContact O-N 2.91Å
302	N	33.2	Very low	46.3	Very low	105 Å²	105	95 Å²	95	56%	0.561	50%	0.502	S	S	*	.			trans	-77.5	25.7	178.7	-82.4	-31.7	0	0	0	114.5	N298 E304	N298-N302 PolarHBondContact O-ND2 3.37Å; N302-E304 PolarHBondContact O-N 3.01Å
303	N	34.9	Very low	45.3	Very low	109 Å²	109	99.6 Å²	99.6	58%	0.583	52%	0.522	S	S	*	.	S	Bend	trans	-87.1	96.8	160.3	-83.3	-27	0	0	0	108.1	M301	M301-N303 PolarHBondContact O-N 2.91Å
304	E	34.5	Very low	44.8	Very low	177 Å²	177	100.7 Å²	100.7	83%	0.827	53%	0.528	S	S	*	.	S	Bend	trans	58.5	65.3	164.9	-56	-169.5	167.6	0	0	115.9	N302	N302-E304 PolarHBondContact O-N 3.01Å
305	N	32	Very low	44.9	Very low	133 Å²	133	108.5 Å²	108.5	71%	0.711	56%	0.564	S	S	*	*			trans	-176.3	127.3	139.2	-88.6	-39.3	0	0	0	108.5	V307	N305-V307 VanDerWaalsContact C-N 3.25Å; N305-V307 HydrophobicContact CB-CG2 4.46Å; N305-V307 PolarHBondContact O-N 3.32Å
306	Y	29.4	Very low	45.6	Very low	250 Å²	250	107.4 Å²	107.4	98%	0.98	55%	0.554	S	S	*	*			trans	-63.9	84.2	173.8	-80.9	-99.5	0	0	0	109.8
307	V	29.6	Very low	46.9	Very low	113 Å²	113	109.9 Å²	109.9	69%	0.685	56%	0.564	S	S	*	*			trans	-100.3	125	166.2	-176.3	0	0	0	0	107.4	N305 N309	N305-V307 VanDerWaalsContact C-N 3.25Å; N305-V307 HydrophobicContact CB-CG2 4.46Å; N305-V307 PolarHBondContact O-N 3.32Å; V307-N309 PolarHBondContact O-N 3.47Å
308	T	32.9	Very low	49	Very low	104 Å²	104	105.7 Å²	105.7	64%	0.638	54%	0.544	S	S	*	.			trans	-48.4	127.8	-174.5	45.8	0	0	0	0	113.2	Q310	T308-Q310 VanDerWaalsContact C-N 3.28Å; T308-Q310 PolarHBondContact O-N 3.5Å
309	N	36.2	Very low	51.7	Low	96 Å²	96	103.7 Å²	103.7	51%	0.513	53%	0.534	S	S	.	.			trans	-48.5	77.2	167.4	-96	-16.7	0	0	0	112.6	N298 V307 N311 A312	N298-N309 PolarHBondContact ND2-OD1 3.02Å; V307-N309 PolarHBondContact O-N 3.47Å; N309-N311 PolarHBondContact O-N 2.91Å; N309-A312 HydrophobicContact CB-CB 3.84Å; N309-A312 PolarHBondContact O-N 3.12Å
310	Q	40.7	Very low	54.4	Low	159 Å²	159	99.8 Å²	99.8	74%	0.743	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-15.1	179.8	-76.5	-172.2	-0.6	0	0	113.4	T308	T308-Q310 VanDerWaalsContact C-N 3.28Å; T308-Q310 PolarHBondContact O-N 3.5Å
311	N	44.2	Very low	57.3	Low	46 Å²	46	92.8 Å²	92.8	25%	0.246	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	0.4	178.6	-69.8	-4.7	0	0	0	115	N309 D313 I314	N309-N311 PolarHBondContact O-N 2.91Å; N311-D313 PolarHBondContact O-N 3.49Å; N311-I314 HydrophobicContact CB-CD1 4.08Å
312	A	48	Very low	60.5	Low	69 Å²	69	86.6 Å²	86.6	57%	0.57	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-11.5	175.9	0	0	0	0	0	113.3	N309	N309-A312 HydrophobicContact CB-CB 3.84Å; N309-A312 PolarHBondContact O-N 3.12Å
313	D	59.9	Low	63.4	Low	145 Å²	145	81.9 Å²	81.9	78%	0.775	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	11.5	-177.9	-76.4	-23.3	0	0	0	114.1	N311 Q315	N311-D313 PolarHBondContact O-N 3.49Å; D313-Q315 PolarHBondContact O-N 3.42Å
314	I	73.7	Confident	66	Low	30 Å²	30	77 Å²	77	15%	0.154	39%	0.393	C	S	.	.			trans	-69.8	94.8	175.6	-57.8	175.1	0	0	0	109	L291 L294 N311 I316	L291-I314 HydrophobicContact CD2-CB 4.27Å; L294-I314 HydrophobicContact CB-CD1 4.4Å; L294-I314 HydrophobicContact CD1-CD1 4.48Å; L294-I314 HydrophobicContact CD1-CG2 4.41Å; N311-I314 HydrophobicContact CB-CD1 4.08Å; I314-I316 HydrophobicContact CG2-CG1 4.37Å; I314-I316 PolarHBondContact O-N 3.36Å
315	Q	83.9	Confident	68.5	Low	168 Å²	168	73.1 Å²	73.1	79%	0.785	37%	0.374	S	S	*	.			trans	-80.6	113.6	169.6	-72.1	-172.9	-3.8	0	0	109.7	D313 H317 N340	D313-Q315 PolarHBondContact O-N 3.42Å; Q315-H317 PolarHBondContact O-N 3.26Å; Q315-N340 PolarHBondContact O-ND2 3.08Å; Q315-N340 PolarHBondContact O-OD1 3.45Å
316	I	88.5	Confident	70.6	Confident	24 Å²	24	67.5 Å²	67.5	12%	0.123	34%	0.344	C	S	.	.			trans	-81.4	112.2	179.4	-57.3	174.6	0	0	0	109.4	L282 L290 L291 I314 V319 I339 N340	L282-I316 HydrophobicContact CD1-CB 4.07Å; L282-I316 HydrophobicContact CD1-CD1 3.92Å; L282-I316 HydrophobicContact CD1-CG2 3.64Å; L290-I316 HydrophobicContact CB-CD1 3.99Å; L290-I316 HydrophobicContact CD1-CD1 4.35Å; L291-I316 HydrophobicContact CD2-CD1 3.92Å; L291-I316 HydrophobicContact CD2-CG1 4.26Å; L291-I316 HydrophobicContact CG-CD1 4.02Å; I314-I316 HydrophobicContact CG2-CG1 4.37Å; I314-I316 PolarHBondContact O-N 3.36Å; I316-V319 HydrophobicContact CG2-CG2 3.2Å; I316-I339 HydrophobicContact CG1-CG2 4.14Å; I316-I339 HydrophobicContact CG2-CG2 4.22Å; I316-N340 WeakPolarHBondContact CA-OD1 3.39Å
317	H	90.3	Very high	72.5	Confident	86 Å²	86	62.4 Å²	62.4	40%	0.398	32%	0.323	S	S	.	.			trans	-114.5	-8.2	179.8	68.3	76.9	0	0	0	113.9	Q315 N340 K341 Q345	Q315-H317 PolarHBondContact O-N 3.26Å; H317-N340 PolarHBondContact CD2-OD1 3.42Å; H317-N340 VanDerWaalsContact CD2-OD1 3.25Å; H317-N340 PolarHBondContact N-OD1 3.18Å; H317-N340 WeakPolarHBondContact NE2-CB 3.21Å; H317-K341 PolarHBondContact CE1-O 3.35Å; H317-Q345 PolarHBondContact O-NE2 2.96Å
318	S	93.5	Very high	74.2	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.304	C	S	.	.			trans	-158.1	137.2	172.3	57.2	0	0	0	0	110.4	A279 N340 K341	A279-S318 CarbonylContact O-C 3.56Å; A279-S318 WeakPolarHBondContact O-CA 3.21Å; S318-N340 PolarHBondContact O-N 3.48Å; S318-N340 VanDerWaalsContact OG-CA 3.25Å; S318-N340 WeakPolarHBondContact OG-CA 3.38Å; S318-K341 PolarHBondContact OG-N 3.33Å
319	V	95.5	Very high	75.9	Confident	3 Å²	3	56 Å²	56	2%	0.018	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	138.6	179.7	179.5	0	0	0	0	110.2	K278 A279 L282 L290 I316 C321 L338 I339	K278-V319 WeakPolarHBondContact CA-O 3.5Å; A279-V319 PolarHBondContact N-O 3.4Å; A279-V319 VanDerWaalsContact N-O 3.12Å; A279-V319 PolarHBondContact O-N 2.97Å; L282-V319 HydrophobicContact CD1-CG2 4.01Å; L282-V319 HydrophobicContact CD2-CB 4.46Å; L282-V319 HydrophobicContact CD2-CG2 4.09Å; L282-V319 HydrophobicContact CG-CG2 4.32Å; L290-V319 HydrophobicContact CD1-CG1 4.13Å; L290-V319 HydrophobicContact CD1-CG2 4.07Å; I316-V319 HydrophobicContact CG2-CG2 3.2Å; V319-C321 VanDerWaalsContact CG1-SG 3.54Å; V319-L338 WeakPolarHBondContact CA-O 3.49Å; V319-I339 HydrophobicContact CB-CD1 4.47Å; V319-I339 HydrophobicContact CG1-CD1 4.08Å; V319-I339 HydrophobicContact CG2-CD1 3.86Å
320	L	96.9	Very high	77.6	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	115.2	166.8	166.7	60.7	0	0	0	109	T276 K278 C337 L338 F346 D350 E351 I354	T276-L320 HydrophobicContact CG2-CD1 3.2Å; K278-L320 HydrophobicContact CD-CD1 3.99Å; K278-L320 HydrophobicContact CG-CB 4.43Å; K278-L320 HydrophobicContact CG-CD1 3.54Å; L320-C337 CarbonylContact O-C 3.6Å; L320-C337 WeakPolarHBondContact O-CA 3.37Å; L320-L338 HydrophobicContact CB-CB 4.39Å; L320-L338 HydrophobicContact CD2-CD1 4.17Å; L320-L338 PolarHBondContact N-O 3.2Å; L320-L338 PolarHBondContact O-N 3.23Å; L320-F346 HydrophobicContact CB-CB 3.75Å; L320-F346 HydrophobicContact CB-CD1 3.88Å; L320-F346 HydrophobicContact CB-CD2 3.61Å; L320-F346 HydrophobicContact CB-CE1 4.37Å; L320-F346 HydrophobicContact CB-CE2 4.13Å; L320-F346 HydrophobicContact CB-CG 3.47Å; L320-F346 VanDerWaalsContact CB-CG 3.47Å; L320-F346 HydrophobicContact CB-CZ 4.49Å; L320-F346 HydrophobicContact CD2-CB 4.07Å; L320-F346 HydrophobicContact CD2-CD1 3.85Å; L320-F346 HydrophobicContact CD2-CG 4.09Å; L320-F346 HydrophobicContact CG-CB 4.44Å; L320-F346 HydrophobicContact CG-CG 4.41Å; L320-D350 HydrophobicContact CD2-CB 3.78Å; L320-E351 HydrophobicContact CD1-CG 3.82Å; L320-E351 HydrophobicContact CD2-CG 4.36Å; L320-I354 HydrophobicContact CD2-CD1 3.84Å; L320-I354 HydrophobicContact CG-CD1 4.23Å
321	C	96.5	Very high	79.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	104.4	172.7	-61.7	0	0	0	0	108.7	I270 T276 F277 V319 V335 V336	I270-C321 HydrophobicContact CD1-CB 3.68Å; T276-C321 WeakPolarHBondContact CA-O 3.36Å; T276-C321 WeakPolarHBondContact CG2-O 3.21Å; F277-C321 HydrophobicContact CB-CB 4.21Å; F277-C321 HydrophobicContact CD1-CB 4.38Å; F277-C321 PolarHBondContact N-O 2.86Å; F277-C321 PolarHBondContact O-N 2.78Å; V319-C321 VanDerWaalsContact CG1-SG 3.54Å; C321-V335 HydrophobicContact CB-CG1 3.83Å; C321-V336 CarbonylContact C-O 3.56Å; C321-V336 VanDerWaalsContact CA-O 3.31Å; C321-V336 WeakPolarHBondContact CA-O 3.08Å
322	S	95.5	Very high	81.6	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.007	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.2	-176.8	-165.7	0	0	0	0	110.6	V335 V336	S322-V335 WeakPolarHBondContact O-CA 3.43Å; S322-V336 PolarHBondContact N-O 2.87Å; S322-V336 PolarHBondContact O-N 3.46Å
323	P	94.4	Very high	83.5	Confident	7 Å²	7	49.5 Å²	49.5	5%	0.045	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	142.1	170.6	26.9	-30	0	0	0	109.8	I270 F325 P332 A334	I270-P323 HydrophobicContact CG2-CB 4.23Å; I270-P323 HydrophobicContact CG2-CG 4.27Å; P323-F325 HydrophobicContact CB-CE2 4.12Å; P323-F325 HydrophobicContact CB-CZ 4.44Å; P323-F325 HydrophobicContact CG-CE2 4.08Å; P323-F325 HydrophobicContact CG-CZ 4.48Å; P323-P332 HydrophobicContact CB-CB 3.81Å; P323-P332 HydrophobicContact CB-CG 3.77Å; P323-A334 CarbonylContact C-O 3.57Å; P323-A334 WeakPolarHBondContact CA-O 3.12Å
324	V	90.8	Very high	85	Confident	7 Å²	7	42.6 Å²	42.6	4%	0.042	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.4	178.6	172.1	0	0	0	0	109.2	P332 I333 A334 V336 I354 F358 A362	V324-P332 CarbonylContact O-C 3.56Å; V324-P332 VanDerWaalsContact O-CA 3.24Å; V324-P332 WeakPolarHBondContact O-CA 3.28Å; V324-I333 HydrophobicContact CG1-CD1 4.32Å; V324-I333 HydrophobicContact CG1-CG1 4.19Å; V324-I333 WeakPolarHBondContact O-CG1 3.12Å; V324-I333 PolarHBondContact O-N 2.82Å; V324-A334 HydrophobicContact CB-CB 4.27Å; V324-A334 PolarHBondContact N-O 2.92Å; V324-V336 HydrophobicContact CG2-CG2 3.61Å; V324-I354 HydrophobicContact CG2-CG2 4.16Å; V324-F358 HydrophobicContact CB-CB 4.45Å; V324-F358 HydrophobicContact CB-CD1 4.18Å; V324-F358 HydrophobicContact CB-CG 4.29Å; V324-F358 HydrophobicContact CG1-CB 3.46Å; V324-F358 VanDerWaalsContact CG1-CB 3.46Å; V324-F358 HydrophobicContact CG1-CD1 3.44Å; V324-F358 VanDerWaalsContact CG1-CD1 3.44Å; V324-F358 HydrophobicContact CG1-CE1 4.29Å; V324-F358 HydrophobicContact CG1-CG 3.59Å; V324-F358 HydrophobicContact CG2-CB 4.14Å; V324-F358 HydrophobicContact CG2-CD1 3.86Å; V324-F358 HydrophobicContact CG2-CD2 3.92Å; V324-F358 HydrophobicContact CG2-CE1 4.14Å; V324-F358 HydrophobicContact CG2-CE2 4.28Å; V324-F358 HydrophobicContact CG2-CG 3.68Å; V324-F358 HydrophobicContact CG2-CZ 4.35Å; V324-A362 HydrophobicContact CG1-CB 4.44Å
325	F	85.3	Confident	86	Confident	95 Å²	95	41.2 Å²	41.2	42%	0.417	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	153.7	179	-59.9	-96.6	0	0	0	110.9	P323 P332	P323-F325 HydrophobicContact CB-CE2 4.12Å; P323-F325 HydrophobicContact CB-CZ 4.44Å; P323-F325 HydrophobicContact CG-CE2 4.08Å; P323-F325 HydrophobicContact CG-CZ 4.48Å; F325-P332 HydrophobicContact CD1-CG 4.16Å; F325-P332 HydrophobicContact CE1-CB 4.42Å; F325-P332 HydrophobicContact CE1-CG 3.51Å; F325-P332 HydrophobicContact CE2-CG 4.33Å; F325-P332 HydrophobicContact CZ-CG 3.62Å
326	T	77.2	Confident	86.6	Confident	14 Å²	14	33.2 Å²	33.2	9%	0.086	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	157.4	165.5	61.9	0	0	0	0	109	S328 C329 I333 A362 L366	T326-S328 WeakPolarHBondContact CB-OG 3.4Å; T326-S328 PolarHBondContact O-N 3.41Å; T326-S328 VanDerWaalsContact O-N 3.08Å; T326-S328 PolarHBondContact OG1-OG 3.46Å; T326-C329 PolarHBondContact O-N 3.42Å; T326-C329 VanDerWaalsContact O-O 3.09Å; T326-C329 WeakPolarHBondContact OG1-CB 3.41Å; T326-C329 PolarHBondContact OG1-N 2.87Å; T326-I333 HydrophobicContact CG2-CD1 3.45Å; T326-I333 VanDerWaalsContact CG2-CD1 3.45Å; T326-I333 HydrophobicContact CG2-CG1 3.87Å; T326-I333 HydrophobicContact CG2-CG2 4.08Å; T326-A362 HydrophobicContact CG2-CB 3.88Å; T326-L366 HydrophobicContact CG2-CD1 3.72Å
327	R	68.5	Low	86.9	Confident	143 Å²	143	32.1 Å²	32.1	54%	0.54	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-13.7	172.7	-71.2	-171.6	-176.1	154.1	14.9	113.3	D16	D16-R327 IonicContact OD1-NH1 2.74Å; D16-R327 PolarHBondContact OD1-NH1 3.33Å; D16-R327 IonicContact OD2-CZ 3.26Å; D16-R327 IonicContact OD2-NH1 3.26Å; D16-R327 PolarHBondContact OD2-NH1 2.88Å; D16-R327 IonicContact OD2-NH2 2.64Å; D16-R327 PolarHBondContact OD2-NH2 3.02Å
328	S	66.1	Low	87.2	Confident	40 Å²	40	28 Å²	28	28%	0.28	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-17.9	-176.4	58	0	0	0	0	114.1	S9 T326	S9-S328 WeakPolarHBondContact OG-CB 3.23Å; T326-S328 WeakPolarHBondContact CB-OG 3.4Å; T326-S328 PolarHBondContact O-N 3.41Å; T326-S328 VanDerWaalsContact O-N 3.08Å; T326-S328 PolarHBondContact OG1-OG 3.46Å
329	C	67.6	Low	87.3	Confident	44 Å²	44	28 Å²	28	30%	0.297	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	121.4	-169.4	-162.5	0	0	0	0	110.2	T326 S331 I333	T326-C329 PolarHBondContact O-N 3.42Å; T326-C329 VanDerWaalsContact O-O 3.09Å; T326-C329 WeakPolarHBondContact OG1-CB 3.41Å; T326-C329 PolarHBondContact OG1-N 2.87Å; C329-S331 PolarHBondContact O-N 2.81Å; C329-S331 PolarHBondContact SG-O 3.4Å; C329-S331 PolarHBondContact SG-OG 2.92Å; C329-I333 HydrophobicContact CB-CG2 4.36Å
330	D	72.5	Confident	87.2	Confident	167 Å²	167	28.1 Å²	28.1	89%	0.893	15%	0.147	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	-19.9	175.8	-68	-30.4	0	0	0	112.2
331	S	81.5	Confident	87.1	Confident	50 Å²	50	28.9 Å²	28.9	35%	0.35	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	142.1	175.2	68.1	0	0	0	0	111.5	C329 I333	C329-S331 PolarHBondContact O-N 2.81Å; C329-S331 PolarHBondContact SG-O 3.4Å; C329-S331 PolarHBondContact SG-OG 2.92Å; S331-I333 PolarHBondContact O-N 3.45Å
332	P	87.7	Confident	86.9	Confident	6 Å²	6	37 Å²	37	4%	0.039	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.1	137.7	171.3	-26.2	35	0	0	0	112.1	M271 P323 V324 F325	M271-P332 HydrophobicContact CE-CB 4.22Å; M271-P332 WeakPolarHBondContact CE-O 3.42Å; M271-P332 WeakPolarHBondContact O-CD 3.46Å; M271-P332 VanDerWaalsContact O-CG 3.25Å; M271-P332 WeakPolarHBondContact O-CG 3.46Å; M271-P332 HydrophobicContact SD-CB 3.55Å; M271-P332 VanDerWaalsContact SD-CB 3.55Å; P323-P332 HydrophobicContact CB-CB 3.81Å; P323-P332 HydrophobicContact CB-CG 3.77Å; V324-P332 CarbonylContact O-C 3.56Å; V324-P332 VanDerWaalsContact O-CA 3.24Å; V324-P332 WeakPolarHBondContact O-CA 3.28Å; F325-P332 HydrophobicContact CD1-CG 4.16Å; F325-P332 HydrophobicContact CE1-CB 4.42Å; F325-P332 HydrophobicContact CE1-CG 3.51Å; F325-P332 HydrophobicContact CE2-CG 4.33Å; F325-P332 HydrophobicContact CZ-CG 3.62Å
333	I	87.5	Confident	86.5	Confident	10 Å²	10	41.9 Å²	41.9	5%	0.051	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-18.6	177.4	57.1	146	0	0	0	112.3	M237 R238 V324 T326 C329 S331 A362 L366	M237-I333 HydrophobicContact CE-CD1 4.39Å; R238-I333 PolarHBondContact N-O 3.07Å; V324-I333 HydrophobicContact CG1-CD1 4.32Å; V324-I333 HydrophobicContact CG1-CG1 4.19Å; V324-I333 WeakPolarHBondContact O-CG1 3.12Å; V324-I333 PolarHBondContact O-N 2.82Å; T326-I333 HydrophobicContact CG2-CD1 3.45Å; T326-I333 VanDerWaalsContact CG2-CD1 3.45Å; T326-I333 HydrophobicContact CG2-CG1 3.87Å; T326-I333 HydrophobicContact CG2-CG2 4.08Å; C329-I333 HydrophobicContact CB-CG2 4.36Å; S331-I333 PolarHBondContact O-N 3.45Å; I333-A362 HydrophobicContact CD1-CB 3.98Å; I333-L366 HydrophobicContact CB-CD2 4.15Å; I333-L366 HydrophobicContact CD1-CD1 3.93Å; I333-L366 HydrophobicContact CD1-CD2 3.74Å; I333-L366 HydrophobicContact CD1-CG 3.72Å; I333-L366 HydrophobicContact CG2-CD1 4.32Å; I333-L366 HydrophobicContact CG2-CD2 4.41Å
334	A	91.3	Very high	86.3	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	163.7	-176.5	0	0	0	0	0	111.4	I235 V236 M237 P323 V324	I235-A334 HydrophobicContact CG2-CB 4.32Å; V236-A334 CarbonylContact O-C 3.5Å; V236-A334 WeakPolarHBondContact O-CA 3.24Å; V236-A334 WeakPolarHBondContact O-CB 3.42Å; M237-A334 HydrophobicContact CE-CB 4.26Å; M237-A334 HydrophobicContact CG-CB 4.41Å; M237-A334 HydrophobicContact SD-CB 3.32Å; M237-A334 WeakPolarHBondContact SD-CB 3.4Å; P323-A334 CarbonylContact C-O 3.57Å; P323-A334 WeakPolarHBondContact CA-O 3.12Å; V324-A334 HydrophobicContact CB-CB 4.27Å; V324-A334 PolarHBondContact N-O 2.92Å
335	V	94.5	Very high	86.3	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.2	167.6	-171	0	0	0	0	108.7	V236 F267 I270 M271 C321 S322	V236-V335 HydrophobicContact CB-CB 4.41Å; V236-V335 PolarHBondContact N-O 3.49Å; V236-V335 PolarHBondContact O-N 3.1Å; F267-V335 HydrophobicContact CD1-CB 4.39Å; F267-V335 HydrophobicContact CD1-CG1 4.42Å; I270-V335 HydrophobicContact CB-CG2 4.45Å; I270-V335 HydrophobicContact CD1-CG1 4.48Å; I270-V335 HydrophobicContact CG2-CG1 4.01Å; I270-V335 HydrophobicContact CG2-CG2 3.99Å; M271-V335 HydrophobicContact CG-CG2 3.7Å; M271-V335 HydrophobicContact SD-CG2 3.42Å; M271-V335 WeakPolarHBondContact SD-CG2 3.32Å; C321-V335 HydrophobicContact CB-CG1 3.83Å; S322-V335 WeakPolarHBondContact O-CA 3.43Å
336	V	96.3	Very high	86.8	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	119.1	172.4	179	0	0	0	0	107.9	V224 C321 S322 V324 L338 I354 F358	V224-V336 HydrophobicContact CG1-CG1 4.2Å; C321-V336 CarbonylContact C-O 3.56Å; C321-V336 VanDerWaalsContact CA-O 3.31Å; C321-V336 WeakPolarHBondContact CA-O 3.08Å; S322-V336 PolarHBondContact N-O 2.87Å; S322-V336 PolarHBondContact O-N 3.46Å; V324-V336 HydrophobicContact CG2-CG2 3.61Å; V336-L338 HydrophobicContact CG1-CD2 4.36Å; V336-L338 HydrophobicContact CG1-CG 4.31Å; V336-I354 HydrophobicContact CB-CD1 4.34Å; V336-I354 HydrophobicContact CB-CG2 3.96Å; V336-I354 HydrophobicContact CG1-CD1 4.05Å; V336-I354 HydrophobicContact CG1-CG1 4.29Å; V336-I354 HydrophobicContact CG1-CG2 4.28Å; V336-I354 HydrophobicContact CG2-CG2 3.87Å; V336-F358 HydrophobicContact CB-CE2 4.49Å; V336-F358 HydrophobicContact CG2-CD2 4.03Å; V336-F358 HydrophobicContact CG2-CE1 4.18Å; V336-F358 HydrophobicContact CG2-CE2 3.23Å; V336-F358 HydrophobicContact CG2-CZ 3.29Å
337	C	96.1	Very high	87.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.6	-177.6	-58.2	0	0	0	0	109.4	G233 F234 F267 L320	G233-C337 CarbonylContact C-O 3.53Å; G233-C337 WeakPolarHBondContact CA-O 3.42Å; F234-C337 HydrophobicContact CD1-CB 4.32Å; F234-C337 HydrophobicContact CD2-CB 3.83Å; F234-C337 HydrophobicContact CE1-CB 4.1Å; F234-C337 HydrophobicContact CE2-CB 3.58Å; F234-C337 HydrophobicContact CG-CB 4.2Å; F234-C337 HydrophobicContact CZ-CB 3.74Å; F234-C337 PolarHBondContact N-O 3.23Å; F234-C337 PolarHBondContact O-N 3.14Å; F267-C337 VanDerWaalsContact CE1-SG 3.54Å; L320-C337 CarbonylContact O-C 3.6Å; L320-C337 WeakPolarHBondContact O-CA 3.37Å
338	L	97	Very high	88.5	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.5	177.8	-60.3	175.9	0	0	0	108.8	V224 M225 T228 V319 L320 V336 F346 I354	V224-L338 HydrophobicContact CG1-CD1 3.81Å; V224-L338 HydrophobicContact CG1-CD2 3.92Å; V224-L338 HydrophobicContact CG1-CG 4.35Å; M225-L338 HydrophobicContact CG-CD2 3.88Å; T228-L338 HydrophobicContact CG2-CD1 3.81Å; T228-L338 WeakPolarHBondContact OG1-CD1 3.46Å; V319-L338 WeakPolarHBondContact CA-O 3.49Å; L320-L338 HydrophobicContact CB-CB 4.39Å; L320-L338 HydrophobicContact CD2-CD1 4.17Å; L320-L338 PolarHBondContact N-O 3.2Å; L320-L338 PolarHBondContact O-N 3.23Å; V336-L338 HydrophobicContact CG1-CD2 4.36Å; V336-L338 HydrophobicContact CG1-CG 4.31Å; L338-F346 HydrophobicContact CB-CE1 3.69Å; L338-F346 HydrophobicContact CB-CE2 4.28Å; L338-F346 HydrophobicContact CB-CZ 3.5Å; L338-F346 VanDerWaalsContact CB-CZ 3.5Å; L338-F346 HydrophobicContact CD1-CE1 4.06Å; L338-F346 WeakPolarHBondContact O-CE2 3.33Å; L338-I354 HydrophobicContact CD1-CD1 3.87Å; L338-I354 HydrophobicContact CD1-CG1 4.4Å
339	I	94.5	Very high	89.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132.5	-171.6	-52.8	-64.8	0	0	0	108.8	S230 E231 N232 L290 L294 I316 V319	S230-I339 PolarHBondContact OG-N 3.05Å; S230-I339 PolarHBondContact OG-O 3.49Å; E231-I339 PolarHBondContact N-O 3.05Å; N232-I339 HydrophobicContact CB-CB 4.25Å; N232-I339 PolarHBondContact N-O 2.92Å; N232-I339 VanDerWaalsContact N-O 3.07Å; N232-I339 PolarHBondContact O-N 3.06Å; L290-I339 HydrophobicContact CD1-CD1 4.31Å; L294-I339 HydrophobicContact CD1-CG1 4.33Å; I316-I339 HydrophobicContact CG1-CG2 4.14Å; I316-I339 HydrophobicContact CG2-CG2 4.22Å; V319-I339 HydrophobicContact CB-CD1 4.47Å; V319-I339 HydrophobicContact CG1-CD1 4.08Å; V319-I339 HydrophobicContact CG2-CD1 3.86Å
340	N	93.7	Very high	90.9	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.027	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.4	80.1	173.8	-68.7	-4.8	0	0	0	113.4	E231 Q315 I316 H317 S318 R342	E231-N340 HydrophobicContact CB-CB 3.78Å; E231-N340 VanDerWaalsContact CB-O 3.22Å; E231-N340 WeakPolarHBondContact CB-O 3.35Å; E231-N340 PolarHBondContact N-O 2.86Å; E231-N340 WeakPolarHBondContact OE2-CB 3.26Å; E231-N340 PolarHBondContact OE2-ND2 2.83Å; Q315-N340 PolarHBondContact O-ND2 3.08Å; Q315-N340 PolarHBondContact O-OD1 3.45Å; I316-N340 WeakPolarHBondContact CA-OD1 3.39Å; H317-N340 PolarHBondContact CD2-OD1 3.42Å; H317-N340 VanDerWaalsContact CD2-OD1 3.25Å; H317-N340 PolarHBondContact N-OD1 3.18Å; H317-N340 WeakPolarHBondContact NE2-CB 3.21Å; S318-N340 PolarHBondContact O-N 3.48Å; S318-N340 VanDerWaalsContact OG-CA 3.25Å; S318-N340 WeakPolarHBondContact OG-CA 3.38Å; N340-R342 PolarHBondContact O-N 2.68Å
341	K	94.6	Very high	91.9	Very high	17 Å²	17	37.2 Å²	37.2	7%	0.074	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	125.2	168.4	-176.1	165.3	-175.7	174.9	0	109.8	T228 H317 S318 D343 S344 F346 D350	T228-K341 VanDerWaalsContact O-CE 3.24Å; T228-K341 WeakPolarHBondContact O-CE 3.39Å; H317-K341 PolarHBondContact CE1-O 3.35Å; S318-K341 PolarHBondContact OG-N 3.33Å; K341-D343 WeakPolarHBondContact CE-OD1 3.49Å; K341-D343 WeakPolarHBondContact CG-OD1 3.42Å; K341-D343 PolarHBondContact O-N 3.36Å; K341-S344 WeakPolarHBondContact CB-O 3.37Å; K341-S344 VanDerWaalsContact CE-OG 3.26Å; K341-S344 WeakPolarHBondContact CE-OG 3.43Å; K341-F346 HydrophobicContact CB-CD1 4.03Å; K341-F346 HydrophobicContact CB-CD2 4.23Å; K341-F346 HydrophobicContact CB-CE1 3.76Å; K341-F346 HydrophobicContact CB-CE2 3.97Å; K341-F346 HydrophobicContact CB-CG 4.26Å; K341-F346 HydrophobicContact CB-CZ 3.71Å; K341-F346 HydrophobicContact CD-CD1 3.85Å; K341-F346 HydrophobicContact CD-CE1 4.17Å; K341-F346 HydrophobicContact CD-CG 4.35Å; K341-F346 HydrophobicContact CG-CD1 4.46Å; K341-F346 HydrophobicContact CG-CE1 4.34Å; K341-D350 IonicContact NZ-OD1 3.22Å; K341-D350 PolarHBondContact NZ-OD1 3.28Å; K341-D350 IonicContact NZ-OD2 3.45Å; K341-D350 PolarHBondContact NZ-OD2 3.4Å
342	R	91.8	Very high	92.2	Very high	169 Å²	169	42 Å²	42	64%	0.638	20%	0.203	S	C	*	.	S	Bend	trans	-71	-29.4	-165.6	-67.8	178.6	178.7	154	2.1	114.7	N229 E231 N340	N229-R342 PolarHBondContact O-N 3.48Å; E231-R342 HydrophobicContact CB-CG 4.37Å; N340-R342 PolarHBondContact O-N 2.68Å
343	D	88.5	Confident	92.4	Very high	105 Å²	105	43.3 Å²	43.3	56%	0.561	21%	0.21	S	C	*	.	S	Bend	trans	-109.1	-15.7	-171.4	57.4	10.7	0	0	0	114.1	N229 K341	N229-D343 PolarHBondContact ND2-OD2 3.05Å; K341-D343 WeakPolarHBondContact CE-OD1 3.49Å; K341-D343 WeakPolarHBondContact CG-OD1 3.42Å; K341-D343 PolarHBondContact O-N 3.36Å
344	S	89.4	Confident	92.6	Very high	53 Å²	53	42.9 Å²	42.9	37%	0.371	21%	0.208	S	C	.	.	S	Bend	trans	-172	-167.8	-167	61.2	0	0	0	0	111.6	K341	K341-S344 WeakPolarHBondContact CB-O 3.37Å; K341-S344 VanDerWaalsContact CE-OG 3.26Å; K341-S344 WeakPolarHBondContact CE-OG 3.43Å
345	Q	91	Very high	92.5	Very high	84 Å²	84	48.1 Å²	48.1	39%	0.393	23%	0.232	S	C	.	.			trans	-91.9	153.1	170.2	-67.5	-64.1	-24.4	0	0	110.6	T280 H317 T347	T280-Q345 HydrophobicContact CG2-CG 4.15Å; H317-Q345 PolarHBondContact O-NE2 2.96Å; Q345-T347 WeakPolarHBondContact O-CG2 3.35Å; Q345-T347 PolarHBondContact O-N 2.9Å
346	F	95	Very high	92.1	Very high	18 Å²	18	51.8 Å²	51.8	8%	0.079	25%	0.249	C	C	.	.			trans	-62.7	136.4	174.7	-67.5	-74.3	0	0	0	111.4	L320 L338 K341 D350	L320-F346 HydrophobicContact CB-CB 3.75Å; L320-F346 HydrophobicContact CB-CD1 3.88Å; L320-F346 HydrophobicContact CB-CD2 3.61Å; L320-F346 HydrophobicContact CB-CE1 4.37Å; L320-F346 HydrophobicContact CB-CE2 4.13Å; L320-F346 HydrophobicContact CB-CG 3.47Å; L320-F346 VanDerWaalsContact CB-CG 3.47Å; L320-F346 HydrophobicContact CB-CZ 4.49Å; L320-F346 HydrophobicContact CD2-CB 4.07Å; L320-F346 HydrophobicContact CD2-CD1 3.85Å; L320-F346 HydrophobicContact CD2-CG 4.09Å; L320-F346 HydrophobicContact CG-CB 4.44Å; L320-F346 HydrophobicContact CG-CG 4.41Å; L338-F346 HydrophobicContact CB-CE1 3.69Å; L338-F346 HydrophobicContact CB-CE2 4.28Å; L338-F346 HydrophobicContact CB-CZ 3.5Å; L338-F346 VanDerWaalsContact CB-CZ 3.5Å; L338-F346 HydrophobicContact CD1-CE1 4.06Å; L338-F346 WeakPolarHBondContact O-CE2 3.33Å; K341-F346 HydrophobicContact CB-CD1 4.03Å; K341-F346 HydrophobicContact CB-CD2 4.23Å; K341-F346 HydrophobicContact CB-CE1 3.76Å; K341-F346 HydrophobicContact CB-CE2 3.97Å; K341-F346 HydrophobicContact CB-CG 4.26Å; K341-F346 HydrophobicContact CB-CZ 3.71Å; K341-F346 HydrophobicContact CD-CD1 3.85Å; K341-F346 HydrophobicContact CD-CE1 4.17Å; K341-F346 HydrophobicContact CD-CG 4.35Å; K341-F346 HydrophobicContact CG-CD1 4.46Å; K341-F346 HydrophobicContact CG-CE1 4.34Å; F346-D350 WeakPolarHBondContact CA-OD2 3.02Å; F346-D350 HydrophobicContact CD1-CB 4.18Å
347	T	92.5	Very high	91.8	Very high	52 Å²	52	51.8 Å²	51.8	32%	0.319	25%	0.249	S	C	.	.			trans	-119.3	171.2	-171.7	62.7	0	0	0	0	110.7	Q345 S349 D350 E351	Q345-T347 WeakPolarHBondContact O-CG2 3.35Å; Q345-T347 PolarHBondContact O-N 2.9Å; T347-S349 PolarHBondContact O-N 3.48Å; T347-S349 PolarHBondContact OG1-N 3.13Å; T347-S349 PolarHBondContact OG1-OG 3.35Å; T347-D350 PolarHBondContact N-OD2 3.3Å; T347-D350 WeakPolarHBondContact O-CB 3.42Å; T347-D350 PolarHBondContact O-N 3.26Å; T347-D350 VanDerWaalsContact O-N 3.1Å; T347-D350 PolarHBondContact OG1-OD2 3.01Å; T347-E351 PolarHBondContact O-N 2.9Å
348	Q	90.5	Very high	91.5	Very high	118 Å²	118	52 Å²	52	55%	0.551	25%	0.25	S	S	*	.	H	α-helix	trans	-65.2	-22.4	174	-166.4	171.7	35.6	0	0	112.9	D350 E351 R352	Q348-D350 VanDerWaalsContact C-N 3.31Å; Q348-E351 PolarHBondContact O-N 3.45Å; Q348-R352 WeakPolarHBondContact O-CG 3.11Å; Q348-R352 PolarHBondContact O-N 2.84Å; Q348-R352 VanDerWaalsContact O-N 3.16Å
349	S	89.7	Confident	90.9	Very high	69 Å²	69	58.3 Å²	58.3	48%	0.483	27%	0.274	S	S	.	.	H	α-helix	trans	-69.2	-31.3	172.4	51.1	0	0	0	0	112.2	T347 R352 I353	T347-S349 PolarHBondContact O-N 3.48Å; T347-S349 PolarHBondContact OG1-N 3.13Å; T347-S349 PolarHBondContact OG1-OG 3.35Å; S349-R352 PolarHBondContact O-N 3.32Å; S349-I353 WeakPolarHBondContact O-CG1 3.41Å; S349-I353 PolarHBondContact O-N 3.44Å; S349-I353 VanDerWaalsContact O-N 3.09Å
350	D	93.8	Very high	90.3	Very high	4 Å²	4	62.3 Å²	62.3	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-68.5	-39.2	175.9	-55.5	-61.5	0	0	0	111.1	T228 L320 K341 F346 T347 Q348 R352 I353 I354	T228-D350 HydrophobicContact CG2-CB 3.95Å; L320-D350 HydrophobicContact CD2-CB 3.78Å; K341-D350 IonicContact NZ-OD1 3.22Å; K341-D350 PolarHBondContact NZ-OD1 3.28Å; K341-D350 IonicContact NZ-OD2 3.45Å; K341-D350 PolarHBondContact NZ-OD2 3.4Å; F346-D350 WeakPolarHBondContact CA-OD2 3.02Å; F346-D350 HydrophobicContact CD1-CB 4.18Å; T347-D350 PolarHBondContact N-OD2 3.3Å; T347-D350 WeakPolarHBondContact O-CB 3.42Å; T347-D350 PolarHBondContact O-N 3.26Å; T347-D350 VanDerWaalsContact O-N 3.1Å; T347-D350 PolarHBondContact OG1-OD2 3.01Å; Q348-D350 VanDerWaalsContact C-N 3.31Å; D350-R352 PolarHBondContact O-N 3.28Å; D350-I353 WeakPolarHBondContact O-CB 3.17Å; D350-I353 PolarHBondContact O-N 2.93Å; D350-I354 PolarHBondContact O-N 2.86Å
351	E	92.6	Very high	90	Very high	20 Å²	20	62 Å²	62	9%	0.093	29%	0.29	C	S	.	.	H	α-helix	trans	-58.1	-46.6	171.6	-69	171.3	-170	0	0	111.6	T276 K278 L320 T347 Q348 I353 I354 E355	T276-E351 HydrophobicContact CG2-CG 3.9Å; T276-E351 WeakPolarHBondContact CG2-OE1 3.26Å; K278-E351 WeakPolarHBondContact CD-OE1 3.17Å; K278-E351 WeakPolarHBondContact CE-OE1 3.5Å; K278-E351 IonicContact NZ-OE1 3.2Å; K278-E351 PolarHBondContact NZ-OE1 3.33Å; K278-E351 IonicContact NZ-OE2 3.19Å; L320-E351 HydrophobicContact CD1-CG 3.82Å; L320-E351 HydrophobicContact CD2-CG 4.36Å; T347-E351 PolarHBondContact O-N 2.9Å; Q348-E351 PolarHBondContact O-N 3.45Å; E351-I353 VanDerWaalsContact C-N 3.28Å; E351-I353 PolarHBondContact O-N 2.77Å; E351-I354 WeakPolarHBondContact O-CB 3.45Å; E351-I354 PolarHBondContact O-N 3.46Å; E351-I354 VanDerWaalsContact O-N 3.08Å; E351-E355 WeakPolarHBondContact O-CG 3.37Å; E351-E355 PolarHBondContact O-N 2.97Å
352	R	88.6	Confident	89.6	Confident	150 Å²	150	61.3 Å²	61.3	57%	0.566	29%	0.288	S	S	*	.	H	α-helix	trans	-62.6	-34.1	178.2	-70.8	179.2	-169.8	176.7	4.7	112.8	Q348 S349 D350 I354 E355 E356	Q348-R352 WeakPolarHBondContact O-CG 3.11Å; Q348-R352 PolarHBondContact O-N 2.84Å; Q348-R352 VanDerWaalsContact O-N 3.16Å; S349-R352 PolarHBondContact O-N 3.32Å; D350-R352 PolarHBondContact O-N 3.28Å; R352-I354 VanDerWaalsContact C-N 3.32Å; R352-E355 PolarHBondContact O-N 3.42Å; R352-E356 WeakPolarHBondContact O-CB 3.47Å; R352-E356 WeakPolarHBondContact O-CG 3.42Å; R352-E356 PolarHBondContact O-N 2.93Å
353	I	91.1	Very high	89.1	Confident	35 Å²	35	54.6 Å²	54.6	18%	0.179	27%	0.266	C	S	.	.	H	α-helix	trans	-62.7	-42.1	174.5	-71.6	167.1	0	0	0	110.4	R227 T228 S349 D350 E351 C357	R227-I353 HydrophobicContact CB-CD1 4.45Å; R227-I353 HydrophobicContact CB-CG2 3.69Å; T228-I353 HydrophobicContact CG2-CB 4.31Å; T228-I353 HydrophobicContact CG2-CD1 4.31Å; T228-I353 HydrophobicContact CG2-CG2 4.07Å; S349-I353 WeakPolarHBondContact O-CG1 3.41Å; S349-I353 PolarHBondContact O-N 3.44Å; S349-I353 VanDerWaalsContact O-N 3.09Å; D350-I353 WeakPolarHBondContact O-CB 3.17Å; D350-I353 PolarHBondContact O-N 2.93Å; E351-I353 VanDerWaalsContact C-N 3.28Å; E351-I353 PolarHBondContact O-N 2.77Å; I353-C357 WeakPolarHBondContact O-CB 3.46Å; I353-C357 PolarHBondContact O-N 2.83Å
354	I	92.9	Very high	88.8	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-50.6	176.1	-61.9	169.2	0	0	0	110	V224 L320 V324 V336 L338 D350 E351 R352 E356 C357 F358	V224-I354 HydrophobicContact CG1-CG1 3.75Å; L320-I354 HydrophobicContact CD2-CD1 3.84Å; L320-I354 HydrophobicContact CG-CD1 4.23Å; V324-I354 HydrophobicContact CG2-CG2 4.16Å; V336-I354 HydrophobicContact CB-CD1 4.34Å; V336-I354 HydrophobicContact CB-CG2 3.96Å; V336-I354 HydrophobicContact CG1-CD1 4.05Å; V336-I354 HydrophobicContact CG1-CG1 4.29Å; V336-I354 HydrophobicContact CG1-CG2 4.28Å; V336-I354 HydrophobicContact CG2-CG2 3.87Å; L338-I354 HydrophobicContact CD1-CD1 3.87Å; L338-I354 HydrophobicContact CD1-CG1 4.4Å; D350-I354 PolarHBondContact O-N 2.86Å; E351-I354 WeakPolarHBondContact O-CB 3.45Å; E351-I354 PolarHBondContact O-N 3.46Å; E351-I354 VanDerWaalsContact O-N 3.08Å; R352-I354 VanDerWaalsContact C-N 3.32Å; I354-E356 PolarHBondContact O-N 3.31Å; I354-C357 PolarHBondContact O-N 2.96Å; I354-F358 HydrophobicContact CG2-CD2 3.89Å; I354-F358 HydrophobicContact CG2-CE2 4.22Å; I354-F358 WeakPolarHBondContact O-CD2 3.22Å; I354-F358 PolarHBondContact O-N 2.87Å
355	E	88.5	Confident	88.5	Confident	110 Å²	110	50 Å²	50	51%	0.514	24%	0.237	S	C	.	.	H	α-helix	trans	-56.4	-49.1	179.6	-72	176.7	173.2	0	0	112	E351 R352 F358 R359	E351-E355 WeakPolarHBondContact O-CG 3.37Å; E351-E355 PolarHBondContact O-N 2.97Å; R352-E355 PolarHBondContact O-N 3.42Å; E355-F358 PolarHBondContact O-N 3.3Å; E355-R359 WeakPolarHBondContact O-CB 3.39Å; E355-R359 PolarHBondContact O-N 2.89Å
356	E	85.6	Confident	88.1	Confident	76 Å²	76	47.1 Å²	47.1	36%	0.355	22%	0.223	S	C	.	.	H	α-helix	trans	-67.4	-37.2	179	-74.5	-61.1	145	0	0	112.2	R352 I354 R359 F360	R352-E356 WeakPolarHBondContact O-CB 3.47Å; R352-E356 WeakPolarHBondContact O-CG 3.42Å; R352-E356 PolarHBondContact O-N 2.93Å; I354-E356 PolarHBondContact O-N 3.31Å; E356-R359 WeakPolarHBondContact O-CB 3.35Å; E356-R359 IonicContact OE1-NH1 2.78Å; E356-F360 WeakPolarHBondContact O-CD2 3.34Å; E356-F360 WeakPolarHBondContact O-CE2 3.26Å
357	C	90.2	Very high	87.4	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.007	24%	0.235	C	C	.	.	H	α-helix	trans	-61.3	-54.2	174.6	-177.5	0	0	0	0	110.9	I201 Y223 V224 I353 I354 R359 F360 V361	I201-C357 HydrophobicContact CD1-CB 4.3Å; Y223-C357 HydrophobicContact CD1-CB 4.38Å; Y223-C357 HydrophobicContact CE1-CB 4.08Å; V224-C357 HydrophobicContact CG2-CB 4.24Å; I353-C357 WeakPolarHBondContact O-CB 3.46Å; I353-C357 PolarHBondContact O-N 2.83Å; I354-C357 PolarHBondContact O-N 2.96Å; C357-R359 VanDerWaalsContact C-N 3.3Å; C357-R359 PolarHBondContact O-N 2.84Å; C357-F360 PolarHBondContact O-N 3.42Å; C357-F360 VanDerWaalsContact O-N 3.12Å; C357-V361 WeakPolarHBondContact O-CG2 3.48Å; C357-V361 PolarHBondContact O-N 2.87Å; C357-V361 VanDerWaalsContact O-N 3.14Å
358	F	90.3	Very high	86.8	Confident	5 Å²	5	47.1 Å²	47.1	2%	0.022	23%	0.228	C	C	.	.	H	α-helix	trans	-71.9	-21.1	-175.2	-81.9	-94.4	0	0	0	114.2	V220 V224 I235 V324 V336 I354 E355 F360 V361 A362 L365	V220-F358 HydrophobicContact CG1-CE1 4.34Å; V220-F358 HydrophobicContact CG1-CE2 3.82Å; V220-F358 HydrophobicContact CG1-CZ 3.68Å; V224-F358 HydrophobicContact CG2-CE2 4.32Å; I235-F358 HydrophobicContact CD1-CZ 4.01Å; I235-F358 HydrophobicContact CG2-CZ 4.49Å; V324-F358 HydrophobicContact CB-CB 4.45Å; V324-F358 HydrophobicContact CB-CD1 4.18Å; V324-F358 HydrophobicContact CB-CG 4.29Å; V324-F358 HydrophobicContact CG1-CB 3.46Å; V324-F358 VanDerWaalsContact CG1-CB 3.46Å; V324-F358 HydrophobicContact CG1-CD1 3.44Å; V324-F358 VanDerWaalsContact CG1-CD1 3.44Å; V324-F358 HydrophobicContact CG1-CE1 4.29Å; V324-F358 HydrophobicContact CG1-CG 3.59Å; V324-F358 HydrophobicContact CG2-CB 4.14Å; V324-F358 HydrophobicContact CG2-CD1 3.86Å; V324-F358 HydrophobicContact CG2-CD2 3.92Å; V324-F358 HydrophobicContact CG2-CE1 4.14Å; V324-F358 HydrophobicContact CG2-CE2 4.28Å; V324-F358 HydrophobicContact CG2-CG 3.68Å; V324-F358 HydrophobicContact CG2-CZ 4.35Å; V336-F358 HydrophobicContact CB-CE2 4.49Å; V336-F358 HydrophobicContact CG2-CD2 4.03Å; V336-F358 HydrophobicContact CG2-CE1 4.18Å; V336-F358 HydrophobicContact CG2-CE2 3.23Å; V336-F358 HydrophobicContact CG2-CZ 3.29Å; I354-F358 HydrophobicContact CG2-CD2 3.89Å; I354-F358 HydrophobicContact CG2-CE2 4.22Å; I354-F358 WeakPolarHBondContact O-CD2 3.22Å; I354-F358 PolarHBondContact O-N 2.87Å; E355-F358 PolarHBondContact O-N 3.3Å; F358-F360 PolarHBondContact O-N 2.98Å; F358-F360 VanDerWaalsContact O-N 3.14Å; F358-V361 HydrophobicContact CD1-CG2 3.98Å; F358-V361 HydrophobicContact CD2-CG2 4.49Å; F358-V361 HydrophobicContact CE1-CG2 4.37Å; F358-V361 HydrophobicContact CG-CG2 4.11Å; F358-V361 PolarHBondContact O-N 3.31Å; F358-A362 HydrophobicContact CB-CB 4.46Å; F358-A362 HydrophobicContact CD1-CB 4.25Å; F358-A362 WeakPolarHBondContact O-CB 3.44Å; F358-A362 PolarHBondContact O-N 3.17Å; F358-L365 HydrophobicContact CD1-CD1 4.49Å; F358-L365 HydrophobicContact CE1-CD1 3.78Å; F358-L365 HydrophobicContact CZ-CD1 4.43Å
359	R	83.2	Confident	86.2	Confident	132 Å²	132	41.8 Å²	41.8	50%	0.498	20%	0.203	S	C	.	.	H	α-helix	trans	-51.2	-34.9	167.2	-179.1	178.2	177.6	162	1.6	112.5	E355 E356 C357	E355-R359 WeakPolarHBondContact O-CB 3.39Å; E355-R359 PolarHBondContact O-N 2.89Å; E356-R359 WeakPolarHBondContact O-CB 3.35Å; E356-R359 IonicContact OE1-NH1 2.78Å; C357-R359 VanDerWaalsContact C-N 3.3Å; C357-R359 PolarHBondContact O-N 2.84Å
360	F	83.2	Confident	85.7	Confident	84 Å²	84	40.4 Å²	40.4	37%	0.368	20%	0.196	S	C	.	.	H	α-helix	trans	-100.9	-32.9	-179.2	-56.9	-72.4	0	0	0	113.4	I201 E356 C357 F358	I201-F360 HydrophobicContact CG1-CD2 3.86Å; I201-F360 HydrophobicContact CG1-CE2 4.46Å; E356-F360 WeakPolarHBondContact O-CD2 3.34Å; E356-F360 WeakPolarHBondContact O-CE2 3.26Å; C357-F360 PolarHBondContact O-N 3.42Å; C357-F360 VanDerWaalsContact O-N 3.12Å; F358-F360 PolarHBondContact O-N 2.98Å; F358-F360 VanDerWaalsContact O-N 3.14Å
361	V	87	Confident	85	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-96.7	-22.1	-171	-50.7	0	0	0	0	114.8	L204 L208 V220 C357 F358 P363 I364 L365	L204-V361 HydrophobicContact CD2-CG1 3.86Å; L204-V361 HydrophobicContact CG-CG1 4.47Å; L208-V361 HydrophobicContact CD1-CB 3.9Å; L208-V361 HydrophobicContact CD1-CG1 3.47Å; L208-V361 VanDerWaalsContact CD1-CG1 3.47Å; V220-V361 HydrophobicContact CG1-CG2 3.78Å; V220-V361 HydrophobicContact CG2-CB 4.04Å; V220-V361 HydrophobicContact CG2-CG1 4.3Å; V220-V361 HydrophobicContact CG2-CG2 3.87Å; C357-V361 WeakPolarHBondContact O-CG2 3.48Å; C357-V361 PolarHBondContact O-N 2.87Å; C357-V361 VanDerWaalsContact O-N 3.14Å; F358-V361 HydrophobicContact CD1-CG2 3.98Å; F358-V361 HydrophobicContact CD2-CG2 4.49Å; F358-V361 HydrophobicContact CE1-CG2 4.37Å; F358-V361 HydrophobicContact CG-CG2 4.11Å; F358-V361 PolarHBondContact O-N 3.31Å; V361-P363 VanDerWaalsContact C-CD 3.48Å; V361-I364 PolarHBondContact O-N 3.45Å; V361-I364 VanDerWaalsContact O-N 3.16Å; V361-L365 HydrophobicContact CG2-CD1 4.37Å; V361-L365 PolarHBondContact O-N 2.93Å; V361-L365 VanDerWaalsContact O-N 3.09Å
362	A	85.5	Confident	84.2	Confident	2 Å²	2	47.8 Å²	47.8	2%	0.017	23%	0.226	C	C	.	.	H	α-helix	trans	-55.5	-43.6	-177.7	0	0	0	0	0	114.3	V324 T326 I333 F358 I364 L365 L366	V324-A362 HydrophobicContact CG1-CB 4.44Å; T326-A362 HydrophobicContact CG2-CB 3.88Å; I333-A362 HydrophobicContact CD1-CB 3.98Å; F358-A362 HydrophobicContact CB-CB 4.46Å; F358-A362 HydrophobicContact CD1-CB 4.25Å; F358-A362 WeakPolarHBondContact O-CB 3.44Å; F358-A362 PolarHBondContact O-N 3.17Å; A362-I364 VanDerWaalsContact C-N 3.3Å; A362-I364 PolarHBondContact O-N 3.07Å; A362-L365 PolarHBondContact O-N 3.5Å; A362-L366 WeakPolarHBondContact O-CG 3.47Å; A362-L366 PolarHBondContact O-N 3.45Å
363	P	81.1	Confident	83.7	Confident	28 Å²	28	41.5 Å²	41.5	18%	0.182	20%	0.203	C	C	.	.	H	α-helix	trans	-54.5	-43.6	176	-30.6	38.8	0	0	0	113.9	E13 V361 S367	E13-P363 HydrophobicContact CB-CB 4.31Å; E13-P363 HydrophobicContact CB-CG 4.25Å; E13-P363 VanDerWaalsContact CD-CB 3.42Å; E13-P363 VanDerWaalsContact CD-CG 3.43Å; E13-P363 HydrophobicContact CG-CB 4.12Å; E13-P363 HydrophobicContact CG-CG 3.78Å; E13-P363 WeakPolarHBondContact OE1-CG 3.49Å; E13-P363 WeakPolarHBondContact OE2-CB 3.11Å; V361-P363 VanDerWaalsContact C-CD 3.48Å; P363-S367 WeakPolarHBondContact O-CB 3.45Å; P363-S367 PolarHBondContact O-N 3.35Å; P363-S367 VanDerWaalsContact O-N 3.09Å; P363-S367 PolarHBondContact O-OG 3.21Å
364	I	83	Confident	83.2	Confident	60 Å²	60	45.5 Å²	45.5	31%	0.308	22%	0.221	S	C	.	.	H	α-helix	trans	-67.8	-49	-178.3	-63.2	170.8	0	0	0	109.1	L208 L216 V361 A362 L366 S367 S368	L208-I364 HydrophobicContact CB-CD1 4.4Å; L208-I364 HydrophobicContact CD1-CD1 4.04Å; L216-I364 HydrophobicContact CD1-CG2 4.43Å; V361-I364 PolarHBondContact O-N 3.45Å; V361-I364 VanDerWaalsContact O-N 3.16Å; A362-I364 VanDerWaalsContact C-N 3.3Å; A362-I364 PolarHBondContact O-N 3.07Å; I364-L366 PolarHBondContact O-N 3.22Å; I364-S367 PolarHBondContact O-N 2.85Å; I364-S368 WeakPolarHBondContact O-CB 3.44Å; I364-S368 PolarHBondContact O-N 3.06Å; I364-S368 PolarHBondContact O-OG 3.02Å
365	L	84.3	Confident	82.6	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-61.5	-42.8	-179.8	-65.6	-174.5	0	0	0	112.5	L216 Q217 V220 M237 F358 V361 A362 S368 L369	L216-L365 HydrophobicContact CB-CD2 4Å; Q217-L365 HydrophobicContact CG-CD2 3.88Å; V220-L365 HydrophobicContact CB-CD1 4.4Å; V220-L365 HydrophobicContact CG1-CD1 4.34Å; V220-L365 HydrophobicContact CG2-CD1 4.14Å; V220-L365 HydrophobicContact CG2-CD2 4.2Å; V220-L365 HydrophobicContact CG2-CG 4.44Å; M237-L365 HydrophobicContact CE-CB 4.31Å; F358-L365 HydrophobicContact CD1-CD1 4.49Å; F358-L365 HydrophobicContact CE1-CD1 3.78Å; F358-L365 HydrophobicContact CZ-CD1 4.43Å; V361-L365 HydrophobicContact CG2-CD1 4.37Å; V361-L365 PolarHBondContact O-N 2.93Å; V361-L365 VanDerWaalsContact O-N 3.09Å; A362-L365 PolarHBondContact O-N 3.5Å; L365-S368 PolarHBondContact O-N 3.42Å; L365-L369 VanDerWaalsContact O-CB 3.28Å; L365-L369 WeakPolarHBondContact O-CB 3.39Å; L365-L369 PolarHBondContact O-N 3.08Å
366	L	81.5	Confident	82	Confident	22 Å²	22	53.1 Å²	53.1	12%	0.115	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-49	176.2	-77.5	-174.5	0	0	0	112.1	M237 I240 T326 I333 A362 I364 S368 L369 A370	M237-L366 HydrophobicContact CE-CD2 3.97Å; I240-L366 HydrophobicContact CD1-CD2 4.03Å; T326-L366 HydrophobicContact CG2-CD1 3.72Å; I333-L366 HydrophobicContact CB-CD2 4.15Å; I333-L366 HydrophobicContact CD1-CD1 3.93Å; I333-L366 HydrophobicContact CD1-CD2 3.74Å; I333-L366 HydrophobicContact CD1-CG 3.72Å; I333-L366 HydrophobicContact CG2-CD1 4.32Å; I333-L366 HydrophobicContact CG2-CD2 4.41Å; A362-L366 WeakPolarHBondContact O-CG 3.47Å; A362-L366 PolarHBondContact O-N 3.45Å; I364-L366 PolarHBondContact O-N 3.22Å; L366-S368 VanDerWaalsContact C-N 3.33Å; L366-S368 PolarHBondContact O-N 2.87Å; L366-L369 PolarHBondContact O-N 2.97Å; L366-A370 WeakPolarHBondContact O-CB 3.47Å; L366-A370 PolarHBondContact O-N 3.47Å
367	S	79.8	Confident	81.7	Confident	47 Å²	47	53.4 Å²	53.4	33%	0.329	25%	0.249	S	C	.	.	H	α-helix	trans	-64	-41	-179	-61.7	0	0	0	0	111.6	P363 I364 Y371	P363-S367 WeakPolarHBondContact O-CB 3.45Å; P363-S367 PolarHBondContact O-N 3.35Å; P363-S367 VanDerWaalsContact O-N 3.09Å; P363-S367 PolarHBondContact O-OG 3.21Å; I364-S367 PolarHBondContact O-N 2.85Å; S367-Y371 WeakPolarHBondContact O-CB 3.37Å; S367-Y371 PolarHBondContact O-N 3.46Å
368	S	80.3	Confident	81.4	Confident	24 Å²	24	61.3 Å²	61.3	17%	0.168	28%	0.279	C	S	.	.	H	α-helix	trans	-68	-38.1	177.2	-57.6	0	0	0	0	112.4	L216 I364 L365 L366 Y371 Q372	L216-S368 VanDerWaalsContact CD1-OG 3.29Å; L216-S368 WeakPolarHBondContact CD1-OG 3.36Å; I364-S368 WeakPolarHBondContact O-CB 3.44Å; I364-S368 PolarHBondContact O-N 3.06Å; I364-S368 PolarHBondContact O-OG 3.02Å; L365-S368 PolarHBondContact O-N 3.42Å; L366-S368 VanDerWaalsContact C-N 3.33Å; L366-S368 PolarHBondContact O-N 2.87Å; S368-Y371 PolarHBondContact O-N 3.43Å; S368-Q372 WeakPolarHBondContact O-CG 3.43Å; S368-Q372 PolarHBondContact O-N 2.62Å
369	L	78.2	Confident	81.1	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.026	29%	0.291	C	S	.	.	H	α-helix	trans	-66.5	-45.7	175.2	-177.6	60.5	0	0	0	111.7	M237 V246 H248 L365 L366 Y371 Q372 N373	M237-L369 HydrophobicContact CB-CD2 3.84Å; M237-L369 HydrophobicContact CE-CD2 4.3Å; M237-L369 HydrophobicContact CG-CD2 4.43Å; V246-L369 HydrophobicContact CG2-CD2 4.47Å; H248-L369 VanDerWaalsContact NE2-CD1 3.34Å; H248-L369 WeakPolarHBondContact NE2-CD1 3.29Å; L365-L369 VanDerWaalsContact O-CB 3.28Å; L365-L369 WeakPolarHBondContact O-CB 3.39Å; L365-L369 PolarHBondContact O-N 3.08Å; L366-L369 PolarHBondContact O-N 2.97Å; L369-Y371 VanDerWaalsContact C-N 3.32Å; L369-Y371 PolarHBondContact O-N 2.95Å; L369-Q372 PolarHBondContact O-N 2.89Å; L369-Q372 VanDerWaalsContact O-N 3.17Å; L369-N373 PolarHBondContact O-N 3.48Å
370	A	78.7	Confident	81	Confident	40 Å²	40	60.1 Å²	60.1	33%	0.331	28%	0.282	S	S	.	.	H	α-helix	trans	-59	-44	175.6	0	0	0	0	0	111.5	L366 Q372 N373 E374	L366-A370 WeakPolarHBondContact O-CB 3.47Å; L366-A370 PolarHBondContact O-N 3.47Å; A370-Q372 PolarHBondContact O-N 3.37Å; A370-N373 PolarHBondContact O-N 3.39Å; A370-E374 PolarHBondContact O-N 3.4Å
371	Y	79.5	Confident	81	Confident	133 Å²	133	59.5 Å²	59.5	52%	0.522	29%	0.286	S	S	.	.	H	α-helix	trans	-61.6	-40.3	175.1	175	-108.4	0	0	0	112.8	S367 S368 L369 E374 R375	S367-Y371 WeakPolarHBondContact O-CB 3.37Å; S367-Y371 PolarHBondContact O-N 3.46Å; S368-Y371 PolarHBondContact O-N 3.43Å; L369-Y371 VanDerWaalsContact C-N 3.32Å; L369-Y371 PolarHBondContact O-N 2.95Å; Y371-E374 PolarHBondContact O-N 3.4Å; Y371-R375 HydrophobicContact CE1-CG 4.42Å; Y371-R375 HydrophobicContact CE2-CG 4.23Å; Y371-R375 WeakPolarHBondContact O-CG 3.21Å; Y371-R375 PolarHBondContact O-N 2.78Å; Y371-R375 VanDerWaalsContact O-N 3.07Å; Y371-R375 PolarHBondContact OH-NH1 2.79Å
372	Q	76.5	Confident	81.1	Confident	47 Å²	47	64.3 Å²	64.3	22%	0.22	31%	0.308	C	S	.	.	H	α-helix	trans	-64.4	-44.3	174.9	-79.5	-166.9	-36.3	0	0	112.5	A213 S368 L369 A370 E374 R375 Y376	A213-Q372 HydrophobicContact CB-CG 3.71Å; A213-Q372 VanDerWaalsContact CB-OE1 3.28Å; S368-Q372 WeakPolarHBondContact O-CG 3.43Å; S368-Q372 PolarHBondContact O-N 2.62Å; L369-Q372 PolarHBondContact O-N 2.89Å; L369-Q372 VanDerWaalsContact O-N 3.17Å; A370-Q372 PolarHBondContact O-N 3.37Å; Q372-E374 VanDerWaalsContact C-N 3.33Å; Q372-E374 PolarHBondContact O-N 3.44Å; Q372-R375 PolarHBondContact O-N 2.97Å; Q372-Y376 WeakPolarHBondContact O-CB 3.45Å; Q372-Y376 PolarHBondContact O-N 3.2Å
373	N	76.5	Confident	81.1	Confident	18 Å²	18	68.5 Å²	68.5	10%	0.096	33%	0.331	C	S	.	.	H	α-helix	trans	-59.4	-44.4	176.6	-75.5	-14.2	0	0	0	111.6	N239 L369 A370 R375 Y376 I377	N239-N373 VanDerWaalsContact CG-ND2 3.28Å; N239-N373 PolarHBondContact ND2-ND2 2.77Å; N239-N373 PolarHBondContact OD1-ND2 3.32Å; L369-N373 PolarHBondContact O-N 3.48Å; A370-N373 PolarHBondContact O-N 3.39Å; N373-R375 VanDerWaalsContact C-N 3.35Å; N373-R375 PolarHBondContact O-N 3.45Å; N373-Y376 WeakPolarHBondContact O-CB 3.21Å; N373-Y376 PolarHBondContact O-N 2.85Å; N373-I377 VanDerWaalsContact O-CG1 3.31Å; N373-I377 WeakPolarHBondContact O-CG1 3.47Å; N373-I377 PolarHBondContact O-N 3.19Å
374	E	81.1	Confident	81.4	Confident	119 Å²	119	68.2 Å²	68.2	56%	0.556	33%	0.327	S	S	*	.	H	α-helix	trans	-60.2	-42.8	175.5	-79.9	-65.2	160.5	0	0	112.2	A370 Y371 Q372 Y376 R378	A370-E374 PolarHBondContact O-N 3.4Å; Y371-E374 PolarHBondContact O-N 3.4Å; Q372-E374 VanDerWaalsContact C-N 3.33Å; Q372-E374 PolarHBondContact O-N 3.44Å; E374-Y376 VanDerWaalsContact C-N 3.34Å; E374-Y376 PolarHBondContact O-N 2.89Å; E374-R378 WeakPolarHBondContact O-CB 3.47Å; E374-R378 PolarHBondContact O-N 3.21Å
375	R	80.5	Confident	81.6	Confident	162 Å²	162	70.4 Å²	70.4	61%	0.611	34%	0.339	S	S	*	.	H	α-helix	trans	-64.6	-39.4	175.1	-72	-163.3	72.3	153.9	0.5	112.4	Y371 Q372 N373 G379	Y371-R375 HydrophobicContact CE1-CG 4.42Å; Y371-R375 HydrophobicContact CE2-CG 4.23Å; Y371-R375 WeakPolarHBondContact O-CG 3.21Å; Y371-R375 PolarHBondContact O-N 2.78Å; Y371-R375 VanDerWaalsContact O-N 3.07Å; Y371-R375 PolarHBondContact OH-NH1 2.79Å; Q372-R375 PolarHBondContact O-N 2.97Å; N373-R375 VanDerWaalsContact C-N 3.35Å; N373-R375 PolarHBondContact O-N 3.45Å; R375-G379 PolarHBondContact O-N 2.97Å
376	Y	76	Confident	81.9	Confident	109 Å²	109	76.6 Å²	76.6	43%	0.427	37%	0.366	S	S	.	.	H	α-helix	trans	-64.5	-48.7	177.3	175.9	-98.2	0	0	0	111.5	Q372 N373 E374 R378 G379 R380	Q372-Y376 WeakPolarHBondContact O-CB 3.45Å; Q372-Y376 PolarHBondContact O-N 3.2Å; N373-Y376 WeakPolarHBondContact O-CB 3.21Å; N373-Y376 PolarHBondContact O-N 2.85Å; E374-Y376 VanDerWaalsContact C-N 3.34Å; E374-Y376 PolarHBondContact O-N 2.89Å; Y376-R378 VanDerWaalsContact C-N 3.34Å; Y376-R378 PolarHBondContact O-N 3.29Å; Y376-G379 PolarHBondContact O-N 3.46Å; Y376-R380 VanDerWaalsContact CE1-CD 3.46Å; Y376-R380 HydrophobicContact CE1-CG 4.4Å; Y376-R380 VanDerWaalsContact CZ-CD 3.46Å; Y376-R380 PolarHBondContact O-N 2.75Å; Y376-R380 WeakPolarHBondContact OH-CD 3.23Å; Y376-R380 PolarHBondContact OH-NH1 3.23Å
377	I	78.8	Confident	82.2	Confident	82 Å²	82	75.9 Å²	75.9	42%	0.421	36%	0.362	S	S	.	.	H	α-helix	trans	-61	-43.9	176.3	-68.8	163.5	0	0	0	110.6	N373 R380 T381	N373-I377 VanDerWaalsContact O-CG1 3.31Å; N373-I377 WeakPolarHBondContact O-CG1 3.47Å; N373-I377 PolarHBondContact O-N 3.19Å; I377-R380 PolarHBondContact O-N 2.87Å; I377-T381 WeakPolarHBondContact O-CB 3.31Å; I377-T381 PolarHBondContact O-N 3.36Å; I377-T381 PolarHBondContact O-OG1 3.03Å
378	R	84.1	Confident	82.7	Confident	167 Å²	167	73.9 Å²	73.9	63%	0.63	35%	0.348	S	S	*	.	H	α-helix	trans	-58.8	-48.7	176.4	178.7	179	170.3	175.7	-0.4	111.7	E374 Y376 R380 T381 E382	E374-R378 WeakPolarHBondContact O-CB 3.47Å; E374-R378 PolarHBondContact O-N 3.21Å; Y376-R378 VanDerWaalsContact C-N 3.34Å; Y376-R378 PolarHBondContact O-N 3.29Å; R378-R380 PolarHBondContact O-N 2.8Å; R378-T381 PolarHBondContact O-N 3.09Å; R378-E382 IonicContact CZ-OE1 3.44Å; R378-E382 IonicContact NE-OE1 3.48Å; R378-E382 PolarHBondContact NE-OE1 2.85Å; R378-E382 IonicContact NH2-OE1 2.82Å; R378-E382 PolarHBondContact NH2-OE1 2.91Å; R378-E382 WeakPolarHBondContact O-CG 3.39Å; R378-E382 PolarHBondContact O-N 2.9Å
379	G	83.9	Confident	83.1	Confident	27 Å²	27	81.6 Å²	81.6	28%	0.278	37%	0.374	S	S	.	.	H	α-helix	trans	-58.1	-47.1	177.8	0	0	0	0	0	112	R375 Y376 T381 E382 D383	R375-G379 PolarHBondContact O-N 2.97Å; Y376-G379 PolarHBondContact O-N 3.46Å; G379-T381 VanDerWaalsContact C-N 3.3Å; G379-T381 PolarHBondContact O-N 3.34Å; G379-E382 PolarHBondContact O-N 3.28Å; G379-D383 PolarHBondContact O-N 2.86Å
380	R	81	Confident	83.6	Confident	84 Å²	84	83.4 Å²	83.4	32%	0.317	38%	0.384	S	S	.	.	H	α-helix	trans	-62.1	-37	176.2	-72.7	-171.5	63.4	174.9	-7	113.1	Y376 I377 R378 M384	Y376-R380 VanDerWaalsContact CE1-CD 3.46Å; Y376-R380 HydrophobicContact CE1-CG 4.4Å; Y376-R380 VanDerWaalsContact CZ-CD 3.46Å; Y376-R380 PolarHBondContact O-N 2.75Å; Y376-R380 WeakPolarHBondContact OH-CD 3.23Å; Y376-R380 PolarHBondContact OH-NH1 3.23Å; I377-R380 PolarHBondContact O-N 2.87Å; R378-R380 PolarHBondContact O-N 2.8Å; R380-M384 WeakPolarHBondContact O-CB 3.45Å; R380-M384 PolarHBondContact O-N 3.05Å
381	T	84.4	Confident	84.2	Confident	71 Å²	71	81.5 Å²	81.5	44%	0.436	37%	0.368	S	S	.	.	H	α-helix	trans	-67.6	-42.4	176.8	-55.5	0	0	0	0	110.9	I377 R378 G379 M384 L385	I377-T381 WeakPolarHBondContact O-CB 3.31Å; I377-T381 PolarHBondContact O-N 3.36Å; I377-T381 PolarHBondContact O-OG1 3.03Å; R378-T381 PolarHBondContact O-N 3.09Å; G379-T381 VanDerWaalsContact C-N 3.3Å; G379-T381 PolarHBondContact O-N 3.34Å; T381-M384 PolarHBondContact O-N 3.08Å; T381-L385 HydrophobicContact CG2-CD1 4.18Å; T381-L385 HydrophobicContact CG2-CG 4.48Å; T381-L385 WeakPolarHBondContact O-CB 3.32Å; T381-L385 VanDerWaalsContact O-CG 3.29Å; T381-L385 WeakPolarHBondContact O-CG 3.33Å; T381-L385 PolarHBondContact O-N 3.35Å
382	E	88.8	Confident	84.7	Confident	101 Å²	101	78.7 Å²	78.7	47%	0.472	36%	0.358	S	S	.	.	H	α-helix	trans	-61.7	-43.1	175.5	-73.6	176.2	-174.3	0	0	111.5	R378 G379 L385 K386	R378-E382 IonicContact CZ-OE1 3.44Å; R378-E382 IonicContact NE-OE1 3.48Å; R378-E382 PolarHBondContact NE-OE1 2.85Å; R378-E382 IonicContact NH2-OE1 2.82Å; R378-E382 PolarHBondContact NH2-OE1 2.91Å; R378-E382 WeakPolarHBondContact O-CG 3.39Å; R378-E382 PolarHBondContact O-N 2.9Å; G379-E382 PolarHBondContact O-N 3.28Å; E382-L385 PolarHBondContact O-N 3.42Å; E382-K386 WeakPolarHBondContact O-CB 3.38Å; E382-K386 PolarHBondContact O-N 3.35Å
383	D	85.6	Confident	85.4	Confident	91 Å²	91	80.7 Å²	80.7	49%	0.487	37%	0.374	S	S	.	.	H	α-helix	trans	-62.2	-44.5	173.9	-75.1	-24.6	0	0	0	111.8	G379 L385 K386 V387	G379-D383 PolarHBondContact O-N 2.86Å; D383-L385 PolarHBondContact O-N 3.07Å; D383-K386 WeakPolarHBondContact O-CB 3.39Å; D383-K386 PolarHBondContact O-N 3.45Å; D383-V387 WeakPolarHBondContact O-CG2 3.34Å; D383-V387 PolarHBondContact O-N 2.69Å
384	M	86.3	Confident	85.9	Confident	22 Å²	22	83.4 Å²	83.4	11%	0.108	39%	0.386	C	S	.	.	H	α-helix	trans	-62.6	-42.3	178.3	-154.9	70	-172.4	0	0	112.2	R380 T381 K386 V387 A388 L412 T544 F545 Y548	R380-M384 WeakPolarHBondContact O-CB 3.45Å; R380-M384 PolarHBondContact O-N 3.05Å; T381-M384 PolarHBondContact O-N 3.08Å; M384-K386 VanDerWaalsContact C-N 3.35Å; M384-V387 PolarHBondContact O-N 3.48Å; M384-A388 WeakPolarHBondContact O-CB 3.29Å; M384-A388 PolarHBondContact O-N 3.38Å; M384-L412 HydrophobicContact SD-CD1 4.43Å; M384-T544 VanDerWaalsContact CE-C 3.46Å; M384-T544 HydrophobicContact CE-CG2 3.72Å; M384-T544 HydrophobicContact CG-CG2 4.46Å; M384-T544 HydrophobicContact SD-CG2 4.49Å; M384-F545 HydrophobicContact CE-CB 3.75Å; M384-F545 HydrophobicContact CE-CD2 4.32Å; M384-Y548 HydrophobicContact CE-CD2 3.5Å; M384-Y548 VanDerWaalsContact CE-CD2 3.5Å; M384-Y548 HydrophobicContact CE-CE2 3.49Å; M384-Y548 VanDerWaalsContact CE-CE2 3.49Å; M384-Y548 HydrophobicContact CG-CD2 4.45Å; M384-Y548 HydrophobicContact CG-CE2 3.66Å; M384-Y548 HydrophobicContact SD-CE2 4.44Å
385	L	88.6	Confident	86.1	Confident	106 Å²	106	79.5 Å²	79.5	56%	0.555	37%	0.368	S	S	*	.	H	α-helix	trans	-65.9	-37.6	176.6	-73.5	172.5	0	0	0	111.9	T381 E382 D383 A388 R389	T381-L385 HydrophobicContact CG2-CD1 4.18Å; T381-L385 HydrophobicContact CG2-CG 4.48Å; T381-L385 WeakPolarHBondContact O-CB 3.32Å; T381-L385 VanDerWaalsContact O-CG 3.29Å; T381-L385 WeakPolarHBondContact O-CG 3.33Å; T381-L385 PolarHBondContact O-N 3.35Å; E382-L385 PolarHBondContact O-N 3.42Å; D383-L385 PolarHBondContact O-N 3.07Å; L385-A388 PolarHBondContact O-N 2.65Å; L385-R389 WeakPolarHBondContact O-CB 3.44Å; L385-R389 PolarHBondContact O-N 3.47Å
386	K	89.4	Confident	86.5	Confident	132 Å²	132	78.3 Å²	78.3	57%	0.574	37%	0.371	S	S	*	.	H	α-helix	trans	-63.5	-43.3	175	-172.8	-178	179.7	-177.7	0	111.3	E382 D383 M384 R389 N390	E382-K386 WeakPolarHBondContact O-CB 3.38Å; E382-K386 PolarHBondContact O-N 3.35Å; D383-K386 WeakPolarHBondContact O-CB 3.39Å; D383-K386 PolarHBondContact O-N 3.45Å; M384-K386 VanDerWaalsContact C-N 3.35Å; K386-R389 PolarHBondContact O-N 2.9Å; K386-N390 WeakPolarHBondContact O-CB 3.42Å; K386-N390 VanDerWaalsContact O-CG 3.25Å; K386-N390 PolarHBondContact O-N 3.29Å; K386-N390 PolarHBondContact O-OD1 2.93Å
387	V	88.4	Confident	87.1	Confident	6 Å²	6	76.3 Å²	76.3	4%	0.036	37%	0.368	C	S	.	.	H	α-helix	trans	-63.7	-48	175.7	167.2	0	0	0	0	111.4	D383 M384 R389 N390 I391 E408 L412 F545	D383-V387 WeakPolarHBondContact O-CG2 3.34Å; D383-V387 PolarHBondContact O-N 2.69Å; M384-V387 PolarHBondContact O-N 3.48Å; V387-R389 VanDerWaalsContact C-N 3.31Å; V387-R389 PolarHBondContact O-N 3.29Å; V387-N390 PolarHBondContact O-N 2.8Å; V387-N390 VanDerWaalsContact O-N 3.14Å; V387-I391 HydrophobicContact CG1-CD1 3.8Å; V387-I391 HydrophobicContact CG1-CG1 4.48Å; V387-I391 WeakPolarHBondContact O-CG1 3.36Å; V387-I391 PolarHBondContact O-N 2.99Å; V387-E408 HydrophobicContact CG1-CB 3.8Å; V387-E408 HydrophobicContact CG1-CG 4.15Å; V387-E408 HydrophobicContact CG2-CB 4.2Å; V387-E408 HydrophobicContact CG2-CG 4.39Å; V387-L412 HydrophobicContact CB-CD1 4.28Å; V387-L412 HydrophobicContact CG1-CD1 3.92Å; V387-L412 HydrophobicContact CG2-CD1 3.82Å; V387-L412 HydrophobicContact CG2-CD2 3.96Å; V387-L412 HydrophobicContact CG2-CG 3.84Å; V387-F545 HydrophobicContact CG1-CD2 3.72Å; V387-F545 HydrophobicContact CG1-CE2 3.4Å
388	A	89.1	Confident	87.6	Confident	5 Å²	5	73.1 Å²	73.1	4%	0.041	35%	0.352	C	S	.	.	H	α-helix	trans	-56.8	-46.6	176.6	0	0	0	0	0	111.1	M384 L385 N390 I391 F392 Y548	M384-A388 WeakPolarHBondContact O-CB 3.29Å; M384-A388 PolarHBondContact O-N 3.38Å; L385-A388 PolarHBondContact O-N 2.65Å; A388-N390 PolarHBondContact O-N 3.19Å; A388-I391 PolarHBondContact O-N 2.74Å; A388-F392 HydrophobicContact CB-CD2 4.35Å; A388-F392 HydrophobicContact CB-CE2 3.98Å; A388-F392 WeakPolarHBondContact O-CB 3.28Å; A388-F392 WeakPolarHBondContact O-CD2 3.47Å; A388-F392 WeakPolarHBondContact O-CG 3.24Å; A388-F392 PolarHBondContact O-N 3.06Å; A388-Y548 HydrophobicContact CB-CD1 3.83Å; A388-Y548 HydrophobicContact CB-CE1 3.89Å; A388-Y548 HydrophobicContact CB-CG 4.27Å
389	R	90.1	Very high	87.7	Confident	186 Å²	186	67.8 Å²	67.8	70%	0.702	34%	0.338	S	S	*	.	H	α-helix	trans	-56.4	-48	175	-179.2	-179.1	177.8	-179.7	-0.1	112	L385 K386 V387 I391 F392 T393	L385-R389 WeakPolarHBondContact O-CB 3.44Å; L385-R389 PolarHBondContact O-N 3.47Å; K386-R389 PolarHBondContact O-N 2.9Å; V387-R389 VanDerWaalsContact C-N 3.31Å; V387-R389 PolarHBondContact O-N 3.29Å; R389-I391 VanDerWaalsContact C-N 3.33Å; R389-I391 PolarHBondContact O-N 3.46Å; R389-F392 PolarHBondContact O-N 2.77Å; R389-T393 WeakPolarHBondContact O-CG2 3.29Å; R389-T393 PolarHBondContact O-N 2.84Å; R389-T393 PolarHBondContact O-OG1 3.42Å
390	N	88.2	Confident	87.8	Confident	44 Å²	44	70.1 Å²	70.1	24%	0.235	34%	0.344	C	S	.	.	H	α-helix	trans	-65.2	-34.6	-178.1	-76.7	-4.5	0	0	0	113.1	K386 V387 A388 T393 H394 E408	K386-N390 WeakPolarHBondContact O-CB 3.42Å; K386-N390 VanDerWaalsContact O-CG 3.25Å; K386-N390 PolarHBondContact O-N 3.29Å; K386-N390 PolarHBondContact O-OD1 2.93Å; V387-N390 PolarHBondContact O-N 2.8Å; V387-N390 VanDerWaalsContact O-N 3.14Å; A388-N390 PolarHBondContact O-N 3.19Å; N390-T393 PolarHBondContact O-OG1 2.75Å; N390-H394 PolarHBondContact O-CD2 3.36Å; N390-H394 VanDerWaalsContact O-CD2 3.3Å; N390-E408 HydrophobicContact CB-CG 4.46Å; N390-E408 PolarHBondContact ND2-OE1 3.12Å
391	I	91.3	Very high	88.3	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-75.1	-44.8	177.6	-68.4	174.6	0	0	0	110	V387 A388 R389 T393 H394 L401 I405 E408 F545 S552	V387-I391 HydrophobicContact CG1-CD1 3.8Å; V387-I391 HydrophobicContact CG1-CG1 4.48Å; V387-I391 WeakPolarHBondContact O-CG1 3.36Å; V387-I391 PolarHBondContact O-N 2.99Å; A388-I391 PolarHBondContact O-N 2.74Å; R389-I391 VanDerWaalsContact C-N 3.33Å; R389-I391 PolarHBondContact O-N 3.46Å; I391-T393 PolarHBondContact O-N 2.97Å; I391-H394 PolarHBondContact O-N 3.21Å; I391-H394 VanDerWaalsContact O-N 3.12Å; I391-L401 HydrophobicContact CB-CD1 4.48Å; I391-L401 HydrophobicContact CG2-CD1 3.4Å; I391-L401 VanDerWaalsContact CG2-CD1 3.4Å; I391-L401 WeakPolarHBondContact O-CD1 3.13Å; I391-I405 HydrophobicContact CD1-CG1 3.96Å; I391-I405 HydrophobicContact CG1-CG1 4.18Å; I391-I405 HydrophobicContact CG2-CD1 4.39Å; I391-I405 HydrophobicContact CG2-CG1 3.99Å; I391-E408 HydrophobicContact CG1-CG 4.42Å; I391-F545 HydrophobicContact CD1-CD2 4.38Å; I391-F545 HydrophobicContact CD1-CE2 3.4Å; I391-F545 HydrophobicContact CD1-CZ 3.79Å; I391-S552 WeakPolarHBondContact CG2-OG 3.5Å
392	F	90.5	Very high	88.6	Confident	74 Å²	74	62.9 Å²	62.9	33%	0.325	31%	0.308	S	S	.	.	H	α-helix	trans	-64.9	-24	-177.1	-65.7	-28.3	0	0	0	113.9	A388 R389 H394 M395 Y548 I551 S552	A388-F392 HydrophobicContact CB-CD2 4.35Å; A388-F392 HydrophobicContact CB-CE2 3.98Å; A388-F392 WeakPolarHBondContact O-CB 3.28Å; A388-F392 WeakPolarHBondContact O-CD2 3.47Å; A388-F392 WeakPolarHBondContact O-CG 3.24Å; A388-F392 PolarHBondContact O-N 3.06Å; R389-F392 PolarHBondContact O-N 2.77Å; F392-H394 PolarHBondContact O-N 2.94Å; F392-M395 HydrophobicContact CB-CE 4.09Å; F392-M395 HydrophobicContact CB-SD 4.33Å; F392-M395 HydrophobicContact CD1-CE 4.45Å; F392-M395 HydrophobicContact CD1-SD 3.75Å; F392-M395 HydrophobicContact CG-SD 4.39Å; F392-M395 WeakPolarHBondContact O-CE 3.23Å; F392-M395 WeakPolarHBondContact O-CG 3.48Å; F392-Y548 HydrophobicContact CE2-CD1 4.38Å; F392-Y548 AromaticContact CZ-CD1 3.83Å; F392-Y548 HydrophobicContact CZ-CD1 3.83Å; F392-I551 HydrophobicContact CE1-CG2 4.42Å; F392-S552 VanDerWaalsContact CD1-OG 3.23Å; F392-S552 WeakPolarHBondContact CD1-OG 3.13Å; F392-S552 WeakPolarHBondContact CE1-OG 3.5Å
393	T	90.4	Very high	88.6	Confident	88 Å²	88	59.9 Å²	59.9	54%	0.54	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-17.1	175.4	46.7	0	0	0	0	114.3	R389 N390 I391	R389-T393 WeakPolarHBondContact O-CG2 3.29Å; R389-T393 PolarHBondContact O-N 2.84Å; R389-T393 PolarHBondContact O-OG1 3.42Å; N390-T393 PolarHBondContact O-OG1 2.75Å; I391-T393 PolarHBondContact O-N 2.97Å
394	H	87.3	Confident	88.8	Confident	75 Å²	75	57.2 Å²	57.2	35%	0.347	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	13.7	-176.1	-63.9	-70.7	0	0	0	114.1	N390 I391 F392 M396 D397 N400 L401	N390-H394 PolarHBondContact O-CD2 3.36Å; N390-H394 VanDerWaalsContact O-CD2 3.3Å; I391-H394 PolarHBondContact O-N 3.21Å; I391-H394 VanDerWaalsContact O-N 3.12Å; F392-H394 PolarHBondContact O-N 2.94Å; H394-M396 PolarHBondContact O-N 2.95Å; H394-D397 PolarHBondContact O-N 3.29Å; H394-D397 VanDerWaalsContact O-N 3.1Å; H394-D397 VanDerWaalsContact O-O 3.14Å; H394-N400 HydrophobicContact CB-CB 4.48Å; H394-L401 HydrophobicContact CB-CB 4.45Å
395	M	86.5	Confident	89	Confident	37 Å²	37	56.2 Å²	56.2	18%	0.182	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.9	-174.9	-67	-174.5	-62.2	0	0	114.6	F392 D397 H555 S556	F392-M395 HydrophobicContact CB-CE 4.09Å; F392-M395 HydrophobicContact CB-SD 4.33Å; F392-M395 HydrophobicContact CD1-CE 4.45Å; F392-M395 HydrophobicContact CD1-SD 3.75Å; F392-M395 HydrophobicContact CG-SD 4.39Å; F392-M395 WeakPolarHBondContact O-CE 3.23Å; F392-M395 WeakPolarHBondContact O-CG 3.48Å; M395-D397 VanDerWaalsContact C-N 3.29Å; M395-D397 PolarHBondContact O-N 3.05Å; M395-H555 WeakPolarHBondContact CE-ND1 3.46Å; M395-H555 HydrophobicContact SD-CB 4.27Å; M395-H555 PolarHBondContact SD-ND1 3.4Å; M395-S556 WeakPolarHBondContact O-CA 3.37Å; M395-S556 WeakPolarHBondContact O-CB 3.43Å; M395-S556 PolarHBondContact O-OG 2.62Å
396	M	87.1	Confident	89.1	Confident	137 Å²	137	51.1 Å²	51.1	68%	0.675	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-12.5	178.6	-62.1	-175.1	-65	0	0	114	H394 Y559	H394-M396 PolarHBondContact O-N 2.95Å; M396-Y559 HydrophobicContact CB-CD1 4.47Å; M396-Y559 HydrophobicContact CB-CE1 4.08Å; M396-Y559 HydrophobicContact CG-CE1 4.26Å
397	D	88.6	Confident	89.1	Confident	67 Å²	67	49.4 Å²	49.4	36%	0.358	24%	0.242	S	C	.	.			trans	-136.2	109.2	-179.5	-179.8	-19.4	0	0	0	110.4	H394 M395 T399 N400 L401	H394-D397 PolarHBondContact O-N 3.29Å; H394-D397 VanDerWaalsContact O-N 3.1Å; H394-D397 VanDerWaalsContact O-O 3.14Å; M395-D397 VanDerWaalsContact C-N 3.29Å; M395-D397 PolarHBondContact O-N 3.05Å; D397-T399 VanDerWaalsContact C-N 3.29Å; D397-T399 PolarHBondContact O-N 3.34Å; D397-T399 WeakPolarHBondContact OD1-CB 3.17Å; D397-T399 PolarHBondContact OD1-N 2.83Å; D397-N400 HydrophobicContact CB-CB 4.11Å; D397-N400 PolarHBondContact O-N 3.46Å; D397-N400 PolarHBondContact OD1-N 2.82Å; D397-N400 PolarHBondContact OD2-ND2 2.81Å; D397-L401 VanDerWaalsContact O-CB 3.26Å; D397-L401 WeakPolarHBondContact O-CB 3.28Å; D397-L401 PolarHBondContact O-N 3.28Å
398	L	89.1	Confident	89.2	Confident	16 Å²	16	49.8 Å²	49.8	8%	0.084	24%	0.243	C	C	.	.	H	α-helix	trans	-58.6	-38.4	-177.1	-176.6	65.9	0	0	0	112.8	L401 L402 L422 K433 I553 S556 L557	L398-L401 PolarHBondContact O-N 3.46Å; L398-L402 HydrophobicContact CD1-CD1 4.4Å; L398-L402 HydrophobicContact CD1-CG 4.26Å; L398-L402 HydrophobicContact CG-CD1 4.14Å; L398-L402 HydrophobicContact CG-CG 4.39Å; L398-L402 WeakPolarHBondContact O-CB 3.33Å; L398-L402 VanDerWaalsContact O-CG 3.23Å; L398-L402 WeakPolarHBondContact O-CG 3.34Å; L398-L402 PolarHBondContact O-N 2.98Å; L398-L422 HydrophobicContact CD1-CD1 4.15Å; L398-L422 HydrophobicContact CD2-CD1 4.11Å; L398-K433 HydrophobicContact CD2-CD 4.33Å; L398-I553 HydrophobicContact CD1-CG2 4.45Å; L398-S556 WeakPolarHBondContact CA-OG 2.97Å; L398-S556 PolarHBondContact N-OG 2.59Å; L398-L557 HydrophobicContact CD1-CD2 4.42Å; L398-L557 HydrophobicContact CD1-CG 4.46Å; L398-L557 HydrophobicContact CD2-CD2 3.73Å
399	T	86.7	Confident	89.3	Confident	55 Å²	55	49.6 Å²	49.6	34%	0.337	24%	0.242	S	C	.	.	H	α-helix	trans	-68.8	-47.5	-177	-57.2	0	0	0	0	110.2	D397 L401 L402 L403 V434 P439	D397-T399 VanDerWaalsContact C-N 3.29Å; D397-T399 PolarHBondContact O-N 3.34Å; D397-T399 WeakPolarHBondContact OD1-CB 3.17Å; D397-T399 PolarHBondContact OD1-N 2.83Å; T399-L401 VanDerWaalsContact C-N 3.31Å; T399-L401 PolarHBondContact O-N 2.89Å; T399-L402 PolarHBondContact O-N 3.31Å; T399-L403 HydrophobicContact CG2-CD1 4.45Å; T399-L403 WeakPolarHBondContact O-CG 3.35Å; T399-L403 PolarHBondContact O-N 3.02Å; T399-V434 HydrophobicContact CG2-CG2 4.2Å; T399-P439 HydrophobicContact CG2-CB 4.44Å
400	N	87.1	Confident	89.3	Confident	76 Å²	76	43 Å²	43	41%	0.406	22%	0.219	S	C	.	.	H	α-helix	trans	-64.3	-37.6	176.1	-78.1	-36.5	0	0	0	112	H394 D397 K404	H394-N400 HydrophobicContact CB-CB 4.48Å; D397-N400 HydrophobicContact CB-CB 4.11Å; D397-N400 PolarHBondContact O-N 3.46Å; D397-N400 PolarHBondContact OD1-N 2.82Å; D397-N400 PolarHBondContact OD2-ND2 2.81Å; N400-K404 WeakPolarHBondContact O-CB 3.37Å; N400-K404 PolarHBondContact O-N 2.89Å
401	L	91.6	Very high	89.3	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-49.8	173.9	175.4	63.9	0	0	0	111.9	I391 H394 D397 L398 T399 L403 K404 I405 S552 I553	I391-L401 HydrophobicContact CB-CD1 4.48Å; I391-L401 HydrophobicContact CG2-CD1 3.4Å; I391-L401 VanDerWaalsContact CG2-CD1 3.4Å; I391-L401 WeakPolarHBondContact O-CD1 3.13Å; H394-L401 HydrophobicContact CB-CB 4.45Å; D397-L401 VanDerWaalsContact O-CB 3.26Å; D397-L401 WeakPolarHBondContact O-CB 3.28Å; D397-L401 PolarHBondContact O-N 3.28Å; L398-L401 PolarHBondContact O-N 3.46Å; T399-L401 VanDerWaalsContact C-N 3.31Å; T399-L401 PolarHBondContact O-N 2.89Å; L401-L403 PolarHBondContact O-N 3.38Å; L401-K404 PolarHBondContact O-N 3.29Å; L401-K404 VanDerWaalsContact O-N 3.16Å; L401-I405 HydrophobicContact CD1-CD1 4.03Å; L401-I405 HydrophobicContact CD1-CG1 4.26Å; L401-I405 HydrophobicContact CG-CD1 3.92Å; L401-I405 WeakPolarHBondContact O-CG1 3.5Å; L401-I405 PolarHBondContact O-N 3.41Å; L401-S552 VanDerWaalsContact CD2-O 3.28Å; L401-S552 WeakPolarHBondContact CD2-O 3.18Å; L401-I553 HydrophobicContact CD2-CG1 4.22Å
402	L	90.8	Very high	89.2	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-62.9	-42.8	-179.7	-70.6	175	0	0	0	111.8	L398 T399 K404 I405 M406 V420 L422 K433 V434 I553	L398-L402 HydrophobicContact CD1-CD1 4.4Å; L398-L402 HydrophobicContact CD1-CG 4.26Å; L398-L402 HydrophobicContact CG-CD1 4.14Å; L398-L402 HydrophobicContact CG-CG 4.39Å; L398-L402 WeakPolarHBondContact O-CB 3.33Å; L398-L402 VanDerWaalsContact O-CG 3.23Å; L398-L402 WeakPolarHBondContact O-CG 3.34Å; L398-L402 PolarHBondContact O-N 2.98Å; T399-L402 PolarHBondContact O-N 3.31Å; L402-K404 VanDerWaalsContact C-N 3.27Å; L402-K404 PolarHBondContact O-N 2.83Å; L402-I405 PolarHBondContact O-N 3.33Å; L402-M406 VanDerWaalsContact O-CG 3.24Å; L402-M406 WeakPolarHBondContact O-CG 3.15Å; L402-M406 PolarHBondContact O-N 3.34Å; L402-V420 HydrophobicContact CD2-CB 4.26Å; L402-V420 HydrophobicContact CD2-CG1 3.77Å; L402-L422 HydrophobicContact CD1-CD1 4.17Å; L402-L422 HydrophobicContact CD2-CD1 4.42Å; L402-L422 HydrophobicContact CD2-CD2 4.28Å; L402-K433 HydrophobicContact CD1-CB 4.23Å; L402-V434 HydrophobicContact CB-CB 4.38Å; L402-V434 HydrophobicContact CB-CG2 3.84Å; L402-V434 HydrophobicContact CD1-CG2 4.26Å; L402-I553 HydrophobicContact CD2-CD1 4.21Å; L402-I553 HydrophobicContact CD2-CG1 4.32Å
403	L	88.2	Confident	89.1	Confident	38 Å²	38	43.4 Å²	43.4	20%	0.199	22%	0.224	C	C	.	.	H	α-helix	trans	-55.2	-45.6	172.6	-76.1	167.3	0	0	0	111.4	T399 L401 M406 Q407 V434 G437 P439	T399-L403 HydrophobicContact CG2-CD1 4.45Å; T399-L403 WeakPolarHBondContact O-CG 3.35Å; T399-L403 PolarHBondContact O-N 3.02Å; L401-L403 PolarHBondContact O-N 3.38Å; L403-M406 PolarHBondContact O-N 2.96Å; L403-Q407 WeakPolarHBondContact O-CB 3.36Å; L403-Q407 PolarHBondContact O-N 2.92Å; L403-V434 HydrophobicContact CD2-CG1 3.32Å; L403-V434 HydrophobicContact CG-CG1 3.81Å; L403-V434 HydrophobicContact CG-CG2 4.32Å; L403-G437 VanDerWaalsContact CD2-C 3.41Å; L403-G437 WeakPolarHBondContact CD2-O 3.3Å; L403-P439 HydrophobicContact CD1-CG 4.25Å
404	K	89.5	Confident	89	Confident	36 Å²	36	44.9 Å²	44.9	16%	0.157	22%	0.223	C	C	.	.	H	α-helix	trans	-69.1	-40.7	-179.2	-164.1	67.4	-170.1	151.4	0	112.3	N400 L401 L402 M406 Q407 E408	N400-K404 WeakPolarHBondContact O-CB 3.37Å; N400-K404 PolarHBondContact O-N 2.89Å; L401-K404 PolarHBondContact O-N 3.29Å; L401-K404 VanDerWaalsContact O-N 3.16Å; L402-K404 VanDerWaalsContact C-N 3.27Å; L402-K404 PolarHBondContact O-N 2.83Å; K404-M406 VanDerWaalsContact C-N 3.33Å; K404-M406 PolarHBondContact O-N 3.24Å; K404-Q407 PolarHBondContact O-N 3.23Å; K404-E408 WeakPolarHBondContact CE-OE1 3.14Å; K404-E408 HydrophobicContact CG-CG 4.42Å; K404-E408 IonicContact NZ-OE1 2.67Å; K404-E408 PolarHBondContact NZ-OE1 2.78Å; K404-E408 WeakPolarHBondContact O-CG 3.29Å; K404-E408 PolarHBondContact O-N 2.88Å
405	I	91.6	Very high	89.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-56.6	-49	172.9	-74.2	171	0	0	0	110.2	I391 L401 L402 Q407 E408 A409 V420 F545 C549 I553	I391-I405 HydrophobicContact CD1-CG1 3.96Å; I391-I405 HydrophobicContact CG1-CG1 4.18Å; I391-I405 HydrophobicContact CG2-CD1 4.39Å; I391-I405 HydrophobicContact CG2-CG1 3.99Å; L401-I405 HydrophobicContact CD1-CD1 4.03Å; L401-I405 HydrophobicContact CD1-CG1 4.26Å; L401-I405 HydrophobicContact CG-CD1 3.92Å; L401-I405 WeakPolarHBondContact O-CG1 3.5Å; L401-I405 PolarHBondContact O-N 3.41Å; L402-I405 PolarHBondContact O-N 3.33Å; I405-Q407 VanDerWaalsContact C-N 3.33Å; I405-Q407 PolarHBondContact O-N 3.45Å; I405-E408 PolarHBondContact O-N 2.88Å; I405-A409 VanDerWaalsContact O-CB 3.26Å; I405-A409 WeakPolarHBondContact O-CB 3.42Å; I405-A409 PolarHBondContact O-N 2.75Å; I405-V420 HydrophobicContact CG2-CG2 4.02Å; I405-F545 HydrophobicContact CG2-CE1 3.94Å; I405-F545 HydrophobicContact CG2-CZ 3.94Å; I405-F545 WeakPolarHBondContact O-CZ 3.27Å; I405-C549 HydrophobicContact CD1-CB 4.16Å; I405-C549 VanDerWaalsContact CG2-SG 3.56Å; I405-I553 HydrophobicContact CD1-CD1 3.82Å; I405-I553 HydrophobicContact CD1-CG1 3.78Å
406	M	89.7	Confident	89.4	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.2	-40.4	-179.3	-67.9	160.7	78.8	0	0	112	L402 L403 K404 Q410 C418 V420 V434 D436	L402-M406 VanDerWaalsContact O-CG 3.24Å; L402-M406 WeakPolarHBondContact O-CG 3.15Å; L402-M406 PolarHBondContact O-N 3.34Å; L403-M406 PolarHBondContact O-N 2.96Å; K404-M406 VanDerWaalsContact C-N 3.33Å; K404-M406 PolarHBondContact O-N 3.24Å; M406-Q410 VanDerWaalsContact O-CG 3.27Å; M406-Q410 WeakPolarHBondContact O-CG 3.35Å; M406-Q410 PolarHBondContact O-N 3.37Å; M406-Q410 VanDerWaalsContact O-N 3.1Å; M406-Q410 PolarHBondContact O-NE2 2.97Å; M406-Q410 VanDerWaalsContact O-NE2 3.16Å; M406-C418 HydrophobicContact CB-CB 4.12Å; M406-C418 WeakPolarHBondContact CE-O 2.99Å; M406-C418 HydrophobicContact CG-CB 4.38Å; M406-V420 HydrophobicContact CG-CG2 3.76Å; M406-V434 HydrophobicContact CE-CB 4.4Å; M406-V434 HydrophobicContact CE-CG1 3.92Å; M406-V434 HydrophobicContact SD-CB 3.72Å; M406-V434 HydrophobicContact SD-CG1 3.42Å; M406-V434 WeakPolarHBondContact SD-CG1 3.3Å; M406-D436 VanDerWaalsContact CE-N 3.34Å
407	Q	89	Confident	89.4	Confident	95 Å²	95	40.6 Å²	40.6	44%	0.444	20%	0.199	S	C	.	.	H	α-helix	trans	-64.8	-47.4	176.9	-171.7	-175.1	26.7	0	0	111.7	L403 K404 I405 Q410 N411	L403-Q407 WeakPolarHBondContact O-CB 3.36Å; L403-Q407 PolarHBondContact O-N 2.92Å; K404-Q407 PolarHBondContact O-N 3.23Å; I405-Q407 VanDerWaalsContact C-N 3.33Å; I405-Q407 PolarHBondContact O-N 3.45Å; Q407-Q410 PolarHBondContact O-N 3.17Å; Q407-N411 VanDerWaalsContact O-CG 3.23Å; Q407-N411 PolarHBondContact O-N 3.37Å; Q407-N411 PolarHBondContact O-ND2 2.86Å
408	E	90.7	Very high	89.5	Confident	15 Å²	15	37.4 Å²	37.4	7%	0.07	18%	0.182	C	C	.	.	H	α-helix	trans	-68.6	-36.8	-179.9	-64.4	-56	161.5	0	0	111.9	V387 N390 I391 K404 I405 N411 L412 F545	V387-E408 HydrophobicContact CG1-CB 3.8Å; V387-E408 HydrophobicContact CG1-CG 4.15Å; V387-E408 HydrophobicContact CG2-CB 4.2Å; V387-E408 HydrophobicContact CG2-CG 4.39Å; N390-E408 HydrophobicContact CB-CG 4.46Å; N390-E408 PolarHBondContact ND2-OE1 3.12Å; I391-E408 HydrophobicContact CG1-CG 4.42Å; K404-E408 WeakPolarHBondContact CE-OE1 3.14Å; K404-E408 HydrophobicContact CG-CG 4.42Å; K404-E408 IonicContact NZ-OE1 2.67Å; K404-E408 PolarHBondContact NZ-OE1 2.78Å; K404-E408 WeakPolarHBondContact O-CG 3.29Å; K404-E408 PolarHBondContact O-N 2.88Å; I405-E408 PolarHBondContact O-N 2.88Å; E408-N411 PolarHBondContact O-N 3.43Å; E408-L412 VanDerWaalsContact O-CB 3.29Å; E408-L412 WeakPolarHBondContact O-CB 3.45Å; E408-L412 WeakPolarHBondContact O-CG 3.37Å; E408-L412 PolarHBondContact O-N 3.46Å; E408-F545 HydrophobicContact CB-CE2 4.1Å; E408-F545 HydrophobicContact CB-CZ 4.27Å
409	A	90.5	Very high	89.5	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-60.3	-48.3	174.5	0	0	0	0	0	111.4	I405 N411 L412 T413 L525 F545	I405-A409 VanDerWaalsContact O-CB 3.26Å; I405-A409 WeakPolarHBondContact O-CB 3.42Å; I405-A409 PolarHBondContact O-N 2.75Å; A409-N411 VanDerWaalsContact C-N 3.32Å; A409-N411 PolarHBondContact O-N 3.44Å; A409-L412 PolarHBondContact O-N 2.91Å; A409-T413 PolarHBondContact O-N 3.44Å; A409-T413 PolarHBondContact O-OG1 2.82Å; A409-L525 HydrophobicContact CB-CD2 3.9Å; A409-F545 HydrophobicContact CB-CD1 4.31Å; A409-F545 HydrophobicContact CB-CE1 3.54Å; A409-F545 HydrophobicContact CB-CZ 3.93Å
410	Q	90.3	Very high	89.7	Confident	47 Å²	47	34.8 Å²	34.8	22%	0.22	17%	0.167	C	C	.	.	H	α-helix	trans	-58.2	-43.8	175.8	-74.4	170.4	59.4	0	0	111.8	M406 Q407 K414 A415 C418	M406-Q410 VanDerWaalsContact O-CG 3.27Å; M406-Q410 WeakPolarHBondContact O-CG 3.35Å; M406-Q410 PolarHBondContact O-N 3.37Å; M406-Q410 VanDerWaalsContact O-N 3.1Å; M406-Q410 PolarHBondContact O-NE2 2.97Å; M406-Q410 VanDerWaalsContact O-NE2 3.16Å; Q407-Q410 PolarHBondContact O-N 3.17Å; Q410-K414 CarbonylContact O-C 3.47Å; Q410-K414 WeakPolarHBondContact O-CA 3.4Å; Q410-K414 PolarHBondContact O-N 3.46Å; Q410-A415 PolarHBondContact O-N 3.41Å; Q410-A415 VanDerWaalsContact O-N 3.1Å; Q410-C418 HydrophobicContact CG-CB 3.74Å
411	N	89.2	Confident	90	Very high	83 Å²	83	31.8 Å²	31.8	44%	0.444	15%	0.15	S	C	.	.	H	α-helix	trans	-66.7	-42.6	-179.3	-72.9	-21.7	0	0	0	112.9	Q407 E408 A409 K414	Q407-N411 VanDerWaalsContact O-CG 3.23Å; Q407-N411 PolarHBondContact O-N 3.37Å; Q407-N411 PolarHBondContact O-ND2 2.86Å; E408-N411 PolarHBondContact O-N 3.43Å; A409-N411 VanDerWaalsContact C-N 3.32Å; A409-N411 PolarHBondContact O-N 3.44Å; N411-K414 PolarHBondContact O-NZ 3.27Å
412	L	88.6	Confident	90	Very high	40 Å²	40	32.5 Å²	32.5	21%	0.209	15%	0.154	C	C	.	.	H	α-helix	trans	-68.6	-45.5	-178.4	-83.9	177.1	0	0	0	112.1	M384 V387 E408 A409 V541 F545	M384-L412 HydrophobicContact SD-CD1 4.43Å; V387-L412 HydrophobicContact CB-CD1 4.28Å; V387-L412 HydrophobicContact CG1-CD1 3.92Å; V387-L412 HydrophobicContact CG2-CD1 3.82Å; V387-L412 HydrophobicContact CG2-CD2 3.96Å; V387-L412 HydrophobicContact CG2-CG 3.84Å; E408-L412 VanDerWaalsContact O-CB 3.29Å; E408-L412 WeakPolarHBondContact O-CB 3.45Å; E408-L412 WeakPolarHBondContact O-CG 3.37Å; E408-L412 PolarHBondContact O-N 3.46Å; A409-L412 PolarHBondContact O-N 2.91Å; L412-V541 HydrophobicContact CB-CG1 3.91Å; L412-V541 HydrophobicContact CD1-CG1 4.13Å; L412-V541 HydrophobicContact CD2-CG1 4.38Å; L412-V541 HydrophobicContact CG-CG1 4.39Å; L412-F545 HydrophobicContact CD1-CD2 3.59Å; L412-F545 HydrophobicContact CD1-CE2 4.03Å; L412-F545 HydrophobicContact CD1-CG 4.18Å
413	T	88.8	Confident	90.1	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.018	17%	0.165	C	C	.	.	H	α-helix	trans	-98.2	2.3	-176.4	67.9	0	0	0	0	112.9	A409 A415 L525 K528 V541	A409-T413 PolarHBondContact O-N 3.44Å; A409-T413 PolarHBondContact O-OG1 2.82Å; T413-A415 VanDerWaalsContact C-N 3.27Å; T413-A415 PolarHBondContact O-N 2.89Å; T413-L525 HydrophobicContact CG2-CD1 3.7Å; T413-L525 WeakPolarHBondContact OG1-CD1 3.46Å; T413-K528 WeakPolarHBondContact O-CD 3.42Å; T413-K528 WeakPolarHBondContact O-CE 3.34Å; T413-K528 PolarHBondContact O-NZ 2.89Å; T413-V541 HydrophobicContact CG2-CG1 4.3Å
414	K	88.9	Confident	90.1	Very high	119 Å²	119	35 Å²	35	52%	0.517	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	47.3	-173.3	-53.8	-59.9	-178.3	-163.7	0	112.1	Q410 N411 K528 I529	Q410-K414 CarbonylContact O-C 3.47Å; Q410-K414 WeakPolarHBondContact O-CA 3.4Å; Q410-K414 PolarHBondContact O-N 3.46Å; N411-K414 PolarHBondContact O-NZ 3.27Å; K414-K528 HydrophobicContact CB-CD 4.46Å; K414-I529 HydrophobicContact CB-CB 4.43Å; K414-I529 WeakPolarHBondContact O-CB 3.43Å; K414-I529 WeakPolarHBondContact O-CG1 3.22Å; K414-I529 PolarHBondContact O-N 2.73Å
415	A	91.8	Very high	89.8	Confident	3 Å²	3	37.7 Å²	37.7	3%	0.025	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	148.4	175	0	0	0	0	0	110.7	Q410 T413 L525 F534	Q410-A415 PolarHBondContact O-N 3.41Å; Q410-A415 VanDerWaalsContact O-N 3.1Å; T413-A415 VanDerWaalsContact C-N 3.27Å; T413-A415 PolarHBondContact O-N 2.89Å; A415-L525 HydrophobicContact CB-CB 3.89Å; A415-L525 HydrophobicContact CB-CD2 3.59Å; A415-L525 HydrophobicContact CB-CG 4.28Å; A415-F534 HydrophobicContact CB-CE1 3.89Å; A415-F534 HydrophobicContact CB-CZ 3.79Å
416	E	90	Very high	89.4	Confident	90 Å²	90	46.1 Å²	46.1	42%	0.421	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-35.2	176.5	-166.4	-179.8	174.2	0	0	112	F502 C526 N527 I529	E416-F502 VanDerWaalsContact CD-CE2 3.49Å; E416-F502 HydrophobicContact CG-CE2 4.27Å; E416-F502 WeakPolarHBondContact OE1-CE2 3.23Å; E416-F502 WeakPolarHBondContact OE2-CE2 3.34Å; E416-C526 PolarHBondContact N-O 2.78Å; E416-C526 VanDerWaalsContact N-O 3.11Å; E416-N527 HydrophobicContact CB-CB 3.82Å; E416-N527 PolarHBondContact N-O 3.17Å; E416-N527 VanDerWaalsContact OE2-CB 3.23Å; E416-N527 WeakPolarHBondContact OE2-CB 3.27Å; E416-N527 PolarHBondContact OE2-ND2 3.45Å; E416-I529 HydrophobicContact CB-CG1 4.4Å
417	R	87.8	Confident	89.2	Confident	66 Å²	66	49.5 Å²	49.5	25%	0.249	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	152.8	179.8	-67.2	-177.7	-179.7	-162.5	10.2	111.5	D436 F502 L525 C526	R417-D436 WeakPolarHBondContact CD-OD2 3.2Å; R417-D436 IonicContact CZ-OD2 3.76Å; R417-D436 IonicContact NE-OD2 2.86Å; R417-D436 IonicContact NH1-OD2 3.6Å; R417-D436 PolarHBondContact NH1-OD2 3.34Å; R417-F502 HydrophobicContact CG-CE2 4.25Å; R417-F502 HydrophobicContact CG-CZ 4.04Å; R417-F502 VanDerWaalsContact NE-CD2 3.3Å; R417-F502 VanDerWaalsContact NE-CE2 3.31Å; R417-L525 WeakPolarHBondContact O-CA 3.27Å; R417-C526 HydrophobicContact CB-CB 4.27Å; R417-C526 PolarHBondContact N-O 2.74Å; R417-C526 PolarHBondContact O-N 3.22Å
418	C	89.7	Confident	89.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	142.2	171.3	-175.8	0	0	0	0	109.5	M406 Q410 Q524 L525	M406-C418 HydrophobicContact CB-CB 4.12Å; M406-C418 WeakPolarHBondContact CE-O 2.99Å; M406-C418 HydrophobicContact CG-CB 4.38Å; Q410-C418 HydrophobicContact CG-CB 3.74Å; C418-Q524 CarbonylContact C-O 3.56Å; C418-Q524 VanDerWaalsContact CA-O 3.26Å; C418-Q524 WeakPolarHBondContact CA-O 3.01Å; C418-L525 HydrophobicContact CB-CD2 3.72Å
419	S	88.6	Confident	89.1	Confident	14 Å²	14	50 Å²	50	10%	0.098	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	138.7	171.3	-71.8	0	0	0	0	109.7	A523 Q524	S419-A523 CarbonylContact O-C 3.5Å; S419-A523 WeakPolarHBondContact O-CA 3.38Å; S419-Q524 PolarHBondContact N-O 2.79Å; S419-Q524 PolarHBondContact O-N 2.87Å
420	V	91.9	Very high	89.1	Confident	2 Å²	2	50 Å²	50	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	126.3	175.7	-179.8	0	0	0	0	109	L402 I405 M406 L422 I512 V522 A523	L402-V420 HydrophobicContact CD2-CB 4.26Å; L402-V420 HydrophobicContact CD2-CG1 3.77Å; I405-V420 HydrophobicContact CG2-CG2 4.02Å; M406-V420 HydrophobicContact CG-CG2 3.76Å; V420-L422 HydrophobicContact CG1-CD2 4.14Å; V420-I512 HydrophobicContact CG1-CD1 4.08Å; V420-V522 WeakPolarHBondContact CA-O 3.41Å; V420-A523 HydrophobicContact CG2-CB 4.23Å
421	F	92.1	Very high	89	Confident	13 Å²	13	48.3 Å²	48.3	6%	0.057	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	123.1	177.7	-57.3	-91.7	0	0	0	108.8	L430 A432 L464 A471 G521 V522	F421-L430 HydrophobicContact CB-CB 4.06Å; F421-L430 HydrophobicContact CB-CD2 4.24Å; F421-A432 HydrophobicContact CD1-CB 3.6Å; F421-A432 HydrophobicContact CE1-CB 3.67Å; F421-A432 HydrophobicContact CG-CB 4.41Å; F421-L464 HydrophobicContact CD1-CD1 3.92Å; F421-L464 HydrophobicContact CE1-CD1 3.54Å; F421-L464 HydrophobicContact CE1-CG 4.39Å; F421-L464 HydrophobicContact CZ-CD1 4.02Å; F421-A471 HydrophobicContact CD2-CB 4.12Å; F421-A471 HydrophobicContact CE2-CB 4.32Å; F421-G521 CarbonylContact O-C 3.11Å; F421-G521 WeakPolarHBondContact O-CA 3.31Å; F421-V522 PolarHBondContact N-O 3.43Å; F421-V522 PolarHBondContact O-N 3.24Å
422	L	93.5	Very high	88.7	Confident	16 Å²	16	44.4 Å²	44.4	8%	0.084	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	140.3	174.7	-58.4	-175	0	0	0	109.5	L398 L402 V420 L430 V431 I553	L398-L422 HydrophobicContact CD1-CD1 4.15Å; L398-L422 HydrophobicContact CD2-CD1 4.11Å; L402-L422 HydrophobicContact CD1-CD1 4.17Å; L402-L422 HydrophobicContact CD2-CD1 4.42Å; L402-L422 HydrophobicContact CD2-CD2 4.28Å; V420-L422 HydrophobicContact CG1-CD2 4.14Å; L422-L430 WeakPolarHBondContact O-CA 3.45Å; L422-V431 PolarHBondContact N-O 2.88Å; L422-V431 PolarHBondContact O-N 2.89Å; L422-I553 HydrophobicContact CD1-CG2 4.31Å; L422-I553 HydrophobicContact CD2-CD1 4.03Å; L422-I553 HydrophobicContact CD2-CG2 3.82Å
423	L	91.6	Very high	87.8	Confident	43 Å²	43	45.5 Å²	45.5	23%	0.225	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	121.2	175.6	-178.4	59.6	0	0	0	109.6	L430 L466 I519 V520	L423-L430 HydrophobicContact CB-CD2 4.23Å; L423-L430 HydrophobicContact CD1-CD2 4.23Å; L423-L466 HydrophobicContact CD1-CD1 3.79Å; L423-I519 HydrophobicContact CD2-CB 4.48Å; L423-I519 HydrophobicContact CD2-CG2 4.44Å; L423-I519 WeakPolarHBondContact CD2-O 3.35Å; L423-V520 PolarHBondContact N-O 2.92Å
424	D	89.2	Confident	86.8	Confident	48 Å²	48	45.4 Å²	45.4	26%	0.257	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	104.2	161.9	178.2	0.6	0	0	0	108.3	E426 T427 N428 V429 V431	D424-E426 VanDerWaalsContact C-N 3.26Å; D424-E426 PolarHBondContact O-N 2.8Å; D424-E426 PolarHBondContact OD1-N 2.86Å; D424-T427 WeakPolarHBondContact CB-OG1 3.39Å; D424-T427 PolarHBondContact O-N 2.92Å; D424-T427 WeakPolarHBondContact OD2-CG2 3.33Å; D424-T427 PolarHBondContact OD2-OG1 3.17Å; D424-N428 VanDerWaalsContact O-CA 3.3Å; D424-N428 WeakPolarHBondContact O-CA 3.36Å; D424-N428 PolarHBondContact O-N 2.91Å; D424-V429 PolarHBondContact N-O 3.33Å; D424-V429 PolarHBondContact O-N 2.98Å; D424-V431 HydrophobicContact CB-CG2 4.22Å
425	S	82.8	Confident	85.7	Confident	93 Å²	93	41.7 Å²	41.7	65%	0.65	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-23.3	-178.2	53.8	0	0	0	0	113.6
426	E	83.7	Confident	84.4	Confident	178 Å²	178	44 Å²	44	83%	0.832	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-38.2	179	-64.9	-174.3	177	0	0	110.9	D424	D424-E426 VanDerWaalsContact C-N 3.26Å; D424-E426 PolarHBondContact O-N 2.8Å; D424-E426 PolarHBondContact OD1-N 2.86Å
427	T	85.4	Confident	82.7	Confident	70 Å²	70	41.2 Å²	41.2	43%	0.429	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-9.9	-176.9	64.6	0	0	0	0	113.9	D424 V429	D424-T427 WeakPolarHBondContact CB-OG1 3.39Å; D424-T427 PolarHBondContact O-N 2.92Å; D424-T427 WeakPolarHBondContact OD2-CG2 3.33Å; D424-T427 PolarHBondContact OD2-OG1 3.17Å; T427-V429 VanDerWaalsContact C-N 3.31Å
428	N	86	Confident	81	Confident	94 Å²	94	43 Å²	43	50%	0.503	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	45.2	-171.7	-70.8	-48.7	0	0	0	112.7	D424 L466	D424-N428 VanDerWaalsContact O-CA 3.3Å; D424-N428 WeakPolarHBondContact O-CA 3.36Å; D424-N428 PolarHBondContact O-N 2.91Å; N428-L466 WeakPolarHBondContact O-CB 2.98Å; N428-L466 PolarHBondContact O-N 3.3Å
429	V	90.9	Very high	79.1	Confident	28 Å²	28	46 Å²	46	17%	0.17	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.4	-179.1	176	0	0	0	0	109.7	D424 T427 V431 R463 L464	D424-V429 PolarHBondContact N-O 3.33Å; D424-V429 PolarHBondContact O-N 2.98Å; T427-V429 VanDerWaalsContact C-N 3.31Å; V429-V431 HydrophobicContact CG1-CG2 4.21Å; V429-R463 HydrophobicContact CG1-CB 3.63Å; V429-R463 HydrophobicContact CG1-CG 4.04Å; V429-L464 WeakPolarHBondContact CG1-O 3.35Å
430	L	89.9	Confident	77.4	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	121.1	170.5	-73.6	173.7	0	0	0	109.4	F421 L422 L423 R463 L464 L466 A471 A475	F421-L430 HydrophobicContact CB-CB 4.06Å; F421-L430 HydrophobicContact CB-CD2 4.24Å; L422-L430 WeakPolarHBondContact O-CA 3.45Å; L423-L430 HydrophobicContact CB-CD2 4.23Å; L423-L430 HydrophobicContact CD1-CD2 4.23Å; L430-R463 CarbonylContact O-C 3.41Å; L430-R463 WeakPolarHBondContact O-CA 3.4Å; L430-L464 HydrophobicContact CB-CB 4.18Å; L430-L464 PolarHBondContact N-O 2.89Å; L430-L464 PolarHBondContact O-N 2.93Å; L430-L466 HydrophobicContact CG-CD1 4.42Å; L430-A471 HydrophobicContact CD1-CB 4.1Å; L430-A475 HydrophobicContact CD1-CB 3.93Å; L430-A475 HydrophobicContact CD2-CB 4.08Å; L430-A475 HydrophobicContact CG-CB 4.42Å
431	V	87.9	Confident	75.2	Confident	12 Å²	12	46.1 Å²	46.1	7%	0.073	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121.7	-174.6	-171.5	0	0	0	0	110.4	L422 D424 V429 E461 I462 R463	L422-V431 PolarHBondContact N-O 2.88Å; L422-V431 PolarHBondContact O-N 2.89Å; D424-V431 HydrophobicContact CB-CG2 4.22Å; V429-V431 HydrophobicContact CG1-CG2 4.21Å; V431-E461 HydrophobicContact CG1-CB 4Å; V431-E461 HydrophobicContact CG1-CG 4.24Å; V431-I462 CarbonylContact C-O 3.58Å; V431-I462 WeakPolarHBondContact CA-O 3.27Å; V431-R463 HydrophobicContact CG2-CG 4.31Å
432	A	83.9	Confident	73.1	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	120	168.5	0	0	0	0	0	110.6	F421 I462	F421-A432 HydrophobicContact CD1-CB 3.6Å; F421-A432 HydrophobicContact CE1-CB 3.67Å; F421-A432 HydrophobicContact CG-CB 4.41Å; A432-I462 HydrophobicContact CB-CB 4.33Å; A432-I462 PolarHBondContact N-O 3.41Å; A432-I462 PolarHBondContact O-N 2.85Å
433	K	69.8	Low	70.7	Confident	64 Å²	64	55.3 Å²	55.3	28%	0.278	32%	0.315	S	S	.	.	S	Bend	trans	-94.5	-12.3	172.7	-66	-171.6	173.7	-176.8	0	113.6	L398 L402 T440	L398-K433 HydrophobicContact CD2-CD 4.33Å; L402-K433 HydrophobicContact CD1-CB 4.23Å; K433-T440 VanDerWaalsContact C-OG1 3.28Å; K433-T440 PolarHBondContact O-N 3.11Å; K433-T440 PolarHBondContact O-OG1 3.1Å
434	V	67.5	Low	68.5	Low	1 Å²	1	60.7 Å²	60.7	1%	0.006	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	130.7	-179.5	-173.5	0	0	0	0	106.4	T399 L402 L403 M406 L438	T399-V434 HydrophobicContact CG2-CG2 4.2Å; L402-V434 HydrophobicContact CB-CB 4.38Å; L402-V434 HydrophobicContact CB-CG2 3.84Å; L402-V434 HydrophobicContact CD1-CG2 4.26Å; L403-V434 HydrophobicContact CD2-CG1 3.32Å; L403-V434 HydrophobicContact CG-CG1 3.81Å; L403-V434 HydrophobicContact CG-CG2 4.32Å; M406-V434 HydrophobicContact CE-CB 4.4Å; M406-V434 HydrophobicContact CE-CG1 3.92Å; M406-V434 HydrophobicContact SD-CB 3.72Å; M406-V434 HydrophobicContact SD-CG1 3.42Å; M406-V434 WeakPolarHBondContact SD-CG1 3.3Å; V434-L438 WeakPolarHBondContact CA-O 3.48Å; V434-L438 VanDerWaalsContact CG1-O 3.28Å; V434-L438 WeakPolarHBondContact CG1-O 3.43Å
435	L	66.1	Low	66.4	Low	40 Å²	40	64.5 Å²	64.5	21%	0.209	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	126.7	-177.8	-157	136.8	0	0	0	109.7	G437 L438 T440 I462	L435-G437 PolarHBondContact O-N 2.85Å; L435-G437 VanDerWaalsContact O-N 3.17Å; L435-L438 PolarHBondContact N-O 3.47Å; L435-L438 PolarHBondContact O-N 3.46Å; L435-T440 HydrophobicContact CB-CG2 4.42Å; L435-I462 HydrophobicContact CD1-CD1 3.22Å; L435-I462 HydrophobicContact CD1-CG1 3.95Å
436	D	63.8	Low	64.8	Low	52 Å²	52	63 Å²	63	28%	0.278	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	36.9	-177.1	-66.1	-19.4	0	0	0	114.8	M406 R417 L438	M406-D436 VanDerWaalsContact CE-N 3.34Å; R417-D436 WeakPolarHBondContact CD-OD2 3.2Å; R417-D436 IonicContact CZ-OD2 3.76Å; R417-D436 IonicContact NE-OD2 2.86Å; R417-D436 IonicContact NH1-OD2 3.6Å; R417-D436 PolarHBondContact NH1-OD2 3.34Å; D436-L438 PolarHBondContact O-N 2.89Å
437	G	54.6	Low	63.1	Low	32 Å²	32	63 Å²	63	33%	0.33	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	8.8	179.9	0	0	0	0	0	114.1	L403 L435	L403-G437 VanDerWaalsContact CD2-C 3.41Å; L403-G437 WeakPolarHBondContact CD2-O 3.3Å; L435-G437 PolarHBondContact O-N 2.85Å; L435-G437 VanDerWaalsContact O-N 3.17Å
438	L	52.7	Low	61.4	Low	104 Å²	104	63.8 Å²	63.8	55%	0.545	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.9	171.2	-65.7	165.2	0	0	0	108.7	V434 L435 D436 T440	V434-L438 WeakPolarHBondContact CA-O 3.48Å; V434-L438 VanDerWaalsContact CG1-O 3.28Å; V434-L438 WeakPolarHBondContact CG1-O 3.43Å; L435-L438 PolarHBondContact N-O 3.47Å; L435-L438 PolarHBondContact O-N 3.46Å; D436-L438 PolarHBondContact O-N 2.89Å; L438-T440 PolarHBondContact O-N 3.26Å
439	P	50	Low	59.5	Low	62 Å²	62	63.7 Å²	63.7	40%	0.403	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	136.1	168	-17.5	27.2	0	0	0	109.1	T399 L403	T399-P439 HydrophobicContact CG2-CB 4.44Å; L403-P439 HydrophobicContact CD1-CG 4.25Å
440	T	52.6	Low	57.5	Low	16 Å²	16	63.6 Å²	63.6	10%	0.098	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-61.2	145.7	164.3	54.2	0	0	0	0	108	K433 L435 L438 E460	K433-T440 VanDerWaalsContact C-OG1 3.28Å; K433-T440 PolarHBondContact O-N 3.11Å; K433-T440 PolarHBondContact O-OG1 3.1Å; L435-T440 HydrophobicContact CB-CG2 4.42Å; L438-T440 PolarHBondContact O-N 3.26Å; T440-E460 WeakPolarHBondContact CB-O 3.47Å; T440-E460 PolarHBondContact OG1-O 3.38Å
441	A	46.4	Very low	55.3	Low	3 Å²	3	69.2 Å²	69.2	3%	0.025	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-48.5	126.5	-164.5	0	0	0	0	0	112.5	N443 T446 L458 E460	A441-N443 VanDerWaalsContact CB-O 3.29Å; A441-N443 WeakPolarHBondContact CB-O 3.39Å; A441-N443 PolarHBondContact O-N 3.09Å; A441-N443 VanDerWaalsContact O-N 3.15Å; A441-T446 VanDerWaalsContact CB-CB 3.41Å; A441-T446 WeakPolarHBondContact CB-OG1 3.33Å; A441-L458 HydrophobicContact CB-CB 4.44Å; A441-E460 WeakPolarHBondContact O-CG 3.19Å
442	P	47.3	Very low	53.8	Low	104 Å²	104	74.7 Å²	74.7	68%	0.675	41%	0.411	S	S	*	.	S	Bend	trans	-66	-16.8	176.6	24.6	-32.5	0	0	0	112.8
443	N	42.9	Very low	52.2	Low	118 Å²	118	77.1 Å²	77.1	63%	0.631	44%	0.437	S	S	*	.	S	Bend	trans	-135.8	143.2	175.4	-69.8	-37.6	0	0	0	108.6	A441 N445 T446	A441-N443 VanDerWaalsContact CB-O 3.29Å; A441-N443 WeakPolarHBondContact CB-O 3.39Å; A441-N443 PolarHBondContact O-N 3.09Å; A441-N443 VanDerWaalsContact O-N 3.15Å; N443-N445 PolarHBondContact O-N 3.25Å; N443-T446 PolarHBondContact O-N 3.12Å; N443-T446 PolarHBondContact O-OG1 3.48Å
444	K	45.1	Very low	51.3	Low	156 Å²	156	80.1 Å²	80.1	68%	0.678	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40.4	-10.1	176.3	-74.6	-176.3	174.3	176.1	0	118.9	E460	K444-E460 WeakPolarHBondContact CG-OE1 3.26Å; K444-E460 PolarHBondContact N-OE1 3.3Å
445	N	46	Very low	50.7	Low	127 Å²	127	85 Å²	85	68%	0.679	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.4	13.4	-169.7	-63.9	-18.5	0	0	0	114.9	N443 R447	N443-N445 PolarHBondContact O-N 3.25Å; N445-R447 PolarHBondContact O-N 3.33Å
446	T	47.8	Very low	50.1	Low	62 Å²	62	85.2 Å²	85.2	38%	0.38	48%	0.478	S	S	.	.			trans	-67.2	113.4	177.2	-52	0	0	0	0	110	A441 N443 L458	A441-T446 VanDerWaalsContact CB-CB 3.41Å; A441-T446 WeakPolarHBondContact CB-OG1 3.33Å; N443-T446 PolarHBondContact O-N 3.12Å; N443-T446 PolarHBondContact O-OG1 3.48Å; T446-L458 PolarHBondContact O-N 3.14Å
447	R	48.7	Very low	49.6	Very low	178 Å²	178	85.5 Å²	85.5	67%	0.672	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.1	-174.6	-82.3	173.1	162.3	-178.4	-3.6	109.7	N445 I455 V456 T457	N445-R447 PolarHBondContact O-N 3.33Å; R447-I455 HydrophobicContact CB-CG2 3.73Å; R447-I455 HydrophobicContact CG-CG2 3.7Å; R447-V456 WeakPolarHBondContact CA-O 3.45Å; R447-T457 HydrophobicContact CG-CG2 4.18Å; R447-T457 WeakPolarHBondContact CG-OG1 3.39Å
448	F	50.2	Low	49.4	Very low	87 Å²	87	85.6 Å²	85.6	38%	0.382	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	151	168.4	70.3	-96.3	0	0	0	110.5	T450 I455 V456 L458	F448-T450 HydrophobicContact CE2-CG2 4Å; F448-I455 WeakPolarHBondContact O-CA 3.4Å; F448-V456 HydrophobicContact CE1-CB 4.41Å; F448-V456 HydrophobicContact CE1-CG1 4.47Å; F448-V456 HydrophobicContact CE2-CB 4.35Å; F448-V456 HydrophobicContact CZ-CB 4.14Å; F448-V456 HydrophobicContact CZ-CG1 4.3Å; F448-V456 PolarHBondContact N-O 2.96Å; F448-V456 PolarHBondContact O-N 2.86Å; F448-L458 HydrophobicContact CD1-CD1 3.87Å; F448-L458 HydrophobicContact CD1-CG 4.02Å; F448-L458 HydrophobicContact CE1-CD1 3.6Å; F448-L458 HydrophobicContact CE1-CD2 3.81Å; F448-L458 HydrophobicContact CE1-CG 3.5Å
449	T	45.8	Very low	49.4	Very low	91 Å²	91	84 Å²	84	56%	0.558	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	120.8	-179.9	-46.4	0	0	0	0	108.4	G453 K454	T449-G453 VanDerWaalsContact CG2-C 3.41Å; T449-K454 CarbonylContact C-O 3.56Å; T449-K454 WeakPolarHBondContact CA-O 3.39Å
450	T	48.2	Very low	49.8	Very low	26 Å²	26	85.1 Å²	85.1	16%	0.16	47%	0.47	C	S	.	.			trans	-66.4	166.8	173.9	60.5	0	0	0	0	110.9	F448 D452 G453 K454 V456	F448-T450 HydrophobicContact CE2-CG2 4Å; T450-D452 WeakPolarHBondContact CB-OD1 3.2Å; T450-D452 PolarHBondContact O-N 3.06Å; T450-D452 VanDerWaalsContact O-N 3.11Å; T450-D452 VanDerWaalsContact OG1-CG 3.28Å; T450-D452 PolarHBondContact OG1-OD1 3.1Å; T450-G453 PolarHBondContact O-N 3.45Å; T450-K454 PolarHBondContact N-O 3Å; T450-K454 WeakPolarHBondContact OG1-CA 3.37Å; T450-K454 WeakPolarHBondContact OG1-CB 3.23Å; T450-K454 PolarHBondContact OG1-N 3.41Å; T450-K454 VanDerWaalsContact OG1-N 3.09Å; T450-K454 PolarHBondContact OG1-O 3.29Å; T450-V456 HydrophobicContact CG2-CG2 3.67Å
451	A	45.2	Very low	50.5	Low	118 Å²	118	87.4 Å²	87.4	98%	0.975	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.9	-178.3	0	0	0	0	0	113.6	G453	A451-G453 VanDerWaalsContact C-N 3.34Å
452	D	54.4	Low	51.7	Low	127 Å²	127	89.8 Å²	89.8	68%	0.679	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	7.5	175.1	53.4	-44.8	0	0	0	113.8	T450	T450-D452 WeakPolarHBondContact CB-OD1 3.2Å; T450-D452 PolarHBondContact O-N 3.06Å; T450-D452 VanDerWaalsContact O-N 3.11Å; T450-D452 VanDerWaalsContact OG1-CG 3.28Å; T450-D452 PolarHBondContact OG1-OD1 3.1Å
453	G	51.2	Low	53.3	Low	52 Å²	52	91.8 Å²	91.8	54%	0.536	49%	0.485	S	S	.	.	S	Bend	trans	85.6	7.9	174.6	0	0	0	0	0	115	T449 T450 A451	T449-G453 VanDerWaalsContact CG2-C 3.41Å; T450-G453 PolarHBondContact O-N 3.45Å; A451-G453 VanDerWaalsContact C-N 3.34Å
454	K	51.3	Low	55.1	Low	126 Å²	126	88.1 Å²	88.1	55%	0.548	47%	0.466	S	S	.	.			trans	-86.6	124.7	-175.7	-156.4	-179.8	-179.1	-176.2	0	110.6	T449 T450 V456	T449-K454 CarbonylContact C-O 3.56Å; T449-K454 WeakPolarHBondContact CA-O 3.39Å; T450-K454 PolarHBondContact N-O 3Å; T450-K454 WeakPolarHBondContact OG1-CA 3.37Å; T450-K454 WeakPolarHBondContact OG1-CB 3.23Å; T450-K454 PolarHBondContact OG1-N 3.41Å; T450-K454 VanDerWaalsContact OG1-N 3.09Å; T450-K454 PolarHBondContact OG1-O 3.29Å; K454-V456 PolarHBondContact O-N 3.46Å
455	I	54.1	Low	56.9	Low	104 Å²	104	84 Å²	84	53%	0.533	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	111.6	176.6	-60.8	175.1	0	0	0	109	R447 F448	R447-I455 HydrophobicContact CB-CG2 3.73Å; R447-I455 HydrophobicContact CG-CG2 3.7Å; F448-I455 WeakPolarHBondContact O-CA 3.4Å
456	V	53.9	Low	58.7	Low	45 Å²	45	79.7 Å²	79.7	27%	0.273	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	131.8	176.8	-178	0	0	0	0	108.7	R447 F448 T450 K454	R447-V456 WeakPolarHBondContact CA-O 3.45Å; F448-V456 HydrophobicContact CE1-CB 4.41Å; F448-V456 HydrophobicContact CE1-CG1 4.47Å; F448-V456 HydrophobicContact CE2-CB 4.35Å; F448-V456 HydrophobicContact CZ-CB 4.14Å; F448-V456 HydrophobicContact CZ-CG1 4.3Å; F448-V456 PolarHBondContact N-O 2.96Å; F448-V456 PolarHBondContact O-N 2.86Å; T450-V456 HydrophobicContact CG2-CG2 3.67Å; K454-V456 PolarHBondContact O-N 3.46Å
457	T	53.7	Low	60.3	Low	57 Å²	57	83.1 Å²	83.1	35%	0.35	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	119	175.1	-44.2	0	0	0	0	107.3	R447	R447-T457 HydrophobicContact CG-CG2 4.18Å; R447-T457 WeakPolarHBondContact CG-OG1 3.39Å
458	L	50.6	Low	61.9	Low	35 Å²	35	79.1 Å²	79.1	18%	0.183	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-74.5	137	177.7	-75.6	165.7	0	0	0	110.1	A441 T446 F448	A441-L458 HydrophobicContact CB-CB 4.44Å; T446-L458 PolarHBondContact O-N 3.14Å; F448-L458 HydrophobicContact CD1-CD1 3.87Å; F448-L458 HydrophobicContact CD1-CG 4.02Å; F448-L458 HydrophobicContact CE1-CD1 3.6Å; F448-L458 HydrophobicContact CE1-CD2 3.81Å; F448-L458 HydrophobicContact CE1-CG 3.5Å
459	P	52.7	Low	63.7	Low	69 Å²	69	76 Å²	76	45%	0.448	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-62.3	149.3	165.8	26.6	-31.7	0	0	0	110.7	E461 I462	P459-E461 PolarHBondContact O-N 2.73Å; P459-I462 HydrophobicContact CG-CD1 4.45Å; P459-I462 HydrophobicContact CG-CG1 3.97Å
460	E	56.8	Low	66	Low	87 Å²	87	72.1 Å²	72.1	41%	0.407	41%	0.407	S	S	.	.	S	Bend	trans	-58.4	-34.1	177.3	-115.9	168	-162.3	0	0	112	T440 A441 K444	T440-E460 WeakPolarHBondContact CB-O 3.47Å; T440-E460 PolarHBondContact OG1-O 3.38Å; A441-E460 WeakPolarHBondContact O-CG 3.19Å; K444-E460 WeakPolarHBondContact CG-OE1 3.26Å; K444-E460 PolarHBondContact N-OE1 3.3Å
461	E	68.2	Low	68.1	Low	64 Å²	64	71.1 Å²	71.1	30%	0.299	40%	0.401	S	S	.	.	S	Bend	trans	-151	143.1	176	-63	-176.8	151.8	0	0	108.7	V431 P459 R463	V431-E461 HydrophobicContact CG1-CB 4Å; V431-E461 HydrophobicContact CG1-CG 4.24Å; P459-E461 PolarHBondContact O-N 2.73Å; E461-R463 IonicContact OE2-CZ 3.53Å; E461-R463 IonicContact OE2-NE 3.25Å; E461-R463 PolarHBondContact OE2-NE 2.99Å; E461-R463 IonicContact OE2-NH2 3.28Å; E461-R463 PolarHBondContact OE2-NH2 3.43Å
462	I	72.4	Confident	70.3	Confident	52 Å²	52	65.5 Å²	65.5	27%	0.267	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	126.9	167.6	-59.2	-159.3	0	0	0	108.9	V431 A432 L435 P459 L464	V431-I462 CarbonylContact C-O 3.58Å; V431-I462 WeakPolarHBondContact CA-O 3.27Å; A432-I462 HydrophobicContact CB-CB 4.33Å; A432-I462 PolarHBondContact N-O 3.41Å; A432-I462 PolarHBondContact O-N 2.85Å; L435-I462 HydrophobicContact CD1-CD1 3.22Å; L435-I462 HydrophobicContact CD1-CG1 3.95Å; P459-I462 HydrophobicContact CG-CD1 4.45Å; P459-I462 HydrophobicContact CG-CG1 3.97Å; I462-L464 HydrophobicContact CG2-CD2 4.44Å; I462-L464 HydrophobicContact CG2-CG 4.35Å
463	R	79.3	Confident	72.1	Confident	147 Å²	147	64.6 Å²	64.6	56%	0.555	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.4	119.7	-179.2	-69.1	-170.4	179.6	-156.6	-3	110.1	V429 L430 V431 E461	V429-R463 HydrophobicContact CG1-CB 3.63Å; V429-R463 HydrophobicContact CG1-CG 4.04Å; L430-R463 CarbonylContact O-C 3.41Å; L430-R463 WeakPolarHBondContact O-CA 3.4Å; V431-R463 HydrophobicContact CG2-CG 4.31Å; E461-R463 IonicContact OE2-CZ 3.53Å; E461-R463 IonicContact OE2-NE 3.25Å; E461-R463 PolarHBondContact OE2-NE 2.99Å; E461-R463 IonicContact OE2-NH2 3.28Å; E461-R463 PolarHBondContact OE2-NH2 3.43Å
464	L	82.5	Confident	74.2	Confident	41 Å²	41	62.1 Å²	62.1	22%	0.215	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	136.8	176.4	-60.5	172.3	0	0	0	109	F421 V429 L430 I462	F421-L464 HydrophobicContact CD1-CD1 3.92Å; F421-L464 HydrophobicContact CE1-CD1 3.54Å; F421-L464 HydrophobicContact CE1-CG 4.39Å; F421-L464 HydrophobicContact CZ-CD1 4.02Å; V429-L464 WeakPolarHBondContact CG1-O 3.35Å; L430-L464 HydrophobicContact CB-CB 4.18Å; L430-L464 PolarHBondContact N-O 2.89Å; L430-L464 PolarHBondContact O-N 2.93Å; I462-L464 HydrophobicContact CG2-CD2 4.44Å; I462-L464 HydrophobicContact CG2-CG 4.35Å
465	S	82.5	Confident	76.2	Confident	70 Å²	70	56.4 Å²	56.4	49%	0.49	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	146.8	172.7	-59.4	0	0	0	0	109.8	N467 Q468	S465-N467 PolarHBondContact O-N 3.49Å; S465-Q468 VanDerWaalsContact O-CB 3.27Å; S465-Q468 WeakPolarHBondContact O-CB 3.13Å; S465-Q468 PolarHBondContact O-N 3.29Å
466	L	83.7	Confident	78	Confident	36 Å²	36	55.3 Å²	55.3	19%	0.188	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-27.7	-176.9	-172.9	63.5	0	0	0	114	L423 N428 L430 G472 A475 T476	L423-L466 HydrophobicContact CD1-CD1 3.79Å; N428-L466 WeakPolarHBondContact O-CB 2.98Å; N428-L466 PolarHBondContact O-N 3.3Å; L430-L466 HydrophobicContact CG-CD1 4.42Å; L466-G472 CarbonylContact O-C 3.49Å; L466-G472 WeakPolarHBondContact O-CA 3.16Å; L466-A475 HydrophobicContact CD1-CB 3.58Å; L466-T476 PolarHBondContact O-OG1 3.41Å
467	N	80.4	Confident	79.9	Confident	133 Å²	133	56 Å²	56	71%	0.711	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	11.2	-178	-57.9	-15.8	0	0	0	113.3	S465	S465-N467 PolarHBondContact O-N 3.49Å
468	Q	82.8	Confident	81.7	Confident	94 Å²	94	54 Å²	54	44%	0.439	29%	0.286	S	S	.	.	S	Bend	trans	-102.6	122.4	-170	-170.6	177.5	-4.8	0	0	112.2	S465 G472	S465-Q468 VanDerWaalsContact O-CB 3.27Å; S465-Q468 WeakPolarHBondContact O-CB 3.13Å; S465-Q468 PolarHBondContact O-N 3.29Å; Q468-G472 PolarHBondContact O-N 2.91Å
469	G	88.6	Confident	83.7	Confident	23 Å²	23	58.4 Å²	58.4	24%	0.237	31%	0.306	C	S	.	.	H	α-helix	trans	65.9	-160.5	172.3	0	0	0	0	0	113.9	Y473 L491	G469-Y473 PolarHBondContact O-N 3.1Å; G469-Y473 VanDerWaalsContact O-N 3.1Å; G469-L491 WeakPolarHBondContact CA-O 3.45Å
470	I	93.2	Very high	85.8	Confident	9 Å²	9	56.8 Å²	56.8	5%	0.046	29%	0.293	C	S	.	.	H	α-helix	trans	-67.8	-49	-175.1	-66.5	159.8	0	0	0	111.6	G472 Y473 V474 L481 I483 L491 F492 I507 C509	I470-G472 VanDerWaalsContact C-N 3.29Å; I470-G472 PolarHBondContact O-N 3.28Å; I470-Y473 PolarHBondContact O-N 3.22Å; I470-V474 PolarHBondContact O-N 3.4Å; I470-L481 HydrophobicContact CG2-CD2 4.17Å; I470-I483 HydrophobicContact CD1-CD1 3.44Å; I470-I483 VanDerWaalsContact CD1-CD1 3.44Å; I470-I483 HydrophobicContact CG1-CD1 3.76Å; I470-I483 HydrophobicContact CG2-CD1 4.23Å; I470-L491 HydrophobicContact CG1-CB 3.93Å; I470-F492 HydrophobicContact CD1-CB 4.2Å; I470-F492 HydrophobicContact CD1-CD2 4.02Å; I470-I507 HydrophobicContact CD1-CD1 3.39Å; I470-I507 HydrophobicContact CG2-CG2 4.42Å; I470-C509 HydrophobicContact CG2-CB 3.65Å
471	A	91.7	Very high	87.6	Confident	4 Å²	4	54.2 Å²	54.2	3%	0.033	28%	0.282	C	S	.	.	H	α-helix	trans	-60.2	-40.7	179.7	0	0	0	0	0	111.8	F421 L430 V474 A475 V522	F421-A471 HydrophobicContact CD2-CB 4.12Å; F421-A471 HydrophobicContact CE2-CB 4.32Å; L430-A471 HydrophobicContact CD1-CB 4.1Å; A471-V474 PolarHBondContact O-N 2.9Å; A471-A475 WeakPolarHBondContact O-CB 3.37Å; A471-A475 PolarHBondContact O-N 3.45Å; A471-V522 HydrophobicContact CB-CG1 4.31Å
472	G	91.6	Very high	88.9	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.8	-44.4	175.5	0	0	0	0	0	113.6	L466 Q468 I470 V474 A475 T476	L466-G472 CarbonylContact O-C 3.49Å; L466-G472 WeakPolarHBondContact O-CA 3.16Å; Q468-G472 PolarHBondContact O-N 2.91Å; I470-G472 VanDerWaalsContact C-N 3.29Å; I470-G472 PolarHBondContact O-N 3.28Å; G472-V474 PolarHBondContact O-N 2.76Å; G472-A475 PolarHBondContact O-N 2.89Å; G472-T476 WeakPolarHBondContact O-CB 3.46Å; G472-T476 PolarHBondContact O-N 3.26Å; G472-T476 PolarHBondContact O-OG1 3.43Å
473	Y	93.9	Very high	90	Very high	108 Å²	108	50.7 Å²	50.7	42%	0.424	27%	0.266	S	S	.	.	H	α-helix	trans	-58.7	-45.8	175.3	178.2	-90.4	0	0	0	112.4	G469 I470 T476 T477 L481 L491	G469-Y473 PolarHBondContact O-N 3.1Å; G469-Y473 VanDerWaalsContact O-N 3.1Å; I470-Y473 PolarHBondContact O-N 3.22Å; Y473-T476 PolarHBondContact O-N 2.87Å; Y473-T477 HydrophobicContact CD1-CG2 4.36Å; Y473-T477 HydrophobicContact CD2-CG2 4.18Å; Y473-T477 HydrophobicContact CE1-CG2 4Å; Y473-T477 HydrophobicContact CE2-CG2 3.8Å; Y473-T477 HydrophobicContact CG-CG2 4.45Å; Y473-T477 WeakPolarHBondContact O-CB 3.41Å; Y473-T477 WeakPolarHBondContact O-CG2 3.4Å; Y473-T477 PolarHBondContact O-N 3.36Å; Y473-T477 PolarHBondContact O-OG1 2.83Å; Y473-L481 HydrophobicContact CD1-CD2 4.21Å; Y473-L491 HydrophobicContact CD1-CD1 4.35Å; Y473-L491 HydrophobicContact CD2-CD1 3.87Å; Y473-L491 HydrophobicContact CG-CD1 3.67Å
474	V	95.1	Very high	90.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.9	-40.2	177.3	172.3	0	0	0	0	111.3	I470 A471 G472 T476 G478 E479 L481 C509 P511 V522	I470-V474 PolarHBondContact O-N 3.4Å; A471-V474 PolarHBondContact O-N 2.9Å; G472-V474 PolarHBondContact O-N 2.76Å; V474-T476 VanDerWaalsContact C-N 3.28Å; V474-T476 PolarHBondContact O-N 3.03Å; V474-G478 WeakPolarHBondContact O-CA 3.4Å; V474-G478 PolarHBondContact O-N 3.11Å; V474-E479 WeakPolarHBondContact CG1-O 3.32Å; V474-L481 HydrophobicContact CG2-CB 3.88Å; V474-C509 HydrophobicContact CG2-CB 4Å; V474-P511 HydrophobicContact CG1-CB 3.99Å; V474-P511 HydrophobicContact CG1-CG 4.31Å; V474-V522 HydrophobicContact CB-CG1 4.1Å; V474-V522 HydrophobicContact CB-CG2 4.47Å; V474-V522 HydrophobicContact CG1-CG1 3.84Å; V474-V522 HydrophobicContact CG1-CG2 4.15Å
475	A	92.8	Very high	90.9	Very high	7 Å²	7	51.7 Å²	51.7	6%	0.058	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-33.6	175.4	0	0	0	0	0	112.7	L430 L466 A471 G472 I519 V522	L430-A475 HydrophobicContact CD1-CB 3.93Å; L430-A475 HydrophobicContact CD2-CB 4.08Å; L430-A475 HydrophobicContact CG-CB 4.42Å; L466-A475 HydrophobicContact CD1-CB 3.58Å; A471-A475 WeakPolarHBondContact O-CB 3.37Å; A471-A475 PolarHBondContact O-N 3.45Å; G472-A475 PolarHBondContact O-N 2.89Å; A475-I519 HydrophobicContact CB-CG2 4.3Å; A475-I519 WeakPolarHBondContact O-CG1 3.43Å; A475-V522 HydrophobicContact CB-CG2 3.62Å
476	T	91.8	Very high	91.3	Very high	80 Å²	80	48.4 Å²	48.4	49%	0.491	25%	0.253	S	S	.	.	H	α-helix	trans	-83.4	-39.9	-177.2	-51.3	0	0	0	0	112	L466 G472 Y473 V474	L466-T476 PolarHBondContact O-OG1 3.41Å; G472-T476 WeakPolarHBondContact O-CB 3.46Å; G472-T476 PolarHBondContact O-N 3.26Å; G472-T476 PolarHBondContact O-OG1 3.43Å; Y473-T476 PolarHBondContact O-N 2.87Å; V474-T476 VanDerWaalsContact C-N 3.28Å; V474-T476 PolarHBondContact O-N 3.03Å
477	T	92.6	Very high	91.7	Very high	59 Å²	59	49.8 Å²	49.8	36%	0.362	26%	0.257	S	S	.	.	H	α-helix	trans	-85.7	-29.4	-177.9	57.1	0	0	0	0	113	Y473 E479	Y473-T477 HydrophobicContact CD1-CG2 4.36Å; Y473-T477 HydrophobicContact CD2-CG2 4.18Å; Y473-T477 HydrophobicContact CE1-CG2 4Å; Y473-T477 HydrophobicContact CE2-CG2 3.8Å; Y473-T477 HydrophobicContact CG-CG2 4.45Å; Y473-T477 WeakPolarHBondContact O-CB 3.41Å; Y473-T477 WeakPolarHBondContact O-CG2 3.4Å; Y473-T477 PolarHBondContact O-N 3.36Å; Y473-T477 PolarHBondContact O-OG1 2.83Å; T477-E479 PolarHBondContact O-N 2.8Å; T477-E479 PolarHBondContact OG1-N 2.71Å
478	G	92.3	Very high	92.2	Very high	15 Å²	15	47 Å²	47	16%	0.155	25%	0.252	C	S	.	.			trans	70.8	15.4	-171	0	0	0	0	0	113.9	V474 P511	V474-G478 WeakPolarHBondContact O-CA 3.4Å; V474-G478 PolarHBondContact O-N 3.11Å; G478-P511 WeakPolarHBondContact O-CG 3.26Å
479	E	93.7	Very high	92.7	Very high	129 Å²	129	44.9 Å²	44.9	60%	0.603	24%	0.242	S	C	*	.			trans	-108.2	141.3	-179.8	-68.8	-59.9	148.4	0	0	111.5	V474 T477	V474-E479 WeakPolarHBondContact CG1-O 3.32Å; T477-E479 PolarHBondContact O-N 2.8Å; T477-E479 PolarHBondContact OG1-N 2.71Å
480	L	95.1	Very high	92.8	Very high	34 Å²	34	49.5 Å²	49.5	18%	0.178	27%	0.268	C	S	.	.			trans	-69.5	139.7	175.8	177.4	154.8	0	0	0	110.1	N482 L508 C509 F510 E539 A542 K543	L480-N482 HydrophobicContact CD2-CB 4.24Å; L480-L508 HydrophobicContact CD1-CD1 4.06Å; L480-L508 HydrophobicContact CD2-CD1 3.67Å; L480-L508 HydrophobicContact CG-CD1 4Å; L480-C509 WeakPolarHBondContact CA-O 3.5Å; L480-F510 HydrophobicContact CB-CB 4.37Å; L480-F510 HydrophobicContact CD1-CB 3.81Å; L480-F510 HydrophobicContact CG-CB 4.04Å; L480-E539 HydrophobicContact CD1-CB 4.03Å; L480-E539 HydrophobicContact CD1-CG 4.4Å; L480-E539 HydrophobicContact CD2-CB 4.22Å; L480-E539 HydrophobicContact CD2-CG 3.8Å; L480-A542 HydrophobicContact CD1-CB 4.41Å; L480-K543 HydrophobicContact CD1-CG 4.14Å
481	L	95.6	Very high	92.6	Very high	33 Å²	33	51.9 Å²	51.9	17%	0.173	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	116.2	177	-167.1	66.6	0	0	0	111.1	I470 Y473 V474 I483 C509	I470-L481 HydrophobicContact CG2-CD2 4.17Å; Y473-L481 HydrophobicContact CD1-CD2 4.21Å; V474-L481 HydrophobicContact CG2-CB 3.88Å; L481-I483 HydrophobicContact CD2-CD1 3.77Å; L481-I483 HydrophobicContact CD2-CG1 3.99Å; L481-I483 HydrophobicContact CG-CD1 4.19Å; L481-I483 HydrophobicContact CG-CG1 3.85Å; L481-C509 PolarHBondContact N-O 3.11Å; L481-C509 PolarHBondContact O-N 2.81Å
482	N	94.9	Very high	92.5	Very high	36 Å²	36	53 Å²	53	19%	0.193	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	104.5	176.1	-174.3	-1.3	0	0	0	110.4	L480 L508 F534 E539	L480-N482 HydrophobicContact CD2-CB 4.24Å; N482-L508 HydrophobicContact CB-CD1 3.96Å; N482-F534 PolarHBondContact ND2-O 2.92Å; N482-E539 HydrophobicContact CB-CG 4.42Å; N482-E539 VanDerWaalsContact CB-OE1 3.23Å; N482-E539 WeakPolarHBondContact CB-OE1 3.28Å; N482-E539 PolarHBondContact ND2-OE1 3.43Å
483	I	95.3	Very high	92	Very high	7 Å²	7	60.6 Å²	60.6	4%	0.036	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	114.6	-174.3	-55.8	173.9	0	0	0	109.4	I470 L481 D485 H489 N506 I507	I470-I483 HydrophobicContact CD1-CD1 3.44Å; I470-I483 VanDerWaalsContact CD1-CD1 3.44Å; I470-I483 HydrophobicContact CG1-CD1 3.76Å; I470-I483 HydrophobicContact CG2-CD1 4.23Å; L481-I483 HydrophobicContact CD2-CD1 3.77Å; L481-I483 HydrophobicContact CD2-CG1 3.99Å; L481-I483 HydrophobicContact CG-CD1 4.19Å; L481-I483 HydrophobicContact CG-CG1 3.85Å; I483-D485 WeakPolarHBondContact CG2-O 3.23Å; I483-H489 HydrophobicContact CD1-CB 4.29Å; I483-H489 HydrophobicContact CG2-CB 3.72Å; I483-N506 CarbonylContact O-C 3.38Å; I483-N506 VanDerWaalsContact O-CA 3.24Å; I483-N506 WeakPolarHBondContact O-CA 3.09Å; I483-N506 VanDerWaalsContact O-CB 3.28Å; I483-N506 WeakPolarHBondContact O-CB 3.15Å; I483-I507 HydrophobicContact CB-CB 4.26Å; I483-I507 HydrophobicContact CD1-CB 4.39Å; I483-I507 PolarHBondContact N-O 3.41Å; I483-I507 PolarHBondContact O-N 3.02Å
484	K	90.3	Very high	91.2	Very high	122 Å²	122	61.6 Å²	61.6	53%	0.53	32%	0.317	S	S	.	.	S	Bend	trans	-76.5	-31	-179.6	-58.4	-174	179.9	-173.9	0	113.8	F533	K484-F533 HydrophobicContact CB-CB 4.14Å; K484-F533 HydrophobicContact CB-CD1 4.39Å; K484-F533 HydrophobicContact CB-CG 4.35Å; K484-F533 HydrophobicContact CD-CD1 4.22Å; K484-F533 HydrophobicContact CD-CD2 4.34Å; K484-F533 HydrophobicContact CD-CE1 4.44Å; K484-F533 HydrophobicContact CD-CG 4.18Å; K484-F533 HydrophobicContact CG-CB 4.04Å; K484-F533 HydrophobicContact CG-CD1 4.34Å; K484-F533 HydrophobicContact CG-CD2 4.4Å; K484-F533 HydrophobicContact CG-CG 4.01Å
485	D	90.9	Very high	90	Very high	87 Å²	87	62.3 Å²	62.3	47%	0.465	32%	0.324	S	S	.	.			trans	-134.1	105.6	172.7	-178.9	-8.8	0	0	0	109.9	I483 Y487 A488 H489 R505	I483-D485 WeakPolarHBondContact CG2-O 3.23Å; D485-Y487 VanDerWaalsContact C-N 3.34Å; D485-Y487 PolarHBondContact O-N 3.44Å; D485-Y487 PolarHBondContact OD1-N 3.14Å; D485-A488 HydrophobicContact CB-CB 3.99Å; D485-A488 PolarHBondContact O-N 2.94Å; D485-A488 PolarHBondContact OD1-N 2.81Å; D485-H489 PolarHBondContact O-N 3.49Å; D485-R505 CarbonylContact C-O 3.59Å; D485-R505 WeakPolarHBondContact CA-O 3.23Å
486	A	91.9	Very high	89	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-37.6	-179.1	0	0	0	0	0	112.3	A488 H489 F492 T504 R505 I507	A486-A488 VanDerWaalsContact C-N 3.32Å; A486-A488 PolarHBondContact O-N 2.83Å; A486-H489 PolarHBondContact O-N 3.47Å; A486-H489 VanDerWaalsContact O-N 3.17Å; A486-F492 HydrophobicContact CB-CD1 4.2Å; A486-F492 HydrophobicContact CB-CD2 3.98Å; A486-F492 HydrophobicContact CB-CE1 4.32Å; A486-F492 HydrophobicContact CB-CE2 4.11Å; A486-F492 HydrophobicContact CB-CG 4.05Å; A486-F492 HydrophobicContact CB-CZ 4.29Å; A486-F492 WeakPolarHBondContact O-CB 3.35Å; A486-F492 WeakPolarHBondContact O-CD1 3.5Å; A486-F492 WeakPolarHBondContact O-CG 3.42Å; A486-T504 HydrophobicContact CB-CG2 3.94Å; A486-R505 PolarHBondContact N-O 2.83Å; A486-I507 HydrophobicContact CB-CD1 3.88Å; A486-I507 HydrophobicContact CB-CG1 4.22Å
487	Y	91.5	Very high	88.1	Confident	66 Å²	66	62.2 Å²	62.2	26%	0.259	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-25.1	-176.4	-85.8	-112.2	0	0	0	112.8	D485 F492 R494 D497 R503 T504	D485-Y487 VanDerWaalsContact C-N 3.34Å; D485-Y487 PolarHBondContact O-N 3.44Å; D485-Y487 PolarHBondContact OD1-N 3.14Å; Y487-F492 HydrophobicContact CD2-CD1 4.31Å; Y487-F492 AromaticContact CD2-CE1 3.74Å; Y487-F492 HydrophobicContact CD2-CE1 3.74Å; Y487-F492 AromaticContact CE2-CE1 3.59Å; Y487-F492 HydrophobicContact CE2-CE1 3.59Å; Y487-F492 HydrophobicContact CE2-CZ 4.15Å; Y487-F492 HydrophobicContact CG-CE1 4.34Å; Y487-R494 HydrophobicContact CD1-CG 4.19Å; Y487-R494 HydrophobicContact CE1-CG 4.04Å; Y487-R494 PolarHBondContact O-NH2 2.78Å; Y487-D497 VanDerWaalsContact CE2-OD2 3.23Å; Y487-D497 WeakPolarHBondContact CE2-OD2 3.29Å; Y487-D497 WeakPolarHBondContact OH-CB 3.44Å; Y487-D497 PolarHBondContact OH-OD2 3.46Å; Y487-R503 HydrophobicContact CE2-CG 4.26Å; Y487-T504 WeakPolarHBondContact CD2-O 3.37Å; Y487-T504 VanDerWaalsContact CE2-O 3.3Å; Y487-T504 WeakPolarHBondContact CE2-O 3.19Å
488	A	91.4	Very high	87.1	Confident	74 Å²	74	67.8 Å²	67.8	61%	0.612	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-16.8	172.3	0	0	0	0	0	113.2	D485 A486	D485-A488 HydrophobicContact CB-CB 3.99Å; D485-A488 PolarHBondContact O-N 2.94Å; D485-A488 PolarHBondContact OD1-N 2.81Å; A486-A488 VanDerWaalsContact C-N 3.32Å; A486-A488 PolarHBondContact O-N 2.83Å
489	H	91.9	Very high	85.8	Confident	49 Å²	49	74.3 Å²	74.3	23%	0.227	37%	0.368	C	S	.	.			trans	-83.4	129.9	-174.3	-162.9	-83.2	0	0	0	112.6	I483 D485 A486 L491 F492	I483-H489 HydrophobicContact CD1-CB 4.29Å; I483-H489 HydrophobicContact CG2-CB 3.72Å; D485-H489 PolarHBondContact O-N 3.49Å; A486-H489 PolarHBondContact O-N 3.47Å; A486-H489 VanDerWaalsContact O-N 3.17Å; H489-L491 VanDerWaalsContact C-N 3.29Å; H489-L491 PolarHBondContact ND1-N 3.29Å; H489-L491 PolarHBondContact O-N 3.17Å; H489-F492 HydrophobicContact CB-CB 4.45Å; H489-F492 WeakPolarHBondContact O-CB 3.46Å; H489-F492 PolarHBondContact O-N 2.85Å; H489-F492 VanDerWaalsContact O-N 3.12Å
490	P	90.7	Very high	84.7	Confident	120 Å²	120	71.4 Å²	71.4	78%	0.779	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-27.1	-172.8	23.9	-34.2	0	0	0	114.4	F492	P490-F492 VanDerWaalsContact C-N 3.33Å
491	L	90.1	Very high	83.7	Confident	60 Å²	60	73.1 Å²	73.1	31%	0.314	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-5.3	178.3	-59.9	180	0	0	0	114.1	G469 I470 Y473 H489	G469-L491 WeakPolarHBondContact CA-O 3.45Å; I470-L491 HydrophobicContact CG1-CB 3.93Å; Y473-L491 HydrophobicContact CD1-CD1 4.35Å; Y473-L491 HydrophobicContact CD2-CD1 3.87Å; Y473-L491 HydrophobicContact CG-CD1 3.67Å; H489-L491 VanDerWaalsContact C-N 3.29Å; H489-L491 PolarHBondContact ND1-N 3.29Å; H489-L491 PolarHBondContact O-N 3.17Å
492	F	89.2	Confident	82.9	Confident	28 Å²	28	72.5 Å²	72.5	12%	0.123	38%	0.382	C	S	.	.			trans	-83.4	122.9	-175.8	-179.2	-110.1	0	0	0	112	I470 A486 Y487 H489 P490 R494 T504 I507	I470-F492 HydrophobicContact CD1-CB 4.2Å; I470-F492 HydrophobicContact CD1-CD2 4.02Å; A486-F492 HydrophobicContact CB-CD1 4.2Å; A486-F492 HydrophobicContact CB-CD2 3.98Å; A486-F492 HydrophobicContact CB-CE1 4.32Å; A486-F492 HydrophobicContact CB-CE2 4.11Å; A486-F492 HydrophobicContact CB-CG 4.05Å; A486-F492 HydrophobicContact CB-CZ 4.29Å; A486-F492 WeakPolarHBondContact O-CB 3.35Å; A486-F492 WeakPolarHBondContact O-CD1 3.5Å; A486-F492 WeakPolarHBondContact O-CG 3.42Å; Y487-F492 HydrophobicContact CD2-CD1 4.31Å; Y487-F492 AromaticContact CD2-CE1 3.74Å; Y487-F492 HydrophobicContact CD2-CE1 3.74Å; Y487-F492 AromaticContact CE2-CE1 3.59Å; Y487-F492 HydrophobicContact CE2-CE1 3.59Å; Y487-F492 HydrophobicContact CE2-CZ 4.15Å; Y487-F492 HydrophobicContact CG-CE1 4.34Å; H489-F492 HydrophobicContact CB-CB 4.45Å; H489-F492 WeakPolarHBondContact O-CB 3.46Å; H489-F492 PolarHBondContact O-N 2.85Å; H489-F492 VanDerWaalsContact O-N 3.12Å; P490-F492 VanDerWaalsContact C-N 3.33Å; F492-R494 HydrophobicContact CD1-CG 3.97Å; F492-R494 HydrophobicContact CE1-CG 3.98Å; F492-T504 HydrophobicContact CE2-CG2 3.88Å; F492-T504 HydrophobicContact CZ-CG2 4.2Å; F492-I507 HydrophobicContact CD2-CD1 3.73Å; F492-I507 HydrophobicContact CE2-CD1 3.95Å
493	Y	80.7	Confident	82.5	Confident	158 Å²	158	79.3 Å²	79.3	62%	0.62	40%	0.404	S	S	*	.			trans	-94.3	106	179.2	179.8	-118.8	0	0	0	111.9	G495 V496	Y493-G495 PolarHBondContact O-N 3.13Å; Y493-G495 VanDerWaalsContact O-N 3.17Å; Y493-V496 HydrophobicContact CD1-CG2 3.9Å; Y493-V496 HydrophobicContact CE1-CG2 4.28Å
494	R	77.7	Confident	82.2	Confident	130 Å²	130	79.3 Å²	79.3	49%	0.491	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-10	-176.2	-56.7	178.3	-175.1	178.2	-0.1	114.9	Y487 F492 V496 K498	Y487-R494 HydrophobicContact CD1-CG 4.19Å; Y487-R494 HydrophobicContact CE1-CG 4.04Å; Y487-R494 PolarHBondContact O-NH2 2.78Å; F492-R494 HydrophobicContact CD1-CG 3.97Å; F492-R494 HydrophobicContact CE1-CG 3.98Å; R494-V496 VanDerWaalsContact C-N 3.34Å; R494-K498 WeakPolarHBondContact O-CG 3.49Å; R494-K498 PolarHBondContact O-N 3.3Å
495	G	68.7	Low	82.3	Confident	14 Å²	14	78.2 Å²	78.2	14%	0.144	40%	0.398	C	S	.	.	H	α-helix	trans	-64.6	-37.8	-177.5	0	0	0	0	0	112.8	Y493 K498 E499	Y493-G495 PolarHBondContact O-N 3.13Å; Y493-G495 VanDerWaalsContact O-N 3.17Å; G495-K498 PolarHBondContact O-N 3.39Å; G495-E499 PolarHBondContact O-N 3.01Å; G495-E499 VanDerWaalsContact O-N 3.15Å
496	V	71.6	Confident	82.4	Confident	78 Å²	78	74.1 Å²	74.1	47%	0.473	38%	0.375	S	S	.	.	H	α-helix	trans	-63.9	-44.5	-179.6	-176.3	0	0	0	0	111.2	Y493 R494 K498 E499 T500	Y493-V496 HydrophobicContact CD1-CG2 3.9Å; Y493-V496 HydrophobicContact CE1-CG2 4.28Å; R494-V496 VanDerWaalsContact C-N 3.34Å; V496-K498 VanDerWaalsContact C-N 3.32Å; V496-K498 PolarHBondContact O-N 3.36Å; V496-E499 PolarHBondContact O-N 2.91Å; V496-T500 HydrophobicContact CG1-CG2 4.08Å; V496-T500 WeakPolarHBondContact O-CB 3.26Å; V496-T500 VanDerWaalsContact O-CG2 3.31Å; V496-T500 WeakPolarHBondContact O-CG2 2.92Å; V496-T500 PolarHBondContact O-N 3.33Å; V496-T500 PolarHBondContact O-OG1 2.69Å
497	D	74.2	Confident	82.6	Confident	8 Å²	8	74.1 Å²	74.1	4%	0.043	38%	0.375	C	S	.	.	H	α-helix	trans	-60	-40.7	176.2	-81.3	26.6	0	0	0	111.9	Y487 E499 G501 F502 R503 T504	Y487-D497 VanDerWaalsContact CE2-OD2 3.23Å; Y487-D497 WeakPolarHBondContact CE2-OD2 3.29Å; Y487-D497 WeakPolarHBondContact OH-CB 3.44Å; Y487-D497 PolarHBondContact OH-OD2 3.46Å; D497-E499 VanDerWaalsContact C-N 3.31Å; D497-E499 PolarHBondContact O-N 2.85Å; D497-G501 WeakPolarHBondContact O-CA 3.33Å; D497-G501 PolarHBondContact O-N 2.94Å; D497-F502 VanDerWaalsContact CA-O 3.23Å; D497-F502 WeakPolarHBondContact CA-O 3.39Å; D497-F502 WeakPolarHBondContact CB-O 3.45Å; D497-R503 WeakPolarHBondContact OD2-CA 3.35Å; D497-T504 PolarHBondContact OD1-OG1 3.16Å; D497-T504 PolarHBondContact OD2-N 3.3Å
498	K	71.9	Confident	82.9	Confident	175 Å²	175	71 Å²	71	76%	0.761	36%	0.363	S	S	*	.	H	α-helix	trans	-65.4	-34	178.5	-70.6	177.8	-179.4	-178.3	0	112.9	R494 G495 V496	R494-K498 WeakPolarHBondContact O-CG 3.49Å; R494-K498 PolarHBondContact O-N 3.3Å; G495-K498 PolarHBondContact O-N 3.39Å; V496-K498 VanDerWaalsContact C-N 3.32Å; V496-K498 PolarHBondContact O-N 3.36Å
499	E	65.1	Low	83.1	Confident	153 Å²	153	67.4 Å²	67.4	72%	0.715	33%	0.334	S	S	*	.	H	α-helix	trans	-81.7	-36.9	179.4	-72.5	-175.8	170.6	0	0	112.6	G495 V496 D497	G495-E499 PolarHBondContact O-N 3.01Å; G495-E499 VanDerWaalsContact O-N 3.15Å; V496-E499 PolarHBondContact O-N 2.91Å; D497-E499 VanDerWaalsContact C-N 3.31Å; D497-E499 PolarHBondContact O-N 2.85Å
500	T	69.6	Low	83.3	Confident	67 Å²	67	65.2 Å²	65.2	41%	0.411	32%	0.324	S	S	.	.	H	α-helix	trans	-89.8	-18.1	-175.8	59.7	0	0	0	0	113.7	V496 F502	V496-T500 HydrophobicContact CG1-CG2 4.08Å; V496-T500 WeakPolarHBondContact O-CB 3.26Å; V496-T500 VanDerWaalsContact O-CG2 3.31Å; V496-T500 WeakPolarHBondContact O-CG2 2.92Å; V496-T500 PolarHBondContact O-N 3.33Å; V496-T500 PolarHBondContact O-OG1 2.69Å; T500-F502 PolarHBondContact O-N 3.01Å; T500-F502 WeakPolarHBondContact OG1-CB 3.37Å; T500-F502 PolarHBondContact OG1-N 3.42Å
501	G	74.3	Confident	83.5	Confident	71 Å²	71	60 Å²	60	73%	0.732	29%	0.29	S	S	*	.			trans	71.3	-0	-171.1	0	0	0	0	0	113.8	D497	D497-G501 WeakPolarHBondContact O-CA 3.33Å; D497-G501 PolarHBondContact O-N 2.94Å
502	F	79.7	Confident	83.8	Confident	20 Å²	20	57.1 Å²	57.1	9%	0.088	28%	0.275	C	S	.	.			trans	-81.3	131.6	176	-177.1	-109.2	0	0	0	109.8	E416 R417 D497 T500 C526 N527	E416-F502 VanDerWaalsContact CD-CE2 3.49Å; E416-F502 HydrophobicContact CG-CE2 4.27Å; E416-F502 WeakPolarHBondContact OE1-CE2 3.23Å; E416-F502 WeakPolarHBondContact OE2-CE2 3.34Å; R417-F502 HydrophobicContact CG-CE2 4.25Å; R417-F502 HydrophobicContact CG-CZ 4.04Å; R417-F502 VanDerWaalsContact NE-CD2 3.3Å; R417-F502 VanDerWaalsContact NE-CE2 3.31Å; D497-F502 VanDerWaalsContact CA-O 3.23Å; D497-F502 WeakPolarHBondContact CA-O 3.39Å; D497-F502 WeakPolarHBondContact CB-O 3.45Å; T500-F502 PolarHBondContact O-N 3.01Å; T500-F502 WeakPolarHBondContact OG1-CB 3.37Å; T500-F502 PolarHBondContact OG1-N 3.42Å; F502-C526 HydrophobicContact CE1-CB 4.07Å; F502-C526 HydrophobicContact CZ-CB 4.35Å; F502-N527 HydrophobicContact CZ-CB 4.42Å; F502-N527 WeakPolarHBondContact CZ-ND2 3.43Å
503	R	85.8	Confident	83.9	Confident	178 Å²	178	61.7 Å²	61.7	67%	0.672	30%	0.295	S	S	*	.			trans	-99.7	111.6	174.8	-175.7	175	179.7	174.1	-1.5	110.2	Y487 D497 R505 N527	Y487-R503 HydrophobicContact CE2-CG 4.26Å; D497-R503 WeakPolarHBondContact OD2-CA 3.35Å; R503-R505 PolarHBondContact O-N 3.12Å; R503-N527 PolarHBondContact O-ND2 3.35Å
504	T	89.3	Confident	84.2	Confident	8 Å²	8	55.7 Å²	55.7	5%	0.049	27%	0.273	C	S	.	.			trans	-80.6	113.8	174.6	-50.2	0	0	0	0	109.7	A486 Y487 F492 D497 I507 C526	A486-T504 HydrophobicContact CB-CG2 3.94Å; Y487-T504 WeakPolarHBondContact CD2-O 3.37Å; Y487-T504 VanDerWaalsContact CE2-O 3.3Å; Y487-T504 WeakPolarHBondContact CE2-O 3.19Å; F492-T504 HydrophobicContact CE2-CG2 3.88Å; F492-T504 HydrophobicContact CZ-CG2 4.2Å; D497-T504 PolarHBondContact OD1-OG1 3.16Å; D497-T504 PolarHBondContact OD2-N 3.3Å; T504-I507 HydrophobicContact CG2-CD1 3.66Å; T504-I507 HydrophobicContact CG2-CG1 3.49Å; T504-I507 VanDerWaalsContact CG2-CG1 3.49Å; T504-C526 HydrophobicContact CG2-CB 4.28Å
505	R	92.5	Very high	84.3	Confident	99 Å²	99	59.1 Å²	59.1	37%	0.374	30%	0.295	S	S	.	.			trans	-92.2	-51.1	179.4	-61.6	-178.7	-68.7	112.1	-2.2	111.7	D485 A486 R503 N527 K528	D485-R505 CarbonylContact C-O 3.59Å; D485-R505 WeakPolarHBondContact CA-O 3.23Å; A486-R505 PolarHBondContact N-O 2.83Å; R503-R505 PolarHBondContact O-N 3.12Å; R505-N527 WeakPolarHBondContact CB-OD1 3.23Å; R505-N527 PolarHBondContact N-OD1 3.22Å; R505-K528 PolarHBondContact NH2-O 2.85Å
506	N	93.3	Very high	84.6	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.327	C	S	.	.			trans	-141.1	154.3	-177.8	57.2	67	0	0	0	110.1	I483 N527 K528 P532 F533 F534	I483-N506 CarbonylContact O-C 3.38Å; I483-N506 VanDerWaalsContact O-CA 3.24Å; I483-N506 WeakPolarHBondContact O-CA 3.09Å; I483-N506 VanDerWaalsContact O-CB 3.28Å; I483-N506 WeakPolarHBondContact O-CB 3.15Å; N506-N527 PolarHBondContact N-OD1 2.91Å; N506-N527 PolarHBondContact O-N 2.96Å; N506-N527 VanDerWaalsContact OD1-CA 3.23Å; N506-N527 WeakPolarHBondContact OD1-CA 3.43Å; N506-N527 PolarHBondContact OD1-N 2.9Å; N506-K528 PolarHBondContact OD1-N 3.43Å; N506-P532 PolarHBondContact ND2-O 3.45Å; N506-F533 HydrophobicContact CB-CB 4.3Å; N506-F534 WeakPolarHBondContact OD1-CD2 3.5Å; N506-F534 WeakPolarHBondContact OD1-CE2 3.23Å
507	I	95.6	Very high	84.7	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	133.2	-173.3	-61.4	169.4	0	0	0	109.7	I470 I483 A486 F492 T504 C509 Q524 L525	I470-I507 HydrophobicContact CD1-CD1 3.39Å; I470-I507 HydrophobicContact CG2-CG2 4.42Å; I483-I507 HydrophobicContact CB-CB 4.26Å; I483-I507 HydrophobicContact CD1-CB 4.39Å; I483-I507 PolarHBondContact N-O 3.41Å; I483-I507 PolarHBondContact O-N 3.02Å; A486-I507 HydrophobicContact CB-CD1 3.88Å; A486-I507 HydrophobicContact CB-CG1 4.22Å; F492-I507 HydrophobicContact CD2-CD1 3.73Å; F492-I507 HydrophobicContact CE2-CD1 3.95Å; T504-I507 HydrophobicContact CG2-CD1 3.66Å; T504-I507 HydrophobicContact CG2-CG1 3.49Å; T504-I507 VanDerWaalsContact CG2-CG1 3.49Å; I507-C509 HydrophobicContact CG2-CB 4.14Å; I507-Q524 HydrophobicContact CG2-CG 3.57Å; I507-L525 CarbonylContact C-O 3.35Å; I507-L525 VanDerWaalsContact CA-O 3.3Å; I507-L525 WeakPolarHBondContact CA-O 3.41Å
508	L	96.6	Very high	85.4	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	110.9	165	176.2	63.3	0	0	0	108.5	L480 N482 L525 F534 D538 E539 A542	L480-L508 HydrophobicContact CD1-CD1 4.06Å; L480-L508 HydrophobicContact CD2-CD1 3.67Å; L480-L508 HydrophobicContact CG-CD1 4Å; N482-L508 HydrophobicContact CB-CD1 3.96Å; L508-L525 HydrophobicContact CB-CB 4.26Å; L508-L525 HydrophobicContact CD2-CD1 4.07Å; L508-L525 HydrophobicContact CG-CD1 4.43Å; L508-L525 PolarHBondContact N-O 3.33Å; L508-L525 PolarHBondContact O-N 2.86Å; L508-F534 HydrophobicContact CB-CB 4.03Å; L508-F534 HydrophobicContact CB-CD1 4.05Å; L508-F534 HydrophobicContact CB-CD2 3.49Å; L508-F534 VanDerWaalsContact CB-CD2 3.49Å; L508-F534 HydrophobicContact CB-CE1 4.42Å; L508-F534 HydrophobicContact CB-CE2 3.9Å; L508-F534 HydrophobicContact CB-CG 3.58Å; L508-F534 HydrophobicContact CB-CZ 4.35Å; L508-F534 HydrophobicContact CD2-CB 4.15Å; L508-F534 HydrophobicContact CD2-CD1 4.02Å; L508-F534 HydrophobicContact CD2-CG 4.1Å; L508-F534 HydrophobicContact CG-CG 4.44Å; L508-D538 HydrophobicContact CD2-CB 4.04Å; L508-E539 HydrophobicContact CD1-CG 4.01Å; L508-A542 HydrophobicContact CD2-CB 4.02Å
509	C	96.2	Very high	86.4	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127.7	-177.1	-168	0	0	0	0	110.4	I470 V474 L480 L481 I507 V522 A523 Q524	I470-C509 HydrophobicContact CG2-CB 3.65Å; V474-C509 HydrophobicContact CG2-CB 4Å; L480-C509 WeakPolarHBondContact CA-O 3.5Å; L481-C509 PolarHBondContact N-O 3.11Å; L481-C509 PolarHBondContact O-N 2.81Å; I507-C509 HydrophobicContact CG2-CB 4.14Å; C509-V522 WeakPolarHBondContact SG-CG1 3.34Å; C509-A523 CarbonylContact C-O 3.5Å; C509-A523 WeakPolarHBondContact CA-O 3.49Å; C509-A523 PolarHBondContact SG-O 3.23Å; C509-A523 VanDerWaalsContact SG-O 3.41Å; C509-Q524 HydrophobicContact CB-CB 4.5Å; C509-Q524 HydrophobicContact CB-CG 4.25Å
510	F	96.3	Very high	87.7	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.009	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	146.3	-173.2	62.1	-88.1	0	0	0	112.4	L480 A523 L525 A542 F545	L480-F510 HydrophobicContact CB-CB 4.37Å; L480-F510 HydrophobicContact CD1-CB 3.81Å; L480-F510 HydrophobicContact CG-CB 4.04Å; F510-A523 HydrophobicContact CD1-CB 4.23Å; F510-A523 HydrophobicContact CD2-CB 4.18Å; F510-A523 HydrophobicContact CE1-CB 3.67Å; F510-A523 HydrophobicContact CE2-CB 3.63Å; F510-A523 HydrophobicContact CG-CB 4.48Å; F510-A523 HydrophobicContact CZ-CB 3.35Å; F510-A523 PolarHBondContact N-O 3.29Å; F510-A523 PolarHBondContact O-N 3.42Å; F510-L525 HydrophobicContact CE1-CD1 3.78Å; F510-L525 HydrophobicContact CE1-CG 4.28Å; F510-A542 HydrophobicContact CD1-CB 3.73Å; F510-A542 HydrophobicContact CE1-CB 3.89Å; F510-A542 HydrophobicContact CG-CB 4.05Å; F510-A542 HydrophobicContact CZ-CB 4.33Å; F510-F545 HydrophobicContact CE2-CD1 4.25Å; F510-F545 AromaticContact CZ-CD1 3.94Å; F510-F545 HydrophobicContact CZ-CD1 3.94Å; F510-F545 HydrophobicContact CZ-CE1 4.46Å
511	P	96	Very high	88.9	Confident	11 Å²	11	55 Å²	55	7%	0.071	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	146.1	-178.4	32.6	-34.9	0	0	0	111.2	V474 G478 I519 S546	V474-P511 HydrophobicContact CG1-CB 3.99Å; V474-P511 HydrophobicContact CG1-CG 4.31Å; G478-P511 WeakPolarHBondContact O-CG 3.26Å; P511-I519 HydrophobicContact CB-CD1 3.58Å; P511-S546 WeakPolarHBondContact O-CB 3.42Å
512	I	95.6	Very high	89.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	103.5	166.6	-57.3	174.7	0	0	0	105.8	V420 V520 G521 A523 C549 C550 I553	V420-I512 HydrophobicContact CG1-CD1 4.08Å; I512-V520 HydrophobicContact CG2-CB 4.41Å; I512-V520 WeakPolarHBondContact O-CB 2.85Å; I512-V520 PolarHBondContact O-N 3.45Å; I512-G521 PolarHBondContact N-O 2.79Å; I512-G521 PolarHBondContact O-N 3.3Å; I512-G521 VanDerWaalsContact O-N 3.14Å; I512-A523 HydrophobicContact CD1-CB 4.33Å; I512-C549 HydrophobicContact CD1-CB 4.07Å; I512-C549 HydrophobicContact CG1-CB 4.38Å; I512-C549 HydrophobicContact CG2-CB 4.26Å; I512-C550 VanDerWaalsContact CG2-CA 3.42Å; I512-C550 HydrophobicContact CG2-CB 3.6Å; I512-I553 HydrophobicContact CD1-CD1 3.85Å; I512-I553 HydrophobicContact CG2-CD1 4.31Å
513	K	91	Very high	90.5	Very high	123 Å²	123	50.7 Å²	50.7	54%	0.535	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.9	-172.2	63.8	-175.5	-179.6	-176.8	0	112	G518 I519 C550	K513-G518 CarbonylContact C-O 3.48Å; K513-G518 WeakPolarHBondContact CA-O 3.49Å; K513-I519 HydrophobicContact CB-CD1 4.11Å; K513-C550 PolarHBondContact O-SG 3.35Å
514	N	88	Confident	90.9	Very high	33 Å²	33	43.7 Å²	43.7	18%	0.176	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	129.7	166.5	179.5	-15	0	0	0	107.8	K516 D517 G518 V520 C550	N514-K516 PolarHBondContact O-N 3.01Å; N514-K516 VanDerWaalsContact O-N 3.11Å; N514-K516 PolarHBondContact OD1-N 3.24Å; N514-K516 VanDerWaalsContact OD1-N 3.11Å; N514-D517 HydrophobicContact CB-CB 4.21Å; N514-D517 PolarHBondContact ND2-OD2 3.17Å; N514-D517 PolarHBondContact O-N 2.95Å; N514-G518 PolarHBondContact N-O 3.4Å; N514-G518 PolarHBondContact O-N 3.36Å; N514-V520 HydrophobicContact CB-CG2 3.74Å; N514-C550 VanDerWaalsContact CA-SG 3.57Å; N514-C550 PolarHBondContact N-SG 3.22Å
515	E	78.2	Confident	91.1	Very high	201 Å²	201	43.4 Å²	43.4	94%	0.939	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-28.7	-177.7	-67	-166	157.2	0	0	113.6
516	K	76.9	Confident	91.1	Very high	189 Å²	189	39.2 Å²	39.2	82%	0.822	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-41.7	-179.9	-67	-175.3	179.7	179.9	0	113.6	N514	N514-K516 PolarHBondContact O-N 3.01Å; N514-K516 VanDerWaalsContact O-N 3.11Å; N514-K516 PolarHBondContact OD1-N 3.24Å; N514-K516 VanDerWaalsContact OD1-N 3.11Å
517	D	73.1	Confident	91	Very high	127 Å²	127	39.4 Å²	39.4	68%	0.679	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.8	1.8	-167.8	-57.2	-42.1	0	0	0	113.7	N514	N514-D517 HydrophobicContact CB-CB 4.21Å; N514-D517 PolarHBondContact ND2-OD2 3.17Å; N514-D517 PolarHBondContact O-N 2.95Å
518	G	88.9	Confident	90.8	Very high	36 Å²	36	40.4 Å²	40.4	37%	0.371	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	79.8	-144.8	179.5	0	0	0	0	0	113.2	K513 N514 V520	K513-G518 CarbonylContact C-O 3.48Å; K513-G518 WeakPolarHBondContact CA-O 3.49Å; N514-G518 PolarHBondContact N-O 3.4Å; N514-G518 PolarHBondContact O-N 3.36Å; G518-V520 PolarHBondContact O-N 3.24Å
519	I	92.3	Very high	90.3	Very high	37 Å²	37	44.1 Å²	44.1	19%	0.19	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	120	-173.1	-64	-76.4	0	0	0	110.1	L423 A475 P511 K513	L423-I519 HydrophobicContact CD2-CB 4.48Å; L423-I519 HydrophobicContact CD2-CG2 4.44Å; L423-I519 WeakPolarHBondContact CD2-O 3.35Å; A475-I519 HydrophobicContact CB-CG2 4.3Å; A475-I519 WeakPolarHBondContact O-CG1 3.43Å; P511-I519 HydrophobicContact CB-CD1 3.58Å; K513-I519 HydrophobicContact CB-CD1 4.11Å
520	V	93.2	Very high	89.7	Confident	20 Å²	20	50.1 Å²	50.1	12%	0.121	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-32	174.3	-179.9	0	0	0	0	110.4	L423 I512 N514 G518 I553 V554	L423-V520 PolarHBondContact N-O 2.92Å; I512-V520 HydrophobicContact CG2-CB 4.41Å; I512-V520 WeakPolarHBondContact O-CB 2.85Å; I512-V520 PolarHBondContact O-N 3.45Å; N514-V520 HydrophobicContact CB-CG2 3.74Å; G518-V520 PolarHBondContact O-N 3.24Å; V520-I553 HydrophobicContact CG1-CG2 3.77Å; V520-V554 HydrophobicContact CG1-CG2 4.21Å; V520-V554 HydrophobicContact CG2-CG2 3.83Å
521	G	93.5	Very high	88.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.9	-170.2	179.9	0	0	0	0	0	112.9	F421 I512	F421-G521 CarbonylContact O-C 3.11Å; F421-G521 WeakPolarHBondContact O-CA 3.31Å; I512-G521 PolarHBondContact N-O 2.79Å; I512-G521 PolarHBondContact O-N 3.3Å; I512-G521 VanDerWaalsContact O-N 3.14Å
522	V	94.5	Very high	87.9	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	138.2	-179.5	178.6	0	0	0	0	109.1	V420 F421 A471 V474 A475 C509	V420-V522 WeakPolarHBondContact CA-O 3.41Å; F421-V522 PolarHBondContact N-O 3.43Å; F421-V522 PolarHBondContact O-N 3.24Å; A471-V522 HydrophobicContact CB-CG1 4.31Å; V474-V522 HydrophobicContact CB-CG1 4.1Å; V474-V522 HydrophobicContact CB-CG2 4.47Å; V474-V522 HydrophobicContact CG1-CG1 3.84Å; V474-V522 HydrophobicContact CG1-CG2 4.15Å; A475-V522 HydrophobicContact CB-CG2 3.62Å; C509-V522 WeakPolarHBondContact SG-CG1 3.34Å
523	A	94.1	Very high	87.4	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	140.2	169.9	0	0	0	0	0	110	S419 V420 C509 F510 I512	S419-A523 CarbonylContact O-C 3.5Å; S419-A523 WeakPolarHBondContact O-CA 3.38Å; V420-A523 HydrophobicContact CG2-CB 4.23Å; C509-A523 CarbonylContact C-O 3.5Å; C509-A523 WeakPolarHBondContact CA-O 3.49Å; C509-A523 PolarHBondContact SG-O 3.23Å; C509-A523 VanDerWaalsContact SG-O 3.41Å; F510-A523 HydrophobicContact CD1-CB 4.23Å; F510-A523 HydrophobicContact CD2-CB 4.18Å; F510-A523 HydrophobicContact CE1-CB 3.67Å; F510-A523 HydrophobicContact CE2-CB 3.63Å; F510-A523 HydrophobicContact CG-CB 4.48Å; F510-A523 HydrophobicContact CZ-CB 3.35Å; F510-A523 PolarHBondContact N-O 3.29Å; F510-A523 PolarHBondContact O-N 3.42Å; I512-A523 HydrophobicContact CD1-CB 4.33Å
524	Q	93.4	Very high	87.3	Confident	32 Å²	32	52.1 Å²	52.1	15%	0.15	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	119.1	-179.6	-173.2	-178.3	-49.2	0	0	109.3	C418 S419 I507 C509 C526	C418-Q524 CarbonylContact C-O 3.56Å; C418-Q524 VanDerWaalsContact CA-O 3.26Å; C418-Q524 WeakPolarHBondContact CA-O 3.01Å; S419-Q524 PolarHBondContact N-O 2.79Å; S419-Q524 PolarHBondContact O-N 2.87Å; I507-Q524 HydrophobicContact CG2-CG 3.57Å; C509-Q524 HydrophobicContact CB-CB 4.5Å; C509-Q524 HydrophobicContact CB-CG 4.25Å; Q524-C526 PolarHBondContact NE2-SG 2.89Å
525	L	94.4	Very high	87	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	133.6	174.2	-65.9	159.5	0	0	0	108.9	A409 T413 A415 R417 C418 I507 L508 F510 F534	A409-L525 HydrophobicContact CB-CD2 3.9Å; T413-L525 HydrophobicContact CG2-CD1 3.7Å; T413-L525 WeakPolarHBondContact OG1-CD1 3.46Å; A415-L525 HydrophobicContact CB-CB 3.89Å; A415-L525 HydrophobicContact CB-CD2 3.59Å; A415-L525 HydrophobicContact CB-CG 4.28Å; R417-L525 WeakPolarHBondContact O-CA 3.27Å; C418-L525 HydrophobicContact CB-CD2 3.72Å; I507-L525 CarbonylContact C-O 3.35Å; I507-L525 VanDerWaalsContact CA-O 3.3Å; I507-L525 WeakPolarHBondContact CA-O 3.41Å; L508-L525 HydrophobicContact CB-CB 4.26Å; L508-L525 HydrophobicContact CD2-CD1 4.07Å; L508-L525 HydrophobicContact CG-CD1 4.43Å; L508-L525 PolarHBondContact N-O 3.33Å; L508-L525 PolarHBondContact O-N 2.86Å; F510-L525 HydrophobicContact CE1-CD1 3.78Å; F510-L525 HydrophobicContact CE1-CG 4.28Å; L525-F534 HydrophobicContact CB-CE1 4.22Å; L525-F534 HydrophobicContact CB-CE2 4.44Å; L525-F534 HydrophobicContact CB-CZ 3.82Å
526	C	92.5	Very high	87.1	Confident	11 Å²	11	52 Å²	52	7%	0.074	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	140.6	179.4	-61.9	0	0	0	0	110.1	E416 R417 F502 T504 Q524	E416-C526 PolarHBondContact N-O 2.78Å; E416-C526 VanDerWaalsContact N-O 3.11Å; R417-C526 HydrophobicContact CB-CB 4.27Å; R417-C526 PolarHBondContact N-O 2.74Å; R417-C526 PolarHBondContact O-N 3.22Å; F502-C526 HydrophobicContact CE1-CB 4.07Å; F502-C526 HydrophobicContact CZ-CB 4.35Å; T504-C526 HydrophobicContact CG2-CB 4.28Å; Q524-C526 PolarHBondContact NE2-SG 2.89Å
527	N	91.7	Very high	87.1	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.4	98.2	173.7	-66.2	-5.9	0	0	0	114.1	E416 F502 R503 R505 N506 I529	E416-N527 HydrophobicContact CB-CB 3.82Å; E416-N527 PolarHBondContact N-O 3.17Å; E416-N527 VanDerWaalsContact OE2-CB 3.23Å; E416-N527 WeakPolarHBondContact OE2-CB 3.27Å; E416-N527 PolarHBondContact OE2-ND2 3.45Å; F502-N527 HydrophobicContact CZ-CB 4.42Å; F502-N527 WeakPolarHBondContact CZ-ND2 3.43Å; R503-N527 PolarHBondContact O-ND2 3.35Å; R505-N527 WeakPolarHBondContact CB-OD1 3.23Å; R505-N527 PolarHBondContact N-OD1 3.22Å; N506-N527 PolarHBondContact N-OD1 2.91Å; N506-N527 PolarHBondContact O-N 2.96Å; N506-N527 VanDerWaalsContact OD1-CA 3.23Å; N506-N527 WeakPolarHBondContact OD1-CA 3.43Å; N506-N527 PolarHBondContact OD1-N 2.9Å; N527-I529 PolarHBondContact O-N 2.91Å
528	K	91.4	Very high	87.8	Confident	22 Å²	22	39.2 Å²	39.2	10%	0.096	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	128.2	164.7	-170.7	72.2	-180	-164.7	0	110.3	T413 K414 R505 N506 H531 F534 D538	T413-K528 WeakPolarHBondContact O-CD 3.42Å; T413-K528 WeakPolarHBondContact O-CE 3.34Å; T413-K528 PolarHBondContact O-NZ 2.89Å; K414-K528 HydrophobicContact CB-CD 4.46Å; R505-K528 PolarHBondContact NH2-O 2.85Å; N506-K528 PolarHBondContact OD1-N 3.43Å; K528-H531 HydrophobicContact CG-CB 3.63Å; K528-F534 HydrophobicContact CB-CD1 4.16Å; K528-F534 HydrophobicContact CB-CD2 4.45Å; K528-F534 HydrophobicContact CB-CE1 4.1Å; K528-F534 HydrophobicContact CB-CE2 4.42Å; K528-F534 HydrophobicContact CB-CG 4.33Å; K528-F534 HydrophobicContact CB-CZ 4.23Å; K528-F534 HydrophobicContact CD-CD1 3.68Å; K528-F534 HydrophobicContact CD-CE1 3.82Å; K528-F534 HydrophobicContact CD-CG 4.47Å; K528-F534 HydrophobicContact CG-CD1 4.41Å; K528-D538 IonicContact NZ-OD1 3.89Å; K528-D538 PolarHBondContact NZ-OD1 3.16Å; K528-D538 IonicContact NZ-OD2 3.54Å; K528-D538 PolarHBondContact NZ-OD2 3.02Å
529	I	86.4	Confident	87.9	Confident	78 Å²	78	39.4 Å²	39.4	40%	0.4	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	135.9	177	-62	168.3	0	0	0	108.5	K414 E416 N527 H531	K414-I529 HydrophobicContact CB-CB 4.43Å; K414-I529 WeakPolarHBondContact O-CB 3.43Å; K414-I529 WeakPolarHBondContact O-CG1 3.22Å; K414-I529 PolarHBondContact O-N 2.73Å; E416-I529 HydrophobicContact CB-CG1 4.4Å; N527-I529 PolarHBondContact O-N 2.91Å; I529-H531 PolarHBondContact O-N 3.21Å
530	N	83.3	Confident	87.6	Confident	125 Å²	125	41.4 Å²	41.4	67%	0.668	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	22.2	178.1	-57.8	-18.4	0	0	0	115.2
531	H	75.5	Confident	87.4	Confident	45 Å²	45	41.3 Å²	41.3	21%	0.208	21%	0.211	C	C	.	.	S	Bend	trans	-152.6	147.7	178.5	-167.4	-85.7	0	0	0	110.3	K528 I529 F533	K528-H531 HydrophobicContact CG-CB 3.63Å; I529-H531 PolarHBondContact O-N 3.21Å; H531-F533 PolarHBondContact CE1-O 3.29Å; H531-F533 PolarHBondContact ND1-N 3.49Å; H531-F533 PolarHBondContact ND1-O 3.37Å; H531-F533 PolarHBondContact O-N 3.05Å
532	P	78.6	Confident	87.3	Confident	80 Å²	80	41.3 Å²	41.3	52%	0.519	21%	0.211	S	C	.	.	S	Bend	trans	-66.5	-29.3	-173.5	23.2	-35.5	0	0	0	114.7	N506	N506-P532 PolarHBondContact ND2-O 3.45Å
533	F	85.4	Confident	87.1	Confident	53 Å²	53	46 Å²	46	23%	0.232	23%	0.231	C	C	.	.	S	Bend	trans	-156.8	172.2	-179.2	46.5	-99.9	0	0	0	112.6	K484 N506 H531	K484-F533 HydrophobicContact CB-CB 4.14Å; K484-F533 HydrophobicContact CB-CD1 4.39Å; K484-F533 HydrophobicContact CB-CG 4.35Å; K484-F533 HydrophobicContact CD-CD1 4.22Å; K484-F533 HydrophobicContact CD-CD2 4.34Å; K484-F533 HydrophobicContact CD-CE1 4.44Å; K484-F533 HydrophobicContact CD-CG 4.18Å; K484-F533 HydrophobicContact CG-CB 4.04Å; K484-F533 HydrophobicContact CG-CD1 4.34Å; K484-F533 HydrophobicContact CG-CD2 4.4Å; K484-F533 HydrophobicContact CG-CG 4.01Å; N506-F533 HydrophobicContact CB-CB 4.3Å; H531-F533 PolarHBondContact CE1-O 3.29Å; H531-F533 PolarHBondContact ND1-N 3.49Å; H531-F533 PolarHBondContact ND1-O 3.37Å; H531-F533 PolarHBondContact O-N 3.05Å
534	F	88	Confident	86.9	Confident	1 Å²	1	48.9 Å²	48.9	0%	0.004	25%	0.249	C	C	.	.			trans	-75.9	138	173.1	-64.8	-85	0	0	0	111.1	A415 N482 N506 L508 L525 K528 D538	A415-F534 HydrophobicContact CB-CE1 3.89Å; A415-F534 HydrophobicContact CB-CZ 3.79Å; N482-F534 PolarHBondContact ND2-O 2.92Å; N506-F534 WeakPolarHBondContact OD1-CD2 3.5Å; N506-F534 WeakPolarHBondContact OD1-CE2 3.23Å; L508-F534 HydrophobicContact CB-CB 4.03Å; L508-F534 HydrophobicContact CB-CD1 4.05Å; L508-F534 HydrophobicContact CB-CD2 3.49Å; L508-F534 VanDerWaalsContact CB-CD2 3.49Å; L508-F534 HydrophobicContact CB-CE1 4.42Å; L508-F534 HydrophobicContact CB-CE2 3.9Å; L508-F534 HydrophobicContact CB-CG 3.58Å; L508-F534 HydrophobicContact CB-CZ 4.35Å; L508-F534 HydrophobicContact CD2-CB 4.15Å; L508-F534 HydrophobicContact CD2-CD1 4.02Å; L508-F534 HydrophobicContact CD2-CG 4.1Å; L508-F534 HydrophobicContact CG-CG 4.44Å; L525-F534 HydrophobicContact CB-CE1 4.22Å; L525-F534 HydrophobicContact CB-CE2 4.44Å; L525-F534 HydrophobicContact CB-CZ 3.82Å; K528-F534 HydrophobicContact CB-CD1 4.16Å; K528-F534 HydrophobicContact CB-CD2 4.45Å; K528-F534 HydrophobicContact CB-CE1 4.1Å; K528-F534 HydrophobicContact CB-CE2 4.42Å; K528-F534 HydrophobicContact CB-CG 4.33Å; K528-F534 HydrophobicContact CB-CZ 4.23Å; K528-F534 HydrophobicContact CD-CD1 3.68Å; K528-F534 HydrophobicContact CD-CE1 3.82Å; K528-F534 HydrophobicContact CD-CG 4.47Å; K528-F534 HydrophobicContact CG-CD1 4.41Å; F534-D538 HydrophobicContact CB-CB 4.15Å; F534-D538 HydrophobicContact CD1-CB 4.2Å
535	T	82.5	Confident	86.8	Confident	41 Å²	41	47.6 Å²	47.6	25%	0.252	24%	0.243	S	C	.	.			trans	-87.9	168.9	-177.5	63	0	0	0	0	112.1	A537 D538 E539	T535-A537 PolarHBondContact O-N 3.34Å; T535-D538 PolarHBondContact N-OD2 3.34Å; T535-D538 WeakPolarHBondContact O-CB 3.24Å; T535-D538 PolarHBondContact O-N 2.95Å; T535-D538 VanDerWaalsContact O-N 3.08Å; T535-D538 PolarHBondContact OG1-N 3.04Å; T535-D538 PolarHBondContact OG1-OD2 3.47Å; T535-E539 PolarHBondContact O-N 2.86Å
536	R	79.9	Confident	86.8	Confident	191 Å²	191	48.1 Å²	48.1	72%	0.721	25%	0.247	S	C	*	.	H	α-helix	trans	-58.9	-36.3	171	-75.4	-174.6	177.4	172	2.8	112.6	D538 E539 D540	R536-D538 VanDerWaalsContact C-N 3.25Å; R536-D538 PolarHBondContact O-N 3.16Å; R536-E539 VanDerWaalsContact O-CB 3.32Å; R536-E539 WeakPolarHBondContact O-CB 3.42Å; R536-E539 PolarHBondContact O-N 3.41Å; R536-D540 PolarHBondContact O-N 3.1Å; R536-D540 VanDerWaalsContact O-N 3.09Å
537	A	77.7	Confident	86.7	Confident	38 Å²	38	52.3 Å²	52.3	31%	0.314	27%	0.268	S	S	.	.	H	α-helix	trans	-60.7	-36.6	175.1	0	0	0	0	0	112.1	T535 E539 D540 V541	T535-A537 PolarHBondContact O-N 3.34Å; A537-E539 VanDerWaalsContact C-N 3.34Å; A537-D540 PolarHBondContact O-N 3.39Å; A537-V541 WeakPolarHBondContact O-CG2 3.46Å; A537-V541 PolarHBondContact O-N 2.81Å
538	D	86.7	Confident	86.7	Confident	9 Å²	9	55 Å²	55	5%	0.048	28%	0.278	C	S	.	.	H	α-helix	trans	-65.7	-36.7	173.9	-64.7	-58.6	0	0	0	111.9	L508 K528 F534 T535 R536 D540 V541 A542	L508-D538 HydrophobicContact CD2-CB 4.04Å; K528-D538 IonicContact NZ-OD1 3.89Å; K528-D538 PolarHBondContact NZ-OD1 3.16Å; K528-D538 IonicContact NZ-OD2 3.54Å; K528-D538 PolarHBondContact NZ-OD2 3.02Å; F534-D538 HydrophobicContact CB-CB 4.15Å; F534-D538 HydrophobicContact CD1-CB 4.2Å; T535-D538 PolarHBondContact N-OD2 3.34Å; T535-D538 WeakPolarHBondContact O-CB 3.24Å; T535-D538 PolarHBondContact O-N 2.95Å; T535-D538 VanDerWaalsContact O-N 3.08Å; T535-D538 PolarHBondContact OG1-N 3.04Å; T535-D538 PolarHBondContact OG1-OD2 3.47Å; R536-D538 VanDerWaalsContact C-N 3.25Å; R536-D538 PolarHBondContact O-N 3.16Å; D538-D540 VanDerWaalsContact C-N 3.34Å; D538-V541 PolarHBondContact O-N 2.85Å; D538-A542 VanDerWaalsContact O-CB 3.28Å; D538-A542 WeakPolarHBondContact O-CB 3.38Å; D538-A542 PolarHBondContact O-N 2.89Å
539	E	90.5	Very high	86.8	Confident	40 Å²	40	53.9 Å²	53.9	19%	0.187	27%	0.273	C	S	.	.	H	α-helix	trans	-62.4	-41.9	174.6	-57.8	-177.9	-171.1	0	0	111.6	L480 N482 L508 T535 R536 A537 A542 K543	L480-E539 HydrophobicContact CD1-CB 4.03Å; L480-E539 HydrophobicContact CD1-CG 4.4Å; L480-E539 HydrophobicContact CD2-CB 4.22Å; L480-E539 HydrophobicContact CD2-CG 3.8Å; N482-E539 HydrophobicContact CB-CG 4.42Å; N482-E539 VanDerWaalsContact CB-OE1 3.23Å; N482-E539 WeakPolarHBondContact CB-OE1 3.28Å; N482-E539 PolarHBondContact ND2-OE1 3.43Å; L508-E539 HydrophobicContact CD1-CG 4.01Å; T535-E539 PolarHBondContact O-N 2.86Å; R536-E539 VanDerWaalsContact O-CB 3.32Å; R536-E539 WeakPolarHBondContact O-CB 3.42Å; R536-E539 PolarHBondContact O-N 3.41Å; A537-E539 VanDerWaalsContact C-N 3.34Å; E539-A542 PolarHBondContact O-N 2.83Å; E539-K543 WeakPolarHBondContact O-CB 3.4Å; E539-K543 VanDerWaalsContact O-CG 3.29Å; E539-K543 WeakPolarHBondContact O-CG 3.43Å; E539-K543 PolarHBondContact O-N 2.89Å
540	D	86.4	Confident	87.1	Confident	79 Å²	79	50.5 Å²	50.5	42%	0.422	26%	0.256	S	S	.	.	H	α-helix	trans	-69.5	-38.5	179.9	-66.5	-26.8	0	0	0	112.2	R536 A537 D538 K543 T544	R536-D540 PolarHBondContact O-N 3.1Å; R536-D540 VanDerWaalsContact O-N 3.09Å; A537-D540 PolarHBondContact O-N 3.39Å; D538-D540 VanDerWaalsContact C-N 3.34Å; D540-K543 IonicContact OD1-NZ 2.79Å; D540-T544 PolarHBondContact O-N 3.11Å; D540-T544 PolarHBondContact O-OG1 3.36Å
541	V	88.2	Confident	87.5	Confident	17 Å²	17	49 Å²	49	10%	0.103	25%	0.248	C	C	.	.	H	α-helix	trans	-59.9	-48.9	169.6	175.6	0	0	0	0	110	L412 T413 A537 D538 K543 T544 F545	L412-V541 HydrophobicContact CB-CG1 3.91Å; L412-V541 HydrophobicContact CD1-CG1 4.13Å; L412-V541 HydrophobicContact CD2-CG1 4.38Å; L412-V541 HydrophobicContact CG-CG1 4.39Å; T413-V541 HydrophobicContact CG2-CG1 4.3Å; A537-V541 WeakPolarHBondContact O-CG2 3.46Å; A537-V541 PolarHBondContact O-N 2.81Å; D538-V541 PolarHBondContact O-N 2.85Å; V541-K543 PolarHBondContact O-N 2.53Å; V541-T544 PolarHBondContact O-N 3.09Å; V541-F545 WeakPolarHBondContact O-CB 3Å; V541-F545 PolarHBondContact O-N 3.15Å
542	A	92.3	Very high	88.4	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-61.6	-42.8	-179.1	0	0	0	0	0	112.4	L480 L508 F510 D538 E539 F545 S546	L480-A542 HydrophobicContact CD1-CB 4.41Å; L508-A542 HydrophobicContact CD2-CB 4.02Å; F510-A542 HydrophobicContact CD1-CB 3.73Å; F510-A542 HydrophobicContact CE1-CB 3.89Å; F510-A542 HydrophobicContact CG-CB 4.05Å; F510-A542 HydrophobicContact CZ-CB 4.33Å; D538-A542 VanDerWaalsContact O-CB 3.28Å; D538-A542 WeakPolarHBondContact O-CB 3.38Å; D538-A542 PolarHBondContact O-N 2.89Å; E539-A542 PolarHBondContact O-N 2.83Å; A542-F545 PolarHBondContact O-N 2.79Å; A542-S546 WeakPolarHBondContact O-CB 3.33Å; A542-S546 PolarHBondContact O-N 3.38Å
543	K	91.1	Very high	89.1	Confident	97 Å²	97	43.1 Å²	43.1	42%	0.422	21%	0.213	S	C	.	.	H	α-helix	trans	-59.7	-49	174.8	-75	169.2	-169.5	161.5	0	111.3	L480 E539 D540 V541 F545 S546	L480-K543 HydrophobicContact CD1-CG 4.14Å; E539-K543 WeakPolarHBondContact O-CB 3.4Å; E539-K543 VanDerWaalsContact O-CG 3.29Å; E539-K543 WeakPolarHBondContact O-CG 3.43Å; E539-K543 PolarHBondContact O-N 2.89Å; D540-K543 IonicContact OD1-NZ 2.79Å; V541-K543 PolarHBondContact O-N 2.53Å; K543-F545 VanDerWaalsContact C-N 3.32Å; K543-F545 PolarHBondContact O-N 2.9Å; K543-S546 WeakPolarHBondContact O-CB 3.28Å; K543-S546 PolarHBondContact O-N 2.85Å; K543-S546 PolarHBondContact O-OG 2.86Å
544	T	89.2	Confident	89.3	Confident	62 Å²	62	42.1 Å²	42.1	38%	0.38	21%	0.211	S	C	.	.	H	α-helix	trans	-64.9	-40.7	179.4	-46.9	0	0	0	0	110.9	M384 D540 V541 S546 I547 Y548	M384-T544 VanDerWaalsContact CE-C 3.46Å; M384-T544 HydrophobicContact CE-CG2 3.72Å; M384-T544 HydrophobicContact CG-CG2 4.46Å; M384-T544 HydrophobicContact SD-CG2 4.49Å; D540-T544 PolarHBondContact O-N 3.11Å; D540-T544 PolarHBondContact O-OG1 3.36Å; V541-T544 PolarHBondContact O-N 3.09Å; T544-S546 VanDerWaalsContact C-N 3.34Å; T544-S546 PolarHBondContact O-N 3.02Å; T544-I547 WeakPolarHBondContact O-CB 3.26Å; T544-I547 PolarHBondContact O-N 3.04Å; T544-Y548 HydrophobicContact CG2-CE2 4.17Å; T544-Y548 WeakPolarHBondContact O-CD2 3.38Å
545	F	91.4	Very high	89.5	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.018	23%	0.23	C	C	.	.	H	α-helix	trans	-64.2	-38.5	178.7	-178.1	-109.3	0	0	0	112.2	M384 V387 I391 I405 E408 A409 L412 F510 V541 A542 K543 I547 Y548 C549	M384-F545 HydrophobicContact CE-CB 3.75Å; M384-F545 HydrophobicContact CE-CD2 4.32Å; V387-F545 HydrophobicContact CG1-CD2 3.72Å; V387-F545 HydrophobicContact CG1-CE2 3.4Å; I391-F545 HydrophobicContact CD1-CD2 4.38Å; I391-F545 HydrophobicContact CD1-CE2 3.4Å; I391-F545 HydrophobicContact CD1-CZ 3.79Å; I405-F545 HydrophobicContact CG2-CE1 3.94Å; I405-F545 HydrophobicContact CG2-CZ 3.94Å; I405-F545 WeakPolarHBondContact O-CZ 3.27Å; E408-F545 HydrophobicContact CB-CE2 4.1Å; E408-F545 HydrophobicContact CB-CZ 4.27Å; A409-F545 HydrophobicContact CB-CD1 4.31Å; A409-F545 HydrophobicContact CB-CE1 3.54Å; A409-F545 HydrophobicContact CB-CZ 3.93Å; L412-F545 HydrophobicContact CD1-CD2 3.59Å; L412-F545 HydrophobicContact CD1-CE2 4.03Å; L412-F545 HydrophobicContact CD1-CG 4.18Å; F510-F545 HydrophobicContact CE2-CD1 4.25Å; F510-F545 AromaticContact CZ-CD1 3.94Å; F510-F545 HydrophobicContact CZ-CD1 3.94Å; F510-F545 HydrophobicContact CZ-CE1 4.46Å; V541-F545 WeakPolarHBondContact O-CB 3Å; V541-F545 PolarHBondContact O-N 3.15Å; A542-F545 PolarHBondContact O-N 2.79Å; K543-F545 VanDerWaalsContact C-N 3.32Å; K543-F545 PolarHBondContact O-N 2.9Å; F545-I547 PolarHBondContact O-N 3.36Å; F545-I547 VanDerWaalsContact O-N 3.17Å; F545-Y548 PolarHBondContact O-N 3.45Å; F545-Y548 VanDerWaalsContact O-N 3.09Å; F545-C549 VanDerWaalsContact CD1-SG 3.55Å; F545-C549 WeakPolarHBondContact CE1-SG 3.45Å; F545-C549 WeakPolarHBondContact CZ-SG 3.3Å; F545-C549 PolarHBondContact O-N 3.23Å; F545-C549 PolarHBondContact O-SG 3.31Å; F545-C549 VanDerWaalsContact O-SG 3.33Å
546	S	93.6	Very high	90	Very high	13 Å²	13	44.3 Å²	44.3	9%	0.091	22%	0.219	C	C	.	.	H	α-helix	trans	-56	-33.3	178.2	79.6	0	0	0	0	113.2	P511 A542 K543 T544 C549 C550	P511-S546 WeakPolarHBondContact O-CB 3.42Å; A542-S546 WeakPolarHBondContact O-CB 3.33Å; A542-S546 PolarHBondContact O-N 3.38Å; K543-S546 WeakPolarHBondContact O-CB 3.28Å; K543-S546 PolarHBondContact O-N 2.85Å; K543-S546 PolarHBondContact O-OG 2.86Å; T544-S546 VanDerWaalsContact C-N 3.34Å; T544-S546 PolarHBondContact O-N 3.02Å; S546-C549 PolarHBondContact O-N 3.45Å; S546-C550 WeakPolarHBondContact O-CB 3.49Å; S546-C550 PolarHBondContact O-N 3.44Å
547	I	91.4	Very high	90.5	Very high	98 Å²	98	37.9 Å²	37.9	50%	0.503	20%	0.198	S	C	.	.	H	α-helix	trans	-66.1	-48.3	178.3	-59.9	171.9	0	0	0	110	T544 F545 C549 C550 I551	T544-I547 WeakPolarHBondContact O-CB 3.26Å; T544-I547 PolarHBondContact O-N 3.04Å; F545-I547 PolarHBondContact O-N 3.36Å; F545-I547 VanDerWaalsContact O-N 3.17Å; I547-C549 VanDerWaalsContact C-N 3.35Å; I547-C549 PolarHBondContact O-N 3.5Å; I547-C550 PolarHBondContact O-N 2.83Å; I547-I551 HydrophobicContact CG2-CD1 4.17Å; I547-I551 WeakPolarHBondContact O-CG1 3.34Å; I547-I551 PolarHBondContact O-N 2.96Å; I547-I551 VanDerWaalsContact O-N 3.12Å
548	Y	91.6	Very high	91	Very high	60 Å²	60	41.8 Å²	41.8	24%	0.235	21%	0.212	C	C	.	.	H	α-helix	trans	-64.7	-39.7	177.8	-63.5	-68.4	0	0	0	111.9	M384 A388 F392 T544 F545 S552	M384-Y548 HydrophobicContact CE-CD2 3.5Å; M384-Y548 VanDerWaalsContact CE-CD2 3.5Å; M384-Y548 HydrophobicContact CE-CE2 3.49Å; M384-Y548 VanDerWaalsContact CE-CE2 3.49Å; M384-Y548 HydrophobicContact CG-CD2 4.45Å; M384-Y548 HydrophobicContact CG-CE2 3.66Å; M384-Y548 HydrophobicContact SD-CE2 4.44Å; A388-Y548 HydrophobicContact CB-CD1 3.83Å; A388-Y548 HydrophobicContact CB-CE1 3.89Å; A388-Y548 HydrophobicContact CB-CG 4.27Å; F392-Y548 HydrophobicContact CE2-CD1 4.38Å; F392-Y548 AromaticContact CZ-CD1 3.83Å; F392-Y548 HydrophobicContact CZ-CD1 3.83Å; T544-Y548 HydrophobicContact CG2-CE2 4.17Å; T544-Y548 WeakPolarHBondContact O-CD2 3.38Å; F545-Y548 PolarHBondContact O-N 3.45Å; F545-Y548 VanDerWaalsContact O-N 3.09Å; Y548-S552 WeakPolarHBondContact O-CB 3.03Å; Y548-S552 PolarHBondContact O-N 3.31Å; Y548-S552 VanDerWaalsContact O-N 3.13Å; Y548-S552 PolarHBondContact O-OG 3.09Å
549	C	93	Very high	91.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.8	-46.5	173.2	-64.3	0	0	0	0	111.6	I405 I512 F545 S546 I547 S552 I553	I405-C549 HydrophobicContact CD1-CB 4.16Å; I405-C549 VanDerWaalsContact CG2-SG 3.56Å; I512-C549 HydrophobicContact CD1-CB 4.07Å; I512-C549 HydrophobicContact CG1-CB 4.38Å; I512-C549 HydrophobicContact CG2-CB 4.26Å; F545-C549 VanDerWaalsContact CD1-SG 3.55Å; F545-C549 WeakPolarHBondContact CE1-SG 3.45Å; F545-C549 WeakPolarHBondContact CZ-SG 3.3Å; F545-C549 PolarHBondContact O-N 3.23Å; F545-C549 PolarHBondContact O-SG 3.31Å; F545-C549 VanDerWaalsContact O-SG 3.33Å; S546-C549 PolarHBondContact O-N 3.45Å; I547-C549 VanDerWaalsContact C-N 3.35Å; I547-C549 PolarHBondContact O-N 3.5Å; C549-S552 PolarHBondContact O-N 2.9Å; C549-I553 HydrophobicContact CB-CD1 4.28Å; C549-I553 WeakPolarHBondContact O-CB 3.49Å; C549-I553 WeakPolarHBondContact O-CD1 3.37Å; C549-I553 VanDerWaalsContact O-CG1 3.23Å; C549-I553 WeakPolarHBondContact O-CG1 3.45Å; C549-I553 PolarHBondContact O-N 2.82Å
550	C	93.6	Very high	91	Very high	7 Å²	7	48 Å²	48	5%	0.047	24%	0.236	C	C	.	.	H	α-helix	trans	-58.4	-53.8	-178.9	-177.6	0	0	0	0	111.4	I512 K513 N514 S546 I547 S552 I553 V554	I512-C550 VanDerWaalsContact CG2-CA 3.42Å; I512-C550 HydrophobicContact CG2-CB 3.6Å; K513-C550 PolarHBondContact O-SG 3.35Å; N514-C550 VanDerWaalsContact CA-SG 3.57Å; N514-C550 PolarHBondContact N-SG 3.22Å; S546-C550 WeakPolarHBondContact O-CB 3.49Å; S546-C550 PolarHBondContact O-N 3.44Å; I547-C550 PolarHBondContact O-N 2.83Å; C550-S552 PolarHBondContact O-N 2.74Å; C550-I553 PolarHBondContact O-N 3.44Å; C550-V554 WeakPolarHBondContact O-CB 3.29Å; C550-V554 VanDerWaalsContact O-CG2 3.27Å; C550-V554 WeakPolarHBondContact O-CG2 3.35Å; C550-V554 PolarHBondContact O-N 3.21Å
551	I	91.8	Very high	91.1	Very high	94 Å²	94	49.1 Å²	49.1	48%	0.482	24%	0.242	S	C	.	.	H	α-helix	trans	-56.6	-44.3	-179.4	-65.2	167.6	0	0	0	110.3	F392 I547 H555	F392-I551 HydrophobicContact CE1-CG2 4.42Å; I547-I551 HydrophobicContact CG2-CD1 4.17Å; I547-I551 WeakPolarHBondContact O-CG1 3.34Å; I547-I551 PolarHBondContact O-N 2.96Å; I547-I551 VanDerWaalsContact O-N 3.12Å; I551-H555 VanDerWaalsContact O-CB 3.29Å; I551-H555 WeakPolarHBondContact O-CB 3.09Å; I551-H555 PolarHBondContact O-N 3.29Å
552	S	93.3	Very high	91	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-69.4	-43.7	-176.7	-50.9	0	0	0	0	112.5	I391 F392 L401 Y548 C549 C550 S556	I391-S552 WeakPolarHBondContact CG2-OG 3.5Å; F392-S552 VanDerWaalsContact CD1-OG 3.23Å; F392-S552 WeakPolarHBondContact CD1-OG 3.13Å; F392-S552 WeakPolarHBondContact CE1-OG 3.5Å; L401-S552 VanDerWaalsContact CD2-O 3.28Å; L401-S552 WeakPolarHBondContact CD2-O 3.18Å; Y548-S552 WeakPolarHBondContact O-CB 3.03Å; Y548-S552 PolarHBondContact O-N 3.31Å; Y548-S552 VanDerWaalsContact O-N 3.13Å; Y548-S552 PolarHBondContact O-OG 3.09Å; C549-S552 PolarHBondContact O-N 2.9Å; C550-S552 PolarHBondContact O-N 2.74Å; S552-S556 WeakPolarHBondContact O-CB 3.36Å; S552-S556 PolarHBondContact O-N 3.21Å
553	I	92.9	Very high	90.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-66.9	-47.1	180	-70.4	163.4	0	0	0	110	L398 L401 L402 I405 L422 I512 V520 C549 C550 H555 S556 L557	L398-I553 HydrophobicContact CD1-CG2 4.45Å; L401-I553 HydrophobicContact CD2-CG1 4.22Å; L402-I553 HydrophobicContact CD2-CD1 4.21Å; L402-I553 HydrophobicContact CD2-CG1 4.32Å; I405-I553 HydrophobicContact CD1-CD1 3.82Å; I405-I553 HydrophobicContact CD1-CG1 3.78Å; L422-I553 HydrophobicContact CD1-CG2 4.31Å; L422-I553 HydrophobicContact CD2-CD1 4.03Å; L422-I553 HydrophobicContact CD2-CG2 3.82Å; I512-I553 HydrophobicContact CD1-CD1 3.85Å; I512-I553 HydrophobicContact CG2-CD1 4.31Å; V520-I553 HydrophobicContact CG1-CG2 3.77Å; C549-I553 HydrophobicContact CB-CD1 4.28Å; C549-I553 WeakPolarHBondContact O-CB 3.49Å; C549-I553 WeakPolarHBondContact O-CD1 3.37Å; C549-I553 VanDerWaalsContact O-CG1 3.23Å; C549-I553 WeakPolarHBondContact O-CG1 3.45Å; C549-I553 PolarHBondContact O-N 2.82Å; C550-I553 PolarHBondContact O-N 3.44Å; I553-H555 VanDerWaalsContact C-N 3.34Å; I553-H555 PolarHBondContact O-N 3.04Å; I553-S556 PolarHBondContact O-N 2.72Å; I553-L557 HydrophobicContact CG2-CD1 3.82Å; I553-L557 HydrophobicContact CG2-CG 4.34Å; I553-L557 WeakPolarHBondContact O-CB 3.37Å; I553-L557 WeakPolarHBondContact O-CG 3.39Å; I553-L557 PolarHBondContact O-N 3.44Å
554	V	91.1	Very high	90.5	Very high	32 Å²	32	53.7 Å²	53.7	19%	0.194	27%	0.271	C	S	.	.	H	α-helix	trans	-58.9	-47	177.5	171.1	0	0	0	0	110.3	V520 C550 S556 L557 M558	V520-V554 HydrophobicContact CG1-CG2 4.21Å; V520-V554 HydrophobicContact CG2-CG2 3.83Å; C550-V554 WeakPolarHBondContact O-CB 3.29Å; C550-V554 VanDerWaalsContact O-CG2 3.27Å; C550-V554 WeakPolarHBondContact O-CG2 3.35Å; C550-V554 PolarHBondContact O-N 3.21Å; V554-S556 PolarHBondContact O-N 3.43Å; V554-L557 PolarHBondContact O-N 2.65Å; V554-M558 HydrophobicContact CG1-CG 4.29Å; V554-M558 HydrophobicContact CG1-SD 3.98Å; V554-M558 WeakPolarHBondContact O-CB 3.16Å; V554-M558 VanDerWaalsContact O-CG 3.27Å; V554-M558 WeakPolarHBondContact O-CG 3.05Å; V554-M558 PolarHBondContact O-N 2.68Å
555	H	91.7	Very high	90.2	Very high	85 Å²	85	52.7 Å²	52.7	39%	0.394	27%	0.268	S	S	.	.	H	α-helix	trans	-59.6	-45.5	176.5	-178.1	-167.1	0	0	0	111.8	M395 I551 I553 L557 M558 Y559	M395-H555 WeakPolarHBondContact CE-ND1 3.46Å; M395-H555 HydrophobicContact SD-CB 4.27Å; M395-H555 PolarHBondContact SD-ND1 3.4Å; I551-H555 VanDerWaalsContact O-CB 3.29Å; I551-H555 WeakPolarHBondContact O-CB 3.09Å; I551-H555 PolarHBondContact O-N 3.29Å; I553-H555 VanDerWaalsContact C-N 3.34Å; I553-H555 PolarHBondContact O-N 3.04Å; H555-L557 PolarHBondContact O-N 2.83Å; H555-M558 PolarHBondContact O-N 3.35Å; H555-Y559 VanDerWaalsContact O-CB 3.29Å; H555-Y559 WeakPolarHBondContact O-CB 3.33Å; H555-Y559 PolarHBondContact O-N 2.93Å
556	S	91.9	Very high	89.7	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.021	30%	0.295	C	S	.	.	H	α-helix	trans	-63	-41.6	179.7	-163.8	0	0	0	0	112.9	M395 L398 S552 I553 V554 Y559 K560	M395-S556 WeakPolarHBondContact O-CA 3.37Å; M395-S556 WeakPolarHBondContact O-CB 3.43Å; M395-S556 PolarHBondContact O-OG 2.62Å; L398-S556 WeakPolarHBondContact CA-OG 2.97Å; L398-S556 PolarHBondContact N-OG 2.59Å; S552-S556 WeakPolarHBondContact O-CB 3.36Å; S552-S556 PolarHBondContact O-N 3.21Å; I553-S556 PolarHBondContact O-N 2.72Å; V554-S556 PolarHBondContact O-N 3.43Å; S556-Y559 PolarHBondContact O-N 3.34Å; S556-K560 PolarHBondContact O-N 3.33Å; S556-K560 VanDerWaalsContact O-N 3.09Å
557	L	90.1	Very high	89.1	Confident	57 Å²	57	63.3 Å²	63.3	30%	0.298	32%	0.317	S	S	.	.	H	α-helix	trans	-64.6	-45.5	174.8	-70.2	171.4	0	0	0	111.7	L398 I553 V554 H555 K560 N561	L398-L557 HydrophobicContact CD1-CD2 4.42Å; L398-L557 HydrophobicContact CD1-CG 4.46Å; L398-L557 HydrophobicContact CD2-CD2 3.73Å; I553-L557 HydrophobicContact CG2-CD1 3.82Å; I553-L557 HydrophobicContact CG2-CG 4.34Å; I553-L557 WeakPolarHBondContact O-CB 3.37Å; I553-L557 WeakPolarHBondContact O-CG 3.39Å; I553-L557 PolarHBondContact O-N 3.44Å; V554-L557 PolarHBondContact O-N 2.65Å; H555-L557 PolarHBondContact O-N 2.83Å; L557-K560 PolarHBondContact O-N 3.21Å; L557-N561 VanDerWaalsContact O-CG 3.31Å; L557-N561 PolarHBondContact O-N 2.99Å
558	M	89.2	Confident	88.6	Confident	120 Å²	120	66.7 Å²	66.7	59%	0.591	32%	0.323	S	S	*	.	H	α-helix	trans	-62.6	-43.2	177	-72	-173.6	81.9	0	0	111.9	V554 H555 K560 N561 V562	V554-M558 HydrophobicContact CG1-CG 4.29Å; V554-M558 HydrophobicContact CG1-SD 3.98Å; V554-M558 WeakPolarHBondContact O-CB 3.16Å; V554-M558 VanDerWaalsContact O-CG 3.27Å; V554-M558 WeakPolarHBondContact O-CG 3.05Å; V554-M558 PolarHBondContact O-N 2.68Å; H555-M558 PolarHBondContact O-N 3.35Å; M558-K560 VanDerWaalsContact C-N 3.34Å; M558-K560 PolarHBondContact O-N 2.85Å; M558-N561 PolarHBondContact O-N 3.22Å; M558-V562 WeakPolarHBondContact O-CG2 3.48Å; M558-V562 PolarHBondContact O-N 2.71Å
559	Y	90.5	Very high	87.8	Confident	79 Å²	79	67.6 Å²	67.6	31%	0.31	34%	0.335	S	S	.	.	H	α-helix	trans	-58.9	-46.3	177.9	-178.5	-99.5	0	0	0	111.3	M396 H555 S556 V562 Q563	M396-Y559 HydrophobicContact CB-CD1 4.47Å; M396-Y559 HydrophobicContact CB-CE1 4.08Å; M396-Y559 HydrophobicContact CG-CE1 4.26Å; H555-Y559 VanDerWaalsContact O-CB 3.29Å; H555-Y559 WeakPolarHBondContact O-CB 3.33Å; H555-Y559 PolarHBondContact O-N 2.93Å; S556-Y559 PolarHBondContact O-N 3.34Å; Y559-V562 PolarHBondContact O-N 3.45Å; Y559-Q563 VanDerWaalsContact CE1-CD 3.5Å; Y559-Q563 HydrophobicContact CE1-CG 4.14Å; Y559-Q563 VanDerWaalsContact CE1-NE2 3.27Å; Y559-Q563 VanDerWaalsContact CZ-NE2 3.31Å; Y559-Q563 PolarHBondContact O-N 3.2Å; Y559-Q563 PolarHBondContact OH-NE2 3.03Å
560	K	87.2	Confident	87.1	Confident	100 Å²	100	73.9 Å²	73.9	44%	0.435	36%	0.362	S	S	.	.	H	α-helix	trans	-59.9	-46.8	174.8	-177.3	175.6	178.9	177.7	0	112	S556 L557 M558 V562 Q563 D564	S556-K560 PolarHBondContact O-N 3.33Å; S556-K560 VanDerWaalsContact O-N 3.09Å; L557-K560 PolarHBondContact O-N 3.21Å; M558-K560 VanDerWaalsContact C-N 3.34Å; M558-K560 PolarHBondContact O-N 2.85Å; K560-V562 VanDerWaalsContact C-N 3.29Å; K560-V562 PolarHBondContact O-N 3.23Å; K560-Q563 PolarHBondContact O-N 2.97Å; K560-D564 PolarHBondContact O-N 2.97Å
561	N	87.4	Confident	86.4	Confident	103 Å²	103	78.3 Å²	78.3	55%	0.551	39%	0.385	S	S	*	.	H	α-helix	trans	-60.3	-39	179.5	-72	-12.3	0	0	0	112.3	L557 M558 A565	L557-N561 VanDerWaalsContact O-CG 3.31Å; L557-N561 PolarHBondContact O-N 2.99Å; M558-N561 PolarHBondContact O-N 3.22Å; N561-A565 WeakPolarHBondContact O-CB 3.35Å; N561-A565 PolarHBondContact O-N 3.17Å
562	V	87.2	Confident	85.5	Confident	79 Å²	79	76 Å²	76	48%	0.479	38%	0.38	S	S	.	.	H	α-helix	trans	-65.6	-44.8	175.4	171.5	0	0	0	0	111.1	M558 Y559 K560 A565 Q566	M558-V562 WeakPolarHBondContact O-CG2 3.48Å; M558-V562 PolarHBondContact O-N 2.71Å; Y559-V562 PolarHBondContact O-N 3.45Å; K560-V562 VanDerWaalsContact C-N 3.29Å; K560-V562 PolarHBondContact O-N 3.23Å; V562-A565 PolarHBondContact O-N 3.33Å; V562-Q566 HydrophobicContact CG1-CG 4.44Å; V562-Q566 WeakPolarHBondContact O-CB 3.29Å; V562-Q566 WeakPolarHBondContact O-CG 3.49Å; V562-Q566 PolarHBondContact O-N 3.37Å
563	Q	86.6	Confident	84.5	Confident	68 Å²	68	80.1 Å²	80.1	32%	0.318	40%	0.402	S	S	.	.	H	α-helix	trans	-61.2	-45.8	176	-73.7	-167.2	-25.6	0	0	112.2	Y559 K560 A565 Q566 H567	Y559-Q563 VanDerWaalsContact CE1-CD 3.5Å; Y559-Q563 HydrophobicContact CE1-CG 4.14Å; Y559-Q563 VanDerWaalsContact CE1-NE2 3.27Å; Y559-Q563 VanDerWaalsContact CZ-NE2 3.31Å; Y559-Q563 PolarHBondContact O-N 3.2Å; Y559-Q563 PolarHBondContact OH-NE2 3.03Å; K560-Q563 PolarHBondContact O-N 2.97Å; Q563-A565 VanDerWaalsContact C-N 3.3Å; Q563-A565 PolarHBondContact O-N 3.35Å; Q563-Q566 PolarHBondContact O-N 3.45Å; Q563-H567 VanDerWaalsContact O-CG 3.29Å; Q563-H567 PolarHBondContact O-N 2.85Å; Q563-H567 PolarHBondContact O-ND1 3.22Å
564	D	86.6	Confident	83.6	Confident	64 Å²	64	85.3 Å²	85.3	34%	0.342	43%	0.426	S	S	.	.	H	α-helix	trans	-64	-35.5	178.3	-71.6	-19.2	0	0	0	111.7	K560 R568	K560-D564 PolarHBondContact O-N 2.97Å; D564-R568 WeakPolarHBondContact O-CB 3.37Å; D564-R568 VanDerWaalsContact O-CG 3.3Å; D564-R568 WeakPolarHBondContact O-CG 3.27Å; D564-R568 PolarHBondContact O-N 3.18Å; D564-R568 VanDerWaalsContact O-N 3.13Å; D564-R568 PolarHBondContact O-NE 3.17Å; D564-R568 VanDerWaalsContact O-NE 3.12Å
565	A	82.2	Confident	82.7	Confident	40 Å²	40	88.5 Å²	88.5	33%	0.331	44%	0.441	S	S	.	.	H	α-helix	trans	-68.2	-41.3	172.8	0	0	0	0	0	112.3	N561 V562 Q563 R568 T569	N561-A565 WeakPolarHBondContact O-CB 3.35Å; N561-A565 PolarHBondContact O-N 3.17Å; V562-A565 PolarHBondContact O-N 3.33Å; Q563-A565 VanDerWaalsContact C-N 3.3Å; Q563-A565 PolarHBondContact O-N 3.35Å; A565-R568 PolarHBondContact O-N 2.92Å; A565-T569 WeakPolarHBondContact O-CB 3.36Å; A565-T569 PolarHBondContact O-N 3.23Å; A565-T569 PolarHBondContact O-OG1 3.08Å
566	Q	81.2	Confident	81.9	Confident	121 Å²	121	90 Å²	90	57%	0.565	45%	0.45	S	S	*	.	H	α-helix	trans	-63.9	-44.9	176.1	-76.5	178.2	-14.5	0	0	111.8	V562 Q563 R568 T569 K570	V562-Q566 HydrophobicContact CG1-CG 4.44Å; V562-Q566 WeakPolarHBondContact O-CB 3.29Å; V562-Q566 WeakPolarHBondContact O-CG 3.49Å; V562-Q566 PolarHBondContact O-N 3.37Å; Q563-Q566 PolarHBondContact O-N 3.45Å; Q566-R568 PolarHBondContact O-N 3Å; Q566-T569 PolarHBondContact O-N 2.85Å; Q566-K570 WeakPolarHBondContact O-CB 3.46Å; Q566-K570 PolarHBondContact O-N 3.43Å
567	H	81.6	Confident	81	Confident	120 Å²	120	92.2 Å²	92.2	56%	0.556	46%	0.461	S	S	*	.	H	α-helix	trans	-61.2	-43.9	175.9	-66	152	0	0	0	112	Q563 K570 L571	Q563-H567 VanDerWaalsContact O-CG 3.29Å; Q563-H567 PolarHBondContact O-N 2.85Å; Q563-H567 PolarHBondContact O-ND1 3.22Å; H567-K570 PolarHBondContact O-N 3.1Å; H567-L571 PolarHBondContact O-N 2.65Å
568	R	79.8	Confident	80.2	Confident	168 Å²	168	96.6 Å²	96.6	63%	0.634	47%	0.474	S	S	*	.	H	α-helix	trans	-62	-42.8	174.8	-77.2	-178.6	-74	179.7	-2.7	112.3	D564 A565 Q566 L571 A572	D564-R568 WeakPolarHBondContact O-CB 3.37Å; D564-R568 VanDerWaalsContact O-CG 3.3Å; D564-R568 WeakPolarHBondContact O-CG 3.27Å; D564-R568 PolarHBondContact O-N 3.18Å; D564-R568 VanDerWaalsContact O-N 3.13Å; D564-R568 PolarHBondContact O-NE 3.17Å; D564-R568 VanDerWaalsContact O-NE 3.12Å; A565-R568 PolarHBondContact O-N 2.92Å; Q566-R568 PolarHBondContact O-N 3Å; R568-L571 PolarHBondContact O-N 2.88Å; R568-A572 WeakPolarHBondContact O-CB 3.42Å; R568-A572 PolarHBondContact O-N 3.07Å
569	T	75	Confident	79.5	Confident	79 Å²	79	97.1 Å²	97.1	49%	0.485	48%	0.475	S	S	.	.	H	α-helix	trans	-64.1	-42.6	177.6	-56.9	0	0	0	0	111.2	A565 Q566 A572 N573	A565-T569 WeakPolarHBondContact O-CB 3.36Å; A565-T569 PolarHBondContact O-N 3.23Å; A565-T569 PolarHBondContact O-OG1 3.08Å; Q566-T569 PolarHBondContact O-N 2.85Å; T569-A572 PolarHBondContact O-N 3.11Å; T569-N573 WeakPolarHBondContact O-CB 3.46Å; T569-N573 VanDerWaalsContact O-CG 3.24Å; T569-N573 PolarHBondContact O-N 3Å
570	K	78	Confident	78.9	Confident	133 Å²	133	95.6 Å²	95.6	58%	0.578	47%	0.472	S	S	*	.	H	α-helix	trans	-61	-46.7	176.4	-173.3	178.1	177.7	-178	0	111.7	Q566 H567 N573 E574	Q566-K570 WeakPolarHBondContact O-CB 3.46Å; Q566-K570 PolarHBondContact O-N 3.43Å; H567-K570 PolarHBondContact O-N 3.1Å; K570-N573 PolarHBondContact O-N 3.25Å; K570-E574 WeakPolarHBondContact CE-OE1 3.32Å; K570-E574 WeakPolarHBondContact O-CG 3.41Å; K570-E574 PolarHBondContact O-N 3.4Å
571	L	78.5	Confident	78.5	Confident	99 Å²	99	97.5 Å²	97.5	52%	0.518	48%	0.48	S	S	.	.	H	α-helix	trans	-63.3	-42.2	176.5	-177.4	65.9	0	0	0	112	H567 R568 N573 E574 L575	H567-L571 PolarHBondContact O-N 2.65Å; R568-L571 PolarHBondContact O-N 2.88Å; L571-N573 VanDerWaalsContact C-N 3.33Å; L571-N573 PolarHBondContact O-N 2.85Å; L571-E574 PolarHBondContact O-N 3.07Å; L571-L575 HydrophobicContact CG-CD1 4.31Å; L571-L575 WeakPolarHBondContact O-CG 3.34Å; L571-L575 PolarHBondContact O-N 3.25Å
572	A	73.8	Confident	78.4	Confident	45 Å²	45	93.8 Å²	93.8	37%	0.372	46%	0.461	S	S	.	.	H	α-helix	trans	-60.8	-43.5	175.9	0	0	0	0	0	111.3	R568 T569 L575 M576	R568-A572 WeakPolarHBondContact O-CB 3.42Å; R568-A572 PolarHBondContact O-N 3.07Å; T569-A572 PolarHBondContact O-N 3.11Å; A572-L575 PolarHBondContact O-N 3.04Å; A572-M576 VanDerWaalsContact O-CG 3.28Å; A572-M576 WeakPolarHBondContact O-CG 3.45Å; A572-M576 PolarHBondContact O-N 2.92Å
573	N	71.6	Confident	78.4	Confident	88 Å²	88	94.8 Å²	94.8	47%	0.471	46%	0.463	S	S	.	.	H	α-helix	trans	-62.5	-44	175	-71.8	-13.6	0	0	0	111.5	T569 K570 L571 L575 M576 M577	T569-N573 WeakPolarHBondContact O-CB 3.46Å; T569-N573 VanDerWaalsContact O-CG 3.24Å; T569-N573 PolarHBondContact O-N 3Å; K570-N573 PolarHBondContact O-N 3.25Å; L571-N573 VanDerWaalsContact C-N 3.33Å; L571-N573 PolarHBondContact O-N 2.85Å; N573-L575 VanDerWaalsContact C-N 3.34Å; N573-L575 PolarHBondContact O-N 2.76Å; N573-M576 PolarHBondContact O-N 3.14Å; N573-M577 WeakPolarHBondContact O-CB 3.36Å; N573-M577 VanDerWaalsContact O-CG 3.23Å; N573-M577 WeakPolarHBondContact O-CG 3.48Å; N573-M577 PolarHBondContact O-N 2.72Å
574	E	74	Confident	78.6	Confident	109 Å²	109	95.7 Å²	95.7	51%	0.509	47%	0.468	S	S	.	.	H	α-helix	trans	-59.2	-43	175.7	-74.3	174.4	-166.9	0	0	112.1	K570 L571 M577 Y578	K570-E574 WeakPolarHBondContact CE-OE1 3.32Å; K570-E574 WeakPolarHBondContact O-CG 3.41Å; K570-E574 PolarHBondContact O-N 3.4Å; L571-E574 PolarHBondContact O-N 3.07Å; E574-M577 PolarHBondContact O-N 3.37Å; E574-Y578 PolarHBondContact O-N 3.23Å
575	L	73.4	Confident	78.9	Confident	98 Å²	98	98.7 Å²	98.7	51%	0.513	48%	0.484	S	S	.	.	H	α-helix	trans	-63.9	-43.5	175.2	-72.5	167.4	0	0	0	112.1	L571 A572 N573 Y578 H579	L571-L575 HydrophobicContact CG-CD1 4.31Å; L571-L575 WeakPolarHBondContact O-CG 3.34Å; L571-L575 PolarHBondContact O-N 3.25Å; A572-L575 PolarHBondContact O-N 3.04Å; N573-L575 VanDerWaalsContact C-N 3.34Å; N573-L575 PolarHBondContact O-N 2.76Å; L575-Y578 WeakPolarHBondContact O-CB 3.28Å; L575-Y578 PolarHBondContact O-N 3.17Å; L575-H579 PolarHBondContact O-CD2 3.35Å; L575-H579 PolarHBondContact O-N 3.11Å
576	M	74.4	Confident	79.3	Confident	117 Å²	117	99.2 Å²	99.2	58%	0.576	48%	0.478	S	S	*	.	H	α-helix	trans	-62.5	-44.2	176.2	-71.5	177	71.2	0	0	111.2	A572 N573 Y578 H579 M580	A572-M576 VanDerWaalsContact O-CG 3.28Å; A572-M576 WeakPolarHBondContact O-CG 3.45Å; A572-M576 PolarHBondContact O-N 2.92Å; N573-M576 PolarHBondContact O-N 3.14Å; M576-Y578 VanDerWaalsContact C-N 3.31Å; M576-Y578 PolarHBondContact O-N 2.91Å; M576-H579 CarbonylContact O-C 3.57Å; M576-H579 PolarHBondContact O-N 2.88Å; M576-H579 VanDerWaalsContact O-N 3.11Å; M576-M580 WeakPolarHBondContact O-CG 3.37Å; M576-M580 PolarHBondContact O-N 3.43Å
577	M	73.1	Confident	79.8	Confident	50 Å²	50	94 Å²	94	25%	0.246	45%	0.454	C	S	.	.	H	α-helix	trans	-63	-35.6	177.5	-70.8	-53.2	-65.3	0	0	112.6	N573 E574 H579 M580 K581 M651 T747	N573-M577 WeakPolarHBondContact O-CB 3.36Å; N573-M577 VanDerWaalsContact O-CG 3.23Å; N573-M577 WeakPolarHBondContact O-CG 3.48Å; N573-M577 PolarHBondContact O-N 2.72Å; E574-M577 PolarHBondContact O-N 3.37Å; M577-H579 VanDerWaalsContact C-N 3.3Å; M577-H579 PolarHBondContact O-N 2.85Å; M577-M580 PolarHBondContact O-N 2.94Å; M577-M580 HydrophobicContact SD-SD 4.49Å; M577-K581 PolarHBondContact O-N 2.74Å; M577-M651 HydrophobicContact CE-CE 3.76Å; M577-T747 HydrophobicContact CE-CG2 3.41Å; M577-T747 VanDerWaalsContact CE-CG2 3.41Å; M577-T747 WeakPolarHBondContact CE-OG1 3.45Å
578	Y	73.1	Confident	80.4	Confident	148 Å²	148	91 Å²	91	58%	0.58	44%	0.442	S	S	*	.	H	α-helix	trans	-59.1	-41	173.2	-178.8	-93.9	0	0	0	112.1	E574 L575 M576 K581	E574-Y578 PolarHBondContact O-N 3.23Å; L575-Y578 WeakPolarHBondContact O-CB 3.28Å; L575-Y578 PolarHBondContact O-N 3.17Å; M576-Y578 VanDerWaalsContact C-N 3.31Å; M576-Y578 PolarHBondContact O-N 2.91Å; Y578-K581 HydrophobicContact CD2-CD 4.47Å; Y578-K581 WeakPolarHBondContact O-CG 3.27Å
579	H	73.5	Confident	81.1	Confident	132 Å²	132	88.2 Å²	88.2	61%	0.611	43%	0.432	S	S	*	.	H	α-helix	trans	-81.6	-13	177.7	-67.2	-62.7	0	0	0	114.3	L575 M576 M577	L575-H579 PolarHBondContact O-CD2 3.35Å; L575-H579 PolarHBondContact O-N 3.11Å; M576-H579 CarbonylContact O-C 3.57Å; M576-H579 PolarHBondContact O-N 2.88Å; M576-H579 VanDerWaalsContact O-N 3.11Å; M577-H579 VanDerWaalsContact C-N 3.3Å; M577-H579 PolarHBondContact O-N 2.85Å
580	M	78.8	Confident	82.1	Confident	47 Å²	47	84.5 Å²	84.5	23%	0.232	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-0.1	171.4	-70.7	-171.3	70.6	0	0	113.7	M576 M577 V582 M651	M576-M580 WeakPolarHBondContact O-CG 3.37Å; M576-M580 PolarHBondContact O-N 3.43Å; M577-M580 PolarHBondContact O-N 2.94Å; M577-M580 HydrophobicContact SD-SD 4.49Å; M580-V582 PolarHBondContact O-N 2.66Å; M580-M651 HydrophobicContact CB-CE 4.29Å; M580-M651 HydrophobicContact CB-SD 4.32Å; M580-M651 HydrophobicContact CE-SD 4.27Å; M580-M651 VanDerWaalsContact O-SD 3.41Å
581	K	78.4	Confident	82.9	Confident	139 Å²	139	79.3 Å²	79.3	60%	0.604	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-55.1	131.8	177.5	-75.4	-175.3	179.1	-174.6	0	111.6	M577 Y578	M577-K581 PolarHBondContact O-N 2.74Å; Y578-K581 HydrophobicContact CD2-CD 4.47Å; Y578-K581 WeakPolarHBondContact O-CG 3.27Å
582	V	86.1	Confident	83.7	Confident	26 Å²	26	80.1 Å²	80.1	16%	0.158	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-71.5	142.5	173.7	175.2	0	0	0	0	109.3	M580 E584 K587 L650 M651	M580-V582 PolarHBondContact O-N 2.66Å; V582-E584 PolarHBondContact O-N 3.22Å; V582-K587 HydrophobicContact CG1-CB 4.36Å; V582-L650 HydrophobicContact CB-CB 4.26Å; V582-L650 HydrophobicContact CG1-CB 3.37Å; V582-L650 HydrophobicContact CG1-CD1 3.41Å; V582-L650 VanDerWaalsContact CG1-CD1 3.41Å; V582-L650 HydrophobicContact CG1-CG 3.96Å; V582-L650 HydrophobicContact CG2-CB 3.82Å; V582-M651 HydrophobicContact CG2-CB 4.12Å; V582-M651 HydrophobicContact CG2-SD 4.32Å
583	D	87.6	Confident	84.6	Confident	99 Å²	99	79.1 Å²	79.1	53%	0.529	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-55.9	119.2	171.8	-178	-50.3	0	0	0	110.6	D585 K586 K587	D583-D585 VanDerWaalsContact C-N 3.34Å; D583-D585 PolarHBondContact O-N 2.89Å; D583-D585 WeakPolarHBondContact OD1-CA 3.3Å; D583-D585 WeakPolarHBondContact OD1-CB 3.45Å; D583-D585 PolarHBondContact OD1-N 3.38Å; D583-K586 HydrophobicContact CB-CB 3.85Å; D583-K586 PolarHBondContact O-N 3.48Å; D583-K586 PolarHBondContact OD1-N 3.4Å; D583-K587 PolarHBondContact O-N 3.13Å
584	E	89.3	Confident	85.7	Confident	88 Å²	88	82.3 Å²	82.3	41%	0.411	40%	0.4	S	S	.	.	H	α-helix	trans	-66.6	-35	-173.2	-167.5	65.7	-162.1	0	0	112	V582 K587 N588 R643	V582-E584 PolarHBondContact O-N 3.22Å; E584-K587 VanDerWaalsContact CD-CE 3.41Å; E584-K587 PolarHBondContact O-N 3.05Å; E584-K587 WeakPolarHBondContact OE1-CE 3.5Å; E584-K587 IonicContact OE1-NZ 3.72Å; E584-K587 PolarHBondContact OE1-NZ 3.46Å; E584-K587 VanDerWaalsContact OE2-CE 3.28Å; E584-K587 WeakPolarHBondContact OE2-CE 3.5Å; E584-K587 IonicContact OE2-NZ 3.29Å; E584-K587 PolarHBondContact OE2-NZ 3.36Å; E584-N588 WeakPolarHBondContact O-CB 3.41Å; E584-N588 PolarHBondContact O-N 2.81Å; E584-N588 PolarHBondContact O-ND2 2.68Å; E584-N588 VanDerWaalsContact O-ND2 3.13Å; E584-R643 IonicContact OE1-NH2 2.64Å; E584-R643 PolarHBondContact OE1-NH2 3.44Å
585	D	92.7	Very high	86.7	Confident	126 Å²	126	79.1 Å²	79.1	67%	0.674	39%	0.386	S	S	*	.	H	α-helix	trans	-68.1	-42.9	176.8	-68.1	-28.6	0	0	0	110	D583 K587 N588 W589	D583-D585 VanDerWaalsContact C-N 3.34Å; D583-D585 PolarHBondContact O-N 2.89Å; D583-D585 WeakPolarHBondContact OD1-CA 3.3Å; D583-D585 WeakPolarHBondContact OD1-CB 3.45Å; D583-D585 PolarHBondContact OD1-N 3.38Å; D585-K587 VanDerWaalsContact C-N 3.34Å; D585-K587 PolarHBondContact O-N 3.01Å; D585-N588 PolarHBondContact O-N 3.42Å; D585-W589 VanDerWaalsContact O-CB 3.29Å; D585-W589 WeakPolarHBondContact O-CB 3.49Å; D585-W589 PolarHBondContact O-N 3.08Å
586	K	90.7	Very high	87.7	Confident	51 Å²	51	79.4 Å²	79.4	22%	0.222	38%	0.383	C	S	.	.	H	α-helix	trans	-63.3	-38.9	174.7	-162.4	172.8	-170.9	174	0	112	D583 W589 L590 N619 L650	D583-K586 HydrophobicContact CB-CB 3.85Å; D583-K586 PolarHBondContact O-N 3.48Å; D583-K586 PolarHBondContact OD1-N 3.4Å; K586-W589 HydrophobicContact CG-CE3 4.16Å; K586-W589 HydrophobicContact CG-CZ3 4.48Å; K586-L590 WeakPolarHBondContact O-CB 3.44Å; K586-L590 PolarHBondContact O-N 3.44Å; K586-N619 PolarHBondContact NZ-OD1 2.96Å; K586-L650 HydrophobicContact CB-CD1 4.47Å; K586-L650 HydrophobicContact CD-CD2 3.87Å; K586-L650 HydrophobicContact CG-CD1 4.26Å; K586-L650 HydrophobicContact CG-CD2 4.02Å
587	K	92.4	Very high	88.7	Confident	12 Å²	12	78.3 Å²	78.3	5%	0.052	38%	0.379	C	S	.	.	H	α-helix	trans	-64.3	-47.7	174.4	-173.6	-174.4	76	-167.1	0	111.6	V582 D583 E584 D585 W589 L590 T591 Q647 L650	V582-K587 HydrophobicContact CG1-CB 4.36Å; D583-K587 PolarHBondContact O-N 3.13Å; E584-K587 VanDerWaalsContact CD-CE 3.41Å; E584-K587 PolarHBondContact O-N 3.05Å; E584-K587 WeakPolarHBondContact OE1-CE 3.5Å; E584-K587 IonicContact OE1-NZ 3.72Å; E584-K587 PolarHBondContact OE1-NZ 3.46Å; E584-K587 VanDerWaalsContact OE2-CE 3.28Å; E584-K587 WeakPolarHBondContact OE2-CE 3.5Å; E584-K587 IonicContact OE2-NZ 3.29Å; E584-K587 PolarHBondContact OE2-NZ 3.36Å; D585-K587 VanDerWaalsContact C-N 3.34Å; D585-K587 PolarHBondContact O-N 3.01Å; K587-W589 VanDerWaalsContact C-N 3.31Å; K587-W589 PolarHBondContact O-N 3.02Å; K587-L590 PolarHBondContact O-N 3.02Å; K587-T591 WeakPolarHBondContact O-CB 3.29Å; K587-T591 PolarHBondContact O-N 3.38Å; K587-T591 PolarHBondContact O-OG1 3.41Å; K587-Q647 HydrophobicContact CD-CB 3.94Å; K587-Q647 HydrophobicContact CD-CG 3.89Å; K587-Q647 HydrophobicContact CG-CB 4.31Å; K587-L650 HydrophobicContact CB-CD1 4.14Å
588	N	94.5	Very high	89.6	Confident	58 Å²	58	76 Å²	76	31%	0.31	37%	0.368	S	S	.	.	H	α-helix	trans	-63.7	-39.4	179.3	-72.1	-29	0	0	0	111.4	E584 D585 T591 T592 R643	E584-N588 WeakPolarHBondContact O-CB 3.41Å; E584-N588 PolarHBondContact O-N 2.81Å; E584-N588 PolarHBondContact O-ND2 2.68Å; E584-N588 VanDerWaalsContact O-ND2 3.13Å; D585-N588 PolarHBondContact O-N 3.42Å; N588-T591 PolarHBondContact O-N 2.97Å; N588-T592 PolarHBondContact O-N 2.88Å; N588-T592 VanDerWaalsContact O-N 3.15Å; N588-T592 PolarHBondContact O-OG1 3.3Å; N588-R643 PolarHBondContact OD1-NH1 3.47Å
589	W	94.7	Very high	90.7	Very high	109 Å²	109	72.3 Å²	72.3	41%	0.413	36%	0.358	S	S	.	.	H	α-helix	trans	-60	-54.6	172.9	167.5	69.3	0	0	0	111.8	D585 K586 K587 T591 T592 C593 L623	D585-W589 VanDerWaalsContact O-CB 3.29Å; D585-W589 WeakPolarHBondContact O-CB 3.49Å; D585-W589 PolarHBondContact O-N 3.08Å; K586-W589 HydrophobicContact CG-CE3 4.16Å; K586-W589 HydrophobicContact CG-CZ3 4.48Å; K587-W589 VanDerWaalsContact C-N 3.31Å; K587-W589 PolarHBondContact O-N 3.02Å; W589-T591 PolarHBondContact O-N 2.71Å; W589-T592 PolarHBondContact O-N 3.03Å; W589-T592 PolarHBondContact O-OG1 3.24Å; W589-C593 WeakPolarHBondContact O-CB 3.46Å; W589-C593 PolarHBondContact O-N 3.2Å; W589-L623 HydrophobicContact CH2-CD1 4.01Å; W589-L623 HydrophobicContact CH2-CD2 3.91Å; W589-L623 HydrophobicContact CH2-CG 3.89Å; W589-L623 HydrophobicContact CZ2-CD1 3.92Å; W589-L623 HydrophobicContact CZ2-CD2 3.92Å; W589-L623 HydrophobicContact CZ2-CG 4.15Å
590	L	94.7	Very high	91.6	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-66	-27.6	-178.4	-171.5	64.8	0	0	0	112.7	K586 K587 C593 L623 L626 R642 A646 I649 L650	K586-L590 WeakPolarHBondContact O-CB 3.44Å; K586-L590 PolarHBondContact O-N 3.44Å; K587-L590 PolarHBondContact O-N 3.02Å; L590-C593 PolarHBondContact O-SG 3.41Å; L590-L623 HydrophobicContact CD1-CD2 3.83Å; L590-L626 HydrophobicContact CD1-CD2 3.81Å; L590-L626 HydrophobicContact CG-CD2 4.34Å; L590-R642 PolarHBondContact O-NH2 2.9Å; L590-A646 HydrophobicContact CB-CB 3.95Å; L590-A646 HydrophobicContact CD2-CB 3.97Å; L590-A646 HydrophobicContact CG-CB 3.88Å; L590-I649 HydrophobicContact CD2-CB 4.43Å; L590-I649 HydrophobicContact CD2-CG2 4.39Å; L590-L650 HydrophobicContact CD2-CD1 4.17Å; L590-L650 HydrophobicContact CD2-CD2 4.31Å; L590-L650 HydrophobicContact CD2-CG 3.96Å
591	T	95.5	Very high	92.2	Very high	25 Å²	25	69.3 Å²	69.3	15%	0.153	35%	0.35	C	S	.	.	H	α-helix	trans	-66.5	-45.3	174.5	-60.1	0	0	0	0	111.5	K587 N588 W589 R642 R643	K587-T591 WeakPolarHBondContact O-CB 3.29Å; K587-T591 PolarHBondContact O-N 3.38Å; K587-T591 PolarHBondContact O-OG1 3.41Å; N588-T591 PolarHBondContact O-N 2.97Å; W589-T591 PolarHBondContact O-N 2.71Å; T591-R642 HydrophobicContact CG2-CB 4.44Å; T591-R642 PolarHBondContact O-NE 2.93Å; T591-R642 PolarHBondContact O-NH2 3.48Å; T591-R642 VanDerWaalsContact O-NH2 3.09Å; T591-R643 HydrophobicContact CG2-CB 3.92Å; T591-R643 HydrophobicContact CG2-CG 4.48Å
592	T	95.1	Very high	92.9	Very high	115 Å²	115	63.1 Å²	63.1	71%	0.706	32%	0.323	S	S	*	.	H	α-helix	trans	-98.6	-15.5	-168.8	57.3	0	0	0	0	114.6	N588 W589	N588-T592 PolarHBondContact O-N 2.88Å; N588-T592 VanDerWaalsContact O-N 3.15Å; N588-T592 PolarHBondContact O-OG1 3.3Å; W589-T592 PolarHBondContact O-N 3.03Å; W589-T592 PolarHBondContact O-OG1 3.24Å
593	C	94	Very high	93.1	Very high	25 Å²	25	66.7 Å²	66.7	17%	0.169	35%	0.347	C	S	.	.	S	Bend	trans	-60.8	147.1	179.4	71.2	0	0	0	0	112.1	W589 L590 I595 L623 R642	W589-C593 WeakPolarHBondContact O-CB 3.46Å; W589-C593 PolarHBondContact O-N 3.2Å; L590-C593 PolarHBondContact O-SG 3.41Å; C593-I595 PolarHBondContact O-N 3.14Å; C593-L623 VanDerWaalsContact SG-CD2 3.58Å; C593-R642 PolarHBondContact O-NH2 3.34Å; C593-R642 VanDerWaalsContact O-NH2 3.15Å
594	E	94.6	Very high	93.3	Very high	155 Å²	155	67.8 Å²	67.8	72%	0.724	35%	0.353	S	S	*	.			trans	-61.6	134.2	171.3	-174.7	-178.4	-177.2	0	0	110.5	K596	E594-K596 PolarHBondContact O-N 3.42Å
595	I	94.9	Very high	93.5	Very high	42 Å²	42	63.6 Å²	63.6	22%	0.215	33%	0.333	C	S	.	.			trans	-80.5	101.5	174.2	-49.9	177.7	0	0	0	108	C593 L626 H630 I635	C593-I595 PolarHBondContact O-N 3.14Å; I595-L626 HydrophobicContact CG1-CD2 4.44Å; I595-L626 HydrophobicContact CG1-CG 4.5Å; I595-H630 HydrophobicContact CD1-CB 3.98Å; I595-H630 HydrophobicContact CG2-CB 3.71Å; I595-I635 HydrophobicContact CD1-CD1 4.23Å
596	K	93.9	Very high	93.6	Very high	103 Å²	103	59.3 Å²	59.3	45%	0.448	31%	0.313	S	S	.	.			trans	-73.8	155.5	177.2	-58.9	-175.7	-177.8	179.3	0	110.9	E594 T600 F601 S627	E594-K596 PolarHBondContact O-N 3.42Å; K596-T600 HydrophobicContact CD-CG2 4.15Å; K596-F601 HydrophobicContact CB-CE2 3.94Å; K596-F601 HydrophobicContact CB-CZ 3.91Å; K596-F601 HydrophobicContact CD-CE1 4.45Å; K596-F601 HydrophobicContact CD-CZ 4Å; K596-F601 HydrophobicContact CG-CZ 4.34Å; K596-S627 WeakPolarHBondContact O-CB 3.32Å; K596-S627 PolarHBondContact O-OG 3.49Å
597	D	94.7	Very high	93.9	Very high	94 Å²	94	58.8 Å²	58.8	50%	0.503	32%	0.316	S	S	.	.			trans	-59.8	139.6	168.8	-172.7	-89.9	0	0	0	110	N599 T600	D597-N599 PolarHBondContact O-N 3.45Å; D597-N599 WeakPolarHBondContact OD1-CB 3.28Å; D597-N599 PolarHBondContact OD1-N 3.36Å; D597-N599 PolarHBondContact OD1-ND2 3.21Å; D597-T600 WeakPolarHBondContact O-CB 3.5Å; D597-T600 PolarHBondContact O-N 3.25Å; D597-T600 PolarHBondContact O-OG1 3.35Å
598	I	93.4	Very high	94	Very high	3 Å²	3	59 Å²	59	2%	0.015	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-59	-30.4	-177.1	-168	174.7	0	0	0	112.6	T600 F601 L602 A605 M628 Y675	I598-T600 PolarHBondContact O-N 2.66Å; I598-T600 VanDerWaalsContact O-N 3.13Å; I598-F601 PolarHBondContact O-N 3.03Å; I598-L602 PolarHBondContact O-N 3.17Å; I598-L602 VanDerWaalsContact O-N 3.15Å; I598-A605 HydrophobicContact CB-CB 4.18Å; I598-A605 HydrophobicContact CD1-CB 3.76Å; I598-A605 HydrophobicContact CG1-CB 3.62Å; I598-A605 HydrophobicContact CG2-CB 3.7Å; I598-M628 HydrophobicContact CD1-CG 3.43Å; I598-M628 VanDerWaalsContact CD1-CG 3.43Å; I598-M628 HydrophobicContact CD1-SD 4.23Å; I598-Y675 HydrophobicContact CD1-CD1 4.08Å; I598-Y675 HydrophobicContact CD1-CE1 3.64Å; I598-Y675 HydrophobicContact CD1-CE2 4.49Å
599	N	94.4	Very high	93.9	Very high	70 Å²	70	62.6 Å²	62.6	37%	0.374	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-67.9	-11.8	178.1	-61.9	-75	0	0	0	112.9	D597 F601 L602 N604 A605	D597-N599 PolarHBondContact O-N 3.45Å; D597-N599 WeakPolarHBondContact OD1-CB 3.28Å; D597-N599 PolarHBondContact OD1-N 3.36Å; D597-N599 PolarHBondContact OD1-ND2 3.21Å; N599-F601 VanDerWaalsContact C-N 3.28Å; N599-L602 WeakPolarHBondContact CA-O 3.4Å; N599-N604 WeakPolarHBondContact OD1-CA 3.44Å; N599-N604 PolarHBondContact OD1-N 3.14Å; N599-A605 PolarHBondContact OD1-N 3.29Å
600	T	93	Very high	93.9	Very high	89 Å²	89	57.8 Å²	57.8	55%	0.546	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-67.7	-31.4	171.4	-43.9	0	0	0	0	111.6	K596 D597 I598	K596-T600 HydrophobicContact CD-CG2 4.15Å; D597-T600 WeakPolarHBondContact O-CB 3.5Å; D597-T600 PolarHBondContact O-N 3.25Å; D597-T600 PolarHBondContact O-OG1 3.35Å; I598-T600 PolarHBondContact O-N 2.66Å; I598-T600 VanDerWaalsContact O-N 3.13Å
601	F	92.5	Very high	93.9	Very high	26 Å²	26	59.4 Å²	59.4	11%	0.114	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-35.9	-178.6	-51.9	-72.8	0	0	0	111.9	K596 I598 N599 I615 E620 L623 C624	K596-F601 HydrophobicContact CB-CE2 3.94Å; K596-F601 HydrophobicContact CB-CZ 3.91Å; K596-F601 HydrophobicContact CD-CE1 4.45Å; K596-F601 HydrophobicContact CD-CZ 4Å; K596-F601 HydrophobicContact CG-CZ 4.34Å; I598-F601 PolarHBondContact O-N 3.03Å; N599-F601 VanDerWaalsContact C-N 3.28Å; F601-I615 HydrophobicContact CB-CD1 4.28Å; F601-E620 HydrophobicContact CD1-CB 4.41Å; F601-L623 HydrophobicContact CE1-CB 3.96Å; F601-L623 HydrophobicContact CE1-CD1 4.02Å; F601-L623 HydrophobicContact CE2-CB 4.23Å; F601-L623 HydrophobicContact CZ-CB 3.6Å; F601-L623 HydrophobicContact CZ-CD1 4.19Å; F601-C624 HydrophobicContact CB-CB 4.47Å; F601-C624 HydrophobicContact CD2-CB 4.2Å; F601-C624 HydrophobicContact CG-CB 4.4Å
602	L	91.5	Very high	93.9	Very high	10 Å²	10	58.4 Å²	58.4	5%	0.052	32%	0.317	C	S	.	.	S	Bend	trans	-137.5	108.2	-176.9	-175.8	62	0	0	0	110.2	I598 N599 N604 A605 L611 I615	I598-L602 PolarHBondContact O-N 3.17Å; I598-L602 VanDerWaalsContact O-N 3.15Å; N599-L602 WeakPolarHBondContact CA-O 3.4Å; L602-N604 PolarHBondContact O-N 3.38Å; L602-A605 HydrophobicContact CB-CB 4.13Å; L602-A605 HydrophobicContact CD2-CB 4.38Å; L602-A605 HydrophobicContact CG-CB 4.38Å; L602-A605 WeakPolarHBondContact O-CB 3.46Å; L602-A605 PolarHBondContact O-N 2.99Å; L602-A605 VanDerWaalsContact O-N 3.13Å; L602-L611 WeakPolarHBondContact CD1-O 3.48Å; L602-I615 HydrophobicContact CB-CD1 4.28Å
603	P	90.3	Very high	93.8	Very high	100 Å²	100	54 Å²	54	65%	0.649	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	134.4	177.2	-25.7	34.5	0	0	0	111.5	A605	P603-A605 VanDerWaalsContact C-N 3.32Å; P603-A605 PolarHBondContact O-N 3.49Å
604	N	92.3	Very high	93.7	Very high	123 Å²	123	58.1 Å²	58.1	66%	0.658	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	48.2	-174.7	-59.2	-28.9	0	0	0	112.1	N599 L602 S606 S607 S610	N599-N604 WeakPolarHBondContact OD1-CA 3.44Å; N599-N604 PolarHBondContact OD1-N 3.14Å; L602-N604 PolarHBondContact O-N 3.38Å; N604-S606 PolarHBondContact O-N 3.09Å; N604-S607 VanDerWaalsContact O-CB 3.26Å; N604-S607 WeakPolarHBondContact O-CB 3.33Å; N604-S607 PolarHBondContact O-N 3.24Å; N604-S610 WeakPolarHBondContact O-CB 3.3Å
605	A	94.1	Very high	93.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-23.2	-173.2	0	0	0	0	0	114	I598 N599 L602 P603 S607 S610 H672 V676	I598-A605 HydrophobicContact CB-CB 4.18Å; I598-A605 HydrophobicContact CD1-CB 3.76Å; I598-A605 HydrophobicContact CG1-CB 3.62Å; I598-A605 HydrophobicContact CG2-CB 3.7Å; N599-A605 PolarHBondContact OD1-N 3.29Å; L602-A605 HydrophobicContact CB-CB 4.13Å; L602-A605 HydrophobicContact CD2-CB 4.38Å; L602-A605 HydrophobicContact CG-CB 4.38Å; L602-A605 WeakPolarHBondContact O-CB 3.46Å; L602-A605 PolarHBondContact O-N 2.99Å; L602-A605 VanDerWaalsContact O-N 3.13Å; P603-A605 VanDerWaalsContact C-N 3.32Å; P603-A605 PolarHBondContact O-N 3.49Å; A605-S607 VanDerWaalsContact C-N 3.35Å; A605-S610 PolarHBondContact O-OG 3.25Å; A605-H672 PolarHBondContact O-NE2 3.26Å; A605-V676 WeakPolarHBondContact O-CG2 3.27Å
606	S	95.3	Very high	93.1	Very high	36 Å²	36	55 Å²	55	25%	0.252	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	0.4	175.1	-51.1	0	0	0	0	113.4	N604 N680	N604-S606 PolarHBondContact O-N 3.09Å; S606-N680 PolarHBondContact O-ND2 3.38Å
607	S	95.8	Very high	92.8	Very high	39 Å²	39	53.6 Å²	53.6	27%	0.273	29%	0.294	S	S	.	.	S	Bend	trans	-80.9	141.4	176	177.5	0	0	0	0	111.2	N604 A605 E609 S610	N604-S607 VanDerWaalsContact O-CB 3.26Å; N604-S607 WeakPolarHBondContact O-CB 3.33Å; N604-S607 PolarHBondContact O-N 3.24Å; A605-S607 VanDerWaalsContact C-N 3.35Å; S607-E609 PolarHBondContact O-N 2.63Å; S607-E609 PolarHBondContact OG-N 3.15Å; S607-E609 VanDerWaalsContact OG-N 3.14Å; S607-S610 WeakPolarHBondContact O-CB 3.17Å; S607-S610 PolarHBondContact O-N 3.5Å; S607-S610 PolarHBondContact O-OG 3.05Å
608	F	95.4	Very high	92.4	Very high	16 Å²	16	52.3 Å²	52.3	7%	0.07	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-24.7	169.8	-73.4	-71.6	0	0	0	113	S610 F673 V676 N680 L681 K821 I891	F608-S610 VanDerWaalsContact C-N 3.31Å; F608-F673 AromaticContact CD1-CE2 3.93Å; F608-F673 HydrophobicContact CD1-CE2 3.93Å; F608-F673 HydrophobicContact CD1-CZ 4.14Å; F608-F673 HydrophobicContact CE1-CE2 4.32Å; F608-F673 HydrophobicContact CE1-CZ 4.11Å; F608-V676 HydrophobicContact CB-CG1 4.48Å; F608-V676 HydrophobicContact CD1-CG1 3.42Å; F608-V676 VanDerWaalsContact CD1-CG1 3.42Å; F608-V676 HydrophobicContact CD2-CG1 4.25Å; F608-V676 HydrophobicContact CE1-CG1 3.57Å; F608-V676 HydrophobicContact CE2-CG1 4.36Å; F608-V676 HydrophobicContact CG-CG1 3.79Å; F608-V676 HydrophobicContact CZ-CG1 4.04Å; F608-N680 HydrophobicContact CE2-CB 3.93Å; F608-N680 HydrophobicContact CZ-CB 4.26Å; F608-L681 HydrophobicContact CZ-CD2 4.38Å; F608-K821 PolarHBondContact O-NZ 3.02Å; F608-I891 HydrophobicContact CB-CD1 4.27Å; F608-I891 HydrophobicContact CB-CG1 4.09Å; F608-I891 HydrophobicContact CD1-CD1 3.5Å; F608-I891 VanDerWaalsContact CD1-CD1 3.5Å; F608-I891 HydrophobicContact CD1-CG1 4.25Å; F608-I891 HydrophobicContact CD2-CD1 4.49Å; F608-I891 HydrophobicContact CE1-CD1 3.85Å; F608-I891 HydrophobicContact CG-CD1 3.85Å; F608-I891 HydrophobicContact CG-CG1 4.15Å; F608-I891 HydrophobicContact CZ-CD1 4.49Å
609	E	93.1	Very high	92	Very high	134 Å²	134	55.6 Å²	55.6	63%	0.626	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-11.9	176.8	-60	-179.9	171.5	0	0	113.4	S607	S607-E609 PolarHBondContact O-N 2.63Å; S607-E609 PolarHBondContact OG-N 3.15Å; S607-E609 VanDerWaalsContact OG-N 3.14Å
610	S	94.6	Very high	91.9	Very high	8 Å²	8	55.3 Å²	55.3	6%	0.056	30%	0.299	C	S	.	.			trans	-66.8	145	-177.5	66.4	0	0	0	0	111.9	N604 A605 S607 F608 P612 H672 K821	N604-S610 WeakPolarHBondContact O-CB 3.3Å; A605-S610 PolarHBondContact O-OG 3.25Å; S607-S610 WeakPolarHBondContact O-CB 3.17Å; S607-S610 PolarHBondContact O-N 3.5Å; S607-S610 PolarHBondContact O-OG 3.05Å; F608-S610 VanDerWaalsContact C-N 3.31Å; S610-P612 WeakPolarHBondContact O-CD 3.44Å; S610-H672 PolarHBondContact OG-CE1 3.28Å; S610-H672 PolarHBondContact OG-NE2 2.96Å; S610-K821 PolarHBondContact O-NZ 3.21Å
611	L	94.4	Very high	92	Very high	35 Å²	35	51 Å²	51	18%	0.183	27%	0.273	C	S	.	.			trans	-115.8	88.6	-167.6	-78.2	153.6	0	0	0	110.6	L602 R613 N614 K821 N825	L602-L611 WeakPolarHBondContact CD1-O 3.48Å; L611-R613 PolarHBondContact O-N 3.24Å; L611-N614 WeakPolarHBondContact O-CB 3.44Å; L611-N614 PolarHBondContact O-N 2.91Å; L611-N614 VanDerWaalsContact O-N 3.11Å; L611-K821 HydrophobicContact CD2-CB 3.94Å; L611-K821 HydrophobicContact CD2-CG 4.32Å; L611-N825 HydrophobicContact CD2-CB 3.64Å
612	P	94.1	Very high	92.1	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.026	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-60.3	-28.7	-177.4	22.1	-33.2	0	0	0	113.5	S610 N614 I615 M665 F668 H672	S610-P612 WeakPolarHBondContact O-CD 3.44Å; P612-N614 PolarHBondContact O-N 3.44Å; P612-N614 VanDerWaalsContact O-N 3.14Å; P612-I615 WeakPolarHBondContact O-CB 3.33Å; P612-I615 PolarHBondContact O-N 2.87Å; P612-I615 VanDerWaalsContact O-N 3.15Å; P612-M665 WeakPolarHBondContact O-CE 3.48Å; P612-F668 HydrophobicContact CB-CD1 4.01Å; P612-F668 HydrophobicContact CB-CE1 3.63Å; P612-H672 HydrophobicContact CB-CB 4.02Å; P612-H672 HydrophobicContact CG-CB 4.22Å; P612-H672 WeakPolarHBondContact CG-ND1 3.44Å
613	R	93.3	Very high	92.3	Very high	23 Å²	23	50.4 Å²	50.4	9%	0.087	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-63.7	-12.8	176.4	-66.4	-178.5	179.5	-84.7	-1.8	114.9	L611 I615 M665 D818	L611-R613 PolarHBondContact O-N 3.24Å; R613-I615 VanDerWaalsContact C-N 3.34Å; R613-M665 HydrophobicContact CB-CE 4.36Å; R613-M665 HydrophobicContact CG-CE 4.04Å; R613-M665 HydrophobicContact CG-CG 4.17Å; R613-D818 IonicContact CZ-OD1 2.8Å; R613-D818 IonicContact CZ-OD2 3.49Å; R613-D818 IonicContact NE-OD1 3.96Å; R613-D818 PolarHBondContact NE-OD1 3.35Å; R613-D818 IonicContact NE-OD2 2.68Å; R613-D818 PolarHBondContact NE-OD2 3.27Å; R613-D818 IonicContact NH2-OD1 2.97Å; R613-D818 IonicContact NH2-OD2 2.65Å; R613-D818 PolarHBondContact NH2-OD2 2.84Å
614	N	91.5	Very high	92.6	Very high	110 Å²	110	45.7 Å²	45.7	59%	0.588	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-82.2	-10.2	175.6	-70.7	-11.6	0	0	0	113.6	L611 P612 Q616	L611-N614 WeakPolarHBondContact O-CB 3.44Å; L611-N614 PolarHBondContact O-N 2.91Å; L611-N614 VanDerWaalsContact O-N 3.11Å; P612-N614 PolarHBondContact O-N 3.44Å; P612-N614 VanDerWaalsContact O-N 3.14Å; N614-Q616 PolarHBondContact O-N 3.44Å
615	I	92.4	Very high	92.8	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.015	21%	0.208	C	C	.	.			trans	-68.7	121.3	179.1	-66.7	178	0	0	0	109.4	F601 L602 P612 R613 E620 T621 C624 F668	F601-I615 HydrophobicContact CB-CD1 4.28Å; L602-I615 HydrophobicContact CB-CD1 4.28Å; P612-I615 WeakPolarHBondContact O-CB 3.33Å; P612-I615 PolarHBondContact O-N 2.87Å; P612-I615 VanDerWaalsContact O-N 3.15Å; R613-I615 VanDerWaalsContact C-N 3.34Å; I615-E620 HydrophobicContact CG2-CB 3.54Å; I615-T621 HydrophobicContact CG2-CG2 4.16Å; I615-C624 HydrophobicContact CD1-CB 4.1Å; I615-F668 HydrophobicContact CD1-CE1 3.81Å; I615-F668 HydrophobicContact CD1-CZ 3.7Å
616	Q	84.5	Confident	92.9	Very high	129 Å²	129	39.9 Å²	39.9	60%	0.603	21%	0.209	S	C	*	.	S	Bend	trans	-144.2	138.2	-178.3	-71.2	-64.5	-29.8	0	0	110.6	N614	N614-Q616 PolarHBondContact O-N 3.44Å
617	P	88.9	Confident	93	Very high	73 Å²	73	38.4 Å²	38.4	47%	0.474	20%	0.198	S	C	.	.	S	Bend	cis	-71	163.2	-0.3	29.7	-36.6	0	0	0	112.7	N619 E620	P617-N619 PolarHBondContact O-N 2.76Å; P617-E620 HydrophobicContact CG-CG 4.23Å; P617-E620 WeakPolarHBondContact O-CB 3.48Å; P617-E620 PolarHBondContact O-N 2.9Å
618	E	85.6	Confident	93.1	Very high	67 Å²	67	36.5 Å²	36.5	31%	0.313	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-31.7	178.3	-168.7	-160.9	156.8	0	0	112.7	E620 T621 R653	E618-E620 PolarHBondContact O-N 3.43Å; E618-E620 VanDerWaalsContact O-N 3.14Å; E618-T621 VanDerWaalsContact O-CB 3.27Å; E618-T621 WeakPolarHBondContact O-CB 3.5Å; E618-T621 VanDerWaalsContact O-CG2 3.29Å; E618-T621 WeakPolarHBondContact O-CG2 3.38Å; E618-T621 PolarHBondContact O-N 2.88Å; E618-T621 PolarHBondContact O-OG1 2.92Å; E618-R653 VanDerWaalsContact CD-NH2 3.32Å; E618-R653 IonicContact OE1-CZ 3.4Å; E618-R653 IonicContact OE1-NE 3.52Å; E618-R653 PolarHBondContact OE1-NE 2.84Å; E618-R653 IonicContact OE1-NH2 3.48Å; E618-R653 PolarHBondContact OE1-NH2 3.27Å; E618-R653 IonicContact OE2-NH2 3.51Å; E618-R653 PolarHBondContact OE2-NH2 2.64Å
619	N	84.7	Confident	93.3	Very high	72 Å²	72	35.8 Å²	35.8	39%	0.385	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.3	177	-68.7	-29.4	0	0	0	114.3	K586 P617 T621 Y622	K586-N619 PolarHBondContact NZ-OD1 2.96Å; P617-N619 PolarHBondContact O-N 2.76Å; N619-T621 PolarHBondContact O-N 3.31Å; N619-Y622 VanDerWaalsContact CA-CE2 3.49Å; N619-Y622 HydrophobicContact CB-CD2 4.28Å; N619-Y622 HydrophobicContact CB-CE2 3.93Å; N619-Y622 WeakPolarHBondContact O-CD2 3.44Å; N619-Y622 PolarHBondContact O-N 3.38Å; N619-Y622 VanDerWaalsContact OD1-CE2 3.26Å; N619-Y622 WeakPolarHBondContact OD1-CE2 3.49Å
620	E	92.8	Very high	93.4	Very high	64 Å²	64	33.8 Å²	33.8	30%	0.299	17%	0.172	S	C	.	.	H	α-helix	trans	-70.3	-19.7	173.6	-66	-166	158.7	0	0	112.5	F601 I615 P617 E618 Y622 L623 C624	F601-E620 HydrophobicContact CD1-CB 4.41Å; I615-E620 HydrophobicContact CG2-CB 3.54Å; P617-E620 HydrophobicContact CG-CG 4.23Å; P617-E620 WeakPolarHBondContact O-CB 3.48Å; P617-E620 PolarHBondContact O-N 2.9Å; E618-E620 PolarHBondContact O-N 3.43Å; E618-E620 VanDerWaalsContact O-N 3.14Å; E620-Y622 PolarHBondContact O-N 3.18Å; E620-L623 PolarHBondContact O-N 2.88Å; E620-C624 WeakPolarHBondContact O-CB 3.34Å; E620-C624 PolarHBondContact O-N 3.39Å
621	T	95.7	Very high	93.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.9	-31	174.2	64	0	0	0	0	112	I615 E618 N619 C624 T625 W664 M665 F668	I615-T621 HydrophobicContact CG2-CG2 4.16Å; E618-T621 VanDerWaalsContact O-CB 3.27Å; E618-T621 WeakPolarHBondContact O-CB 3.5Å; E618-T621 VanDerWaalsContact O-CG2 3.29Å; E618-T621 WeakPolarHBondContact O-CG2 3.38Å; E618-T621 PolarHBondContact O-N 2.88Å; E618-T621 PolarHBondContact O-OG1 2.92Å; N619-T621 PolarHBondContact O-N 3.31Å; T621-C624 PolarHBondContact O-N 3.13Å; T621-T625 WeakPolarHBondContact O-CB 3.18Å; T621-T625 PolarHBondContact O-N 3.35Å; T621-T625 PolarHBondContact O-OG1 2.65Å; T621-W664 PolarHBondContact OG1-NE1 3.07Å; T621-M665 HydrophobicContact CG2-CE 4.47Å; T621-M665 HydrophobicContact CG2-SD 4.41Å; T621-F668 HydrophobicContact CG2-CD1 4.01Å; T621-F668 HydrophobicContact CG2-CD2 4.33Å; T621-F668 HydrophobicContact CG2-CE1 4.08Å; T621-F668 HydrophobicContact CG2-CE2 4.42Å; T621-F668 HydrophobicContact CG2-CG 4.1Å; T621-F668 HydrophobicContact CG2-CZ 4.29Å; T621-F668 VanDerWaalsContact O-CE2 3.26Å; T621-F668 WeakPolarHBondContact O-CE2 3.47Å
622	Y	94.4	Very high	93.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-68.8	-42.1	175.3	-42.9	-44.7	0	0	0	111.7	N619 E620 C624 T625 L626 I649 L650 R653 W664	N619-Y622 VanDerWaalsContact CA-CE2 3.49Å; N619-Y622 HydrophobicContact CB-CD2 4.28Å; N619-Y622 HydrophobicContact CB-CE2 3.93Å; N619-Y622 WeakPolarHBondContact O-CD2 3.44Å; N619-Y622 PolarHBondContact O-N 3.38Å; N619-Y622 VanDerWaalsContact OD1-CE2 3.26Å; N619-Y622 WeakPolarHBondContact OD1-CE2 3.49Å; E620-Y622 PolarHBondContact O-N 3.18Å; Y622-C624 VanDerWaalsContact C-N 3.35Å; Y622-T625 PolarHBondContact O-N 2.86Å; Y622-L626 WeakPolarHBondContact O-CB 3.22Å; Y622-L626 PolarHBondContact O-N 3.03Å; Y622-I649 HydrophobicContact CD1-CG2 4.04Å; Y622-I649 HydrophobicContact CG-CG2 4.42Å; Y622-L650 HydrophobicContact CD2-CD2 4.18Å; Y622-L650 HydrophobicContact CE2-CD2 4.35Å; Y622-L650 HydrophobicContact CG-CD2 4.37Å; Y622-R653 HydrophobicContact CE1-CB 3.98Å; Y622-R653 HydrophobicContact CE1-CG 3.75Å; Y622-R653 VanDerWaalsContact OH-CD 3.31Å; Y622-R653 WeakPolarHBondContact OH-CD 3.21Å; Y622-R653 PolarHBondContact OH-NE 3.31Å; Y622-W664 AromaticContact CD1-CZ2 3.92Å; Y622-W664 HydrophobicContact CD1-CZ2 3.92Å; Y622-W664 AromaticContact CE1-CE2 3.95Å; Y622-W664 HydrophobicContact CE1-CZ2 4.13Å; Y622-W664 AromaticContact CE1-NE1 3.67Å
623	L	95.1	Very high	93.8	Very high	23 Å²	23	38.4 Å²	38.4	12%	0.12	20%	0.199	C	C	.	.	H	α-helix	trans	-65.2	-43.2	176.7	-64.3	174.7	0	0	0	110.2	W589 L590 C593 F601 E620 T625 L626 S627	W589-L623 HydrophobicContact CH2-CD1 4.01Å; W589-L623 HydrophobicContact CH2-CD2 3.91Å; W589-L623 HydrophobicContact CH2-CG 3.89Å; W589-L623 HydrophobicContact CZ2-CD1 3.92Å; W589-L623 HydrophobicContact CZ2-CD2 3.92Å; W589-L623 HydrophobicContact CZ2-CG 4.15Å; L590-L623 HydrophobicContact CD1-CD2 3.83Å; C593-L623 VanDerWaalsContact SG-CD2 3.58Å; F601-L623 HydrophobicContact CE1-CB 3.96Å; F601-L623 HydrophobicContact CE1-CD1 4.02Å; F601-L623 HydrophobicContact CE2-CB 4.23Å; F601-L623 HydrophobicContact CZ-CB 3.6Å; F601-L623 HydrophobicContact CZ-CD1 4.19Å; E620-L623 PolarHBondContact O-N 2.88Å; L623-T625 PolarHBondContact O-N 3.09Å; L623-L626 WeakPolarHBondContact O-CB 3.42Å; L623-L626 PolarHBondContact O-N 3.38Å; L623-S627 PolarHBondContact O-N 3.37Å; L623-S627 PolarHBondContact O-OG 3.33Å; L623-S627 VanDerWaalsContact O-OG 3.11Å
624	C	96.3	Very high	94	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.5	-41.1	176.1	-168	0	0	0	0	111.7	F601 I615 E620 T621 Y622 L626 S627 M628 F668	F601-C624 HydrophobicContact CB-CB 4.47Å; F601-C624 HydrophobicContact CD2-CB 4.2Å; F601-C624 HydrophobicContact CG-CB 4.4Å; I615-C624 HydrophobicContact CD1-CB 4.1Å; E620-C624 WeakPolarHBondContact O-CB 3.34Å; E620-C624 PolarHBondContact O-N 3.39Å; T621-C624 PolarHBondContact O-N 3.13Å; Y622-C624 VanDerWaalsContact C-N 3.35Å; C624-L626 VanDerWaalsContact C-N 3.32Å; C624-L626 PolarHBondContact O-N 3.23Å; C624-S627 WeakPolarHBondContact O-CB 3.27Å; C624-S627 PolarHBondContact O-N 2.85Å; C624-M628 WeakPolarHBondContact O-CG 3.37Å; C624-M628 PolarHBondContact O-N 3.08Å; C624-F668 HydrophobicContact CB-CE2 3.87Å; C624-F668 HydrophobicContact CB-CZ 3.73Å
625	T	97.3	Very high	94.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58.7	-45.6	173	-56.7	0	0	0	0	111	T621 Y622 L623 S627 M628 F629 I649 F668 L701	T621-T625 WeakPolarHBondContact O-CB 3.18Å; T621-T625 PolarHBondContact O-N 3.35Å; T621-T625 PolarHBondContact O-OG1 2.65Å; Y622-T625 PolarHBondContact O-N 2.86Å; L623-T625 PolarHBondContact O-N 3.09Å; T625-S627 VanDerWaalsContact C-N 3.33Å; T625-S627 PolarHBondContact O-N 3.09Å; T625-M628 WeakPolarHBondContact O-CB 3.12Å; T625-M628 PolarHBondContact O-N 3.3Å; T625-M628 VanDerWaalsContact O-N 3.15Å; T625-F629 HydrophobicContact CG2-CD2 4.03Å; T625-F629 HydrophobicContact CG2-CE2 3.94Å; T625-F629 WeakPolarHBondContact O-CD2 3.46Å; T625-F629 PolarHBondContact O-N 3.01Å; T625-I649 HydrophobicContact CG2-CD1 3.91Å; T625-I649 HydrophobicContact CG2-CG1 4.05Å; T625-F668 WeakPolarHBondContact OG1-CD2 3.18Å; T625-L701 HydrophobicContact CG2-CD1 4Å; T625-L701 HydrophobicContact CG2-CD2 4.02Å
626	L	96.5	Very high	94.4	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-61.3	-41	176.5	-164.2	62.3	0	0	0	112.5	L590 I595 Y622 L623 C624 F629 H630 L645 I649	L590-L626 HydrophobicContact CD1-CD2 3.81Å; L590-L626 HydrophobicContact CG-CD2 4.34Å; I595-L626 HydrophobicContact CG1-CD2 4.44Å; I595-L626 HydrophobicContact CG1-CG 4.5Å; Y622-L626 WeakPolarHBondContact O-CB 3.22Å; Y622-L626 PolarHBondContact O-N 3.03Å; L623-L626 WeakPolarHBondContact O-CB 3.42Å; L623-L626 PolarHBondContact O-N 3.38Å; C624-L626 VanDerWaalsContact C-N 3.32Å; C624-L626 PolarHBondContact O-N 3.23Å; L626-F629 PolarHBondContact O-N 3.24Å; L626-H630 WeakPolarHBondContact O-CB 3.43Å; L626-H630 PolarHBondContact O-N 3.26Å; L626-L645 HydrophobicContact CD1-CD2 3.59Å; L626-L645 HydrophobicContact CD1-CG 3.99Å; L626-I649 HydrophobicContact CD1-CD1 4.14Å
627	S	97.1	Very high	94.9	Very high	4 Å²	4	38.3 Å²	38.3	3%	0.028	19%	0.194	C	C	.	.	H	α-helix	trans	-64.9	-35.9	173.9	-63.7	0	0	0	0	112.3	K596 L623 C624 T625 H630 S631	K596-S627 WeakPolarHBondContact O-CB 3.32Å; K596-S627 PolarHBondContact O-OG 3.49Å; L623-S627 PolarHBondContact O-N 3.37Å; L623-S627 PolarHBondContact O-OG 3.33Å; L623-S627 VanDerWaalsContact O-OG 3.11Å; C624-S627 WeakPolarHBondContact O-CB 3.27Å; C624-S627 PolarHBondContact O-N 2.85Å; T625-S627 VanDerWaalsContact C-N 3.33Å; T625-S627 PolarHBondContact O-N 3.09Å; S627-H630 PolarHBondContact O-N 2.93Å; S627-S631 WeakPolarHBondContact O-CB 3.41Å; S627-S631 PolarHBondContact O-N 3.46Å
628	M	98.1	Very high	95.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.2	-47.9	173.4	-71.1	-172.3	-72.1	0	0	111.6	I598 C624 T625 H630 S631 L632 F668 H672 Y675 F697	I598-M628 HydrophobicContact CD1-CG 3.43Å; I598-M628 VanDerWaalsContact CD1-CG 3.43Å; I598-M628 HydrophobicContact CD1-SD 4.23Å; C624-M628 WeakPolarHBondContact O-CG 3.37Å; C624-M628 PolarHBondContact O-N 3.08Å; T625-M628 WeakPolarHBondContact O-CB 3.12Å; T625-M628 PolarHBondContact O-N 3.3Å; T625-M628 VanDerWaalsContact O-N 3.15Å; M628-H630 VanDerWaalsContact C-N 3.25Å; M628-H630 PolarHBondContact O-N 3.13Å; M628-S631 PolarHBondContact O-N 2.94Å; M628-L632 WeakPolarHBondContact O-CB 3.32Å; M628-L632 WeakPolarHBondContact O-CG 3.49Å; M628-L632 PolarHBondContact O-N 2.89Å; M628-F668 HydrophobicContact CE-CD2 4.26Å; M628-F668 HydrophobicContact CE-CE2 3.73Å; M628-F668 HydrophobicContact CE-CZ 4.38Å; M628-H672 HydrophobicContact SD-CB 4.23Å; M628-Y675 HydrophobicContact CB-CD2 3.9Å; M628-Y675 HydrophobicContact CB-CE2 4.4Å; M628-Y675 HydrophobicContact CB-CG 4.38Å; M628-Y675 HydrophobicContact CG-CD1 4.31Å; M628-Y675 HydrophobicContact CG-CD2 3.74Å; M628-Y675 HydrophobicContact CG-CE2 4.19Å; M628-Y675 HydrophobicContact CG-CG 3.81Å; M628-Y675 VanDerWaalsContact SD-CB 3.56Å; M628-Y675 HydrophobicContact SD-CD1 4.24Å; M628-Y675 HydrophobicContact SD-CD2 4.27Å; M628-Y675 HydrophobicContact SD-CG 3.77Å; M628-F697 HydrophobicContact CB-CE1 4.28Å; M628-F697 HydrophobicContact CB-CE2 4.28Å; M628-F697 HydrophobicContact CB-CZ 3.52Å; M628-F697 HydrophobicContact CE-CZ 4.18Å; M628-F697 HydrophobicContact CG-CZ 4.39Å; M628-F697 HydrophobicContact SD-CE2 4.28Å; M628-F697 HydrophobicContact SD-CZ 4.12Å
629	F	98.2	Very high	95.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-55.5	-41.2	174.4	-90.7	-82.5	0	0	0	112.3	T625 L626 N633 L634 I635 I640 L645 F697 V698 L701	T625-F629 HydrophobicContact CG2-CD2 4.03Å; T625-F629 HydrophobicContact CG2-CE2 3.94Å; T625-F629 WeakPolarHBondContact O-CD2 3.46Å; T625-F629 PolarHBondContact O-N 3.01Å; L626-F629 PolarHBondContact O-N 3.24Å; F629-N633 PolarHBondContact O-N 3.19Å; F629-L634 HydrophobicContact CD1-CB 3.96Å; F629-L634 HydrophobicContact CD1-CD1 3.97Å; F629-L634 HydrophobicContact CE1-CD1 4.21Å; F629-L634 PolarHBondContact O-N 3.06Å; F629-I635 HydrophobicContact CB-CD1 4.08Å; F629-I635 HydrophobicContact CB-CG1 3.93Å; F629-I640 HydrophobicContact CD1-CD1 4.43Å; F629-I640 HydrophobicContact CE1-CD1 4.38Å; F629-L645 HydrophobicContact CB-CD2 3.94Å; F629-L645 HydrophobicContact CD1-CD1 4.08Å; F629-L645 HydrophobicContact CD1-CD2 4.23Å; F629-L645 HydrophobicContact CD2-CD1 3.89Å; F629-L645 HydrophobicContact CD2-CD2 4.28Å; F629-L645 HydrophobicContact CE1-CD1 3.97Å; F629-L645 HydrophobicContact CE2-CD1 3.77Å; F629-L645 HydrophobicContact CG-CD1 4.06Å; F629-L645 HydrophobicContact CG-CD2 3.91Å; F629-L645 HydrophobicContact CZ-CD1 3.83Å; F629-F697 HydrophobicContact CD1-CD1 4.42Å; F629-F697 HydrophobicContact CD1-CE1 4.39Å; F629-F697 HydrophobicContact CD2-CD1 4.4Å; F629-F697 AromaticContact CD2-CE1 3.69Å; F629-F697 HydrophobicContact CD2-CE1 3.69Å; F629-F697 HydrophobicContact CE1-CD1 4.08Å; F629-F697 HydrophobicContact CE1-CE1 4.32Å; F629-F697 HydrophobicContact CE2-CD1 4.06Å; F629-F697 AromaticContact CE2-CE1 3.61Å; F629-F697 HydrophobicContact CE2-CE1 3.61Å; F629-F697 HydrophobicContact CG-CE1 4.07Å; F629-F697 AromaticContact CZ-CD1 3.89Å; F629-F697 HydrophobicContact CZ-CD1 3.89Å; F629-F697 AromaticContact CZ-CE1 3.93Å; F629-F697 HydrophobicContact CZ-CE1 3.93Å; F629-V698 HydrophobicContact CE1-CG2 4.47Å; F629-V698 HydrophobicContact CZ-CG2 4.34Å; F629-L701 HydrophobicContact CE2-CD1 3.71Å; F629-L701 HydrophobicContact CZ-CD1 4.03Å
630	H	96.8	Very high	96.5	Very high	93 Å²	93	39.6 Å²	39.6	43%	0.431	18%	0.181	S	C	.	.	H	α-helix	trans	-70.3	-46.8	177.2	-177.7	66.9	0	0	0	112.4	I595 L626 S627 M628 L632 N633 I635	I595-H630 HydrophobicContact CD1-CB 3.98Å; I595-H630 HydrophobicContact CG2-CB 3.71Å; L626-H630 WeakPolarHBondContact O-CB 3.43Å; L626-H630 PolarHBondContact O-N 3.26Å; S627-H630 PolarHBondContact O-N 2.93Å; M628-H630 VanDerWaalsContact C-N 3.25Å; M628-H630 PolarHBondContact O-N 3.13Å; H630-L632 VanDerWaalsContact C-N 3.28Å; H630-L632 PolarHBondContact O-N 3.17Å; H630-N633 WeakPolarHBondContact O-CA 3.37Å; H630-N633 PolarHBondContact O-N 3.41Å; H630-I635 HydrophobicContact CB-CD1 4.04Å
631	S	96.5	Very high	96.6	Very high	39 Å²	39	38.6 Å²	38.6	27%	0.273	18%	0.182	S	C	.	.	H	α-helix	trans	-64.5	-31.3	-178.7	-177	0	0	0	0	112.7	S627 M628 N633 Y675 K679	S627-S631 WeakPolarHBondContact O-CB 3.41Å; S627-S631 PolarHBondContact O-N 3.46Å; M628-S631 PolarHBondContact O-N 2.94Å; S631-N633 VanDerWaalsContact C-N 3.26Å; S631-Y675 PolarHBondContact OG-OH 2.71Å; S631-Y675 VanDerWaalsContact OG-OH 3.04Å; S631-K679 PolarHBondContact O-NZ 3.09Å; S631-K679 WeakPolarHBondContact OG-CE 3.25Å; S631-K679 PolarHBondContact OG-NZ 3.28Å
632	L	96.7	Very high	96.7	Very high	26 Å²	26	41.4 Å²	41.4	14%	0.136	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	2	172.6	-64.3	179.3	0	0	0	113.2	M628 H630 L634 Y675 I678 K679 F697	M628-L632 WeakPolarHBondContact O-CB 3.32Å; M628-L632 WeakPolarHBondContact O-CG 3.49Å; M628-L632 PolarHBondContact O-N 2.89Å; H630-L632 VanDerWaalsContact C-N 3.28Å; H630-L632 PolarHBondContact O-N 3.17Å; L632-L634 HydrophobicContact CB-CD1 4.11Å; L632-L634 HydrophobicContact CB-CG 3.81Å; L632-L634 HydrophobicContact CD1-CD1 4.14Å; L632-L634 PolarHBondContact O-N 3.47Å; L632-L634 VanDerWaalsContact O-N 3.1Å; L632-Y675 HydrophobicContact CD1-CD2 3.94Å; L632-Y675 HydrophobicContact CD2-CD2 3.84Å; L632-Y675 HydrophobicContact CD2-CE2 4.06Å; L632-Y675 HydrophobicContact CG-CD2 3.73Å; L632-Y675 HydrophobicContact CG-CE2 4.07Å; L632-I678 HydrophobicContact CD1-CD1 3.91Å; L632-I678 HydrophobicContact CD2-CB 3.99Å; L632-I678 HydrophobicContact CD2-CG2 3.55Å; L632-K679 HydrophobicContact CD2-CD 4.37Å; L632-K679 HydrophobicContact CD2-CG 4.49Å; L632-F697 HydrophobicContact CD1-CD1 4.47Å; L632-F697 HydrophobicContact CD1-CD2 3.9Å; L632-F697 HydrophobicContact CD1-CE2 4.05Å; L632-F697 HydrophobicContact CD1-CG 4.14Å; L632-F697 HydrophobicContact CD1-CZ 4.4Å
633	N	96.7	Very high	96.7	Very high	79 Å²	79	46.6 Å²	46.6	42%	0.422	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	19.6	-177.2	-164.5	40.4	0	0	0	114.7	F629 H630 S631 I635 N636 R637	F629-N633 PolarHBondContact O-N 3.19Å; H630-N633 WeakPolarHBondContact O-CA 3.37Å; H630-N633 PolarHBondContact O-N 3.41Å; S631-N633 VanDerWaalsContact C-N 3.26Å; N633-I635 VanDerWaalsContact C-N 3.31Å; N633-I635 PolarHBondContact O-N 2.87Å; N633-N636 WeakPolarHBondContact OD1-CB 3.32Å; N633-N636 PolarHBondContact OD1-ND2 2.97Å; N633-N636 VanDerWaalsContact OD1-ND2 3.17Å; N633-R637 WeakPolarHBondContact O-CB 3.37Å; N633-R637 PolarHBondContact O-N 3.2Å
634	L	97.4	Very high	96.8	Very high	5 Å²	5	46 Å²	46	3%	0.026	21%	0.209	C	C	.	.	H	α-helix	trans	-66.2	-34.8	-178.6	-63.7	177.5	0	0	0	111.7	F629 L632 W638 I693 L694 F697	F629-L634 HydrophobicContact CD1-CB 3.96Å; F629-L634 HydrophobicContact CD1-CD1 3.97Å; F629-L634 HydrophobicContact CE1-CD1 4.21Å; F629-L634 PolarHBondContact O-N 3.06Å; L632-L634 HydrophobicContact CB-CD1 4.11Å; L632-L634 HydrophobicContact CB-CG 3.81Å; L632-L634 HydrophobicContact CD1-CD1 4.14Å; L632-L634 PolarHBondContact O-N 3.47Å; L632-L634 VanDerWaalsContact O-N 3.1Å; L634-W638 WeakPolarHBondContact O-CB 3.44Å; L634-W638 PolarHBondContact O-N 3.49Å; L634-W638 VanDerWaalsContact O-N 3.12Å; L634-I693 HydrophobicContact CD2-CG2 4.32Å; L634-L694 HydrophobicContact CD1-CD1 4.29Å; L634-L694 HydrophobicContact CD2-CB 4.42Å; L634-L694 HydrophobicContact CD2-CD1 4.32Å; L634-F697 HydrophobicContact CD1-CB 4.17Å; L634-F697 HydrophobicContact CD1-CD1 3.7Å; L634-F697 HydrophobicContact CD1-CE1 4.48Å; L634-F697 HydrophobicContact CD1-CG 4.12Å
635	I	97	Very high	96.9	Very high	12 Å²	12	46 Å²	46	6%	0.062	21%	0.209	C	C	.	.	H	α-helix	trans	-59.8	-53.2	179.2	-59.5	178.7	0	0	0	111	I595 F629 H630 N633 R639 I640 L645	I595-I635 HydrophobicContact CD1-CD1 4.23Å; F629-I635 HydrophobicContact CB-CD1 4.08Å; F629-I635 HydrophobicContact CB-CG1 3.93Å; H630-I635 HydrophobicContact CB-CD1 4.04Å; N633-I635 VanDerWaalsContact C-N 3.31Å; N633-I635 PolarHBondContact O-N 2.87Å; I635-R639 CarbonylContact O-C 3.58Å; I635-R639 WeakPolarHBondContact O-CA 3.39Å; I635-R639 PolarHBondContact O-N 3.38Å; I635-R639 VanDerWaalsContact O-N 3.08Å; I635-I640 WeakPolarHBondContact CG2-O 3.17Å; I635-I640 PolarHBondContact O-N 2.94Å; I635-L645 HydrophobicContact CD1-CD2 3.81Å; I635-L645 HydrophobicContact CG1-CD2 3.84Å
636	N	96.5	Very high	96.9	Very high	105 Å²	105	46 Å²	46	56%	0.561	21%	0.209	S	C	*	.	H	α-helix	trans	-76.8	-41.8	-176	-59.8	-40.8	0	0	0	111.5	N633 W638 R639	N633-N636 WeakPolarHBondContact OD1-CB 3.32Å; N633-N636 PolarHBondContact OD1-ND2 2.97Å; N633-N636 VanDerWaalsContact OD1-ND2 3.17Å; N636-W638 VanDerWaalsContact C-N 3.33Å; N636-W638 PolarHBondContact O-N 3.02Å; N636-R639 PolarHBondContact O-N 3.33Å
637	R	95.6	Very high	96.8	Very high	141 Å²	141	47.3 Å²	47.3	53%	0.532	22%	0.215	S	C	.	.	H	α-helix	trans	-56.1	-48.1	-179.3	175.5	69.7	87.4	157	16.7	111.3	N633 D690	N633-R637 WeakPolarHBondContact O-CB 3.37Å; N633-R637 PolarHBondContact O-N 3.2Å; R637-D690 IonicContact CZ-OD1 3.57Å; R637-D690 IonicContact CZ-OD2 3.95Å; R637-D690 IonicContact NE-OD1 2.84Å; R637-D690 IonicContact NE-OD2 3.02Å; R637-D690 PolarHBondContact NE-OD2 3.18Å; R637-D690 IonicContact NH1-OD2 2.95Å; R637-D690 PolarHBondContact NH1-OD2 2.96Å; R637-D690 VanDerWaalsContact NH2-CG 3.31Å; R637-D690 IonicContact NH2-OD1 3.28Å; R637-D690 PolarHBondContact NH2-OD1 2.83Å; R637-D690 IonicContact NH2-OD2 3.89Å; R637-D690 PolarHBondContact NH2-OD2 3.34Å
638	W	96.4	Very high	96.8	Very high	39 Å²	39	47.1 Å²	47.1	15%	0.148	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	8.5	-175.1	-63.6	104.3	0	0	0	113.5	L634 N636 I640 D690 I691 L694 V756	L634-W638 WeakPolarHBondContact O-CB 3.44Å; L634-W638 PolarHBondContact O-N 3.49Å; L634-W638 VanDerWaalsContact O-N 3.12Å; N636-W638 VanDerWaalsContact C-N 3.33Å; N636-W638 PolarHBondContact O-N 3.02Å; W638-I640 HydrophobicContact CB-CD1 4.23Å; W638-I640 HydrophobicContact CB-CG1 3.86Å; W638-I640 PolarHBondContact O-N 3.36Å; W638-D690 HydrophobicContact CZ2-CB 3.88Å; W638-D690 WeakPolarHBondContact CZ2-O 3.36Å; W638-I691 HydrophobicContact CH2-CB 3.88Å; W638-I691 HydrophobicContact CH2-CG1 4.02Å; W638-I691 HydrophobicContact CZ2-CB 4.05Å; W638-I691 HydrophobicContact CZ2-CG1 4.45Å; W638-L694 HydrophobicContact CB-CD2 4.27Å; W638-L694 HydrophobicContact CD2-CD2 3.69Å; W638-L694 HydrophobicContact CE3-CD2 4.3Å; W638-L694 HydrophobicContact CG-CD2 3.65Å; W638-V756 HydrophobicContact CE3-CG1 3.83Å; W638-V756 HydrophobicContact CZ3-CG1 4.29Å
639	R	97.2	Very high	96.8	Very high	192 Å²	192	47.2 Å²	47.2	73%	0.725	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	40.8	-179.6	-54.8	177.3	-176.6	171.9	1.8	112.1	I635 N636 S641 N755	I635-R639 CarbonylContact O-C 3.58Å; I635-R639 WeakPolarHBondContact O-CA 3.39Å; I635-R639 PolarHBondContact O-N 3.38Å; I635-R639 VanDerWaalsContact O-N 3.08Å; N636-R639 PolarHBondContact O-N 3.33Å; R639-S641 PolarHBondContact O-N 3.38Å; R639-N755 HydrophobicContact CB-CB 4.22Å; R639-N755 PolarHBondContact O-ND2 3.47Å
640	I	97.5	Very high	96.6	Very high	7 Å²	7	47.7 Å²	47.7	4%	0.036	22%	0.217	C	C	.	.			trans	-72.1	118.8	-179.5	-50.8	179.6	0	0	0	108.2	F629 I635 W638 R642 L645 L694 I752	F629-I640 HydrophobicContact CD1-CD1 4.43Å; F629-I640 HydrophobicContact CE1-CD1 4.38Å; I635-I640 WeakPolarHBondContact CG2-O 3.17Å; I635-I640 PolarHBondContact O-N 2.94Å; W638-I640 HydrophobicContact CB-CD1 4.23Å; W638-I640 HydrophobicContact CB-CG1 3.86Å; W638-I640 PolarHBondContact O-N 3.36Å; I640-R642 PolarHBondContact O-N 3.5Å; I640-L645 HydrophobicContact CG2-CB 3.9Å; I640-L694 HydrophobicContact CD1-CD1 4.31Å; I640-I752 HydrophobicContact CG2-CB 3.89Å; I640-I752 HydrophobicContact CG2-CG2 3.92Å
641	S	96.7	Very high	96.5	Very high	44 Å²	44	43.6 Å²	43.6	31%	0.308	20%	0.198	S	C	.	.			trans	-60.7	133.1	175.1	162.1	0	0	0	0	110.6	R639 R643 T644 L645	R639-S641 PolarHBondContact O-N 3.38Å; S641-R643 PolarHBondContact O-N 2.84Å; S641-R643 PolarHBondContact OG-N 2.92Å; S641-T644 VanDerWaalsContact CB-OG1 3.31Å; S641-T644 WeakPolarHBondContact CB-OG1 3.26Å; S641-T644 PolarHBondContact O-N 3.08Å; S641-T644 VanDerWaalsContact O-N 3.16Å; S641-T644 PolarHBondContact OG-N 3.25Å; S641-T644 PolarHBondContact OG-OG1 3.41Å; S641-L645 WeakPolarHBondContact O-CB 3.36Å; S641-L645 PolarHBondContact O-N 3.19Å
642	R	95.9	Very high	96.4	Very high	58 Å²	58	41.8 Å²	41.8	22%	0.219	19%	0.185	C	C	.	.	H	α-helix	trans	-53.6	-39.8	175.2	-76.9	-74.7	-61	167.9	2.2	112.5	L590 T591 C593 I640 A646	L590-R642 PolarHBondContact O-NH2 2.9Å; T591-R642 HydrophobicContact CG2-CB 4.44Å; T591-R642 PolarHBondContact O-NE 2.93Å; T591-R642 PolarHBondContact O-NH2 3.48Å; T591-R642 VanDerWaalsContact O-NH2 3.09Å; C593-R642 PolarHBondContact O-NH2 3.34Å; C593-R642 VanDerWaalsContact O-NH2 3.15Å; I640-R642 PolarHBondContact O-N 3.5Å; R642-A646 WeakPolarHBondContact O-CB 3.46Å; R642-A646 PolarHBondContact O-N 3.45Å
643	R	96.1	Very high	96.3	Very high	110 Å²	110	44.1 Å²	44.1	42%	0.415	19%	0.192	S	C	.	.	H	α-helix	trans	-68.7	-46	179.6	-176.4	177.6	176.9	86.1	-1.5	110.9	E584 N588 T591 S641 A646 Q647	E584-R643 IonicContact OE1-NH2 2.64Å; E584-R643 PolarHBondContact OE1-NH2 3.44Å; N588-R643 PolarHBondContact OD1-NH1 3.47Å; T591-R643 HydrophobicContact CG2-CB 3.92Å; T591-R643 HydrophobicContact CG2-CG 4.48Å; S641-R643 PolarHBondContact O-N 2.84Å; S641-R643 PolarHBondContact OG-N 2.92Å; R643-A646 PolarHBondContact O-N 3.46Å; R643-Q647 PolarHBondContact O-N 2.8Å
644	T	96.7	Very high	96.1	Very high	9 Å²	9	47 Å²	47	6%	0.055	20%	0.197	C	C	.	.	H	α-helix	trans	-64	-43.3	179.3	-50.1	0	0	0	0	110.8	S641 Q647 F648 G749 N751 I752 E754	S641-T644 VanDerWaalsContact CB-OG1 3.31Å; S641-T644 WeakPolarHBondContact CB-OG1 3.26Å; S641-T644 PolarHBondContact O-N 3.08Å; S641-T644 VanDerWaalsContact O-N 3.16Å; S641-T644 PolarHBondContact OG-N 3.25Å; S641-T644 PolarHBondContact OG-OG1 3.41Å; T644-Q647 PolarHBondContact O-N 2.97Å; T644-F648 WeakPolarHBondContact O-CB 3.34Å; T644-F648 PolarHBondContact O-N 3.4Å; T644-G749 WeakPolarHBondContact CA-O 3.21Å; T644-G749 WeakPolarHBondContact CG2-O 3.36Å; T644-N751 VanDerWaalsContact CG2-C 3.47Å; T644-N751 WeakPolarHBondContact CG2-O 3.23Å; T644-I752 HydrophobicContact CG2-CG2 4.2Å; T644-E754 PolarHBondContact OG1-OE1 2.99Å
645	L	97.7	Very high	95.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.7	-44	176	-178.3	56.8	0	0	0	112.7	L626 F629 I635 I640 S641 Q647 F648 I649 I752	L626-L645 HydrophobicContact CD1-CD2 3.59Å; L626-L645 HydrophobicContact CD1-CG 3.99Å; F629-L645 HydrophobicContact CB-CD2 3.94Å; F629-L645 HydrophobicContact CD1-CD1 4.08Å; F629-L645 HydrophobicContact CD1-CD2 4.23Å; F629-L645 HydrophobicContact CD2-CD1 3.89Å; F629-L645 HydrophobicContact CD2-CD2 4.28Å; F629-L645 HydrophobicContact CE1-CD1 3.97Å; F629-L645 HydrophobicContact CE2-CD1 3.77Å; F629-L645 HydrophobicContact CG-CD1 4.06Å; F629-L645 HydrophobicContact CG-CD2 3.91Å; F629-L645 HydrophobicContact CZ-CD1 3.83Å; I635-L645 HydrophobicContact CD1-CD2 3.81Å; I635-L645 HydrophobicContact CG1-CD2 3.84Å; I640-L645 HydrophobicContact CG2-CB 3.9Å; S641-L645 WeakPolarHBondContact O-CB 3.36Å; S641-L645 PolarHBondContact O-N 3.19Å; L645-Q647 VanDerWaalsContact C-N 3.31Å; L645-Q647 PolarHBondContact O-N 3.13Å; L645-F648 HydrophobicContact CD1-CD1 4.4Å; L645-F648 PolarHBondContact O-N 2.68Å; L645-I649 HydrophobicContact CD1-CD1 3.92Å; L645-I649 HydrophobicContact CD1-CG1 4.08Å; L645-I649 HydrophobicContact CG-CD1 3.92Å; L645-I649 HydrophobicContact CG-CG1 4.5Å; L645-I649 VanDerWaalsContact O-CG1 3.32Å; L645-I649 WeakPolarHBondContact O-CG1 3.36Å; L645-I649 PolarHBondContact O-N 3.48Å; L645-I752 HydrophobicContact CD1-CG2 4.23Å
646	A	96.9	Very high	95.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.2	-43.8	176.7	0	0	0	0	0	111.5	L590 R642 R643 L650	L590-A646 HydrophobicContact CB-CB 3.95Å; L590-A646 HydrophobicContact CD2-CB 3.97Å; L590-A646 HydrophobicContact CG-CB 3.88Å; R642-A646 WeakPolarHBondContact O-CB 3.46Å; R642-A646 PolarHBondContact O-N 3.45Å; R643-A646 PolarHBondContact O-N 3.46Å; A646-L650 WeakPolarHBondContact O-CD1 3.31Å; A646-L650 VanDerWaalsContact O-CG 3.25Å; A646-L650 WeakPolarHBondContact O-CG 3.24Å; A646-L650 PolarHBondContact O-N 2.81Å
647	Q	95.5	Very high	95.7	Very high	30 Å²	30	48.1 Å²	48.1	14%	0.14	20%	0.196	C	C	.	.	H	α-helix	trans	-67.1	-42.6	178	-163.2	174.3	-33.1	0	0	111.9	K587 R643 T644 L645 L650 M651 E748 G749	K587-Q647 HydrophobicContact CD-CB 3.94Å; K587-Q647 HydrophobicContact CD-CG 3.89Å; K587-Q647 HydrophobicContact CG-CB 4.31Å; R643-Q647 PolarHBondContact O-N 2.8Å; T644-Q647 PolarHBondContact O-N 2.97Å; L645-Q647 VanDerWaalsContact C-N 3.31Å; L645-Q647 PolarHBondContact O-N 3.13Å; Q647-L650 PolarHBondContact O-N 3.33Å; Q647-M651 VanDerWaalsContact O-CB 3.27Å; Q647-M651 WeakPolarHBondContact O-CB 3.32Å; Q647-M651 PolarHBondContact O-N 3.04Å; Q647-E748 PolarHBondContact NE2-O 3.26Å; Q647-G749 WeakPolarHBondContact CB-O 3.45Å; Q647-G749 PolarHBondContact OE1-O 3.16Å
648	F	96.8	Very high	95.7	Very high	1 Å²	1	48.4 Å²	48.4	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-57	-53.3	175	172.6	-97.7	0	0	0	112.1	T644 L645 L650 M651 V652 V698 L701 V744 L745 I752	T644-F648 WeakPolarHBondContact O-CB 3.34Å; T644-F648 PolarHBondContact O-N 3.4Å; L645-F648 HydrophobicContact CD1-CD1 4.4Å; L645-F648 PolarHBondContact O-N 2.68Å; F648-L650 VanDerWaalsContact C-N 3.3Å; F648-L650 PolarHBondContact O-N 2.81Å; F648-M651 PolarHBondContact O-N 3.45Å; F648-M651 VanDerWaalsContact O-N 3.14Å; F648-V652 HydrophobicContact CD1-CG2 4.3Å; F648-V652 HydrophobicContact CD2-CG2 4.04Å; F648-V652 HydrophobicContact CE1-CG2 3.9Å; F648-V652 HydrophobicContact CE2-CG2 3.61Å; F648-V652 HydrophobicContact CG-CG2 4.36Å; F648-V652 HydrophobicContact CZ-CG2 3.52Å; F648-V652 WeakPolarHBondContact O-CG2 3.45Å; F648-V652 PolarHBondContact O-N 3.1Å; F648-V698 HydrophobicContact CZ-CG1 3.88Å; F648-L701 HydrophobicContact CE1-CD1 4.49Å; F648-V744 HydrophobicContact CD2-CG1 3.97Å; F648-V744 HydrophobicContact CE2-CG1 4.12Å; F648-L745 HydrophobicContact CD2-CD2 4.3Å; F648-L745 HydrophobicContact CE2-CD2 4.03Å; F648-I752 HydrophobicContact CB-CG2 3.52Å; F648-I752 HydrophobicContact CD1-CD1 4Å; F648-I752 HydrophobicContact CD1-CG2 4.08Å; F648-I752 HydrophobicContact CD2-CD1 4.3Å; F648-I752 HydrophobicContact CD2-CG1 4.24Å; F648-I752 HydrophobicContact CD2-CG2 4.25Å; F648-I752 HydrophobicContact CE1-CD1 3.85Å; F648-I752 HydrophobicContact CE2-CD1 4.16Å; F648-I752 HydrophobicContact CE2-CG1 4.39Å; F648-I752 HydrophobicContact CG-CD1 4.24Å; F648-I752 HydrophobicContact CG-CG1 4.35Å; F648-I752 HydrophobicContact CG-CG2 3.69Å; F648-I752 HydrophobicContact CZ-CD1 3.94Å
649	I	97.3	Very high	95.6	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-56.4	-46.1	-179.9	-68.8	167	0	0	0	110.8	L590 Y622 T625 L626 L645 R653 W664	L590-I649 HydrophobicContact CD2-CB 4.43Å; L590-I649 HydrophobicContact CD2-CG2 4.39Å; Y622-I649 HydrophobicContact CD1-CG2 4.04Å; Y622-I649 HydrophobicContact CG-CG2 4.42Å; T625-I649 HydrophobicContact CG2-CD1 3.91Å; T625-I649 HydrophobicContact CG2-CG1 4.05Å; L626-I649 HydrophobicContact CD1-CD1 4.14Å; L645-I649 HydrophobicContact CD1-CD1 3.92Å; L645-I649 HydrophobicContact CD1-CG1 4.08Å; L645-I649 HydrophobicContact CG-CD1 3.92Å; L645-I649 HydrophobicContact CG-CG1 4.5Å; L645-I649 VanDerWaalsContact O-CG1 3.32Å; L645-I649 WeakPolarHBondContact O-CG1 3.36Å; L645-I649 PolarHBondContact O-N 3.48Å; I649-R653 PolarHBondContact O-N 3.22Å; I649-W664 HydrophobicContact CG2-CH2 4.39Å
650	L	95.2	Very high	95.6	Very high	10 Å²	10	39.2 Å²	39.2	5%	0.052	18%	0.18	C	C	.	.	H	α-helix	trans	-68.8	-35.2	-179.1	-67.7	170.5	0	0	0	112.4	V582 K586 K587 L590 Y622 A646 Q647 F648 R654	V582-L650 HydrophobicContact CB-CB 4.26Å; V582-L650 HydrophobicContact CG1-CB 3.37Å; V582-L650 HydrophobicContact CG1-CD1 3.41Å; V582-L650 VanDerWaalsContact CG1-CD1 3.41Å; V582-L650 HydrophobicContact CG1-CG 3.96Å; V582-L650 HydrophobicContact CG2-CB 3.82Å; K586-L650 HydrophobicContact CB-CD1 4.47Å; K586-L650 HydrophobicContact CD-CD2 3.87Å; K586-L650 HydrophobicContact CG-CD1 4.26Å; K586-L650 HydrophobicContact CG-CD2 4.02Å; K587-L650 HydrophobicContact CB-CD1 4.14Å; L590-L650 HydrophobicContact CD2-CD1 4.17Å; L590-L650 HydrophobicContact CD2-CD2 4.31Å; L590-L650 HydrophobicContact CD2-CG 3.96Å; Y622-L650 HydrophobicContact CD2-CD2 4.18Å; Y622-L650 HydrophobicContact CE2-CD2 4.35Å; Y622-L650 HydrophobicContact CG-CD2 4.37Å; A646-L650 WeakPolarHBondContact O-CD1 3.31Å; A646-L650 VanDerWaalsContact O-CG 3.25Å; A646-L650 WeakPolarHBondContact O-CG 3.24Å; A646-L650 PolarHBondContact O-N 2.81Å; Q647-L650 PolarHBondContact O-N 3.33Å; F648-L650 VanDerWaalsContact C-N 3.3Å; F648-L650 PolarHBondContact O-N 2.81Å; L650-R654 WeakPolarHBondContact O-CB 3.35Å; L650-R654 PolarHBondContact O-N 2.91Å
651	M	93.9	Very high	95.6	Very high	7 Å²	7	39.4 Å²	39.4	3%	0.034	18%	0.181	C	C	.	.	H	α-helix	trans	-71.9	-43.4	177.5	-172	59.4	115.5	0	0	111.8	M577 M580 V582 Q647 F648 R653 R654 G655 V744 T747	M577-M651 HydrophobicContact CE-CE 3.76Å; M580-M651 HydrophobicContact CB-CE 4.29Å; M580-M651 HydrophobicContact CB-SD 4.32Å; M580-M651 HydrophobicContact CE-SD 4.27Å; M580-M651 VanDerWaalsContact O-SD 3.41Å; V582-M651 HydrophobicContact CG2-CB 4.12Å; V582-M651 HydrophobicContact CG2-SD 4.32Å; Q647-M651 VanDerWaalsContact O-CB 3.27Å; Q647-M651 WeakPolarHBondContact O-CB 3.32Å; Q647-M651 PolarHBondContact O-N 3.04Å; F648-M651 PolarHBondContact O-N 3.45Å; F648-M651 VanDerWaalsContact O-N 3.14Å; M651-R653 PolarHBondContact O-N 3.37Å; M651-R654 WeakPolarHBondContact O-CB 3.49Å; M651-R654 PolarHBondContact O-N 3.13Å; M651-R654 VanDerWaalsContact O-N 3.14Å; M651-G655 PolarHBondContact O-N 2.99Å; M651-V744 HydrophobicContact CB-CG1 4.16Å; M651-V744 HydrophobicContact CG-CB 4.5Å; M651-V744 HydrophobicContact CG-CG1 3.87Å; M651-V744 HydrophobicContact CG-CG2 4.12Å; M651-T747 HydrophobicContact CE-CG2 3.74Å
652	V	95.9	Very high	95.7	Very high	1 Å²	1	39 Å²	39	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-56.8	-51.5	173.7	172.7	0	0	0	0	109.8	F648 R654 G655 Y656 W664 L701 I705 V744	F648-V652 HydrophobicContact CD1-CG2 4.3Å; F648-V652 HydrophobicContact CD2-CG2 4.04Å; F648-V652 HydrophobicContact CE1-CG2 3.9Å; F648-V652 HydrophobicContact CE2-CG2 3.61Å; F648-V652 HydrophobicContact CG-CG2 4.36Å; F648-V652 HydrophobicContact CZ-CG2 3.52Å; F648-V652 WeakPolarHBondContact O-CG2 3.45Å; F648-V652 PolarHBondContact O-N 3.1Å; V652-R654 VanDerWaalsContact C-N 3.27Å; V652-R654 PolarHBondContact O-N 3.34Å; V652-G655 WeakPolarHBondContact O-CA 3.24Å; V652-G655 PolarHBondContact O-N 3.28Å; V652-Y656 HydrophobicContact CG1-CD2 4.24Å; V652-Y656 HydrophobicContact CG1-CE2 3.78Å; V652-Y656 WeakPolarHBondContact O-CD2 3.37Å; V652-Y656 PolarHBondContact O-N 2.68Å; V652-W664 HydrophobicContact CG1-CZ3 3.91Å; V652-L701 WeakPolarHBondContact CG1-O 3.44Å; V652-I705 HydrophobicContact CG1-CD1 4.4Å; V652-V744 HydrophobicContact CG2-CG1 4.05Å
653	R	94.5	Very high	95.7	Very high	74 Å²	74	37.1 Å²	37.1	28%	0.279	17%	0.168	S	C	.	.	H	α-helix	trans	-59.1	-38	176.9	-175	-98.9	-172.6	-172.7	4.8	112.8	E618 Y622 I649 M651 G655 Y656 W664	E618-R653 VanDerWaalsContact CD-NH2 3.32Å; E618-R653 IonicContact OE1-CZ 3.4Å; E618-R653 IonicContact OE1-NE 3.52Å; E618-R653 PolarHBondContact OE1-NE 2.84Å; E618-R653 IonicContact OE1-NH2 3.48Å; E618-R653 PolarHBondContact OE1-NH2 3.27Å; E618-R653 IonicContact OE2-NH2 3.51Å; E618-R653 PolarHBondContact OE2-NH2 2.64Å; Y622-R653 HydrophobicContact CE1-CB 3.98Å; Y622-R653 HydrophobicContact CE1-CG 3.75Å; Y622-R653 VanDerWaalsContact OH-CD 3.31Å; Y622-R653 WeakPolarHBondContact OH-CD 3.21Å; Y622-R653 PolarHBondContact OH-NE 3.31Å; I649-R653 PolarHBondContact O-N 3.22Å; M651-R653 PolarHBondContact O-N 3.37Å; R653-G655 PolarHBondContact O-N 3.31Å; R653-Y656 PolarHBondContact O-N 2.71Å; R653-W664 HydrophobicContact CB-CD2 3.67Å; R653-W664 HydrophobicContact CB-CE3 3.72Å; R653-W664 HydrophobicContact CB-CG 4.14Å; R653-W664 HydrophobicContact CB-CH2 4.39Å; R653-W664 HydrophobicContact CB-CZ2 4.37Å; R653-W664 HydrophobicContact CB-CZ3 4.09Å; R653-W664 HydrophobicContact CG-CB 3.85Å; R653-W664 HydrophobicContact CG-CD2 3.46Å; R653-W664 VanDerWaalsContact CG-CD2 3.46Å; R653-W664 HydrophobicContact CG-CE3 3.99Å; R653-W664 HydrophobicContact CG-CG 3.37Å
654	R	91.9	Very high	95.7	Very high	141 Å²	141	32.3 Å²	32.3	53%	0.532	15%	0.15	S	C	.	.	H	α-helix	trans	-65.8	-28.7	176.7	-172.8	63.2	169.1	-179.1	-0.5	112.4	L650 M651 V652	L650-R654 WeakPolarHBondContact O-CB 3.35Å; L650-R654 PolarHBondContact O-N 2.91Å; M651-R654 WeakPolarHBondContact O-CB 3.49Å; M651-R654 PolarHBondContact O-N 3.13Å; M651-R654 VanDerWaalsContact O-N 3.14Å; V652-R654 VanDerWaalsContact C-N 3.27Å; V652-R654 PolarHBondContact O-N 3.34Å
655	G	92.9	Very high	95.7	Very high	12 Å²	12	33 Å²	33	12%	0.124	15%	0.153	C	C	.	.	H	α-helix	trans	-75.5	-22.1	175.1	0	0	0	0	0	114.1	M651 V652 R653 D706	M651-G655 PolarHBondContact O-N 2.99Å; V652-G655 WeakPolarHBondContact O-CA 3.24Å; V652-G655 PolarHBondContact O-N 3.28Å; R653-G655 PolarHBondContact O-N 3.31Å; G655-D706 WeakPolarHBondContact O-CA 3.45Å; G655-D706 PolarHBondContact O-N 3.47Å
656	Y	95.8	Very high	95.7	Very high	17 Å²	17	33 Å²	33	7%	0.067	15%	0.153	C	C	.	.			trans	-71	134.5	170.9	-81.7	-89.6	0	0	0	111.4	V652 R653 W664 A667 L701 C702 D704 I705	V652-Y656 HydrophobicContact CG1-CD2 4.24Å; V652-Y656 HydrophobicContact CG1-CE2 3.78Å; V652-Y656 WeakPolarHBondContact O-CD2 3.37Å; V652-Y656 PolarHBondContact O-N 2.68Å; R653-Y656 PolarHBondContact O-N 2.71Å; Y656-W664 AromaticContact CD2-CE3 3.93Å; Y656-W664 HydrophobicContact CD2-CE3 3.93Å; Y656-W664 HydrophobicContact CE2-CE3 4.17Å; Y656-W664 HydrophobicContact CG-CB 4.38Å; Y656-A667 HydrophobicContact CD1-CB 4.48Å; Y656-A667 HydrophobicContact CE1-CB 3.65Å; Y656-A667 HydrophobicContact CE2-CB 3.83Å; Y656-A667 WeakPolarHBondContact OH-CB 3.37Å; Y656-L701 WeakPolarHBondContact CE2-O 3.27Å; Y656-L701 PolarHBondContact OH-O 3.5Å; Y656-C702 VanDerWaalsContact OH-C 3.32Å; Y656-D704 HydrophobicContact CE1-CB 3.61Å; Y656-D704 WeakPolarHBondContact CE1-O 3.39Å; Y656-D704 PolarHBondContact OH-N 2.92Å; Y656-I705 HydrophobicContact CD2-CB 4.44Å; Y656-I705 HydrophobicContact CD2-CG1 4.21Å; Y656-I705 HydrophobicContact CE2-CB 4Å; Y656-I705 HydrophobicContact CE2-CG1 4.19Å; Y656-I705 PolarHBondContact OH-N 3.3Å
657	R	94.2	Very high	95.8	Very high	116 Å²	116	33 Å²	33	44%	0.438	15%	0.153	S	C	.	.			trans	-78.5	-179.7	166.8	-63.8	-179.1	-179.1	-99.2	-12.9	109.6	P659 N663 D706 H707	R657-P659 WeakPolarHBondContact O-CD 3.27Å; R657-N663 WeakPolarHBondContact O-CB 3.44Å; R657-D706 IonicContact CZ-OD1 2.99Å; R657-D706 IonicContact NE-OD1 3.98Å; R657-D706 PolarHBondContact NE-OD1 2.84Å; R657-D706 IonicContact NH2-OD1 2.66Å; R657-D706 PolarHBondContact NH2-OD1 2.82Å; R657-D706 IonicContact NH2-OD2 3.17Å; R657-H707 WeakPolarHBondContact CB-O 3.33Å; R657-H707 WeakPolarHBondContact CD-O 3.23Å
658	N	93.9	Very high	95.9	Very high	147 Å²	147	31.6 Å²	31.6	79%	0.786	15%	0.146	S	C	*	.			trans	-117.5	53.4	177.6	-162.2	49.7	0	0	0	112.7
659	P	96.1	Very high	95.9	Very high	18 Å²	18	31.7 Å²	31.7	12%	0.117	15%	0.147	C	C	.	.			trans	-67.6	170.3	164.9	37	-38.2	0	0	0	109.8	R657 Y661 H662 N663 E836	R657-P659 WeakPolarHBondContact O-CD 3.27Å; P659-Y661 VanDerWaalsContact C-N 3.34Å; P659-Y661 PolarHBondContact O-N 2.76Å; P659-H662 HydrophobicContact CG-CB 4.38Å; P659-H662 WeakPolarHBondContact CG-O 3.5Å; P659-N663 PolarHBondContact O-ND2 3.1Å; P659-E836 HydrophobicContact CB-CG 4.45Å; P659-E836 WeakPolarHBondContact CB-OE2 3.37Å
660	A	96.6	Very high	96	Very high	19 Å²	19	31.6 Å²	31.6	16%	0.157	15%	0.146	C	C	.	.	S	Bend	trans	-61.8	-39.3	-171.8	0	0	0	0	0	112.9	N663 L832 E835 E836	A660-N663 PolarHBondContact O-ND2 2.76Å; A660-L832 WeakPolarHBondContact CB-O 3.4Å; A660-E835 HydrophobicContact CB-CB 4.03Å; A660-E835 HydrophobicContact CB-CG 3.97Å; A660-E836 HydrophobicContact CB-CB 4.22Å
661	Y	97.4	Very high	96.2	Very high	12 Å²	12	31.1 Å²	31.1	5%	0.047	14%	0.144	C	C	.	.	S	Bend	trans	-112.5	-61.1	-177.9	-176.4	-110.6	0	0	0	113.8	P659 N663 H666 D818 V829 L832 I833 E836	P659-Y661 VanDerWaalsContact C-N 3.34Å; P659-Y661 PolarHBondContact O-N 2.76Å; Y661-N663 PolarHBondContact O-N 3.47Å; Y661-N663 PolarHBondContact O-ND2 3.07Å; Y661-H666 AromaticContact CE1-CE1 3.73Å; Y661-H666 AromaticContact CE1-ND1 3.69Å; Y661-H666 AromaticContact CZ-CE1 3.75Å; Y661-H666 AromaticContact CZ-ND1 3.43Å; Y661-H666 VanDerWaalsContact O-CB 3.31Å; Y661-H666 WeakPolarHBondContact O-CB 3.48Å; Y661-H666 PolarHBondContact OH-CE1 2.98Å; Y661-H666 PolarHBondContact OH-ND1 3.22Å; Y661-D818 WeakPolarHBondContact CE2-OD2 3.37Å; Y661-D818 PolarHBondContact OH-OD2 3.14Å; Y661-V829 HydrophobicContact CD2-CG1 4.14Å; Y661-V829 HydrophobicContact CE2-CG1 3.49Å; Y661-V829 VanDerWaalsContact CE2-CG1 3.49Å; Y661-L832 HydrophobicContact CD2-CB 4.16Å; Y661-I833 HydrophobicContact CD1-CG1 3.83Å; Y661-I833 HydrophobicContact CD2-CD1 4.43Å; Y661-I833 HydrophobicContact CD2-CG1 3.72Å; Y661-I833 HydrophobicContact CE1-CD1 4.32Å; Y661-I833 HydrophobicContact CE1-CG1 4.09Å; Y661-I833 HydrophobicContact CE2-CD1 4.22Å; Y661-I833 HydrophobicContact CE2-CG1 4.01Å; Y661-I833 HydrophobicContact CG-CG1 3.62Å; Y661-E836 PolarHBondContact N-OE2 2.99Å
662	H	97.7	Very high	96.4	Very high	35 Å²	35	30.9 Å²	30.9	16%	0.162	14%	0.143	C	C	.	.	S	Bend	trans	-77.7	63.4	-171.5	-57.3	99.3	0	0	0	112.3	P659 D704 H707 E836	P659-H662 HydrophobicContact CG-CB 4.38Å; P659-H662 WeakPolarHBondContact CG-O 3.5Å; H662-D704 IonicContact CD2-OD2 3.03Å; H662-D704 PolarHBondContact CD2-OD2 3.36Å; H662-D704 IonicContact CG-OD2 3.56Å; H662-H707 HydrophobicContact CB-CB 4.06Å; H662-H707 VanDerWaalsContact CB-ND1 3.33Å; H662-H707 WeakPolarHBondContact CB-ND1 3.41Å; H662-H707 AromaticContact CG-CE1 3.71Å; H662-H707 AromaticContact CG-ND1 3.73Å; H662-H707 AromaticContact ND1-CE1 3.43Å; H662-H707 PolarHBondContact ND1-CE1 3.48Å; H662-H707 AromaticContact ND1-ND1 3.81Å; H662-E836 IonicContact CE1-OE1 3.4Å; H662-E836 PolarHBondContact CE1-OE1 3.49Å; H662-E836 IonicContact CG-OE1 3.49Å; H662-E836 PolarHBondContact N-OE2 3.32Å; H662-E836 VanDerWaalsContact N-OE2 3.15Å; H662-E836 IonicContact ND1-OE1 3.28Å; H662-E836 PolarHBondContact ND1-OE1 3.28Å; H662-E836 IonicContact ND1-OE2 3.15Å
663	N	96.6	Very high	96.5	Very high	19 Å²	19	30.8 Å²	30.8	10%	0.102	14%	0.142	C	C	.	.	S	Bend	trans	-117.8	-175.2	179.7	59.7	49.6	0	0	0	110.8	R657 P659 A660 Y661 M665 H666 A667	R657-N663 WeakPolarHBondContact O-CB 3.44Å; P659-N663 PolarHBondContact O-ND2 3.1Å; A660-N663 PolarHBondContact O-ND2 2.76Å; Y661-N663 PolarHBondContact O-N 3.47Å; Y661-N663 PolarHBondContact O-ND2 3.07Å; N663-M665 PolarHBondContact O-N 3.41Å; N663-M665 VanDerWaalsContact OD1-CB 3.29Å; N663-M665 WeakPolarHBondContact OD1-CB 3.15Å; N663-M665 PolarHBondContact OD1-N 2.87Å; N663-H666 WeakPolarHBondContact O-CB 3.3Å; N663-H666 PolarHBondContact O-N 2.96Å; N663-A667 PolarHBondContact O-N 3.11Å
664	W	96.8	Very high	96.7	Very high	8 Å²	8	27.4 Å²	27.4	3%	0.03	13%	0.13	C	C	.	.	H	α-helix	trans	-55.7	-34.9	-179.1	170.5	-108.3	0	0	0	114.1	T621 Y622 I649 V652 R653 Y656 H666 A667 F668 L701	T621-W664 PolarHBondContact OG1-NE1 3.07Å; Y622-W664 AromaticContact CD1-CZ2 3.92Å; Y622-W664 HydrophobicContact CD1-CZ2 3.92Å; Y622-W664 AromaticContact CE1-CE2 3.95Å; Y622-W664 HydrophobicContact CE1-CZ2 4.13Å; Y622-W664 AromaticContact CE1-NE1 3.67Å; I649-W664 HydrophobicContact CG2-CH2 4.39Å; V652-W664 HydrophobicContact CG1-CZ3 3.91Å; R653-W664 HydrophobicContact CB-CD2 3.67Å; R653-W664 HydrophobicContact CB-CE3 3.72Å; R653-W664 HydrophobicContact CB-CG 4.14Å; R653-W664 HydrophobicContact CB-CH2 4.39Å; R653-W664 HydrophobicContact CB-CZ2 4.37Å; R653-W664 HydrophobicContact CB-CZ3 4.09Å; R653-W664 HydrophobicContact CG-CB 3.85Å; R653-W664 HydrophobicContact CG-CD2 3.46Å; R653-W664 VanDerWaalsContact CG-CD2 3.46Å; R653-W664 HydrophobicContact CG-CE3 3.99Å; R653-W664 HydrophobicContact CG-CG 3.37Å; Y656-W664 AromaticContact CD2-CE3 3.93Å; Y656-W664 HydrophobicContact CD2-CE3 3.93Å; Y656-W664 HydrophobicContact CE2-CE3 4.17Å; Y656-W664 HydrophobicContact CG-CB 4.38Å; W664-H666 VanDerWaalsContact C-N 3.29Å; W664-H666 PolarHBondContact O-N 2.81Å; W664-A667 HydrophobicContact CE3-CB 4.49Å; W664-A667 PolarHBondContact O-N 2.78Å; W664-F668 VanDerWaalsContact O-CB 3.32Å; W664-F668 WeakPolarHBondContact O-CB 3.3Å; W664-F668 PolarHBondContact O-N 2.94Å; W664-L701 HydrophobicContact CH2-CD2 4.08Å; W664-L701 HydrophobicContact CZ3-CD2 4.36Å
665	M	96.7	Very high	97	Very high	24 Å²	24	20.9 Å²	20.9	12%	0.118	11%	0.105	C	C	.	.	H	α-helix	trans	-66.6	-33.4	179.3	-171.6	71	-111.8	0	0	111.6	P612 R613 T621 N663 F668 S669	P612-M665 WeakPolarHBondContact O-CE 3.48Å; R613-M665 HydrophobicContact CB-CE 4.36Å; R613-M665 HydrophobicContact CG-CE 4.04Å; R613-M665 HydrophobicContact CG-CG 4.17Å; T621-M665 HydrophobicContact CG2-CE 4.47Å; T621-M665 HydrophobicContact CG2-SD 4.41Å; N663-M665 PolarHBondContact O-N 3.41Å; N663-M665 VanDerWaalsContact OD1-CB 3.29Å; N663-M665 WeakPolarHBondContact OD1-CB 3.15Å; N663-M665 PolarHBondContact OD1-N 2.87Å; M665-F668 HydrophobicContact CE-CD1 3.45Å; M665-F668 VanDerWaalsContact CE-CD1 3.45Å; M665-F668 HydrophobicContact CE-CE1 4.08Å; M665-F668 HydrophobicContact CE-CG 4.39Å; M665-S669 WeakPolarHBondContact O-CB 3.11Å; M665-S669 PolarHBondContact O-N 3.28Å; M665-S669 VanDerWaalsContact O-N 3.09Å; M665-S669 PolarHBondContact O-OG 3.46Å
666	H	97.5	Very high	97.2	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-63.5	-57.8	170.4	175.5	58.8	0	0	0	110.5	Y661 N663 W664 F668 S669 V670 H703 D704 D815	Y661-H666 AromaticContact CE1-CE1 3.73Å; Y661-H666 AromaticContact CE1-ND1 3.69Å; Y661-H666 AromaticContact CZ-CE1 3.75Å; Y661-H666 AromaticContact CZ-ND1 3.43Å; Y661-H666 VanDerWaalsContact O-CB 3.31Å; Y661-H666 WeakPolarHBondContact O-CB 3.48Å; Y661-H666 PolarHBondContact OH-CE1 2.98Å; Y661-H666 PolarHBondContact OH-ND1 3.22Å; N663-H666 WeakPolarHBondContact O-CB 3.3Å; N663-H666 PolarHBondContact O-N 2.96Å; W664-H666 VanDerWaalsContact C-N 3.29Å; W664-H666 PolarHBondContact O-N 2.81Å; H666-F668 VanDerWaalsContact C-N 3.25Å; H666-F668 PolarHBondContact O-N 3.25Å; H666-F668 VanDerWaalsContact O-N 3.16Å; H666-S669 WeakPolarHBondContact O-CA 3.16Å; H666-S669 WeakPolarHBondContact O-CB 3.36Å; H666-S669 PolarHBondContact O-N 2.86Å; H666-V670 VanDerWaalsContact CE1-CG2 3.45Å; H666-V670 WeakPolarHBondContact CE1-CG2 3.43Å; H666-V670 WeakPolarHBondContact O-CG2 3.27Å; H666-V670 PolarHBondContact O-N 3.45Å; H666-H703 AromaticContact CD2-CE1 3.93Å; H666-H703 AromaticContact CD2-NE2 3.65Å; H666-H703 AromaticContact NE2-CE1 3.81Å; H666-H703 AromaticContact NE2-NE2 3.27Å; H666-H703 PolarHBondContact NE2-NE2 3.12Å; H666-D704 IonicContact CD2-OD2 3.34Å; H666-D704 PolarHBondContact CD2-OD2 3.22Å; H666-D704 IonicContact NE2-OD2 2.69Å; H666-D704 PolarHBondContact NE2-OD2 3.47Å; H666-D815 PolarHBondContact CE1-O 3.19Å; H666-D815 IonicContact CE1-OD1 3.44Å; H666-D815 PolarHBondContact CE1-OD1 2.85Å; H666-D815 VanDerWaalsContact CE1-OD1 3.28Å; H666-D815 IonicContact NE2-OD1 3.48Å; H666-D815 PolarHBondContact NE2-OD1 3.22Å
667	A	98.2	Very high	97.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-53.6	-41.4	179.2	0	0	0	0	0	113.5	Y656 N663 W664 V670 A671	Y656-A667 HydrophobicContact CD1-CB 4.48Å; Y656-A667 HydrophobicContact CE1-CB 3.65Å; Y656-A667 HydrophobicContact CE2-CB 3.83Å; Y656-A667 WeakPolarHBondContact OH-CB 3.37Å; N663-A667 PolarHBondContact O-N 3.11Å; W664-A667 HydrophobicContact CE3-CB 4.49Å; W664-A667 PolarHBondContact O-N 2.78Å; A667-V670 PolarHBondContact O-N 2.91Å; A667-A671 WeakPolarHBondContact O-CB 3.29Å; A667-A671 PolarHBondContact O-N 3.46Å
668	F	98	Very high	97.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.8	-40.5	174.1	174.6	-94.6	0	0	0	112.7	P612 I615 T621 C624 T625 M628 W664 M665 H666 A671 H672	P612-F668 HydrophobicContact CB-CD1 4.01Å; P612-F668 HydrophobicContact CB-CE1 3.63Å; I615-F668 HydrophobicContact CD1-CE1 3.81Å; I615-F668 HydrophobicContact CD1-CZ 3.7Å; T621-F668 HydrophobicContact CG2-CD1 4.01Å; T621-F668 HydrophobicContact CG2-CD2 4.33Å; T621-F668 HydrophobicContact CG2-CE1 4.08Å; T621-F668 HydrophobicContact CG2-CE2 4.42Å; T621-F668 HydrophobicContact CG2-CG 4.1Å; T621-F668 HydrophobicContact CG2-CZ 4.29Å; T621-F668 VanDerWaalsContact O-CE2 3.26Å; T621-F668 WeakPolarHBondContact O-CE2 3.47Å; C624-F668 HydrophobicContact CB-CE2 3.87Å; C624-F668 HydrophobicContact CB-CZ 3.73Å; T625-F668 WeakPolarHBondContact OG1-CD2 3.18Å; M628-F668 HydrophobicContact CE-CD2 4.26Å; M628-F668 HydrophobicContact CE-CE2 3.73Å; M628-F668 HydrophobicContact CE-CZ 4.38Å; W664-F668 VanDerWaalsContact O-CB 3.32Å; W664-F668 WeakPolarHBondContact O-CB 3.3Å; W664-F668 PolarHBondContact O-N 2.94Å; M665-F668 HydrophobicContact CE-CD1 3.45Å; M665-F668 VanDerWaalsContact CE-CD1 3.45Å; M665-F668 HydrophobicContact CE-CE1 4.08Å; M665-F668 HydrophobicContact CE-CG 4.39Å; H666-F668 VanDerWaalsContact C-N 3.25Å; H666-F668 PolarHBondContact O-N 3.25Å; H666-F668 VanDerWaalsContact O-N 3.16Å; F668-A671 PolarHBondContact O-N 3.32Å; F668-H672 WeakPolarHBondContact O-CB 3.43Å; F668-H672 PolarHBondContact O-N 2.74Å
669	S	97.5	Very high	97.5	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.014	6%	0.06	C	C	.	.	H	α-helix	trans	-66.7	-39.4	177.9	-57.8	0	0	0	0	111.6	M665 H666 H672 F673	M665-S669 WeakPolarHBondContact O-CB 3.11Å; M665-S669 PolarHBondContact O-N 3.28Å; M665-S669 VanDerWaalsContact O-N 3.09Å; M665-S669 PolarHBondContact O-OG 3.46Å; H666-S669 WeakPolarHBondContact O-CA 3.16Å; H666-S669 WeakPolarHBondContact O-CB 3.36Å; H666-S669 PolarHBondContact O-N 2.86Å; S669-H672 PolarHBondContact O-N 3.33Å; S669-F673 PolarHBondContact O-N 2.91Å
670	V	98.6	Very high	97.5	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.006	7%	0.071	C	C	.	.	H	α-helix	trans	-63.1	-48.4	173.9	177.9	0	0	0	0	110.8	H666 A667 H672 F673 V674 M811 A814	H666-V670 VanDerWaalsContact CE1-CG2 3.45Å; H666-V670 WeakPolarHBondContact CE1-CG2 3.43Å; H666-V670 WeakPolarHBondContact O-CG2 3.27Å; H666-V670 PolarHBondContact O-N 3.45Å; A667-V670 PolarHBondContact O-N 2.91Å; V670-H672 VanDerWaalsContact C-N 3.31Å; V670-H672 PolarHBondContact O-N 2.88Å; V670-F673 PolarHBondContact O-N 3.41Å; V670-F673 VanDerWaalsContact O-N 3.11Å; V670-V674 PolarHBondContact O-N 3.45Å; V670-M811 HydrophobicContact CG1-CE 3.5Å; V670-M811 VanDerWaalsContact CG1-CE 3.5Å; V670-M811 HydrophobicContact CG1-SD 4.45Å; V670-A814 HydrophobicContact CG1-CB 3.68Å
671	A	98.6	Very high	97.4	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-61.5	-38.4	175.7	0	0	0	0	0	112.8	A667 F668 V674 Y675 F697 S700 L701	A667-A671 WeakPolarHBondContact O-CB 3.29Å; A667-A671 PolarHBondContact O-N 3.46Å; F668-A671 PolarHBondContact O-N 3.32Å; A671-V674 PolarHBondContact O-N 3.49Å; A671-Y675 PolarHBondContact O-N 3.37Å; A671-F697 HydrophobicContact CB-CE2 4.37Å; A671-F697 WeakPolarHBondContact O-CE2 3.37Å; A671-S700 VanDerWaalsContact CA-OG 3.24Å; A671-S700 WeakPolarHBondContact CA-OG 3.31Å; A671-S700 VanDerWaalsContact CB-OG 3.3Å; A671-S700 WeakPolarHBondContact CB-OG 3.26Å; A671-L701 HydrophobicContact CB-CD2 3.48Å; A671-L701 VanDerWaalsContact CB-CD2 3.48Å; A671-L701 HydrophobicContact CB-CG 3.83Å
672	H	98.2	Very high	97.2	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-62.7	-41	172.8	167.9	-93.9	0	0	0	112.1	A605 S610 P612 M628 F668 S669 V670 Y675 V676	A605-H672 PolarHBondContact O-NE2 3.26Å; S610-H672 PolarHBondContact OG-CE1 3.28Å; S610-H672 PolarHBondContact OG-NE2 2.96Å; P612-H672 HydrophobicContact CB-CB 4.02Å; P612-H672 HydrophobicContact CG-CB 4.22Å; P612-H672 WeakPolarHBondContact CG-ND1 3.44Å; M628-H672 HydrophobicContact SD-CB 4.23Å; F668-H672 WeakPolarHBondContact O-CB 3.43Å; F668-H672 PolarHBondContact O-N 2.74Å; S669-H672 PolarHBondContact O-N 3.33Å; V670-H672 VanDerWaalsContact C-N 3.31Å; V670-H672 PolarHBondContact O-N 2.88Å; H672-Y675 WeakPolarHBondContact O-CB 3.31Å; H672-Y675 PolarHBondContact O-N 3.19Å; H672-V676 WeakPolarHBondContact O-CG2 3.38Å; H672-V676 PolarHBondContact O-N 2.84Å
673	F	98.3	Very high	97	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.9	-41.6	175.3	-167.4	-89.6	0	0	0	112.1	F608 S669 V670 Y675 V676 C677 A814 S817 Y878 I891	F608-F673 AromaticContact CD1-CE2 3.93Å; F608-F673 HydrophobicContact CD1-CE2 3.93Å; F608-F673 HydrophobicContact CD1-CZ 4.14Å; F608-F673 HydrophobicContact CE1-CE2 4.32Å; F608-F673 HydrophobicContact CE1-CZ 4.11Å; S669-F673 PolarHBondContact O-N 2.91Å; V670-F673 PolarHBondContact O-N 3.41Å; V670-F673 VanDerWaalsContact O-N 3.11Å; F673-Y675 VanDerWaalsContact C-N 3.3Å; F673-Y675 PolarHBondContact O-N 2.62Å; F673-V676 WeakPolarHBondContact O-CB 3.28Å; F673-V676 PolarHBondContact O-N 3.13Å; F673-V676 VanDerWaalsContact O-N 3.15Å; F673-C677 WeakPolarHBondContact CE1-SG 3.5Å; F673-C677 PolarHBondContact O-N 3.48Å; F673-C677 PolarHBondContact O-SG 3.32Å; F673-A814 HydrophobicContact CB-CB 4.17Å; F673-A814 VanDerWaalsContact CD1-CA 3.46Å; F673-A814 HydrophobicContact CD1-CB 3.81Å; F673-A814 HydrophobicContact CG-CB 4.4Å; F673-S817 VanDerWaalsContact CG-CB 3.4Å; F673-Y878 AromaticContact CZ-CE1 3.98Å; F673-Y878 HydrophobicContact CZ-CE1 3.98Å; F673-I891 HydrophobicContact CE2-CD1 4.38Å; F673-I891 HydrophobicContact CZ-CD1 4.1Å
674	V	98.5	Very high	96.3	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.012	9%	0.085	C	C	.	.	H	α-helix	trans	-57.9	-43.9	171.9	171.6	0	0	0	0	110.9	V670 A671 V676 C677 I678 L696 F697 A814	V670-V674 PolarHBondContact O-N 3.45Å; A671-V674 PolarHBondContact O-N 3.49Å; V674-V676 PolarHBondContact O-N 3.05Å; V674-C677 WeakPolarHBondContact O-CB 3.25Å; V674-C677 PolarHBondContact O-N 3.06Å; V674-I678 HydrophobicContact CG1-CD1 3.71Å; V674-I678 HydrophobicContact CG1-CG1 4.36Å; V674-I678 VanDerWaalsContact O-CG1 3.3Å; V674-I678 WeakPolarHBondContact O-CG1 3.24Å; V674-I678 PolarHBondContact O-N 3.03Å; V674-L696 HydrophobicContact CG1-CD2 3.9Å; V674-L696 HydrophobicContact CG1-CG 3.74Å; V674-L696 HydrophobicContact CG2-CG 4.44Å; V674-F697 HydrophobicContact CB-CD2 4.47Å; V674-F697 HydrophobicContact CG1-CD2 3.99Å; V674-A814 HydrophobicContact CG2-CB 3.53Å
675	Y	98.3	Very high	95.3	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.016	11%	0.114	C	C	.	.	H	α-helix	trans	-57.5	-46.1	174.3	166.5	-93.9	0	0	0	112.2	I598 M628 S631 L632 A671 H672 F673 C677 I678 K679	I598-Y675 HydrophobicContact CD1-CD1 4.08Å; I598-Y675 HydrophobicContact CD1-CE1 3.64Å; I598-Y675 HydrophobicContact CD1-CE2 4.49Å; M628-Y675 HydrophobicContact CB-CD2 3.9Å; M628-Y675 HydrophobicContact CB-CE2 4.4Å; M628-Y675 HydrophobicContact CB-CG 4.38Å; M628-Y675 HydrophobicContact CG-CD1 4.31Å; M628-Y675 HydrophobicContact CG-CD2 3.74Å; M628-Y675 HydrophobicContact CG-CE2 4.19Å; M628-Y675 HydrophobicContact CG-CG 3.81Å; M628-Y675 VanDerWaalsContact SD-CB 3.56Å; M628-Y675 HydrophobicContact SD-CD1 4.24Å; M628-Y675 HydrophobicContact SD-CD2 4.27Å; M628-Y675 HydrophobicContact SD-CG 3.77Å; S631-Y675 PolarHBondContact OG-OH 2.71Å; S631-Y675 VanDerWaalsContact OG-OH 3.04Å; L632-Y675 HydrophobicContact CD1-CD2 3.94Å; L632-Y675 HydrophobicContact CD2-CD2 3.84Å; L632-Y675 HydrophobicContact CD2-CE2 4.06Å; L632-Y675 HydrophobicContact CG-CD2 3.73Å; L632-Y675 HydrophobicContact CG-CE2 4.07Å; A671-Y675 PolarHBondContact O-N 3.37Å; H672-Y675 WeakPolarHBondContact O-CB 3.31Å; H672-Y675 PolarHBondContact O-N 3.19Å; F673-Y675 VanDerWaalsContact C-N 3.3Å; F673-Y675 PolarHBondContact O-N 2.62Å; Y675-C677 VanDerWaalsContact C-N 3.35Å; Y675-C677 PolarHBondContact O-N 2.92Å; Y675-I678 PolarHBondContact O-N 3.24Å; Y675-K679 HydrophobicContact CD1-CG 4.5Å; Y675-K679 HydrophobicContact CD2-CG 4.34Å; Y675-K679 HydrophobicContact CE1-CG 4.04Å; Y675-K679 HydrophobicContact CE2-CD 4.35Å; Y675-K679 HydrophobicContact CE2-CG 3.87Å; Y675-K679 WeakPolarHBondContact O-CG 3.44Å; Y675-K679 PolarHBondContact O-N 2.84Å; Y675-K679 WeakPolarHBondContact OH-CE 3.45Å
676	V	97.8	Very high	94.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.1	-43	176.6	172.1	0	0	0	0	111	A605 F608 H672 F673 V674 K679 N680	A605-V676 WeakPolarHBondContact O-CG2 3.27Å; F608-V676 HydrophobicContact CB-CG1 4.48Å; F608-V676 HydrophobicContact CD1-CG1 3.42Å; F608-V676 VanDerWaalsContact CD1-CG1 3.42Å; F608-V676 HydrophobicContact CD2-CG1 4.25Å; F608-V676 HydrophobicContact CE1-CG1 3.57Å; F608-V676 HydrophobicContact CE2-CG1 4.36Å; F608-V676 HydrophobicContact CG-CG1 3.79Å; F608-V676 HydrophobicContact CZ-CG1 4.04Å; H672-V676 WeakPolarHBondContact O-CG2 3.38Å; H672-V676 PolarHBondContact O-N 2.84Å; F673-V676 WeakPolarHBondContact O-CB 3.28Å; F673-V676 PolarHBondContact O-N 3.13Å; F673-V676 VanDerWaalsContact O-N 3.15Å; V674-V676 PolarHBondContact O-N 3.05Å; V676-K679 PolarHBondContact O-N 3.25Å; V676-N680 WeakPolarHBondContact CG1-ND2 3.29Å; V676-N680 PolarHBondContact O-N 3.42Å; V676-N680 PolarHBondContact O-ND2 3.49Å
677	C	97.7	Very high	94	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.014	16%	0.157	C	C	.	.	H	α-helix	trans	-59	-50.5	174.4	-72.7	0	0	0	0	111.3	F673 V674 Y675 K679 N680 L681 L683 L810	F673-C677 WeakPolarHBondContact CE1-SG 3.5Å; F673-C677 PolarHBondContact O-N 3.48Å; F673-C677 PolarHBondContact O-SG 3.32Å; V674-C677 WeakPolarHBondContact O-CB 3.25Å; V674-C677 PolarHBondContact O-N 3.06Å; Y675-C677 VanDerWaalsContact C-N 3.35Å; Y675-C677 PolarHBondContact O-N 2.92Å; C677-K679 PolarHBondContact O-N 2.8Å; C677-N680 PolarHBondContact O-N 2.99Å; C677-L681 HydrophobicContact CB-CD1 4Å; C677-L681 WeakPolarHBondContact O-CB 3.46Å; C677-L681 VanDerWaalsContact O-CG 3.3Å; C677-L681 WeakPolarHBondContact O-CG 3.42Å; C677-L681 PolarHBondContact O-N 2.86Å; C677-L683 HydrophobicContact CB-CD1 4.17Å; C677-L810 HydrophobicContact CB-CD2 4.21Å
678	I	97.3	Very high	93.9	Very high	17 Å²	17	29 Å²	29	9%	0.087	16%	0.159	C	C	.	.	H	α-helix	trans	-61.6	-31.7	-179.9	-62	161.7	0	0	0	111.7	L632 V674 Y675 L683 I693	L632-I678 HydrophobicContact CD1-CD1 3.91Å; L632-I678 HydrophobicContact CD2-CB 3.99Å; L632-I678 HydrophobicContact CD2-CG2 3.55Å; V674-I678 HydrophobicContact CG1-CD1 3.71Å; V674-I678 HydrophobicContact CG1-CG1 4.36Å; V674-I678 VanDerWaalsContact O-CG1 3.3Å; V674-I678 WeakPolarHBondContact O-CG1 3.24Å; V674-I678 PolarHBondContact O-N 3.03Å; Y675-I678 PolarHBondContact O-N 3.24Å; I678-L683 HydrophobicContact CG1-CD1 4.27Å; I678-I693 HydrophobicContact CD1-CG2 3.99Å; I678-I693 HydrophobicContact CG1-CD1 4.3Å; I678-I693 HydrophobicContact CG2-CG2 4.43Å
679	K	95.4	Very high	93.7	Very high	84 Å²	84	33.8 Å²	33.8	37%	0.365	19%	0.185	S	C	.	.	H	α-helix	trans	-77.7	-34.7	179	-74.4	-61.4	-173.2	-174	0	114.7	S631 L632 Y675 V676 C677	S631-K679 PolarHBondContact O-NZ 3.09Å; S631-K679 WeakPolarHBondContact OG-CE 3.25Å; S631-K679 PolarHBondContact OG-NZ 3.28Å; L632-K679 HydrophobicContact CD2-CD 4.37Å; L632-K679 HydrophobicContact CD2-CG 4.49Å; Y675-K679 HydrophobicContact CD1-CG 4.5Å; Y675-K679 HydrophobicContact CD2-CG 4.34Å; Y675-K679 HydrophobicContact CE1-CG 4.04Å; Y675-K679 HydrophobicContact CE2-CD 4.35Å; Y675-K679 HydrophobicContact CE2-CG 3.87Å; Y675-K679 WeakPolarHBondContact O-CG 3.44Å; Y675-K679 PolarHBondContact O-N 2.84Å; Y675-K679 WeakPolarHBondContact OH-CE 3.45Å; V676-K679 PolarHBondContact O-N 3.25Å; C677-K679 PolarHBondContact O-N 2.8Å
680	N	94.9	Very high	93.6	Very high	66 Å²	66	36.9 Å²	36.9	35%	0.353	20%	0.201	S	C	.	.	H	α-helix	trans	-103.7	-20.1	-172.9	-64	-71	0	0	0	114.1	S606 F608 V676 C677	S606-N680 PolarHBondContact O-ND2 3.38Å; F608-N680 HydrophobicContact CE2-CB 3.93Å; F608-N680 HydrophobicContact CZ-CB 4.26Å; V676-N680 WeakPolarHBondContact CG1-ND2 3.29Å; V676-N680 PolarHBondContact O-N 3.42Å; V676-N680 PolarHBondContact O-ND2 3.49Å; C677-N680 PolarHBondContact O-N 2.99Å
681	L	95.6	Very high	93.5	Very high	8 Å²	8	37.5 Å²	37.5	4%	0.042	20%	0.204	C	C	.	.	S	Bend	trans	-103.8	152.1	-176.6	-52.8	-175	0	0	0	110	F608 C677 L683 L810 Y885 Q887	F608-L681 HydrophobicContact CZ-CD2 4.38Å; C677-L681 HydrophobicContact CB-CD1 4Å; C677-L681 WeakPolarHBondContact O-CB 3.46Å; C677-L681 VanDerWaalsContact O-CG 3.3Å; C677-L681 WeakPolarHBondContact O-CG 3.42Å; C677-L681 PolarHBondContact O-N 2.86Å; L681-L683 HydrophobicContact CB-CD1 4.27Å; L681-L683 HydrophobicContact CB-CD2 4.44Å; L681-L683 HydrophobicContact CB-CG 3.85Å; L681-L683 PolarHBondContact O-N 3.5Å; L681-L810 HydrophobicContact CD1-CD2 4.33Å; L681-Y885 HydrophobicContact CB-CD1 4.27Å; L681-Y885 HydrophobicContact CB-CE1 4.42Å; L681-Y885 HydrophobicContact CD1-CD1 4.37Å; L681-Y885 HydrophobicContact CD1-CD2 3.82Å; L681-Y885 HydrophobicContact CD1-CE2 4.19Å; L681-Y885 HydrophobicContact CD1-CG 3.92Å; L681-Y885 HydrophobicContact CD2-CD1 4.08Å; L681-Y885 HydrophobicContact CD2-CG 3.84Å; L681-Y885 HydrophobicContact CG-CD1 4.47Å; L681-Y885 HydrophobicContact CG-CG 4.33Å; L681-Q887 HydrophobicContact CD2-CB 4.08Å
682	P	92.6	Very high	93.5	Very high	50 Å²	50	37.8 Å²	37.8	33%	0.325	21%	0.206	S	C	.	.	S	Bend	trans	-74.8	33.2	-178.7	33.3	-37.1	0	0	0	113.7	N685 Y885	P682-N685 CarbonylContact O-C 3.55Å; P682-N685 PolarHBondContact O-N 2.93Å; P682-Y885 HydrophobicContact CG-CD1 4.43Å; P682-Y885 HydrophobicContact CG-CE1 4.1Å
683	L	93.7	Very high	93.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-63.2	-57.1	-173.5	-61.5	177.2	0	0	0	111.9	C677 I678 L681 N685 Q687 L688 I693 L806 L810 Y885	C677-L683 HydrophobicContact CB-CD1 4.17Å; I678-L683 HydrophobicContact CG1-CD1 4.27Å; L681-L683 HydrophobicContact CB-CD1 4.27Å; L681-L683 HydrophobicContact CB-CD2 4.44Å; L681-L683 HydrophobicContact CB-CG 3.85Å; L681-L683 PolarHBondContact O-N 3.5Å; L683-N685 PolarHBondContact O-N 3.29Å; L683-Q687 PolarHBondContact O-N 3.2Å; L683-Q687 VanDerWaalsContact O-N 3.14Å; L683-L688 HydrophobicContact CB-CD1 4.41Å; L683-L688 HydrophobicContact CD2-CD1 4.38Å; L683-L688 PolarHBondContact O-N 3Å; L683-I693 HydrophobicContact CB-CD1 4.06Å; L683-L806 HydrophobicContact CD2-CD1 4.48Å; L683-L806 HydrophobicContact CD2-CD2 4.06Å; L683-L810 HydrophobicContact CD1-CD1 3.68Å; L683-L810 HydrophobicContact CD1-CD2 3.99Å; L683-L810 HydrophobicContact CD2-CD1 3.84Å; L683-L810 HydrophobicContact CD2-CD2 4.46Å; L683-L810 HydrophobicContact CG-CD1 4.41Å; L683-Y885 WeakPolarHBondContact CD2-OH 3.14Å
684	A	81.8	Confident	93.4	Very high	48 Å²	48	38.1 Å²	38.1	40%	0.397	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-10	177.8	0	0	0	0	0	113.3	I693	A684-I693 HydrophobicContact CB-CD1 4.5Å; A684-I693 HydrophobicContact CB-CG1 4.49Å
685	N	75.5	Confident	93.4	Very high	120 Å²	120	38 Å²	38	64%	0.642	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.5	57.8	-178.5	-67.7	-20	0	0	0	110.4	P682 L683	P682-N685 CarbonylContact O-C 3.55Å; P682-N685 PolarHBondContact O-N 2.93Å; L683-N685 PolarHBondContact O-N 3.29Å
686	N	75.9	Confident	93.4	Very high	163 Å²	163	37.9 Å²	37.9	87%	0.872	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	103.4	9.8	171.5	-47.4	-31.8	0	0	0	117.8
687	Q	91.3	Very high	93.5	Very high	33 Å²	33	37.9 Å²	37.9	15%	0.154	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-55.7	176.4	-64.4	-171.2	-52.7	0	0	112.9	L683 Y795 H803 L806 Y885	L683-Q687 PolarHBondContact O-N 3.2Å; L683-Q687 VanDerWaalsContact O-N 3.14Å; Q687-Y795 HydrophobicContact CB-CD1 4.11Å; Q687-Y795 HydrophobicContact CB-CE1 3.69Å; Q687-Y795 HydrophobicContact CG-CD1 3.84Å; Q687-Y795 HydrophobicContact CG-CE1 3.93Å; Q687-Y795 PolarHBondContact O-OH 3.15Å; Q687-H803 PolarHBondContact O-CE1 2.69Å; Q687-H803 VanDerWaalsContact O-CE1 3.27Å; Q687-L806 HydrophobicContact CB-CD2 4.21Å; Q687-Y885 PolarHBondContact NE2-OH 3.29Å; Q687-Y885 VanDerWaalsContact OE1-CE1 3.26Å; Q687-Y885 PolarHBondContact OE1-OH 3.43Å
688	L	95.8	Very high	93.5	Very high	9 Å²	9	37.8 Å²	37.8	5%	0.047	21%	0.206	C	C	.	.	S	Bend	trans	-106.1	142.7	179.7	-64	178.1	0	0	0	110.5	L683 E692 I693 L696 L806 L807 L810	L683-L688 HydrophobicContact CB-CD1 4.41Å; L683-L688 HydrophobicContact CD2-CD1 4.38Å; L683-L688 PolarHBondContact O-N 3Å; L688-E692 WeakPolarHBondContact CA-OE2 3.2Å; L688-E692 HydrophobicContact CB-CB 4.19Å; L688-E692 HydrophobicContact CD2-CB 4.48Å; L688-I693 HydrophobicContact CB-CD1 3.85Å; L688-I693 HydrophobicContact CB-CG1 4.1Å; L688-I693 HydrophobicContact CD1-CD1 3.89Å; L688-I693 HydrophobicContact CG-CD1 4.5Å; L688-L696 HydrophobicContact CD1-CD2 4.49Å; L688-L806 HydrophobicContact CD2-CD2 3.93Å; L688-L806 HydrophobicContact CD2-CG 4.35Å; L688-L806 HydrophobicContact CG-CD2 4.07Å; L688-L807 HydrophobicContact CD1-CD2 3.85Å; L688-L807 HydrophobicContact CD2-CD2 4.12Å; L688-L807 HydrophobicContact CD2-CG 4.14Å; L688-L810 HydrophobicContact CD1-CD1 3.89Å
689	D	94.8	Very high	93.6	Very high	99 Å²	99	37 Å²	37	53%	0.529	20%	0.202	S	C	.	.			trans	-68.2	153.9	173.6	-70.4	-28.5	0	0	0	110.6	I691 E692 I693	D689-I691 HydrophobicContact CB-CG2 4Å; D689-I691 PolarHBondContact O-N 3.05Å; D689-E692 HydrophobicContact CB-CG 4.2Å; D689-E692 PolarHBondContact N-OE2 2.96Å; D689-E692 WeakPolarHBondContact O-CB 3.16Å; D689-E692 PolarHBondContact O-N 3.05Å; D689-I693 PolarHBondContact O-N 2.92Å
690	D	95	Very high	93.8	Very high	68 Å²	68	33 Å²	33	36%	0.364	18%	0.184	S	C	.	.	H	α-helix	trans	-53.4	-32.4	179.1	-76.7	-48.7	0	0	0	111.6	R637 W638 L694	R637-D690 IonicContact CZ-OD1 3.57Å; R637-D690 IonicContact CZ-OD2 3.95Å; R637-D690 IonicContact NE-OD1 2.84Å; R637-D690 IonicContact NE-OD2 3.02Å; R637-D690 PolarHBondContact NE-OD2 3.18Å; R637-D690 IonicContact NH1-OD2 2.95Å; R637-D690 PolarHBondContact NH1-OD2 2.96Å; R637-D690 VanDerWaalsContact NH2-CG 3.31Å; R637-D690 IonicContact NH2-OD1 3.28Å; R637-D690 PolarHBondContact NH2-OD1 2.83Å; R637-D690 IonicContact NH2-OD2 3.89Å; R637-D690 PolarHBondContact NH2-OD2 3.34Å; W638-D690 HydrophobicContact CZ2-CB 3.88Å; W638-D690 WeakPolarHBondContact CZ2-O 3.36Å; D690-L694 PolarHBondContact O-N 3.41Å
691	I	96.3	Very high	93.9	Very high	13 Å²	13	30 Å²	30	7%	0.067	17%	0.168	C	C	.	.	H	α-helix	trans	-72	-37.7	-179.3	-162.3	171.9	0	0	0	111.6	W638 D689 L694 A695 D760 Q763 L764	W638-I691 HydrophobicContact CH2-CB 3.88Å; W638-I691 HydrophobicContact CH2-CG1 4.02Å; W638-I691 HydrophobicContact CZ2-CB 4.05Å; W638-I691 HydrophobicContact CZ2-CG1 4.45Å; D689-I691 HydrophobicContact CB-CG2 4Å; D689-I691 PolarHBondContact O-N 3.05Å; I691-L694 PolarHBondContact O-N 3.38Å; I691-A695 WeakPolarHBondContact O-CB 3.39Å; I691-A695 PolarHBondContact O-N 3.45Å; I691-D760 HydrophobicContact CD1-CB 3.83Å; I691-Q763 HydrophobicContact CD1-CB 3.86Å; I691-L764 HydrophobicContact CD1-CD2 4.43Å; I691-L764 HydrophobicContact CD1-CG 3.93Å; I691-L764 HydrophobicContact CG1-CD1 4.38Å; I691-L764 HydrophobicContact CG1-CD2 3.52Å; I691-L764 HydrophobicContact CG1-CG 3.56Å; I691-L764 WeakPolarHBondContact O-CD2 3.45Å
692	E	97.9	Very high	94.1	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.028	17%	0.166	C	C	.	.	H	α-helix	trans	-70.6	-37.3	177.1	-64.2	179.4	126.5	0	0	111	L688 D689 L694 A695 L696 H767 H803 L807	L688-E692 WeakPolarHBondContact CA-OE2 3.2Å; L688-E692 HydrophobicContact CB-CB 4.19Å; L688-E692 HydrophobicContact CD2-CB 4.48Å; D689-E692 HydrophobicContact CB-CG 4.2Å; D689-E692 PolarHBondContact N-OE2 2.96Å; D689-E692 WeakPolarHBondContact O-CB 3.16Å; D689-E692 PolarHBondContact O-N 3.05Å; E692-L694 VanDerWaalsContact C-N 3.34Å; E692-A695 PolarHBondContact O-N 3.04Å; E692-L696 VanDerWaalsContact O-CB 3.27Å; E692-L696 WeakPolarHBondContact O-CB 3.41Å; E692-L696 PolarHBondContact O-N 3.31Å; E692-H767 IonicContact OE1-CE1 3.9Å; E692-H803 WeakPolarHBondContact OE1-CB 3.36Å; E692-H803 IonicContact OE1-CG 2.65Å; E692-H803 IonicContact OE1-ND1 3.68Å; E692-H803 PolarHBondContact OE1-ND1 3.06Å; E692-H803 IonicContact OE2-CE1 3.44Å; E692-H803 PolarHBondContact OE2-CE1 2.8Å; E692-H803 IonicContact OE2-CG 2.99Å; E692-H803 IonicContact OE2-ND1 2.86Å; E692-H803 PolarHBondContact OE2-ND1 2.82Å; E692-L807 HydrophobicContact CB-CD1 4.34Å; E692-L807 HydrophobicContact CB-CD2 4.31Å; E692-L807 HydrophobicContact CG-CD1 4.33Å
693	I	97.9	Very high	94.3	Very high	9 Å²	9	27.2 Å²	27.2	5%	0.046	15%	0.151	C	C	.	.	H	α-helix	trans	-61.8	-43.2	173	-64.1	-66.8	0	0	0	110.9	L634 I678 L683 A684 L688 D689 F697	L634-I693 HydrophobicContact CD2-CG2 4.32Å; I678-I693 HydrophobicContact CD1-CG2 3.99Å; I678-I693 HydrophobicContact CG1-CD1 4.3Å; I678-I693 HydrophobicContact CG2-CG2 4.43Å; L683-I693 HydrophobicContact CB-CD1 4.06Å; A684-I693 HydrophobicContact CB-CD1 4.5Å; A684-I693 HydrophobicContact CB-CG1 4.49Å; L688-I693 HydrophobicContact CB-CD1 3.85Å; L688-I693 HydrophobicContact CB-CG1 4.1Å; L688-I693 HydrophobicContact CD1-CD1 3.89Å; L688-I693 HydrophobicContact CG-CD1 4.5Å; D689-I693 PolarHBondContact O-N 2.92Å; I693-F697 WeakPolarHBondContact O-CB 3.14Å; I693-F697 PolarHBondContact O-N 2.87Å; I693-F697 VanDerWaalsContact O-N 3.14Å
694	L	98	Very high	94.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.9	-46.5	174.9	178	62.3	0	0	0	111.1	L634 W638 I640 D690 I691 E692 F697 V698 F753 L764	L634-L694 HydrophobicContact CD1-CD1 4.29Å; L634-L694 HydrophobicContact CD2-CB 4.42Å; L634-L694 HydrophobicContact CD2-CD1 4.32Å; W638-L694 HydrophobicContact CB-CD2 4.27Å; W638-L694 HydrophobicContact CD2-CD2 3.69Å; W638-L694 HydrophobicContact CE3-CD2 4.3Å; W638-L694 HydrophobicContact CG-CD2 3.65Å; I640-L694 HydrophobicContact CD1-CD1 4.31Å; D690-L694 PolarHBondContact O-N 3.41Å; I691-L694 PolarHBondContact O-N 3.38Å; E692-L694 VanDerWaalsContact C-N 3.34Å; L694-F697 PolarHBondContact O-N 3.33Å; L694-V698 HydrophobicContact CD1-CG2 3.95Å; L694-V698 HydrophobicContact CG-CG2 4.48Å; L694-V698 WeakPolarHBondContact O-CB 3.39Å; L694-V698 WeakPolarHBondContact O-CG2 3.36Å; L694-V698 PolarHBondContact O-N 3.48Å; L694-F753 HydrophobicContact CD1-CE1 4.26Å; L694-F753 HydrophobicContact CD2-CD1 4Å; L694-F753 HydrophobicContact CD2-CE1 3.72Å; L694-F753 HydrophobicContact CG-CE1 3.93Å; L694-L764 HydrophobicContact CB-CD2 4.19Å; L694-L764 HydrophobicContact CD2-CD1 4.15Å; L694-L764 HydrophobicContact CD2-CD2 3.85Å; L694-L764 HydrophobicContact CG-CD2 4.02Å
695	A	98.5	Very high	95.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60	-48	179	0	0	0	0	0	112	I691 E692 F697 V698 A699 L764 H767 I768 I771	I691-A695 WeakPolarHBondContact O-CB 3.39Å; I691-A695 PolarHBondContact O-N 3.45Å; E692-A695 PolarHBondContact O-N 3.04Å; A695-F697 PolarHBondContact O-N 3.33Å; A695-V698 PolarHBondContact O-N 2.84Å; A695-A699 WeakPolarHBondContact O-CB 3.46Å; A695-A699 PolarHBondContact O-N 2.68Å; A695-L764 HydrophobicContact CB-CD2 4.17Å; A695-H767 HydrophobicContact CB-CB 3.46Å; A695-H767 VanDerWaalsContact CB-CB 3.46Å; A695-I768 HydrophobicContact CB-CG1 4.03Å; A695-I771 HydrophobicContact CB-CD1 3.97Å
696	L	98.7	Very high	96.1	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-58.3	-47.5	178.3	-178.7	63.1	0	0	0	111.6	V674 L688 E692 S700 I771 L807 L810 M811	V674-L696 HydrophobicContact CG1-CD2 3.9Å; V674-L696 HydrophobicContact CG1-CG 3.74Å; V674-L696 HydrophobicContact CG2-CG 4.44Å; L688-L696 HydrophobicContact CD1-CD2 4.49Å; E692-L696 VanDerWaalsContact O-CB 3.27Å; E692-L696 WeakPolarHBondContact O-CB 3.41Å; E692-L696 PolarHBondContact O-N 3.31Å; L696-S700 WeakPolarHBondContact O-CB 3.48Å; L696-S700 PolarHBondContact O-N 3.36Å; L696-I771 HydrophobicContact CB-CD1 4.18Å; L696-I771 HydrophobicContact CD1-CD1 4.44Å; L696-I771 HydrophobicContact CD1-CG2 4.07Å; L696-L807 HydrophobicContact CB-CD2 4.05Å; L696-L807 HydrophobicContact CD1-CD2 4.33Å; L696-L807 HydrophobicContact CD2-CD2 4.3Å; L696-L807 HydrophobicContact CG-CD2 4.44Å; L696-L810 HydrophobicContact CD1-CB 4.39Å; L696-L810 HydrophobicContact CD2-CB 4.15Å; L696-L810 HydrophobicContact CD2-CD1 3.83Å; L696-M811 HydrophobicContact CD1-CB 4.25Å; L696-M811 HydrophobicContact CD1-SD 4.47Å
697	F	98.6	Very high	97.1	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-67.8	-42.1	-179.2	-164.7	-109.8	0	0	0	112	M628 F629 L632 L634 A671 V674 I693 L694 A695 S700 L701	M628-F697 HydrophobicContact CB-CE1 4.28Å; M628-F697 HydrophobicContact CB-CE2 4.28Å; M628-F697 HydrophobicContact CB-CZ 3.52Å; M628-F697 HydrophobicContact CE-CZ 4.18Å; M628-F697 HydrophobicContact CG-CZ 4.39Å; M628-F697 HydrophobicContact SD-CE2 4.28Å; M628-F697 HydrophobicContact SD-CZ 4.12Å; F629-F697 HydrophobicContact CD1-CD1 4.42Å; F629-F697 HydrophobicContact CD1-CE1 4.39Å; F629-F697 HydrophobicContact CD2-CD1 4.4Å; F629-F697 AromaticContact CD2-CE1 3.69Å; F629-F697 HydrophobicContact CD2-CE1 3.69Å; F629-F697 HydrophobicContact CE1-CD1 4.08Å; F629-F697 HydrophobicContact CE1-CE1 4.32Å; F629-F697 HydrophobicContact CE2-CD1 4.06Å; F629-F697 AromaticContact CE2-CE1 3.61Å; F629-F697 HydrophobicContact CE2-CE1 3.61Å; F629-F697 HydrophobicContact CG-CE1 4.07Å; F629-F697 AromaticContact CZ-CD1 3.89Å; F629-F697 HydrophobicContact CZ-CD1 3.89Å; F629-F697 AromaticContact CZ-CE1 3.93Å; F629-F697 HydrophobicContact CZ-CE1 3.93Å; L632-F697 HydrophobicContact CD1-CD1 4.47Å; L632-F697 HydrophobicContact CD1-CD2 3.9Å; L632-F697 HydrophobicContact CD1-CE2 4.05Å; L632-F697 HydrophobicContact CD1-CG 4.14Å; L632-F697 HydrophobicContact CD1-CZ 4.4Å; L634-F697 HydrophobicContact CD1-CB 4.17Å; L634-F697 HydrophobicContact CD1-CD1 3.7Å; L634-F697 HydrophobicContact CD1-CE1 4.48Å; L634-F697 HydrophobicContact CD1-CG 4.12Å; A671-F697 HydrophobicContact CB-CE2 4.37Å; A671-F697 WeakPolarHBondContact O-CE2 3.37Å; V674-F697 HydrophobicContact CB-CD2 4.47Å; V674-F697 HydrophobicContact CG1-CD2 3.99Å; I693-F697 WeakPolarHBondContact O-CB 3.14Å; I693-F697 PolarHBondContact O-N 2.87Å; I693-F697 VanDerWaalsContact O-N 3.14Å; L694-F697 PolarHBondContact O-N 3.33Å; A695-F697 PolarHBondContact O-N 3.33Å; F697-S700 PolarHBondContact O-N 3.47Å; F697-S700 PolarHBondContact O-OG 3.45Å; F697-L701 HydrophobicContact CE1-CD1 4.42Å
698	V	98.6	Very high	97.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-68.5	-44	177.6	172.6	0	0	0	0	111.8	F629 F648 L694 A695 S700 L701 C702 I752 F753 I768	F629-V698 HydrophobicContact CE1-CG2 4.47Å; F629-V698 HydrophobicContact CZ-CG2 4.34Å; F648-V698 HydrophobicContact CZ-CG1 3.88Å; L694-V698 HydrophobicContact CD1-CG2 3.95Å; L694-V698 HydrophobicContact CG-CG2 4.48Å; L694-V698 WeakPolarHBondContact O-CB 3.39Å; L694-V698 WeakPolarHBondContact O-CG2 3.36Å; L694-V698 PolarHBondContact O-N 3.48Å; A695-V698 PolarHBondContact O-N 2.84Å; V698-S700 VanDerWaalsContact C-N 3.28Å; V698-S700 PolarHBondContact O-N 2.92Å; V698-L701 PolarHBondContact O-N 3.04Å; V698-C702 PolarHBondContact O-N 2.92Å; V698-I752 HydrophobicContact CG1-CD1 4.22Å; V698-I752 HydrophobicContact CG2-CD1 3.61Å; V698-F753 HydrophobicContact CB-CZ 4.23Å; V698-F753 HydrophobicContact CG1-CZ 3.94Å; V698-F753 HydrophobicContact CG2-CE1 4.16Å; V698-F753 HydrophobicContact CG2-CZ 4.02Å; V698-I768 HydrophobicContact CB-CD1 4.42Å; V698-I768 HydrophobicContact CG1-CD1 4.07Å
699	A	98.8	Very high	97.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.1	-40.5	176.4	0	0	0	0	0	111.4	A695 L701 C702 H703 I768 I771 I772	A695-A699 WeakPolarHBondContact O-CB 3.46Å; A695-A699 PolarHBondContact O-N 2.68Å; A699-L701 PolarHBondContact O-N 2.93Å; A699-C702 CarbonylContact O-C 3.51Å; A699-C702 PolarHBondContact O-N 3.29Å; A699-H703 WeakPolarHBondContact O-CB 3.33Å; A699-H703 PolarHBondContact O-N 3.02Å; A699-I768 HydrophobicContact CB-CG1 4.43Å; A699-I768 HydrophobicContact CB-CG2 4.2Å; A699-I771 HydrophobicContact CB-CB 3.83Å; A699-I771 HydrophobicContact CB-CD1 4.34Å; A699-I771 HydrophobicContact CB-CG2 3.44Å; A699-I771 VanDerWaalsContact CB-CG2 3.44Å; A699-I772 HydrophobicContact CB-CG1 4.03Å
700	S	98.7	Very high	97	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-58.8	-33.8	178.1	75.4	0	0	0	0	113.8	A671 L696 F697 V698 C702 H703	A671-S700 VanDerWaalsContact CA-OG 3.24Å; A671-S700 WeakPolarHBondContact CA-OG 3.31Å; A671-S700 VanDerWaalsContact CB-OG 3.3Å; A671-S700 WeakPolarHBondContact CB-OG 3.26Å; L696-S700 WeakPolarHBondContact O-CB 3.48Å; L696-S700 PolarHBondContact O-N 3.36Å; F697-S700 PolarHBondContact O-N 3.47Å; F697-S700 PolarHBondContact O-OG 3.45Å; V698-S700 VanDerWaalsContact C-N 3.28Å; V698-S700 PolarHBondContact O-N 2.92Å; S700-C702 VanDerWaalsContact C-N 3.34Å; S700-H703 PolarHBondContact O-ND1 3Å
701	L	98.6	Very high	96.9	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.01	6%	0.056	C	C	.	.	H	α-helix	trans	-74.8	-23.9	175.7	-70.3	167.3	0	0	0	112.8	T625 F629 F648 V652 Y656 W664 A671 F697 V698 A699	T625-L701 HydrophobicContact CG2-CD1 4Å; T625-L701 HydrophobicContact CG2-CD2 4.02Å; F629-L701 HydrophobicContact CE2-CD1 3.71Å; F629-L701 HydrophobicContact CZ-CD1 4.03Å; F648-L701 HydrophobicContact CE1-CD1 4.49Å; V652-L701 WeakPolarHBondContact CG1-O 3.44Å; Y656-L701 WeakPolarHBondContact CE2-O 3.27Å; Y656-L701 PolarHBondContact OH-O 3.5Å; W664-L701 HydrophobicContact CH2-CD2 4.08Å; W664-L701 HydrophobicContact CZ3-CD2 4.36Å; A671-L701 HydrophobicContact CB-CD2 3.48Å; A671-L701 VanDerWaalsContact CB-CD2 3.48Å; A671-L701 HydrophobicContact CB-CG 3.83Å; F697-L701 HydrophobicContact CE1-CD1 4.42Å; V698-L701 PolarHBondContact O-N 3.04Å; A699-L701 PolarHBondContact O-N 2.93Å
702	C	98.5	Very high	96.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-112	-8.4	-170.2	-60.6	0	0	0	0	114.6	Y656 V698 A699 S700 D704 I705 T741 I772	Y656-C702 VanDerWaalsContact OH-C 3.32Å; V698-C702 PolarHBondContact O-N 2.92Å; A699-C702 CarbonylContact O-C 3.51Å; A699-C702 PolarHBondContact O-N 3.29Å; S700-C702 VanDerWaalsContact C-N 3.34Å; C702-D704 PolarHBondContact O-N 3.37Å; C702-I705 WeakPolarHBondContact O-CB 3.46Å; C702-I705 WeakPolarHBondContact O-CG2 3.43Å; C702-I705 PolarHBondContact O-N 3.26Å; C702-T741 HydrophobicContact CB-CG2 3.95Å; C702-T741 VanDerWaalsContact CB-OG1 3.23Å; C702-T741 WeakPolarHBondContact CB-OG1 3.18Å; C702-I772 HydrophobicContact CB-CD1 4.45Å
703	H	98.3	Very high	96.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.8	-166.3	75.4	-80.2	0	0	0	115.3	H666 A699 S700 H737 I772 T775 M811 D815	H666-H703 AromaticContact CD2-CE1 3.93Å; H666-H703 AromaticContact CD2-NE2 3.65Å; H666-H703 AromaticContact NE2-CE1 3.81Å; H666-H703 AromaticContact NE2-NE2 3.27Å; H666-H703 PolarHBondContact NE2-NE2 3.12Å; A699-H703 WeakPolarHBondContact O-CB 3.33Å; A699-H703 PolarHBondContact O-N 3.02Å; S700-H703 PolarHBondContact O-ND1 3Å; H703-H737 WeakPolarHBondContact O-CB 3.37Å; H703-H737 PolarHBondContact O-CD2 2.98Å; H703-I772 HydrophobicContact CB-CG1 4.21Å; H703-T775 HydrophobicContact CB-CG2 4.01Å; H703-M811 HydrophobicContact CB-CE 3.76Å; H703-D815 IonicContact CD2-OD1 2.89Å; H703-D815 IonicContact NE2-OD1 3.19Å; H703-D815 PolarHBondContact NE2-OD1 3.2Å
704	D	98	Very high	95.8	Very high	9 Å²	9	15.8 Å²	15.8	5%	0.048	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	18.3	-179.2	-87.7	-6	0	0	0	112.9	Y656 H662 H666 C702 D706 H707 H737	Y656-D704 HydrophobicContact CE1-CB 3.61Å; Y656-D704 WeakPolarHBondContact CE1-O 3.39Å; Y656-D704 PolarHBondContact OH-N 2.92Å; H662-D704 IonicContact CD2-OD2 3.03Å; H662-D704 PolarHBondContact CD2-OD2 3.36Å; H662-D704 IonicContact CG-OD2 3.56Å; H666-D704 IonicContact CD2-OD2 3.34Å; H666-D704 PolarHBondContact CD2-OD2 3.22Å; H666-D704 IonicContact NE2-OD2 2.69Å; H666-D704 PolarHBondContact NE2-OD2 3.47Å; C702-D704 PolarHBondContact O-N 3.37Å; D704-D706 PolarHBondContact O-N 3.28Å; D704-H707 HydrophobicContact CB-CB 4.21Å; D704-H707 WeakPolarHBondContact O-CB 3.43Å; D704-H707 PolarHBondContact O-N 2.91Å; D704-H737 IonicContact OD1-NE2 3.44Å
705	I	96.3	Very high	95.3	Very high	3 Å²	3	16.2 Å²	16.2	2%	0.015	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	134.8	-177.5	-164.5	176.4	0	0	0	111.1	V652 Y656 C702 H707 H737 Q740 V744	V652-I705 HydrophobicContact CG1-CD1 4.4Å; Y656-I705 HydrophobicContact CD2-CB 4.44Å; Y656-I705 HydrophobicContact CD2-CG1 4.21Å; Y656-I705 HydrophobicContact CE2-CB 4Å; Y656-I705 HydrophobicContact CE2-CG1 4.19Å; Y656-I705 PolarHBondContact OH-N 3.3Å; C702-I705 WeakPolarHBondContact O-CB 3.46Å; C702-I705 WeakPolarHBondContact O-CG2 3.43Å; C702-I705 PolarHBondContact O-N 3.26Å; I705-H707 PolarHBondContact O-N 3.31Å; I705-H737 HydrophobicContact CG2-CB 4.31Å; I705-H737 WeakPolarHBondContact CG2-O 3.2Å; I705-H737 PolarHBondContact O-CE1 2.85Å; I705-H737 PolarHBondContact O-ND1 3.42Å; I705-Q740 HydrophobicContact CG2-CB 3.49Å; I705-Q740 VanDerWaalsContact CG2-CB 3.49Å; I705-Q740 HydrophobicContact CG2-CG 4.38Å; I705-V744 HydrophobicContact CD1-CG2 3.88Å
706	D	94.6	Very high	94.7	Very high	19 Å²	19	20.1 Å²	20.1	10%	0.102	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	19.7	-169.7	-163.7	51.8	0	0	0	115.2	G655 R657 D704 R708 H736 Q740	G655-D706 WeakPolarHBondContact O-CA 3.45Å; G655-D706 PolarHBondContact O-N 3.47Å; R657-D706 IonicContact CZ-OD1 2.99Å; R657-D706 IonicContact NE-OD1 3.98Å; R657-D706 PolarHBondContact NE-OD1 2.84Å; R657-D706 IonicContact NH2-OD1 2.66Å; R657-D706 PolarHBondContact NH2-OD1 2.82Å; R657-D706 IonicContact NH2-OD2 3.17Å; D704-D706 PolarHBondContact O-N 3.28Å; D706-R708 WeakPolarHBondContact O-CG 3.48Å; D706-R708 PolarHBondContact O-N 3.05Å; D706-R708 IonicContact OD1-NH2 3.3Å; D706-R708 IonicContact OD2-CZ 3.89Å; D706-R708 IonicContact OD2-NE 3.25Å; D706-R708 IonicContact OD2-NH2 2.65Å; D706-R708 PolarHBondContact OD2-NH2 2.98Å; D706-H736 IonicContact OD2-CD2 2.99Å; D706-H736 IonicContact OD2-CE1 3.92Å; D706-H736 PolarHBondContact OD2-CE1 2.91Å; D706-H736 IonicContact OD2-NE2 2.74Å; D706-H736 PolarHBondContact OD2-NE2 2.69Å; D706-Q740 HydrophobicContact CB-CG 4.07Å
707	H	95.4	Very high	94	Very high	13 Å²	13	24.3 Å²	24.3	6%	0.06	13%	0.126	C	C	.	.			trans	-59.6	133.4	172	-167.4	-85.3	0	0	0	111.7	R657 H662 D704 I705 G709 H737 E836	R657-H707 WeakPolarHBondContact CB-O 3.33Å; R657-H707 WeakPolarHBondContact CD-O 3.23Å; H662-H707 HydrophobicContact CB-CB 4.06Å; H662-H707 VanDerWaalsContact CB-ND1 3.33Å; H662-H707 WeakPolarHBondContact CB-ND1 3.41Å; H662-H707 AromaticContact CG-CE1 3.71Å; H662-H707 AromaticContact CG-ND1 3.73Å; H662-H707 AromaticContact ND1-CE1 3.43Å; H662-H707 PolarHBondContact ND1-CE1 3.48Å; H662-H707 AromaticContact ND1-ND1 3.81Å; D704-H707 HydrophobicContact CB-CB 4.21Å; D704-H707 WeakPolarHBondContact O-CB 3.43Å; D704-H707 PolarHBondContact O-N 2.91Å; I705-H707 PolarHBondContact O-N 3.31Å; H707-G709 PolarHBondContact ND1-N 2.65Å; H707-G709 VanDerWaalsContact ND1-N 3.17Å; H707-H737 AromaticContact CD2-NE2 3.68Å; H707-E836 IonicContact CE1-OE1 2.86Å; H707-E836 IonicContact ND1-OE1 2.97Å
708	R	93.3	Very high	93.2	Very high	111 Å²	111	26.5 Å²	26.5	42%	0.419	14%	0.141	S	C	.	.			trans	-101.8	3.8	-165.6	-58.7	-176	178.1	-123.3	-7.7	114.4	D706	D706-R708 WeakPolarHBondContact O-CG 3.48Å; D706-R708 PolarHBondContact O-N 3.05Å; D706-R708 IonicContact OD1-NH2 3.3Å; D706-R708 IonicContact OD2-CZ 3.89Å; D706-R708 IonicContact OD2-NE 3.25Å; D706-R708 IonicContact OD2-NH2 2.65Å; D706-R708 PolarHBondContact OD2-NH2 2.98Å
709	G	94	Very high	92.3	Very high	6 Å²	6	35.2 Å²	35.2	6%	0.062	18%	0.179	C	C	.	.	S	Bend	trans	76.3	24.9	-173	0	0	0	0	0	113.4	H707 E836	H707-G709 PolarHBondContact ND1-N 2.65Å; H707-G709 VanDerWaalsContact ND1-N 3.17Å; G709-E836 VanDerWaalsContact CA-OE1 3.29Å; G709-E836 WeakPolarHBondContact CA-OE1 3.3Å
710	T	93.7	Very high	91.3	Very high	7 Å²	7	36.4 Å²	36.4	4%	0.043	19%	0.187	C	C	.	.			trans	-143.3	146.6	-178.2	55.6	0	0	0	0	109.7	F714 Q715 L733 Q840 M843	T710-F714 HydrophobicContact CG2-CD1 3.7Å; T710-F714 HydrophobicContact CG2-CE1 3.92Å; T710-F714 HydrophobicContact CG2-CG 4.06Å; T710-F714 HydrophobicContact CG2-CZ 4.43Å; T710-Q715 PolarHBondContact OG1-NE2 2.86Å; T710-L733 WeakPolarHBondContact O-CD1 3.38Å; T710-Q840 HydrophobicContact CG2-CB 4.41Å; T710-Q840 HydrophobicContact CG2-CG 4.22Å; T710-M843 HydrophobicContact CG2-CE 3.42Å; T710-M843 VanDerWaalsContact CG2-CE 3.42Å
711	N	92.3	Very high	90.4	Very high	50 Å²	50	41.8 Å²	41.8	27%	0.267	22%	0.22	S	C	.	.			trans	-91.8	175.3	-177.3	72.1	9.4	0	0	0	114.3	S713 F714 Q715 Q840 M855	N711-S713 VanDerWaalsContact C-N 3.27Å; N711-S713 PolarHBondContact O-N 2.98Å; N711-S713 WeakPolarHBondContact OD1-CB 3.33Å; N711-S713 PolarHBondContact OD1-N 3.4Å; N711-F714 WeakPolarHBondContact O-CB 3.47Å; N711-F714 PolarHBondContact O-N 2.58Å; N711-F714 VanDerWaalsContact O-N 3.17Å; N711-F714 PolarHBondContact OD1-N 3.1Å; N711-Q715 WeakPolarHBondContact O-CG 3.38Å; N711-Q715 PolarHBondContact O-N 3.36Å; N711-Q840 PolarHBondContact OD1-NE2 3.08Å; N711-M855 WeakPolarHBondContact ND2-CE 3.33Å
712	N	90.1	Very high	89.4	Confident	30 Å²	30	42.5 Å²	42.5	16%	0.16	22%	0.224	C	C	.	.	H	α-helix	trans	-55.9	-36.2	179	-79.1	-34.8	0	0	0	113.5	Q715 V716 V732 L733 E734	N712-Q715 PolarHBondContact O-N 3.28Å; N712-V716 WeakPolarHBondContact O-CG2 3.43Å; N712-V716 PolarHBondContact O-N 2.91Å; N712-V716 VanDerWaalsContact O-N 3.14Å; N712-V732 WeakPolarHBondContact OD1-CB 3.47Å; N712-V732 PolarHBondContact OD1-N 3.02Å; N712-L733 WeakPolarHBondContact OD1-CB 3.44Å; N712-L733 WeakPolarHBondContact OD1-CG 3.3Å; N712-L733 PolarHBondContact OD1-N 3.15Å; N712-E734 PolarHBondContact ND2-OE1 3.14Å; N712-E734 PolarHBondContact ND2-OE2 3.31Å
713	S	88.4	Confident	88	Confident	57 Å²	57	42.8 Å²	42.8	40%	0.399	23%	0.226	S	C	.	.	H	α-helix	trans	-62.6	-46.2	177.4	-179.4	0	0	0	0	111.6	N711 Q715 V716 Q717	N711-S713 VanDerWaalsContact C-N 3.27Å; N711-S713 PolarHBondContact O-N 2.98Å; N711-S713 WeakPolarHBondContact OD1-CB 3.33Å; N711-S713 PolarHBondContact OD1-N 3.4Å; S713-Q715 VanDerWaalsContact C-N 3.34Å; S713-Q715 PolarHBondContact O-N 3.29Å; S713-V716 PolarHBondContact O-N 3.04Å; S713-Q717 WeakPolarHBondContact O-CB 3.26Å; S713-Q717 VanDerWaalsContact O-CG 3.29Å; S713-Q717 WeakPolarHBondContact O-CG 3.45Å; S713-Q717 PolarHBondContact O-N 2.92Å; S713-Q717 PolarHBondContact OG-NE2 3.35Å
714	F	89.7	Confident	86.7	Confident	24 Å²	24	46.8 Å²	46.8	11%	0.105	26%	0.259	C	S	.	.	H	α-helix	trans	-60.5	-43.6	176.2	-176.4	-90.6	0	0	0	112.1	T710 N711 V716 Q717 S718 Q840 M843 E844 L847	T710-F714 HydrophobicContact CG2-CD1 3.7Å; T710-F714 HydrophobicContact CG2-CE1 3.92Å; T710-F714 HydrophobicContact CG2-CG 4.06Å; T710-F714 HydrophobicContact CG2-CZ 4.43Å; N711-F714 WeakPolarHBondContact O-CB 3.47Å; N711-F714 PolarHBondContact O-N 2.58Å; N711-F714 VanDerWaalsContact O-N 3.17Å; N711-F714 PolarHBondContact OD1-N 3.1Å; F714-V716 VanDerWaalsContact C-N 3.33Å; F714-V716 PolarHBondContact O-N 3.08Å; F714-Q717 PolarHBondContact O-N 3.32Å; F714-S718 VanDerWaalsContact O-CB 3.28Å; F714-S718 WeakPolarHBondContact O-CB 3.38Å; F714-S718 PolarHBondContact O-N 2.89Å; F714-S718 PolarHBondContact O-OG 3.44Å; F714-Q840 HydrophobicContact CB-CG 4.35Å; F714-Q840 HydrophobicContact CD2-CG 3.9Å; F714-Q840 HydrophobicContact CG-CG 4.29Å; F714-M843 HydrophobicContact CE2-CB 3.93Å; F714-M843 HydrophobicContact CZ-CB 4.1Å; F714-E844 HydrophobicContact CD2-CG 3.49Å; F714-E844 VanDerWaalsContact CD2-CG 3.49Å; F714-E844 HydrophobicContact CE2-CG 3.77Å; F714-L847 HydrophobicContact CE2-CD1 4.08Å; F714-L847 HydrophobicContact CZ-CD1 4.04Å
715	Q	89.2	Confident	85.2	Confident	9 Å²	9	51.5 Å²	51.5	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-59.4	-44.3	180	-64.2	-59.7	-32	0	0	111.7	T710 N711 N712 S713 S718 K719 S720 A723 V732 L733	T710-Q715 PolarHBondContact OG1-NE2 2.86Å; N711-Q715 WeakPolarHBondContact O-CG 3.38Å; N711-Q715 PolarHBondContact O-N 3.36Å; N712-Q715 PolarHBondContact O-N 3.28Å; S713-Q715 VanDerWaalsContact C-N 3.34Å; S713-Q715 PolarHBondContact O-N 3.29Å; Q715-S718 PolarHBondContact O-OG 2.66Å; Q715-K719 PolarHBondContact O-N 3.05Å; Q715-S720 PolarHBondContact O-N 3.44Å; Q715-S720 VanDerWaalsContact O-N 3.14Å; Q715-S720 PolarHBondContact O-OG 2.82Å; Q715-S720 PolarHBondContact OE1-OG 3.32Å; Q715-A723 WeakPolarHBondContact O-CB 3.4Å; Q715-V732 HydrophobicContact CB-CG1 4.37Å; Q715-L733 HydrophobicContact CG-CD1 4.49Å; Q715-L733 HydrophobicContact CG-CD2 4.06Å; Q715-L733 HydrophobicContact CG-CG 4.22Å
716	V	85	Confident	84.2	Confident	81 Å²	81	53.7 Å²	53.7	49%	0.491	29%	0.292	S	S	.	.	H	α-helix	trans	-68.8	-45.9	178.5	175	0	0	0	0	111.5	N712 S713 F714 K719 A723	N712-V716 WeakPolarHBondContact O-CG2 3.43Å; N712-V716 PolarHBondContact O-N 2.91Å; N712-V716 VanDerWaalsContact O-N 3.14Å; S713-V716 PolarHBondContact O-N 3.04Å; F714-V716 VanDerWaalsContact C-N 3.33Å; F714-V716 PolarHBondContact O-N 3.08Å; V716-K719 PolarHBondContact O-N 3.15Å; V716-A723 HydrophobicContact CG2-CB 4.38Å
717	Q	83.9	Confident	83	Confident	90 Å²	90	56 Å²	56	42%	0.421	31%	0.31	S	S	.	.	H	α-helix	trans	-65.2	-41.2	-178.7	-70.9	179.1	21.6	0	0	112.5	S713 F714 K719	S713-Q717 WeakPolarHBondContact O-CB 3.26Å; S713-Q717 VanDerWaalsContact O-CG 3.29Å; S713-Q717 WeakPolarHBondContact O-CG 3.45Å; S713-Q717 PolarHBondContact O-N 2.92Å; S713-Q717 PolarHBondContact OG-NE2 3.35Å; F714-Q717 PolarHBondContact O-N 3.32Å; Q717-K719 PolarHBondContact O-N 3.48Å
718	S	80.7	Confident	81.7	Confident	45 Å²	45	60.8 Å²	60.8	32%	0.315	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-3.5	177.3	61.8	0	0	0	0	114.1	F714 Q715 S720	F714-S718 VanDerWaalsContact O-CB 3.28Å; F714-S718 WeakPolarHBondContact O-CB 3.38Å; F714-S718 PolarHBondContact O-N 2.89Å; F714-S718 PolarHBondContact O-OG 3.44Å; Q715-S718 PolarHBondContact O-OG 2.66Å; S718-S720 PolarHBondContact O-N 2.9Å
719	K	80.7	Confident	80.5	Confident	184 Å²	184	61.3 Å²	61.3	80%	0.8	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	43.4	-174.2	-59.9	179.9	-179.1	177	0	111.8	Q715 V716 Q717	Q715-K719 PolarHBondContact O-N 3.05Å; V716-K719 PolarHBondContact O-N 3.15Å; Q717-K719 PolarHBondContact O-N 3.48Å
720	S	78.6	Confident	79.9	Confident	24 Å²	24	62.5 Å²	62.5	17%	0.168	36%	0.364	C	S	.	.			trans	-64.8	161.1	-177.7	80.7	0	0	0	0	111.6	Q715 S718 L722 A723 A724	Q715-S720 PolarHBondContact O-N 3.44Å; Q715-S720 VanDerWaalsContact O-N 3.14Å; Q715-S720 PolarHBondContact O-OG 2.82Å; Q715-S720 PolarHBondContact OE1-OG 3.32Å; S718-S720 PolarHBondContact O-N 2.9Å; S720-L722 PolarHBondContact O-N 2.97Å; S720-L722 PolarHBondContact OG-N 3.49Å; S720-A723 PolarHBondContact O-N 3.04Å; S720-A723 VanDerWaalsContact O-N 3.09Å; S720-A723 PolarHBondContact OG-N 3.38Å; S720-A724 PolarHBondContact O-N 3.24Å
721	V	79.3	Confident	79.7	Confident	114 Å²	114	62.6 Å²	62.6	69%	0.691	37%	0.365	S	S	*	.	H	α-helix	trans	-57.2	-34.7	174.2	-174.7	0	0	0	0	111.1	A724 L725	V721-A724 PolarHBondContact O-N 3.47Å; V721-L725 HydrophobicContact CG1-CD1 4.07Å; V721-L725 HydrophobicContact CG1-CG 4.45Å; V721-L725 VanDerWaalsContact O-CG 3.3Å; V721-L725 WeakPolarHBondContact O-CG 3.36Å; V721-L725 PolarHBondContact O-N 3.35Å
722	L	77.6	Confident	79.6	Confident	17 Å²	17	60.4 Å²	60.4	9%	0.089	35%	0.353	C	S	.	.	H	α-helix	trans	-63.6	-44.3	176.1	-63.2	178.8	0	0	0	111.4	S720 A724 L725 Y726 V732 L733 H736	S720-L722 PolarHBondContact O-N 2.97Å; S720-L722 PolarHBondContact OG-N 3.49Å; L722-A724 VanDerWaalsContact C-N 3.34Å; L722-A724 PolarHBondContact O-N 2.92Å; L722-L725 PolarHBondContact O-N 3.3Å; L722-Y726 HydrophobicContact CD2-CE2 4.39Å; L722-Y726 WeakPolarHBondContact O-CD2 3.47Å; L722-Y726 PolarHBondContact O-N 2.91Å; L722-V732 HydrophobicContact CB-CG1 3.81Å; L722-V732 WeakPolarHBondContact O-CG1 3.44Å; L722-L733 HydrophobicContact CD1-CD2 4.16Å; L722-H736 HydrophobicContact CD2-CB 4.05Å; L722-H736 WeakPolarHBondContact CD2-ND1 2.97Å
723	A	68.7	Low	79.7	Confident	6 Å²	6	59.1 Å²	59.1	5%	0.05	35%	0.346	C	S	.	.	H	α-helix	trans	-64.2	-39.5	175.1	0	0	0	0	0	111.7	Q715 V716 S720 L725 S727	Q715-A723 WeakPolarHBondContact O-CB 3.4Å; V716-A723 HydrophobicContact CG2-CB 4.38Å; S720-A723 PolarHBondContact O-N 3.04Å; S720-A723 VanDerWaalsContact O-N 3.09Å; S720-A723 PolarHBondContact OG-N 3.38Å; A723-L725 VanDerWaalsContact C-N 3.25Å; A723-L725 PolarHBondContact O-N 3.44Å; A723-S727 WeakPolarHBondContact O-CA 3.24Å; A723-S727 WeakPolarHBondContact O-CB 3.43Å; A723-S727 PolarHBondContact O-N 2.95Å; A723-S727 PolarHBondContact O-OG 3.48Å
724	A	70.5	Confident	80.1	Confident	83 Å²	83	57.2 Å²	57.2	69%	0.686	33%	0.331	S	S	*	.	H	α-helix	trans	-62.8	-32.1	175.6	0	0	0	0	0	112.9	S720 V721 L722	S720-A724 PolarHBondContact O-N 3.24Å; V721-A724 PolarHBondContact O-N 3.47Å; L722-A724 VanDerWaalsContact C-N 3.34Å; L722-A724 PolarHBondContact O-N 2.92Å
725	L	67.3	Low	80.2	Confident	109 Å²	109	59 Å²	59	57%	0.571	34%	0.337	S	S	*	.	H	α-helix	trans	-82	-36.7	179.6	-70.9	170.6	0	0	0	113.6	V721 L722 A723	V721-L725 HydrophobicContact CG1-CD1 4.07Å; V721-L725 HydrophobicContact CG1-CG 4.45Å; V721-L725 VanDerWaalsContact O-CG 3.3Å; V721-L725 WeakPolarHBondContact O-CG 3.36Å; V721-L725 PolarHBondContact O-N 3.35Å; L722-L725 PolarHBondContact O-N 3.3Å; A723-L725 VanDerWaalsContact C-N 3.25Å; A723-L725 PolarHBondContact O-N 3.44Å
726	Y	74.3	Confident	80.4	Confident	49 Å²	49	59.1 Å²	59.1	19%	0.192	34%	0.338	C	S	.	.	H	α-helix	trans	-123.5	-4.4	-167.3	-56.9	-60.1	0	0	0	115.8	L722 S728 E729 V732 R735 H736 S739	L722-Y726 HydrophobicContact CD2-CE2 4.39Å; L722-Y726 WeakPolarHBondContact O-CD2 3.47Å; L722-Y726 PolarHBondContact O-N 2.91Å; Y726-S728 VanDerWaalsContact C-N 3.28Å; Y726-S728 PolarHBondContact O-N 2.67Å; Y726-E729 PolarHBondContact O-N 3.22Å; Y726-V732 HydrophobicContact CD2-CG1 4.48Å; Y726-R735 HydrophobicContact CD1-CB 3.93Å; Y726-R735 HydrophobicContact CD2-CB 4.47Å; Y726-R735 HydrophobicContact CE1-CB 4.27Å; Y726-R735 HydrophobicContact CG-CB 4.04Å; Y726-H736 HydrophobicContact CD2-CB 4.37Å; Y726-H736 HydrophobicContact CE2-CB 3.9Å; Y726-S739 WeakPolarHBondContact OH-CB 3.29Å
727	S	70.5	Confident	80.9	Confident	68 Å²	68	55.3 Å²	55.3	48%	0.476	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-59	-31.9	-172.6	51.6	0	0	0	0	115.1	A723 E729 G730	A723-S727 WeakPolarHBondContact O-CA 3.24Å; A723-S727 WeakPolarHBondContact O-CB 3.43Å; A723-S727 PolarHBondContact O-N 2.95Å; A723-S727 PolarHBondContact O-OG 3.48Å; S727-E729 PolarHBondContact O-N 2.88Å; S727-G730 PolarHBondContact O-N 2.91Å
728	S	68	Low	81.5	Confident	112 Å²	112	52.9 Å²	52.9	78%	0.783	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-64.2	-23.9	-178.4	52.1	0	0	0	0	113.7	Y726	Y726-S728 VanDerWaalsContact C-N 3.28Å; Y726-S728 PolarHBondContact O-N 2.67Å
729	E	68	Low	82.1	Confident	122 Å²	122	53 Å²	53	57%	0.57	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-109.4	-2.7	-175.1	-59.3	-176.3	173.3	0	0	113.7	Y726 S727 R735	Y726-E729 PolarHBondContact O-N 3.22Å; S727-E729 PolarHBondContact O-N 2.88Å; E729-R735 VanDerWaalsContact CB-CZ 3.41Å; E729-R735 PolarHBondContact O-NH2 3.43Å; E729-R735 VanDerWaalsContact O-NH2 3.1Å; E729-R735 IonicContact OE2-CZ 2.78Å; E729-R735 IonicContact OE2-NE 2.79Å; E729-R735 IonicContact OE2-NH1 3.59Å; E729-R735 PolarHBondContact OE2-NH1 3.17Å; E729-R735 IonicContact OE2-NH2 3.72Å
730	G	81.6	Confident	82.7	Confident	31 Å²	31	46.7 Å²	46.7	32%	0.32	28%	0.277	S	S	.	.	S	Bend	trans	68.1	177.9	-174	0	0	0	0	0	113.9	S727 V732 R735	S727-G730 PolarHBondContact O-N 2.91Å; G730-V732 PolarHBondContact O-N 3.33Å; G730-R735 WeakPolarHBondContact O-CD 3.39Å; G730-R735 PolarHBondContact O-NE 3.28Å
731	S	89.7	Confident	83.5	Confident	9 Å²	9	45.5 Å²	45.5	6%	0.063	27%	0.269	C	S	.	.			trans	51	55.3	179.8	-50.2	0	0	0	0	112.2	L733 E734 R735 D776	S731-L733 PolarHBondContact O-N 2.81Å; S731-E734 WeakPolarHBondContact CA-OE2 3.33Å; S731-E734 WeakPolarHBondContact CB-OE2 3.33Å; S731-E734 PolarHBondContact O-N 3.44Å; S731-R735 WeakPolarHBondContact O-CG 3.28Å; S731-R735 PolarHBondContact O-N 2.9Å; S731-D776 WeakPolarHBondContact CB-OD2 3.48Å; S731-D776 PolarHBondContact OG-OD2 2.66Å
732	V	89.3	Confident	84.2	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.024	25%	0.245	C	C	.	.	H	α-helix	trans	-60.4	-44.9	-168	168.6	0	0	0	0	111.6	N712 Q715 L722 Y726 G730 H736	N712-V732 WeakPolarHBondContact OD1-CB 3.47Å; N712-V732 PolarHBondContact OD1-N 3.02Å; Q715-V732 HydrophobicContact CB-CG1 4.37Å; L722-V732 HydrophobicContact CB-CG1 3.81Å; L722-V732 WeakPolarHBondContact O-CG1 3.44Å; Y726-V732 HydrophobicContact CD2-CG1 4.48Å; G730-V732 PolarHBondContact O-N 3.33Å; V732-H736 PolarHBondContact O-N 2.94Å
733	L	93.3	Very high	84.8	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-70.9	-43	179.8	-73.2	169.4	0	0	0	111.5	T710 N712 Q715 L722 S731 R735 H736 H737	T710-L733 WeakPolarHBondContact O-CD1 3.38Å; N712-L733 WeakPolarHBondContact OD1-CB 3.44Å; N712-L733 WeakPolarHBondContact OD1-CG 3.3Å; N712-L733 PolarHBondContact OD1-N 3.15Å; Q715-L733 HydrophobicContact CG-CD1 4.49Å; Q715-L733 HydrophobicContact CG-CD2 4.06Å; Q715-L733 HydrophobicContact CG-CG 4.22Å; L722-L733 HydrophobicContact CD1-CD2 4.16Å; S731-L733 PolarHBondContact O-N 2.81Å; L733-R735 VanDerWaalsContact C-N 3.33Å; L733-R735 PolarHBondContact O-N 3.33Å; L733-H736 CarbonylContact O-C 3.51Å; L733-H736 WeakPolarHBondContact O-CA 3.25Å; L733-H736 VanDerWaalsContact O-CB 3.27Å; L733-H736 WeakPolarHBondContact O-CB 3.45Å; L733-H736 PolarHBondContact O-N 3.44Å; L733-H737 VanDerWaalsContact C-CD2 3.46Å; L733-H737 PolarHBondContact O-CD2 2.92Å; L733-H737 PolarHBondContact O-N 2.78Å; L733-H737 PolarHBondContact O-NE2 3.3Å
734	E	96.1	Very high	85.9	Confident	17 Å²	17	43.7 Å²	43.7	8%	0.079	26%	0.258	C	S	.	.	H	α-helix	trans	-65.1	-38.9	-177.2	-60.5	73.9	-162.3	0	0	111.1	N712 S731 H736 H737 F738 I772 V773 D776	N712-E734 PolarHBondContact ND2-OE1 3.14Å; N712-E734 PolarHBondContact ND2-OE2 3.31Å; S731-E734 WeakPolarHBondContact CA-OE2 3.33Å; S731-E734 WeakPolarHBondContact CB-OE2 3.33Å; S731-E734 PolarHBondContact O-N 3.44Å; E734-H736 VanDerWaalsContact C-N 3.33Å; E734-H736 PolarHBondContact O-N 3.48Å; E734-H737 PolarHBondContact O-N 3.48Å; E734-F738 PolarHBondContact O-N 2.7Å; E734-I772 HydrophobicContact CB-CG2 4.27Å; E734-I772 VanDerWaalsContact O-CG2 3.27Å; E734-I772 WeakPolarHBondContact O-CG2 3.48Å; E734-V773 HydrophobicContact CB-CG2 4.44Å; E734-D776 HydrophobicContact CG-CB 3.95Å
735	R	92.1	Very high	87	Confident	61 Å²	61	39.8 Å²	39.8	23%	0.23	23%	0.225	C	C	.	.	H	α-helix	trans	-65	-36.6	171.1	-69.7	179.2	-168	-78.9	-11.2	112.4	Y726 E729 G730 S731 L733 S739	Y726-R735 HydrophobicContact CD1-CB 3.93Å; Y726-R735 HydrophobicContact CD2-CB 4.47Å; Y726-R735 HydrophobicContact CE1-CB 4.27Å; Y726-R735 HydrophobicContact CG-CB 4.04Å; E729-R735 VanDerWaalsContact CB-CZ 3.41Å; E729-R735 PolarHBondContact O-NH2 3.43Å; E729-R735 VanDerWaalsContact O-NH2 3.1Å; E729-R735 IonicContact OE2-CZ 2.78Å; E729-R735 IonicContact OE2-NE 2.79Å; E729-R735 IonicContact OE2-NH1 3.59Å; E729-R735 PolarHBondContact OE2-NH1 3.17Å; E729-R735 IonicContact OE2-NH2 3.72Å; G730-R735 WeakPolarHBondContact O-CD 3.39Å; G730-R735 PolarHBondContact O-NE 3.28Å; S731-R735 WeakPolarHBondContact O-CG 3.28Å; S731-R735 PolarHBondContact O-N 2.9Å; L733-R735 VanDerWaalsContact C-N 3.33Å; L733-R735 PolarHBondContact O-N 3.33Å; R735-S739 WeakPolarHBondContact O-CB 3.12Å; R735-S739 PolarHBondContact O-N 2.97Å
736	H	93.5	Very high	88	Confident	11 Å²	11	40 Å²	40	5%	0.051	23%	0.227	C	C	.	.	H	α-helix	trans	-64.9	-45.3	173.2	175.2	65.8	0	0	0	111.4	D706 L722 Y726 V732 L733 E734 F738 S739 Q740	D706-H736 IonicContact OD2-CD2 2.99Å; D706-H736 IonicContact OD2-CE1 3.92Å; D706-H736 PolarHBondContact OD2-CE1 2.91Å; D706-H736 IonicContact OD2-NE2 2.74Å; D706-H736 PolarHBondContact OD2-NE2 2.69Å; L722-H736 HydrophobicContact CD2-CB 4.05Å; L722-H736 WeakPolarHBondContact CD2-ND1 2.97Å; Y726-H736 HydrophobicContact CD2-CB 4.37Å; Y726-H736 HydrophobicContact CE2-CB 3.9Å; V732-H736 PolarHBondContact O-N 2.94Å; L733-H736 CarbonylContact O-C 3.51Å; L733-H736 WeakPolarHBondContact O-CA 3.25Å; L733-H736 VanDerWaalsContact O-CB 3.27Å; L733-H736 WeakPolarHBondContact O-CB 3.45Å; L733-H736 PolarHBondContact O-N 3.44Å; E734-H736 VanDerWaalsContact C-N 3.33Å; E734-H736 PolarHBondContact O-N 3.48Å; H736-F738 VanDerWaalsContact C-N 3.34Å; H736-F738 PolarHBondContact O-N 3.11Å; H736-S739 WeakPolarHBondContact O-CB 3.42Å; H736-S739 PolarHBondContact O-N 3.14Å; H736-S739 VanDerWaalsContact O-N 3.09Å; H736-Q740 PolarHBondContact CE1-NE2 3.41Å; H736-Q740 WeakPolarHBondContact O-CG 3.38Å; H736-Q740 PolarHBondContact O-N 3.39Å
737	H	95.9	Very high	88.7	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-59.8	-42.5	176.5	-58.2	-37.5	0	0	0	111.8	H703 D704 I705 H707 L733 E734 Q740 T741 I772	H703-H737 WeakPolarHBondContact O-CB 3.37Å; H703-H737 PolarHBondContact O-CD2 2.98Å; D704-H737 IonicContact OD1-NE2 3.44Å; I705-H737 HydrophobicContact CG2-CB 4.31Å; I705-H737 WeakPolarHBondContact CG2-O 3.2Å; I705-H737 PolarHBondContact O-CE1 2.85Å; I705-H737 PolarHBondContact O-ND1 3.42Å; H707-H737 AromaticContact CD2-NE2 3.68Å; L733-H737 VanDerWaalsContact C-CD2 3.46Å; L733-H737 PolarHBondContact O-CD2 2.92Å; L733-H737 PolarHBondContact O-N 2.78Å; L733-H737 PolarHBondContact O-NE2 3.3Å; E734-H737 PolarHBondContact O-N 3.48Å; H737-Q740 PolarHBondContact O-N 3.45Å; H737-T741 PolarHBondContact O-N 3.06Å; H737-T741 PolarHBondContact O-OG1 3.39Å; H737-I772 HydrophobicContact CB-CG2 3.9Å
738	F	96.1	Very high	89.4	Confident	39 Å²	39	44.2 Å²	44.2	17%	0.171	24%	0.243	C	C	.	.	H	α-helix	trans	-61.2	-47.1	171	177.1	-113.4	0	0	0	112	E734 H736 Q740 T741 I742 L765 I768 R769 I772	E734-F738 PolarHBondContact O-N 2.7Å; H736-F738 VanDerWaalsContact C-N 3.34Å; H736-F738 PolarHBondContact O-N 3.11Å; F738-Q740 VanDerWaalsContact C-N 3.3Å; F738-Q740 PolarHBondContact O-N 2.59Å; F738-T741 WeakPolarHBondContact O-CA 3.4Å; F738-T741 VanDerWaalsContact O-CB 3.25Å; F738-T741 WeakPolarHBondContact O-CB 3.23Å; F738-T741 PolarHBondContact O-N 2.92Å; F738-I742 HydrophobicContact CD1-CG1 4.49Å; F738-I742 HydrophobicContact CE1-CD1 4.42Å; F738-I742 HydrophobicContact CE1-CG1 4.05Å; F738-I742 HydrophobicContact CE2-CD1 3.87Å; F738-I742 HydrophobicContact CE2-CG1 4.07Å; F738-I742 HydrophobicContact CZ-CD1 3.72Å; F738-I742 HydrophobicContact CZ-CG1 3.83Å; F738-I742 WeakPolarHBondContact O-CG1 3.42Å; F738-I742 PolarHBondContact O-N 3.22Å; F738-L765 WeakPolarHBondContact CE2-O 3.47Å; F738-I768 HydrophobicContact CD2-CG2 4.04Å; F738-I768 HydrophobicContact CE2-CB 4.43Å; F738-I768 HydrophobicContact CE2-CG2 4.15Å; F738-R769 HydrophobicContact CD1-CB 4.13Å; F738-R769 HydrophobicContact CD1-CG 3.96Å; F738-R769 VanDerWaalsContact CD2-CA 3.5Å; F738-R769 HydrophobicContact CD2-CB 3.83Å; F738-R769 HydrophobicContact CD2-CG 4.45Å; F738-R769 HydrophobicContact CE1-CB 3.93Å; F738-R769 HydrophobicContact CE1-CG 4Å; F738-R769 HydrophobicContact CE2-CB 3.62Å; F738-R769 HydrophobicContact CE2-CG 4.49Å; F738-R769 HydrophobicContact CG-CB 4.08Å; F738-R769 HydrophobicContact CG-CG 4.18Å; F738-R769 HydrophobicContact CZ-CB 3.67Å; F738-R769 HydrophobicContact CZ-CG 4.27Å; F738-I772 HydrophobicContact CB-CD1 4.37Å; F738-I772 HydrophobicContact CB-CG2 4.5Å; F738-I772 HydrophobicContact CD2-CD1 4.46Å
739	S	92.6	Very high	90.5	Very high	47 Å²	47	40.3 Å²	40.3	33%	0.329	22%	0.22	S	C	.	.	H	α-helix	trans	-59.9	-38.8	177.5	-173.2	0	0	0	0	112.7	Y726 R735 H736 I742 C743	Y726-S739 WeakPolarHBondContact OH-CB 3.29Å; R735-S739 WeakPolarHBondContact O-CB 3.12Å; R735-S739 PolarHBondContact O-N 2.97Å; H736-S739 WeakPolarHBondContact O-CB 3.42Å; H736-S739 PolarHBondContact O-N 3.14Å; H736-S739 VanDerWaalsContact O-N 3.09Å; S739-I742 PolarHBondContact O-N 3.37Å; S739-C743 PolarHBondContact O-N 3.33Å
740	Q	93.6	Very high	91.7	Very high	52 Å²	52	34.5 Å²	34.5	24%	0.243	19%	0.193	C	C	.	.	H	α-helix	trans	-67.1	-37.8	174.1	-69.5	-49.1	-58.4	0	0	111.5	I705 D706 H736 H737 F738 I742 C743 V744	I705-Q740 HydrophobicContact CG2-CB 3.49Å; I705-Q740 VanDerWaalsContact CG2-CB 3.49Å; I705-Q740 HydrophobicContact CG2-CG 4.38Å; D706-Q740 HydrophobicContact CB-CG 4.07Å; H736-Q740 PolarHBondContact CE1-NE2 3.41Å; H736-Q740 WeakPolarHBondContact O-CG 3.38Å; H736-Q740 PolarHBondContact O-N 3.39Å; H737-Q740 PolarHBondContact O-N 3.45Å; F738-Q740 VanDerWaalsContact C-N 3.3Å; F738-Q740 PolarHBondContact O-N 2.59Å; Q740-I742 VanDerWaalsContact C-N 3.33Å; Q740-I742 PolarHBondContact O-N 3.44Å; Q740-C743 WeakPolarHBondContact O-CB 3.29Å; Q740-C743 PolarHBondContact O-N 3.08Å; Q740-C743 VanDerWaalsContact O-N 3.13Å; Q740-V744 WeakPolarHBondContact O-CG2 3.42Å; Q740-V744 PolarHBondContact O-N 2.87Å
741	T	95.4	Very high	92.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.7	-45.1	173	-55.1	0	0	0	0	111.3	C702 H737 F738 C743 V744 L745 I768	C702-T741 HydrophobicContact CB-CG2 3.95Å; C702-T741 VanDerWaalsContact CB-OG1 3.23Å; C702-T741 WeakPolarHBondContact CB-OG1 3.18Å; H737-T741 PolarHBondContact O-N 3.06Å; H737-T741 PolarHBondContact O-OG1 3.39Å; F738-T741 WeakPolarHBondContact O-CA 3.4Å; F738-T741 VanDerWaalsContact O-CB 3.25Å; F738-T741 WeakPolarHBondContact O-CB 3.23Å; F738-T741 PolarHBondContact O-N 2.92Å; T741-C743 VanDerWaalsContact C-N 3.32Å; T741-C743 PolarHBondContact O-N 3.4Å; T741-V744 PolarHBondContact O-N 2.69Å; T741-L745 HydrophobicContact CG2-CD1 4.22Å; T741-L745 WeakPolarHBondContact O-CG 3.14Å; T741-L745 PolarHBondContact O-N 3.03Å; T741-I768 HydrophobicContact CG2-CG2 4.22Å
742	I	93.4	Very high	92.8	Very high	38 Å²	38	34.5 Å²	34.5	20%	0.195	19%	0.185	C	C	.	.	H	α-helix	trans	-62	-39.6	174.5	-62	-58.8	0	0	0	111.6	F738 S739 Q740 L745 N746 L765	F738-I742 HydrophobicContact CD1-CG1 4.49Å; F738-I742 HydrophobicContact CE1-CD1 4.42Å; F738-I742 HydrophobicContact CE1-CG1 4.05Å; F738-I742 HydrophobicContact CE2-CD1 3.87Å; F738-I742 HydrophobicContact CE2-CG1 4.07Å; F738-I742 HydrophobicContact CZ-CD1 3.72Å; F738-I742 HydrophobicContact CZ-CG1 3.83Å; F738-I742 WeakPolarHBondContact O-CG1 3.42Å; F738-I742 PolarHBondContact O-N 3.22Å; S739-I742 PolarHBondContact O-N 3.37Å; Q740-I742 VanDerWaalsContact C-N 3.33Å; Q740-I742 PolarHBondContact O-N 3.44Å; I742-L745 PolarHBondContact O-N 3.15Å; I742-N746 WeakPolarHBondContact CG2-ND2 3.29Å; I742-N746 WeakPolarHBondContact O-CB 3.49Å; I742-N746 PolarHBondContact O-N 3.15Å; I742-N746 PolarHBondContact O-ND2 3.12Å; I742-L765 HydrophobicContact CD1-CD1 3.78Å; I742-L765 HydrophobicContact CD1-CD2 3.49Å; I742-L765 VanDerWaalsContact CD1-CD2 3.49Å; I742-L765 HydrophobicContact CD1-CG 4.14Å
743	C	90.3	Very high	93.1	Very high	55 Å²	55	34.4 Å²	34.4	37%	0.372	18%	0.184	S	C	.	.	H	α-helix	trans	-62.1	-43.9	175.6	-172.6	0	0	0	0	111.8	S739 Q740 T741 N746 T747	S739-C743 PolarHBondContact O-N 3.33Å; Q740-C743 WeakPolarHBondContact O-CB 3.29Å; Q740-C743 PolarHBondContact O-N 3.08Å; Q740-C743 VanDerWaalsContact O-N 3.13Å; T741-C743 VanDerWaalsContact C-N 3.32Å; T741-C743 PolarHBondContact O-N 3.4Å; C743-N746 PolarHBondContact O-N 3.45Å; C743-T747 PolarHBondContact O-N 3.45Å; C743-T747 PolarHBondContact O-OG1 3.21Å
744	V	92.4	Very high	93.2	Very high	6 Å²	6	38.5 Å²	38.5	4%	0.036	20%	0.203	C	C	.	.	H	α-helix	trans	-60.8	-48.6	174.5	173.3	0	0	0	0	110.7	F648 M651 V652 I705 Q740 T741 N746 T747 C750	F648-V744 HydrophobicContact CD2-CG1 3.97Å; F648-V744 HydrophobicContact CE2-CG1 4.12Å; M651-V744 HydrophobicContact CB-CG1 4.16Å; M651-V744 HydrophobicContact CG-CB 4.5Å; M651-V744 HydrophobicContact CG-CG1 3.87Å; M651-V744 HydrophobicContact CG-CG2 4.12Å; V652-V744 HydrophobicContact CG2-CG1 4.05Å; I705-V744 HydrophobicContact CD1-CG2 3.88Å; Q740-V744 WeakPolarHBondContact O-CG2 3.42Å; Q740-V744 PolarHBondContact O-N 2.87Å; T741-V744 PolarHBondContact O-N 2.69Å; V744-N746 VanDerWaalsContact C-N 3.31Å; V744-N746 PolarHBondContact O-N 2.86Å; V744-T747 VanDerWaalsContact O-CB 3.24Å; V744-T747 WeakPolarHBondContact O-CB 3.17Å; V744-T747 PolarHBondContact O-N 2.87Å; V744-T747 PolarHBondContact O-OG1 2.92Å; V744-C750 HydrophobicContact CG1-CB 4.38Å; V744-C750 WeakPolarHBondContact O-CB 3.46Å
745	L	93.9	Very high	93.2	Very high	1 Å²	1	42 Å²	42	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-63	-35	179.8	-70.1	169.9	0	0	0	112.9	F648 T741 I742 T747 N751 I752 F753 L765	F648-L745 HydrophobicContact CD2-CD2 4.3Å; F648-L745 HydrophobicContact CE2-CD2 4.03Å; T741-L745 HydrophobicContact CG2-CD1 4.22Å; T741-L745 WeakPolarHBondContact O-CG 3.14Å; T741-L745 PolarHBondContact O-N 3.03Å; I742-L745 PolarHBondContact O-N 3.15Å; L745-T747 PolarHBondContact O-N 3.25Å; L745-N751 VanDerWaalsContact O-CB 3.29Å; L745-N751 WeakPolarHBondContact O-CB 3.47Å; L745-I752 HydrophobicContact CD2-CG1 4.02Å; L745-F753 HydrophobicContact CD1-CD2 4.07Å; L745-F753 HydrophobicContact CD1-CE2 3.74Å; L745-F753 HydrophobicContact CD2-CD2 3.97Å; L745-F753 HydrophobicContact CD2-CE2 3.89Å; L745-L765 HydrophobicContact CD1-CD2 3.87Å
746	N	89.3	Confident	93.3	Very high	113 Å²	113	40.4 Å²	40.4	60%	0.604	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-4	176.2	-73.9	-30.8	0	0	0	113.8	I742 C743 V744	I742-N746 WeakPolarHBondContact CG2-ND2 3.29Å; I742-N746 WeakPolarHBondContact O-CB 3.49Å; I742-N746 PolarHBondContact O-N 3.15Å; I742-N746 PolarHBondContact O-ND2 3.12Å; C743-N746 PolarHBondContact O-N 3.45Å; V744-N746 VanDerWaalsContact C-N 3.31Å; V744-N746 PolarHBondContact O-N 2.86Å
747	T	87.7	Confident	93.4	Very high	25 Å²	25	42.5 Å²	42.5	15%	0.153	24%	0.235	C	C	.	.	S	Bend	trans	-75.7	134.7	174.5	-58.2	0	0	0	0	110.4	M577 M651 C743 V744 L745 G749 C750	M577-T747 HydrophobicContact CE-CG2 3.41Å; M577-T747 VanDerWaalsContact CE-CG2 3.41Å; M577-T747 WeakPolarHBondContact CE-OG1 3.45Å; M651-T747 HydrophobicContact CE-CG2 3.74Å; C743-T747 PolarHBondContact O-N 3.45Å; C743-T747 PolarHBondContact O-OG1 3.21Å; V744-T747 VanDerWaalsContact O-CB 3.24Å; V744-T747 WeakPolarHBondContact O-CB 3.17Å; V744-T747 PolarHBondContact O-N 2.87Å; V744-T747 PolarHBondContact O-OG1 2.92Å; L745-T747 PolarHBondContact O-N 3.25Å; T747-G749 PolarHBondContact O-N 2.95Å; T747-C750 WeakPolarHBondContact O-CB 3.4Å; T747-C750 PolarHBondContact O-N 3.39Å
748	E	85.5	Confident	93.3	Very high	181 Å²	181	52 Å²	52	85%	0.846	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	123.8	179.3	-171	-176.9	173.5	0	0	111.8	Q647 C750	Q647-E748 PolarHBondContact NE2-O 3.26Å; E748-C750 VanDerWaalsContact C-N 3.33Å; E748-C750 PolarHBondContact O-N 3.38Å
749	G	90.3	Very high	93.2	Very high	29 Å²	29	56.8 Å²	56.8	30%	0.299	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	5.7	-179.7	0	0	0	0	0	115.7	T644 Q647 T747	T644-G749 WeakPolarHBondContact CA-O 3.21Å; T644-G749 WeakPolarHBondContact CG2-O 3.36Å; Q647-G749 WeakPolarHBondContact CB-O 3.45Å; Q647-G749 PolarHBondContact OE1-O 3.16Å; T747-G749 PolarHBondContact O-N 2.95Å
750	C	93.7	Very high	93.3	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-10.6	177.6	-61	0	0	0	0	113.8	V744 T747 E748 I752	V744-C750 HydrophobicContact CG1-CB 4.38Å; V744-C750 WeakPolarHBondContact O-CB 3.46Å; T747-C750 WeakPolarHBondContact O-CB 3.4Å; T747-C750 PolarHBondContact O-N 3.39Å; E748-C750 VanDerWaalsContact C-N 3.33Å; E748-C750 PolarHBondContact O-N 3.38Å; C750-I752 PolarHBondContact O-N 3.09Å
751	N	96.1	Very high	93.5	Very high	37 Å²	37	57.1 Å²	57.1	20%	0.198	30%	0.295	C	S	.	.			trans	-72.4	86.7	-177.7	-171	1.4	0	0	0	111.9	T644 L745 F753 E754	T644-N751 VanDerWaalsContact CG2-C 3.47Å; T644-N751 WeakPolarHBondContact CG2-O 3.23Å; L745-N751 VanDerWaalsContact O-CB 3.29Å; L745-N751 WeakPolarHBondContact O-CB 3.47Å; N751-F753 PolarHBondContact O-N 2.88Å; N751-F753 WeakPolarHBondContact OD1-CA 3.43Å; N751-F753 WeakPolarHBondContact OD1-CB 3.35Å; N751-F753 PolarHBondContact OD1-N 3.13Å; N751-E754 HydrophobicContact CB-CB 4.33Å; N751-E754 VanDerWaalsContact O-CB 3.3Å; N751-E754 WeakPolarHBondContact O-CB 3.37Å; N751-E754 WeakPolarHBondContact O-CG 3.46Å; N751-E754 PolarHBondContact O-N 3.19Å; N751-E754 PolarHBondContact OD1-N 3.44Å
752	I	97.5	Very high	93.5	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.015	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-9.5	176.2	54.7	166.1	0	0	0	113.8	I640 T644 L645 F648 V698 L745 C750	I640-I752 HydrophobicContact CG2-CB 3.89Å; I640-I752 HydrophobicContact CG2-CG2 3.92Å; T644-I752 HydrophobicContact CG2-CG2 4.2Å; L645-I752 HydrophobicContact CD1-CG2 4.23Å; F648-I752 HydrophobicContact CB-CG2 3.52Å; F648-I752 HydrophobicContact CD1-CD1 4Å; F648-I752 HydrophobicContact CD1-CG2 4.08Å; F648-I752 HydrophobicContact CD2-CD1 4.3Å; F648-I752 HydrophobicContact CD2-CG1 4.24Å; F648-I752 HydrophobicContact CD2-CG2 4.25Å; F648-I752 HydrophobicContact CE1-CD1 3.85Å; F648-I752 HydrophobicContact CE2-CD1 4.16Å; F648-I752 HydrophobicContact CE2-CG1 4.39Å; F648-I752 HydrophobicContact CG-CD1 4.24Å; F648-I752 HydrophobicContact CG-CG1 4.35Å; F648-I752 HydrophobicContact CG-CG2 3.69Å; F648-I752 HydrophobicContact CZ-CD1 3.94Å; V698-I752 HydrophobicContact CG1-CD1 4.22Å; V698-I752 HydrophobicContact CG2-CD1 3.61Å; L745-I752 HydrophobicContact CD2-CG1 4.02Å; C750-I752 PolarHBondContact O-N 3.09Å
753	F	97.3	Very high	93.6	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.009	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	11.3	175.8	-48.1	-42.8	0	0	0	112.7	L694 V698 L745 N751 N755 V756 Y761 L764 I768	L694-F753 HydrophobicContact CD1-CE1 4.26Å; L694-F753 HydrophobicContact CD2-CD1 4Å; L694-F753 HydrophobicContact CD2-CE1 3.72Å; L694-F753 HydrophobicContact CG-CE1 3.93Å; V698-F753 HydrophobicContact CB-CZ 4.23Å; V698-F753 HydrophobicContact CG1-CZ 3.94Å; V698-F753 HydrophobicContact CG2-CE1 4.16Å; V698-F753 HydrophobicContact CG2-CZ 4.02Å; L745-F753 HydrophobicContact CD1-CD2 4.07Å; L745-F753 HydrophobicContact CD1-CE2 3.74Å; L745-F753 HydrophobicContact CD2-CD2 3.97Å; L745-F753 HydrophobicContact CD2-CE2 3.89Å; N751-F753 PolarHBondContact O-N 2.88Å; N751-F753 WeakPolarHBondContact OD1-CA 3.43Å; N751-F753 WeakPolarHBondContact OD1-CB 3.35Å; N751-F753 PolarHBondContact OD1-N 3.13Å; F753-N755 PolarHBondContact O-N 2.89Å; F753-V756 HydrophobicContact CB-CG1 4.27Å; F753-V756 HydrophobicContact CB-CG2 3.98Å; F753-V756 VanDerWaalsContact O-CG2 3.23Å; F753-V756 WeakPolarHBondContact O-CG2 3.38Å; F753-V756 PolarHBondContact O-N 3.06Å; F753-V756 VanDerWaalsContact O-N 3.07Å; F753-Y761 HydrophobicContact CB-CD2 3.71Å; F753-Y761 HydrophobicContact CB-CE2 3.85Å; F753-Y761 HydrophobicContact CD2-CD2 4.44Å; F753-Y761 HydrophobicContact CD2-CE2 4.15Å; F753-L764 HydrophobicContact CB-CD1 4.43Å; F753-L764 HydrophobicContact CD1-CD1 3.89Å; F753-L764 HydrophobicContact CD2-CD1 4.48Å; F753-L764 HydrophobicContact CE1-CD1 4.25Å; F753-L764 HydrophobicContact CG-CD1 4.02Å; F753-I768 HydrophobicContact CE2-CD1 3.65Å; F753-I768 HydrophobicContact CZ-CD1 3.68Å
754	E	94.4	Very high	94	Very high	90 Å²	90	57.6 Å²	57.6	42%	0.421	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-23.7	-176.8	64.3	-170.9	167.5	0	0	114.9	T644 N751	T644-E754 PolarHBondContact OG1-OE1 2.99Å; N751-E754 HydrophobicContact CB-CB 4.33Å; N751-E754 VanDerWaalsContact O-CB 3.3Å; N751-E754 WeakPolarHBondContact O-CB 3.37Å; N751-E754 WeakPolarHBondContact O-CG 3.46Å; N751-E754 PolarHBondContact O-N 3.19Å; N751-E754 PolarHBondContact OD1-N 3.44Å
755	N	95.5	Very high	94.2	Very high	92 Å²	92	58.8 Å²	58.8	49%	0.492	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	4.2	-177.7	-66.9	-42.3	0	0	0	114.2	R639 F753	R639-N755 HydrophobicContact CB-CB 4.22Å; R639-N755 PolarHBondContact O-ND2 3.47Å; F753-N755 PolarHBondContact O-N 2.89Å
756	V	95.3	Very high	94.4	Very high	26 Å²	26	62.3 Å²	62.3	16%	0.158	33%	0.325	C	S	.	.	S	Bend	trans	-89.5	160.5	178.4	-45.1	0	0	0	0	111	W638 F753 D760 Y761 L764	W638-V756 HydrophobicContact CE3-CG1 3.83Å; W638-V756 HydrophobicContact CZ3-CG1 4.29Å; F753-V756 HydrophobicContact CB-CG1 4.27Å; F753-V756 HydrophobicContact CB-CG2 3.98Å; F753-V756 VanDerWaalsContact O-CG2 3.23Å; F753-V756 WeakPolarHBondContact O-CG2 3.38Å; F753-V756 PolarHBondContact O-N 3.06Å; F753-V756 VanDerWaalsContact O-N 3.07Å; V756-D760 HydrophobicContact CB-CB 4.33Å; V756-D760 HydrophobicContact CG2-CB 4.36Å; V756-Y761 HydrophobicContact CG2-CD2 4.12Å; V756-Y761 HydrophobicContact CG2-CG 4.48Å; V756-L764 HydrophobicContact CG1-CD1 4.28Å; V756-L764 HydrophobicContact CG2-CD1 4.09Å
757	S	95.1	Very high	94.8	Very high	56 Å²	56	58.9 Å²	58.9	39%	0.392	31%	0.305	S	S	.	.			trans	-68.7	160.3	177.8	81.1	0	0	0	0	111.2	E759 D760 Y761	S757-E759 PolarHBondContact O-N 3.38Å; S757-D760 WeakPolarHBondContact CB-OD2 3.1Å; S757-D760 PolarHBondContact O-N 3.19Å; S757-D760 WeakPolarHBondContact OG-CB 3.4Å; S757-D760 PolarHBondContact OG-N 3.36Å; S757-D760 VanDerWaalsContact OG-N 3.13Å; S757-D760 PolarHBondContact OG-OD2 3.01Å; S757-Y761 WeakPolarHBondContact O-CB 3.24Å; S757-Y761 PolarHBondContact O-N 2.94Å
758	K	93.8	Very high	95.3	Very high	199 Å²	199	57.7 Å²	57.7	87%	0.865	30%	0.297	S	S	*	.	H	α-helix	trans	-61	-35	177.8	-175.5	-178.9	176.8	-175	0	112.5	G762	K758-G762 PolarHBondContact O-N 3.05Å
759	E	94.1	Very high	95.9	Very high	141 Å²	141	53.2 Å²	53.2	66%	0.659	27%	0.273	S	S	*	.	H	α-helix	trans	-68.9	-50.2	178.1	-175.3	172.7	-177.3	0	0	110.7	S757 Y761 G762 Q763	S757-E759 PolarHBondContact O-N 3.38Å; E759-Y761 VanDerWaalsContact C-N 3.27Å; E759-Y761 PolarHBondContact O-N 3.23Å; E759-G762 PolarHBondContact O-N 2.81Å; E759-G762 VanDerWaalsContact O-N 3.1Å; E759-Q763 PolarHBondContact O-N 3.14Å
760	D	95.7	Very high	96.2	Very high	52 Å²	52	54.1 Å²	54.1	28%	0.278	27%	0.271	S	S	.	.	H	α-helix	trans	-61.7	-36.3	176	-58	-38.1	0	0	0	111.7	I691 V756 S757 G762 Q763 L764	I691-D760 HydrophobicContact CD1-CB 3.83Å; V756-D760 HydrophobicContact CB-CB 4.33Å; V756-D760 HydrophobicContact CG2-CB 4.36Å; S757-D760 WeakPolarHBondContact CB-OD2 3.1Å; S757-D760 PolarHBondContact O-N 3.19Å; S757-D760 WeakPolarHBondContact OG-CB 3.4Å; S757-D760 PolarHBondContact OG-N 3.36Å; S757-D760 VanDerWaalsContact OG-N 3.13Å; S757-D760 PolarHBondContact OG-OD2 3.01Å; D760-G762 VanDerWaalsContact C-N 3.32Å; D760-G762 PolarHBondContact O-N 3.4Å; D760-Q763 PolarHBondContact O-N 3Å; D760-L764 WeakPolarHBondContact O-CB 3.18Å; D760-L764 WeakPolarHBondContact O-CG 3.29Å; D760-L764 PolarHBondContact O-N 3.12Å
761	Y	96.6	Very high	96.5	Very high	53 Å²	53	54.2 Å²	54.2	21%	0.208	27%	0.271	C	S	.	.	H	α-helix	trans	-60.8	-43.1	175.6	-172.9	-93	0	0	0	111.1	F753 V756 S757 E759 L765	F753-Y761 HydrophobicContact CB-CD2 3.71Å; F753-Y761 HydrophobicContact CB-CE2 3.85Å; F753-Y761 HydrophobicContact CD2-CD2 4.44Å; F753-Y761 HydrophobicContact CD2-CE2 4.15Å; V756-Y761 HydrophobicContact CG2-CD2 4.12Å; V756-Y761 HydrophobicContact CG2-CG 4.48Å; S757-Y761 WeakPolarHBondContact O-CB 3.24Å; S757-Y761 PolarHBondContact O-N 2.94Å; E759-Y761 VanDerWaalsContact C-N 3.27Å; E759-Y761 PolarHBondContact O-N 3.23Å; Y761-L765 HydrophobicContact CD1-CD1 4.02Å; Y761-L765 HydrophobicContact CD1-CG 4.34Å; Y761-L765 HydrophobicContact CE1-CD1 3.43Å; Y761-L765 VanDerWaalsContact CE1-CD1 3.43Å; Y761-L765 HydrophobicContact CE1-CG 4.05Å; Y761-L765 WeakPolarHBondContact O-CG 3.42Å; Y761-L765 PolarHBondContact O-N 2.96Å; Y761-L765 VanDerWaalsContact O-N 3.13Å
762	G	95.7	Very high	96.6	Very high	30 Å²	30	52.4 Å²	52.4	31%	0.309	26%	0.262	S	S	.	.	H	α-helix	trans	-61.3	-49.8	174.4	0	0	0	0	0	112.2	K758 E759 D760 L764 L765 D766	K758-G762 PolarHBondContact O-N 3.05Å; E759-G762 PolarHBondContact O-N 2.81Å; E759-G762 VanDerWaalsContact O-N 3.1Å; D760-G762 VanDerWaalsContact C-N 3.32Å; D760-G762 PolarHBondContact O-N 3.4Å; G762-L764 PolarHBondContact O-N 2.72Å; G762-L765 PolarHBondContact O-N 3.46Å; G762-D766 PolarHBondContact O-N 3.46Å
763	Q	96.6	Very high	96.5	Very high	74 Å²	74	53.1 Å²	53.1	35%	0.346	27%	0.266	S	S	.	.	H	α-helix	trans	-60.5	-43.2	178.5	-66.9	-178.2	18.2	0	0	112.3	I691 E759 D760 L765 D766 H767	I691-Q763 HydrophobicContact CD1-CB 3.86Å; E759-Q763 PolarHBondContact O-N 3.14Å; D760-Q763 PolarHBondContact O-N 3Å; Q763-L765 VanDerWaalsContact C-N 3.33Å; Q763-L765 PolarHBondContact O-N 3.06Å; Q763-D766 PolarHBondContact O-N 3.16Å; Q763-H767 PolarHBondContact O-CD2 2.94Å; Q763-H767 PolarHBondContact O-N 3.42Å
764	L	97.3	Very high	96.4	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-57.1	-45.7	174.8	-81.9	166.2	0	0	0	111.7	I691 L694 A695 F753 V756 D760 G762 H767 I768	I691-L764 HydrophobicContact CD1-CD2 4.43Å; I691-L764 HydrophobicContact CD1-CG 3.93Å; I691-L764 HydrophobicContact CG1-CD1 4.38Å; I691-L764 HydrophobicContact CG1-CD2 3.52Å; I691-L764 HydrophobicContact CG1-CG 3.56Å; I691-L764 WeakPolarHBondContact O-CD2 3.45Å; L694-L764 HydrophobicContact CB-CD2 4.19Å; L694-L764 HydrophobicContact CD2-CD1 4.15Å; L694-L764 HydrophobicContact CD2-CD2 3.85Å; L694-L764 HydrophobicContact CG-CD2 4.02Å; A695-L764 HydrophobicContact CB-CD2 4.17Å; F753-L764 HydrophobicContact CB-CD1 4.43Å; F753-L764 HydrophobicContact CD1-CD1 3.89Å; F753-L764 HydrophobicContact CD2-CD1 4.48Å; F753-L764 HydrophobicContact CE1-CD1 4.25Å; F753-L764 HydrophobicContact CG-CD1 4.02Å; V756-L764 HydrophobicContact CG1-CD1 4.28Å; V756-L764 HydrophobicContact CG2-CD1 4.09Å; D760-L764 WeakPolarHBondContact O-CB 3.18Å; D760-L764 WeakPolarHBondContact O-CG 3.29Å; D760-L764 PolarHBondContact O-N 3.12Å; G762-L764 PolarHBondContact O-N 2.72Å; L764-H767 PolarHBondContact O-N 3.37Å; L764-I768 WeakPolarHBondContact O-CB 3.46Å; L764-I768 WeakPolarHBondContact O-CD1 3.38Å; L764-I768 WeakPolarHBondContact O-CG1 3.3Å; L764-I768 PolarHBondContact O-N 2.97Å
765	L	97.4	Very high	96.6	Very high	31 Å²	31	49.1 Å²	49.1	16%	0.162	25%	0.248	C	C	.	.	H	α-helix	trans	-67	-37.8	179.1	-67.8	-169.5	0	0	0	112.3	F738 I742 L745 Y761 G762 Q763 I768 R769	F738-L765 WeakPolarHBondContact CE2-O 3.47Å; I742-L765 HydrophobicContact CD1-CD1 3.78Å; I742-L765 HydrophobicContact CD1-CD2 3.49Å; I742-L765 VanDerWaalsContact CD1-CD2 3.49Å; I742-L765 HydrophobicContact CD1-CG 4.14Å; L745-L765 HydrophobicContact CD1-CD2 3.87Å; Y761-L765 HydrophobicContact CD1-CD1 4.02Å; Y761-L765 HydrophobicContact CD1-CG 4.34Å; Y761-L765 HydrophobicContact CE1-CD1 3.43Å; Y761-L765 VanDerWaalsContact CE1-CD1 3.43Å; Y761-L765 HydrophobicContact CE1-CG 4.05Å; Y761-L765 WeakPolarHBondContact O-CG 3.42Å; Y761-L765 PolarHBondContact O-N 2.96Å; Y761-L765 VanDerWaalsContact O-N 3.13Å; G762-L765 PolarHBondContact O-N 3.46Å; Q763-L765 VanDerWaalsContact C-N 3.33Å; Q763-L765 PolarHBondContact O-N 3.06Å; L765-I768 PolarHBondContact O-N 3.14Å; L765-R769 WeakPolarHBondContact O-CB 3.15Å; L765-R769 PolarHBondContact O-N 3.44Å
766	D	97.4	Very high	96.6	Very high	75 Å²	75	45.4 Å²	45.4	40%	0.401	23%	0.228	S	C	.	.	H	α-helix	trans	-64.1	-46.6	175.1	-77.7	-35.9	0	0	0	111.4	G762 Q763 R769 D770	G762-D766 PolarHBondContact O-N 3.46Å; Q763-D766 PolarHBondContact O-N 3.16Å; D766-R769 WeakPolarHBondContact O-CB 3.49Å; D766-R769 PolarHBondContact O-N 3.04Å; D766-R769 IonicContact OD1-CZ 3.59Å; D766-R769 VanDerWaalsContact OD1-CZ 3.3Å; D766-R769 IonicContact OD1-NH1 3.49Å; D766-R769 PolarHBondContact OD1-NH1 3.22Å; D766-R769 IonicContact OD1-NH2 2.78Å; D766-R769 PolarHBondContact OD1-NH2 3.3Å; D766-D770 VanDerWaalsContact O-CG 3.24Å; D766-D770 PolarHBondContact O-N 3.19Å
767	H	98.3	Very high	96.6	Very high	41 Å²	41	46.9 Å²	46.9	19%	0.19	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-46.2	175.2	-71.9	-61.1	0	0	0	111.9	E692 A695 Q763 L764 R769 D770 I771	E692-H767 IonicContact OE1-CE1 3.9Å; A695-H767 HydrophobicContact CB-CB 3.46Å; A695-H767 VanDerWaalsContact CB-CB 3.46Å; Q763-H767 PolarHBondContact O-CD2 2.94Å; Q763-H767 PolarHBondContact O-N 3.42Å; L764-H767 PolarHBondContact O-N 3.37Å; H767-R769 VanDerWaalsContact C-N 3.3Å; H767-R769 PolarHBondContact O-N 2.89Å; H767-D770 PolarHBondContact O-N 3Å; H767-I771 HydrophobicContact CB-CD1 4.31Å; H767-I771 WeakPolarHBondContact O-CB 3.34Å; H767-I771 VanDerWaalsContact O-CD1 3.26Å; H767-I771 WeakPolarHBondContact O-CD1 3.46Å; H767-I771 WeakPolarHBondContact O-CG1 3.47Å; H767-I771 PolarHBondContact O-N 3.07Å
768	I	98.5	Very high	96.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.1	-42.2	178.5	-70.1	166.3	0	0	0	110.7	A695 V698 A699 F738 T741 F753 L764 L765 I772	A695-I768 HydrophobicContact CB-CG1 4.03Å; V698-I768 HydrophobicContact CB-CD1 4.42Å; V698-I768 HydrophobicContact CG1-CD1 4.07Å; A699-I768 HydrophobicContact CB-CG1 4.43Å; A699-I768 HydrophobicContact CB-CG2 4.2Å; F738-I768 HydrophobicContact CD2-CG2 4.04Å; F738-I768 HydrophobicContact CE2-CB 4.43Å; F738-I768 HydrophobicContact CE2-CG2 4.15Å; T741-I768 HydrophobicContact CG2-CG2 4.22Å; F753-I768 HydrophobicContact CE2-CD1 3.65Å; F753-I768 HydrophobicContact CZ-CD1 3.68Å; L764-I768 WeakPolarHBondContact O-CB 3.46Å; L764-I768 WeakPolarHBondContact O-CD1 3.38Å; L764-I768 WeakPolarHBondContact O-CG1 3.3Å; L764-I768 PolarHBondContact O-N 2.97Å; L765-I768 PolarHBondContact O-N 3.14Å; I768-I772 HydrophobicContact CG2-CD1 3.79Å; I768-I772 HydrophobicContact CG2-CG1 4.39Å; I768-I772 WeakPolarHBondContact O-CB 3.43Å; I768-I772 VanDerWaalsContact O-CG1 3.25Å; I768-I772 WeakPolarHBondContact O-CG1 3.47Å; I768-I772 PolarHBondContact O-N 2.98Å
769	R	97.5	Very high	96.6	Very high	86 Å²	86	38.8 Å²	38.8	33%	0.325	20%	0.201	S	C	.	.	H	α-helix	trans	-57	-52.3	174.8	-179.2	-169.1	65.7	-138.5	-10.9	110.8	F738 L765 D766 H767 I771 I772 V773	F738-R769 HydrophobicContact CD1-CB 4.13Å; F738-R769 HydrophobicContact CD1-CG 3.96Å; F738-R769 VanDerWaalsContact CD2-CA 3.5Å; F738-R769 HydrophobicContact CD2-CB 3.83Å; F738-R769 HydrophobicContact CD2-CG 4.45Å; F738-R769 HydrophobicContact CE1-CB 3.93Å; F738-R769 HydrophobicContact CE1-CG 4Å; F738-R769 HydrophobicContact CE2-CB 3.62Å; F738-R769 HydrophobicContact CE2-CG 4.49Å; F738-R769 HydrophobicContact CG-CB 4.08Å; F738-R769 HydrophobicContact CG-CG 4.18Å; F738-R769 HydrophobicContact CZ-CB 3.67Å; F738-R769 HydrophobicContact CZ-CG 4.27Å; L765-R769 WeakPolarHBondContact O-CB 3.15Å; L765-R769 PolarHBondContact O-N 3.44Å; D766-R769 WeakPolarHBondContact O-CB 3.49Å; D766-R769 PolarHBondContact O-N 3.04Å; D766-R769 IonicContact OD1-CZ 3.59Å; D766-R769 VanDerWaalsContact OD1-CZ 3.3Å; D766-R769 IonicContact OD1-NH1 3.49Å; D766-R769 PolarHBondContact OD1-NH1 3.22Å; D766-R769 IonicContact OD1-NH2 2.78Å; D766-R769 PolarHBondContact OD1-NH2 3.3Å; H767-R769 VanDerWaalsContact C-N 3.3Å; H767-R769 PolarHBondContact O-N 2.89Å; R769-I771 PolarHBondContact O-N 2.84Å; R769-I772 PolarHBondContact O-N 3.29Å; R769-V773 WeakPolarHBondContact O-CG2 3.17Å; R769-V773 PolarHBondContact O-N 3.22Å
770	D	97	Very high	96.7	Very high	49 Å²	49	32.2 Å²	32.2	26%	0.262	17%	0.171	S	C	.	.	H	α-helix	trans	-68.4	-37.8	-172.7	-67.2	-5.2	0	0	0	111.5	D766 H767 V773 A774 Y804	D766-D770 VanDerWaalsContact O-CG 3.24Å; D766-D770 PolarHBondContact O-N 3.19Å; H767-D770 PolarHBondContact O-N 3Å; D770-V773 PolarHBondContact O-N 2.86Å; D770-A774 PolarHBondContact O-N 3.49Å; D770-Y804 HydrophobicContact CB-CD2 4.35Å; D770-Y804 HydrophobicContact CB-CE2 4.09Å
771	I	98.6	Very high	96.7	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-64.9	-45.5	174.8	-68.3	157.9	0	0	0	111.3	A695 L696 A699 H767 R769 A774 L807 M811	A695-I771 HydrophobicContact CB-CD1 3.97Å; L696-I771 HydrophobicContact CB-CD1 4.18Å; L696-I771 HydrophobicContact CD1-CD1 4.44Å; L696-I771 HydrophobicContact CD1-CG2 4.07Å; A699-I771 HydrophobicContact CB-CB 3.83Å; A699-I771 HydrophobicContact CB-CD1 4.34Å; A699-I771 HydrophobicContact CB-CG2 3.44Å; A699-I771 VanDerWaalsContact CB-CG2 3.44Å; H767-I771 HydrophobicContact CB-CD1 4.31Å; H767-I771 WeakPolarHBondContact O-CB 3.34Å; H767-I771 VanDerWaalsContact O-CD1 3.26Å; H767-I771 WeakPolarHBondContact O-CD1 3.46Å; H767-I771 WeakPolarHBondContact O-CG1 3.47Å; H767-I771 PolarHBondContact O-N 3.07Å; R769-I771 PolarHBondContact O-N 2.84Å; I771-A774 WeakPolarHBondContact O-CB 3.47Å; I771-A774 PolarHBondContact O-N 3.4Å; I771-L807 HydrophobicContact CD1-CD1 4.36Å; I771-L807 HydrophobicContact CD1-CD2 4.21Å; I771-L807 HydrophobicContact CG1-CB 4.11Å; I771-L807 HydrophobicContact CG1-CD1 4.44Å; I771-M811 HydrophobicContact CG2-CB 3.77Å; I771-M811 HydrophobicContact CG2-CG 3.5Å; I771-M811 VanDerWaalsContact CG2-CG 3.5Å; I771-M811 HydrophobicContact CG2-SD 3.72Å
772	I	98.4	Very high	96.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.6	-41.3	177.6	-67.8	177.3	0	0	0	110.4	A699 C702 H703 E734 H737 F738 I768 R769 A774 T775	A699-I772 HydrophobicContact CB-CG1 4.03Å; C702-I772 HydrophobicContact CB-CD1 4.45Å; H703-I772 HydrophobicContact CB-CG1 4.21Å; E734-I772 HydrophobicContact CB-CG2 4.27Å; E734-I772 VanDerWaalsContact O-CG2 3.27Å; E734-I772 WeakPolarHBondContact O-CG2 3.48Å; H737-I772 HydrophobicContact CB-CG2 3.9Å; F738-I772 HydrophobicContact CB-CD1 4.37Å; F738-I772 HydrophobicContact CB-CG2 4.5Å; F738-I772 HydrophobicContact CD2-CD1 4.46Å; I768-I772 HydrophobicContact CG2-CD1 3.79Å; I768-I772 HydrophobicContact CG2-CG1 4.39Å; I768-I772 WeakPolarHBondContact O-CB 3.43Å; I768-I772 VanDerWaalsContact O-CG1 3.25Å; I768-I772 WeakPolarHBondContact O-CG1 3.47Å; I768-I772 PolarHBondContact O-N 2.98Å; R769-I772 PolarHBondContact O-N 3.29Å; I772-A774 PolarHBondContact O-N 2.94Å; I772-T775 PolarHBondContact O-N 3.24Å; I772-T775 PolarHBondContact O-OG1 3.49Å
773	V	95.5	Very high	96.7	Very high	18 Å²	18	39.1 Å²	39.1	11%	0.109	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-28.5	175.5	170.3	0	0	0	0	112.2	E734 R769 D770 T775 D776	E734-V773 HydrophobicContact CB-CG2 4.44Å; R769-V773 WeakPolarHBondContact O-CG2 3.17Å; R769-V773 PolarHBondContact O-N 3.22Å; D770-V773 PolarHBondContact O-N 2.86Å; V773-T775 PolarHBondContact O-N 3.28Å; V773-D776 PolarHBondContact O-N 2.99Å
774	A	96.3	Very high	96.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-11.7	178.5	0	0	0	0	0	114.7	D770 I771 I772 D776 C808 T812	D770-A774 PolarHBondContact O-N 3.49Å; I771-A774 WeakPolarHBondContact O-CB 3.47Å; I771-A774 PolarHBondContact O-N 3.4Å; I772-A774 PolarHBondContact O-N 2.94Å; A774-D776 VanDerWaalsContact C-N 3.29Å; A774-C808 HydrophobicContact CB-CB 3.8Å; A774-C808 VanDerWaalsContact CB-SG 3.58Å; A774-T812 PolarHBondContact O-OG1 3.36Å; A774-T812 VanDerWaalsContact O-OG1 3.13Å
775	T	97.2	Very high	96.8	Very high	8 Å²	8	40.3 Å²	40.3	5%	0.049	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-16.1	173.7	64.3	0	0	0	0	112.8	H703 I772 V773 L777 M811 D815	H703-T775 HydrophobicContact CB-CG2 4.01Å; I772-T775 PolarHBondContact O-N 3.24Å; I772-T775 PolarHBondContact O-OG1 3.49Å; V773-T775 PolarHBondContact O-N 3.28Å; T775-L777 PolarHBondContact O-N 3.03Å; T775-L777 VanDerWaalsContact O-N 3.09Å; T775-M811 HydrophobicContact CG2-CE 3.55Å; T775-M811 HydrophobicContact CG2-CG 3.71Å; T775-D815 HydrophobicContact CG2-CB 4.49Å
776	D	96.4	Very high	96.9	Very high	14 Å²	14	43.4 Å²	43.4	8%	0.075	22%	0.216	C	C	.	.			trans	-64.8	112.3	169.6	-175.7	-10.7	0	0	0	109.6	S731 E734 V773 A774 S778 H779 H780	S731-D776 WeakPolarHBondContact CB-OD2 3.48Å; S731-D776 PolarHBondContact OG-OD2 2.66Å; E734-D776 HydrophobicContact CG-CB 3.95Å; V773-D776 PolarHBondContact O-N 2.99Å; A774-D776 VanDerWaalsContact C-N 3.29Å; D776-S778 PolarHBondContact O-N 2.89Å; D776-S778 VanDerWaalsContact O-N 3.09Å; D776-S778 WeakPolarHBondContact OD1-CB 3.37Å; D776-S778 PolarHBondContact OD1-N 3.09Å; D776-S778 PolarHBondContact OD1-OG 3.31Å; D776-H779 HydrophobicContact CB-CB 4.01Å; D776-H779 WeakPolarHBondContact O-CA 3.42Å; D776-H779 WeakPolarHBondContact O-CB 3.24Å; D776-H779 PolarHBondContact O-N 3.44Å; D776-H780 PolarHBondContact O-N 2.99Å
777	L	94.9	Very high	96.9	Very high	56 Å²	56	39.8 Å²	39.8	29%	0.293	20%	0.197	S	C	.	.	H	α-helix	trans	-57	-28.5	178	-70.7	178.5	0	0	0	112.9	T775 H779 H780 L781 T812 L816 F869 I873	T775-L777 PolarHBondContact O-N 3.03Å; T775-L777 VanDerWaalsContact O-N 3.09Å; L777-H779 VanDerWaalsContact C-N 3.31Å; L777-H780 PolarHBondContact O-N 3.01Å; L777-L781 WeakPolarHBondContact O-CB 3.38Å; L777-L781 VanDerWaalsContact O-CG 3.27Å; L777-L781 WeakPolarHBondContact O-CG 3.49Å; L777-L781 PolarHBondContact O-N 3.17Å; L777-T812 HydrophobicContact CD2-CG2 4.37Å; L777-L816 HydrophobicContact CD2-CD1 3.93Å; L777-L816 HydrophobicContact CD2-CD2 4.5Å; L777-F869 HydrophobicContact CD1-CE2 4.33Å; L777-I873 HydrophobicContact CD2-CG2 4.22Å
778	S	94.1	Very high	96.9	Very high	69 Å²	69	41.9 Å²	41.9	48%	0.483	21%	0.207	S	C	.	.	H	α-helix	trans	-67.1	-35.8	174.6	-42.2	0	0	0	0	111.3	D776 R782	D776-S778 PolarHBondContact O-N 2.89Å; D776-S778 VanDerWaalsContact O-N 3.09Å; D776-S778 WeakPolarHBondContact OD1-CB 3.37Å; D776-S778 PolarHBondContact OD1-N 3.09Å; D776-S778 PolarHBondContact OD1-OG 3.31Å; S778-R782 WeakPolarHBondContact O-CG 3.04Å; S778-R782 PolarHBondContact O-N 2.88Å; S778-R782 PolarHBondContact O-NE 3.39Å
779	H	94.4	Very high	96.9	Very high	16 Å²	16	47.8 Å²	47.8	7%	0.074	23%	0.234	C	C	.	.	H	α-helix	trans	-66	-49.5	171.5	177.7	-88.9	0	0	0	110.7	D776 L777 L781 R782 I783 Y804	D776-H779 HydrophobicContact CB-CB 4.01Å; D776-H779 WeakPolarHBondContact O-CA 3.42Å; D776-H779 WeakPolarHBondContact O-CB 3.24Å; D776-H779 PolarHBondContact O-N 3.44Å; L777-H779 VanDerWaalsContact C-N 3.31Å; H779-L781 PolarHBondContact O-N 3.34Å; H779-R782 WeakPolarHBondContact O-CB 3.41Å; H779-R782 PolarHBondContact O-N 3.49Å; H779-R782 VanDerWaalsContact O-N 3.08Å; H779-I783 PolarHBondContact O-N 3.17Å; H779-I783 VanDerWaalsContact O-N 3.17Å; H779-Y804 PolarHBondContact CE1-OH 2.88Å; H779-Y804 PolarHBondContact NE2-OH 3.09Å
780	H	96.1	Very high	96.9	Very high	3 Å²	3	43.7 Å²	43.7	1%	0.014	22%	0.219	C	C	.	.	H	α-helix	trans	-53.6	-49.7	177.5	177	67.7	0	0	0	112.3	D776 L777 R782 I783 M784 T812	D776-H780 PolarHBondContact O-N 2.99Å; L777-H780 PolarHBondContact O-N 3.01Å; H780-R782 PolarHBondContact O-N 2.92Å; H780-I783 VanDerWaalsContact O-CG1 3.27Å; H780-I783 WeakPolarHBondContact O-CG1 3.01Å; H780-I783 PolarHBondContact O-N 2.84Å; H780-I783 VanDerWaalsContact O-N 3.07Å; H780-M784 VanDerWaalsContact CE1-SD 3.54Å; H780-M784 PolarHBondContact O-N 3.41Å; H780-T812 HydrophobicContact CB-CG2 4.16Å
781	L	96.6	Very high	96.8	Very high	97 Å²	97	41.9 Å²	41.9	51%	0.508	21%	0.21	S	C	.	.	H	α-helix	trans	-59.6	-33.1	179	-71.8	172.6	0	0	0	113.1	L777 H779 I873	L777-L781 WeakPolarHBondContact O-CB 3.38Å; L777-L781 VanDerWaalsContact O-CG 3.27Å; L777-L781 WeakPolarHBondContact O-CG 3.49Å; L777-L781 PolarHBondContact O-N 3.17Å; H779-L781 PolarHBondContact O-N 3.34Å; L781-I873 HydrophobicContact CD1-CD1 4.45Å; L781-I873 HydrophobicContact CD2-CD1 3.78Å; L781-I873 HydrophobicContact CG-CD1 4.44Å
782	R	96.4	Very high	96.7	Very high	167 Å²	167	49.1 Å²	49.1	63%	0.63	24%	0.243	S	C	*	.	H	α-helix	trans	-70.7	-35.8	175.8	-72.9	-177.6	-61.7	-155.1	-0.3	112.7	S778 H779 H780	S778-R782 WeakPolarHBondContact O-CG 3.04Å; S778-R782 PolarHBondContact O-N 2.88Å; S778-R782 PolarHBondContact O-NE 3.39Å; H779-R782 WeakPolarHBondContact O-CB 3.41Å; H779-R782 PolarHBondContact O-N 3.49Å; H779-R782 VanDerWaalsContact O-N 3.08Å; H780-R782 PolarHBondContact O-N 2.92Å
783	I	96.6	Very high	96.6	Very high	17 Å²	17	53.7 Å²	53.7	9%	0.087	26%	0.26	C	S	.	.	H	α-helix	trans	-90.7	-10.7	-178.7	65.7	165.1	0	0	0	113.2	H779 H780 P785 K786 L787 L805 C808	H779-I783 PolarHBondContact O-N 3.17Å; H779-I783 VanDerWaalsContact O-N 3.17Å; H780-I783 VanDerWaalsContact O-CG1 3.27Å; H780-I783 WeakPolarHBondContact O-CG1 3.01Å; H780-I783 PolarHBondContact O-N 2.84Å; H780-I783 VanDerWaalsContact O-N 3.07Å; I783-P785 VanDerWaalsContact C-CD 3.49Å; I783-K786 WeakPolarHBondContact O-CA 3.24Å; I783-K786 WeakPolarHBondContact O-CB 3.48Å; I783-K786 PolarHBondContact O-N 3.44Å; I783-L787 HydrophobicContact CD1-CD1 3.97Å; I783-L787 HydrophobicContact CD1-CG 4.29Å; I783-L787 HydrophobicContact CG1-CD1 4.02Å; I783-L787 HydrophobicContact CG1-CG 4.33Å; I783-L787 PolarHBondContact O-N 3.39Å; I783-L805 HydrophobicContact CB-CD2 4.32Å; I783-L805 HydrophobicContact CD1-CD2 4.43Å; I783-C808 HydrophobicContact CD1-CB 3.57Å
784	M	97.8	Very high	96.5	Very high	17 Å²	17	54.2 Å²	54.2	8%	0.084	27%	0.27	C	S	.	.	H	α-helix	trans	-52.5	-42.7	-176.2	-167.3	61.3	-172.8	0	0	114.3	H780 K786 L787 E788 P876 V880	H780-M784 VanDerWaalsContact CE1-SD 3.54Å; H780-M784 PolarHBondContact O-N 3.41Å; M784-K786 PolarHBondContact O-N 3.25Å; M784-L787 WeakPolarHBondContact O-CB 3.28Å; M784-L787 PolarHBondContact O-N 3Å; M784-L787 VanDerWaalsContact O-N 3.07Å; M784-L787 HydrophobicContact SD-CB 4.27Å; M784-L787 HydrophobicContact SD-CD1 4.12Å; M784-E788 HydrophobicContact CE-CG 4.08Å; M784-E788 WeakPolarHBondContact O-CG 3.2Å; M784-E788 PolarHBondContact O-N 2.87Å; M784-P876 HydrophobicContact CE-CB 3.8Å; M784-P876 WeakPolarHBondContact CE-O 3.25Å; M784-V880 HydrophobicContact CE-CB 4.27Å; M784-V880 HydrophobicContact CE-CG2 3.39Å
785	P	98.1	Very high	96.4	Very high	81 Å²	81	56.1 Å²	56.1	53%	0.526	28%	0.277	S	S	.	.	H	α-helix	trans	-59.5	-35	175.6	-25.1	35.7	0	0	0	113.5	I783 E789	I783-P785 VanDerWaalsContact C-CD 3.49Å; P785-E789 PolarHBondContact O-N 3.2Å
786	K	98.3	Very high	96.2	Very high	96 Å²	96	58.1 Å²	58.1	42%	0.417	29%	0.288	S	S	.	.	H	α-helix	trans	-72.9	-35.7	175.8	-60.9	-174.8	170.8	-163.2	0	111.9	I783 M784 E789 L790 E801 L805	I783-K786 WeakPolarHBondContact O-CA 3.24Å; I783-K786 WeakPolarHBondContact O-CB 3.48Å; I783-K786 PolarHBondContact O-N 3.44Å; M784-K786 PolarHBondContact O-N 3.25Å; K786-E789 PolarHBondContact O-N 3.12Å; K786-L790 WeakPolarHBondContact O-CB 3.41Å; K786-L790 PolarHBondContact O-N 2.96Å; K786-E801 IonicContact NZ-OE1 3.18Å; K786-E801 PolarHBondContact NZ-OE1 3.39Å; K786-L805 HydrophobicContact CB-CD1 3.92Å; K786-L805 HydrophobicContact CB-CD2 3.97Å; K786-L805 HydrophobicContact CD-CD2 4.36Å
787	L	98.2	Very high	96	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-65.3	-42.6	173.9	-67.1	178.9	0	0	0	111.2	I783 M784 L790 S791 L805 L809 V880	I783-L787 HydrophobicContact CD1-CD1 3.97Å; I783-L787 HydrophobicContact CD1-CG 4.29Å; I783-L787 HydrophobicContact CG1-CD1 4.02Å; I783-L787 HydrophobicContact CG1-CG 4.33Å; I783-L787 PolarHBondContact O-N 3.39Å; M784-L787 WeakPolarHBondContact O-CB 3.28Å; M784-L787 PolarHBondContact O-N 3Å; M784-L787 VanDerWaalsContact O-N 3.07Å; M784-L787 HydrophobicContact SD-CB 4.27Å; M784-L787 HydrophobicContact SD-CD1 4.12Å; L787-L790 WeakPolarHBondContact O-CB 3.43Å; L787-L790 PolarHBondContact O-N 3.04Å; L787-S791 PolarHBondContact O-N 3Å; L787-L805 HydrophobicContact CD2-CB 3.9Å; L787-L805 HydrophobicContact CD2-CD2 3.98Å; L787-L805 HydrophobicContact CD2-CG 4.47Å; L787-L805 VanDerWaalsContact CD2-O 3.32Å; L787-L805 WeakPolarHBondContact CD2-O 3.48Å; L787-L805 HydrophobicContact CG-CD2 4.46Å; L787-L809 HydrophobicContact CD1-CD1 4.37Å; L787-L809 HydrophobicContact CD2-CB 3.98Å; L787-V880 HydrophobicContact CB-CG1 4Å
788	E	98.1	Very high	95.8	Very high	85 Å²	85	62.6 Å²	62.6	40%	0.397	33%	0.326	S	S	.	.	H	α-helix	trans	-59.7	-49.4	172.5	-71.8	178.5	165.5	0	0	110.5	M784 L790 S791 H792 V880	M784-E788 HydrophobicContact CE-CG 4.08Å; M784-E788 WeakPolarHBondContact O-CG 3.2Å; M784-E788 PolarHBondContact O-N 2.87Å; E788-L790 PolarHBondContact O-N 3.25Å; E788-S791 PolarHBondContact O-N 3.42Å; E788-S791 VanDerWaalsContact O-N 3.14Å; E788-S791 PolarHBondContact O-OG 3.42Å; E788-H792 PolarHBondContact O-N 3.16Å; E788-H792 VanDerWaalsContact O-N 3.11Å; E788-H792 PolarHBondContact O-ND1 3.05Å; E788-V880 HydrophobicContact CG-CG2 3.84Å
789	E	97.7	Very high	95.8	Very high	124 Å²	124	63.9 Å²	63.9	58%	0.579	32%	0.323	S	S	*	.	H	α-helix	trans	-56.2	-48.8	175.7	-173.7	-175.4	166.7	0	0	112	P785 K786 S791 H792 R793	P785-E789 PolarHBondContact O-N 3.2Å; K786-E789 PolarHBondContact O-N 3.12Å; E789-S791 VanDerWaalsContact C-N 3.29Å; E789-S791 PolarHBondContact O-N 3.47Å; E789-H792 PolarHBondContact O-N 2.99Å; E789-R793 VanDerWaalsContact O-CG 3.28Å; E789-R793 WeakPolarHBondContact O-CG 3.45Å; E789-R793 PolarHBondContact O-N 3.4Å
790	L	97.3	Very high	95.8	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-53.8	-45.5	175.2	176.5	69	0	0	0	111.3	K786 L787 E788 H792 G794 Y795 D802 L805 L884	K786-L790 WeakPolarHBondContact O-CB 3.41Å; K786-L790 PolarHBondContact O-N 2.96Å; L787-L790 WeakPolarHBondContact O-CB 3.43Å; L787-L790 PolarHBondContact O-N 3.04Å; E788-L790 PolarHBondContact O-N 3.25Å; L790-H792 VanDerWaalsContact C-N 3.32Å; L790-H792 PolarHBondContact O-N 3.47Å; L790-G794 CarbonylContact O-C 3.53Å; L790-G794 WeakPolarHBondContact O-CA 3.42Å; L790-G794 PolarHBondContact O-N 3.21Å; L790-Y795 HydrophobicContact CD1-CD2 4.35Å; L790-D802 HydrophobicContact CD1-CB 4.22Å; L790-D802 VanDerWaalsContact CD1-OD2 3.3Å; L790-D802 WeakPolarHBondContact CD1-OD2 3.5Å; L790-L805 HydrophobicContact CD2-CB 3.86Å; L790-L884 HydrophobicContact CD2-CD1 4.3Å; L790-L884 HydrophobicContact CG-CD1 4.39Å
791	S	96.5	Very high	95.8	Very high	11 Å²	11	72.5 Å²	72.5	8%	0.077	38%	0.375	C	S	.	.	H	α-helix	trans	-66.2	-31.2	-179.1	76.6	0	0	0	0	114	L787 E788 E789	L787-S791 PolarHBondContact O-N 3Å; E788-S791 PolarHBondContact O-N 3.42Å; E788-S791 VanDerWaalsContact O-N 3.14Å; E788-S791 PolarHBondContact O-OG 3.42Å; E789-S791 VanDerWaalsContact C-N 3.29Å; E789-S791 PolarHBondContact O-N 3.47Å
792	H	96.1	Very high	95.8	Very high	152 Å²	152	67.9 Å²	67.9	70%	0.704	35%	0.351	S	S	*	.	H	α-helix	trans	-83	-40.2	178.7	-68.5	95.1	0	0	0	112.4	E788 E789 L790	E788-H792 PolarHBondContact O-N 3.16Å; E788-H792 VanDerWaalsContact O-N 3.11Å; E788-H792 PolarHBondContact O-ND1 3.05Å; E789-H792 PolarHBondContact O-N 2.99Å; L790-H792 VanDerWaalsContact C-N 3.32Å; L790-H792 PolarHBondContact O-N 3.47Å
793	R	95.2	Very high	95.8	Very high	96 Å²	96	61 Å²	61	36%	0.362	33%	0.325	S	S	.	.	H	α-helix	trans	-81.4	-21.3	-178.8	77.1	-173.4	166.5	70.9	-10.9	113.3	E789 D802	E789-R793 VanDerWaalsContact O-CG 3.28Å; E789-R793 WeakPolarHBondContact O-CG 3.45Å; E789-R793 PolarHBondContact O-N 3.4Å; R793-D802 IonicContact CZ-OD1 3.58Å; R793-D802 IonicContact CZ-OD2 2.81Å; R793-D802 IonicContact NH1-OD1 3.93Å; R793-D802 PolarHBondContact NH1-OD1 2.91Å; R793-D802 IonicContact NH1-OD2 3.9Å; R793-D802 PolarHBondContact NH1-OD2 3.29Å; R793-D802 IonicContact NH2-OD1 3.45Å; R793-D802 PolarHBondContact NH2-OD1 3.27Å; R793-D802 IonicContact NH2-OD2 3.92Å; R793-D802 PolarHBondContact NH2-OD2 2.93Å
794	G	93.5	Very high	95.9	Very high	30 Å²	30	63.6 Å²	63.6	31%	0.309	34%	0.335	S	S	.	.			trans	88	157.1	-172.3	0	0	0	0	0	113.2	L790	L790-G794 CarbonylContact O-C 3.53Å; L790-G794 WeakPolarHBondContact O-CA 3.42Å; L790-G794 PolarHBondContact O-N 3.21Å
795	Y	94.5	Very high	95.9	Very high	39 Å²	39	62.9 Å²	62.9	15%	0.153	33%	0.331	C	S	.	.			trans	-72.8	133.4	177.5	-179.3	-92.5	0	0	0	112.1	Q687 L790 G797 D802 H803 L806	Q687-Y795 HydrophobicContact CB-CD1 4.11Å; Q687-Y795 HydrophobicContact CB-CE1 3.69Å; Q687-Y795 HydrophobicContact CG-CD1 3.84Å; Q687-Y795 HydrophobicContact CG-CE1 3.93Å; Q687-Y795 PolarHBondContact O-OH 3.15Å; L790-Y795 HydrophobicContact CD1-CD2 4.35Å; Y795-G797 VanDerWaalsContact CE1-CA 3.49Å; Y795-D802 HydrophobicContact CD2-CB 3.92Å; Y795-D802 HydrophobicContact CE2-CB 3.71Å; Y795-D802 WeakPolarHBondContact CE2-O 3.35Å; Y795-H803 PolarHBondContact OH-CD2 2.88Å; Y795-H803 PolarHBondContact OH-CE1 2.88Å; Y795-H803 VanDerWaalsContact OH-CG 3.29Å; Y795-H803 PolarHBondContact OH-ND1 3.49Å; Y795-H803 PolarHBondContact OH-NE2 3.35Å; Y795-H803 VanDerWaalsContact OH-NE2 3.16Å; Y795-L806 HydrophobicContact CD2-CB 4.14Å; Y795-L806 HydrophobicContact CD2-CD2 3.75Å; Y795-L806 HydrophobicContact CD2-CG 4.49Å; Y795-L806 HydrophobicContact CE2-CB 3.78Å; Y795-L806 HydrophobicContact CE2-CD2 3.44Å; Y795-L806 VanDerWaalsContact CE2-CD2 3.44Å; Y795-L806 HydrophobicContact CE2-CG 4.24Å; Y795-L806 HydrophobicContact CG-CD2 4.49Å
796	D	93.6	Very high	95.9	Very high	51 Å²	51	59 Å²	59	27%	0.273	31%	0.306	S	S	.	.			trans	-124.9	99.8	175.8	177.7	1.1	0	0	0	110.2	T798 K799 D802	D796-T798 PolarHBondContact O-N 3.25Å; D796-T798 WeakPolarHBondContact OD1-CB 3.26Å; D796-T798 PolarHBondContact OD1-N 3.34Å; D796-T798 PolarHBondContact OD1-OG1 3.39Å; D796-T798 PolarHBondContact OD2-OG1 3.35Å; D796-K799 HydrophobicContact CB-CD 4.19Å; D796-K799 HydrophobicContact CB-CG 4.49Å; D796-K799 PolarHBondContact O-N 3.21Å; D796-K799 WeakPolarHBondContact OD2-CE 3.42Å; D796-K799 IonicContact OD2-NZ 3.31Å; D796-K799 PolarHBondContact OD2-NZ 3.4Å; D796-D802 PolarHBondContact N-OD2 3.26Å; D796-D802 WeakPolarHBondContact O-CB 3.16Å
797	G	91.1	Very high	95.9	Very high	39 Å²	39	54.8 Å²	54.8	40%	0.402	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-0.8	-178.7	0	0	0	0	0	115.1	Y795 K799 H803	Y795-G797 VanDerWaalsContact CE1-CA 3.49Å; G797-K799 VanDerWaalsContact C-N 3.29Å; G797-H803 WeakPolarHBondContact CA-NE2 3.43Å; G797-H803 PolarHBondContact O-NE2 2.99Å
798	T	91.9	Very high	95.9	Very high	125 Å²	125	54.9 Å²	54.9	77%	0.767	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-11.6	169.4	69	0	0	0	0	112.5	D796	D796-T798 PolarHBondContact O-N 3.25Å; D796-T798 WeakPolarHBondContact OD1-CB 3.26Å; D796-T798 PolarHBondContact OD1-N 3.34Å; D796-T798 PolarHBondContact OD1-OG1 3.39Å; D796-T798 PolarHBondContact OD2-OG1 3.35Å
799	K	94.2	Very high	95.9	Very high	96 Å²	96	50.8 Å²	50.8	42%	0.417	27%	0.27	S	S	.	.			trans	-103.7	116.3	-178.3	-66.7	175.8	-175.7	162.2	0	110.9	D796 G797 E801 D802 H803	D796-K799 HydrophobicContact CB-CD 4.19Å; D796-K799 HydrophobicContact CB-CG 4.49Å; D796-K799 PolarHBondContact O-N 3.21Å; D796-K799 WeakPolarHBondContact OD2-CE 3.42Å; D796-K799 IonicContact OD2-NZ 3.31Å; D796-K799 PolarHBondContact OD2-NZ 3.4Å; G797-K799 VanDerWaalsContact C-N 3.29Å; K799-E801 PolarHBondContact O-N 2.93Å; K799-E801 VanDerWaalsContact O-N 3.13Å; K799-D802 HydrophobicContact CB-CB 4.2Å; K799-D802 WeakPolarHBondContact O-CB 3.43Å; K799-D802 PolarHBondContact O-N 3.43Å; K799-H803 PolarHBondContact O-CD2 3.37Å; K799-H803 PolarHBondContact O-N 3.21Å
800	S	93.8	Very high	96	Very high	105 Å²	105	45 Å²	45	73%	0.734	24%	0.242	S	C	*	.	H	α-helix	trans	-56.3	-30.2	174.4	176.2	0	0	0	0	113.4	Y804	S800-Y804 PolarHBondContact O-N 3.19Å
801	E	96.4	Very high	96	Very high	95 Å²	95	45 Å²	45	44%	0.444	24%	0.242	S	C	.	.	H	α-helix	trans	-66.2	-35.2	175	-174.7	170.7	-156	0	0	112.6	K786 K799 Y804 L805	K786-E801 IonicContact NZ-OE1 3.18Å; K786-E801 PolarHBondContact NZ-OE1 3.39Å; K799-E801 PolarHBondContact O-N 2.93Å; K799-E801 VanDerWaalsContact O-N 3.13Å; E801-Y804 PolarHBondContact O-N 3.02Å; E801-L805 HydrophobicContact CG-CD1 3.94Å; E801-L805 HydrophobicContact CG-CG 4.21Å; E801-L805 WeakPolarHBondContact O-CB 3.46Å; E801-L805 VanDerWaalsContact O-CG 3.27Å; E801-L805 WeakPolarHBondContact O-CG 3.41Å; E801-L805 PolarHBondContact O-N 2.89Å
802	D	97	Very high	96.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-67.2	-42	179.2	-73.5	35	0	0	0	111.2	L790 R793 Y795 D796 K799 L805 L806	L790-D802 HydrophobicContact CD1-CB 4.22Å; L790-D802 VanDerWaalsContact CD1-OD2 3.3Å; L790-D802 WeakPolarHBondContact CD1-OD2 3.5Å; R793-D802 IonicContact CZ-OD1 3.58Å; R793-D802 IonicContact CZ-OD2 2.81Å; R793-D802 IonicContact NH1-OD1 3.93Å; R793-D802 PolarHBondContact NH1-OD1 2.91Å; R793-D802 IonicContact NH1-OD2 3.9Å; R793-D802 PolarHBondContact NH1-OD2 3.29Å; R793-D802 IonicContact NH2-OD1 3.45Å; R793-D802 PolarHBondContact NH2-OD1 3.27Å; R793-D802 IonicContact NH2-OD2 3.92Å; R793-D802 PolarHBondContact NH2-OD2 2.93Å; Y795-D802 HydrophobicContact CD2-CB 3.92Å; Y795-D802 HydrophobicContact CE2-CB 3.71Å; Y795-D802 WeakPolarHBondContact CE2-O 3.35Å; D796-D802 PolarHBondContact N-OD2 3.26Å; D796-D802 WeakPolarHBondContact O-CB 3.16Å; K799-D802 HydrophobicContact CB-CB 4.2Å; K799-D802 WeakPolarHBondContact O-CB 3.43Å; K799-D802 PolarHBondContact O-N 3.43Å; D802-L805 PolarHBondContact O-N 3.27Å; D802-L806 VanDerWaalsContact O-CB 3.24Å; D802-L806 WeakPolarHBondContact O-CB 3.44Å; D802-L806 PolarHBondContact O-N 3.28Å
803	H	96.6	Very high	96.2	Very high	21 Å²	21	37.2 Å²	37.2	10%	0.097	21%	0.205	C	C	.	.	H	α-helix	trans	-55.7	-52.5	173.5	-79.1	-108.2	0	0	0	110.8	Q687 E692 Y795 G797 K799 L805 L806 L807	Q687-H803 PolarHBondContact O-CE1 2.69Å; Q687-H803 VanDerWaalsContact O-CE1 3.27Å; E692-H803 WeakPolarHBondContact OE1-CB 3.36Å; E692-H803 IonicContact OE1-CG 2.65Å; E692-H803 IonicContact OE1-ND1 3.68Å; E692-H803 PolarHBondContact OE1-ND1 3.06Å; E692-H803 IonicContact OE2-CE1 3.44Å; E692-H803 PolarHBondContact OE2-CE1 2.8Å; E692-H803 IonicContact OE2-CG 2.99Å; E692-H803 IonicContact OE2-ND1 2.86Å; E692-H803 PolarHBondContact OE2-ND1 2.82Å; Y795-H803 PolarHBondContact OH-CD2 2.88Å; Y795-H803 PolarHBondContact OH-CE1 2.88Å; Y795-H803 VanDerWaalsContact OH-CG 3.29Å; Y795-H803 PolarHBondContact OH-ND1 3.49Å; Y795-H803 PolarHBondContact OH-NE2 3.35Å; Y795-H803 VanDerWaalsContact OH-NE2 3.16Å; G797-H803 WeakPolarHBondContact CA-NE2 3.43Å; G797-H803 PolarHBondContact O-NE2 2.99Å; K799-H803 PolarHBondContact O-CD2 3.37Å; K799-H803 PolarHBondContact O-N 3.21Å; H803-L805 PolarHBondContact O-N 3.39Å; H803-L806 PolarHBondContact O-N 3.43Å; H803-L807 WeakPolarHBondContact O-CB 3.45Å; H803-L807 VanDerWaalsContact O-CG 3.31Å; H803-L807 WeakPolarHBondContact O-CG 3.48Å; H803-L807 PolarHBondContact O-N 3.03Å
804	Y	97.9	Very high	96.4	Very high	73 Å²	73	32.7 Å²	32.7	29%	0.286	19%	0.188	S	C	.	.	H	α-helix	trans	-58.6	-48.5	177.5	168.4	-100.4	0	0	0	112.7	D770 H779 S800 E801 L806 L807 C808	D770-Y804 HydrophobicContact CB-CD2 4.35Å; D770-Y804 HydrophobicContact CB-CE2 4.09Å; H779-Y804 PolarHBondContact CE1-OH 2.88Å; H779-Y804 PolarHBondContact NE2-OH 3.09Å; S800-Y804 PolarHBondContact O-N 3.19Å; E801-Y804 PolarHBondContact O-N 3.02Å; Y804-L806 PolarHBondContact O-N 3.27Å; Y804-L807 PolarHBondContact O-N 3.17Å; Y804-C808 PolarHBondContact O-N 3.21Å; Y804-C808 PolarHBondContact O-SG 3.25Å
805	L	98.3	Very high	96.6	Very high	2 Å²	2	32 Å²	32	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-63.8	-40.1	179.6	-74.7	176.1	0	0	0	112	I783 K786 L787 L790 E801 D802 H803 C808 L809	I783-L805 HydrophobicContact CB-CD2 4.32Å; I783-L805 HydrophobicContact CD1-CD2 4.43Å; K786-L805 HydrophobicContact CB-CD1 3.92Å; K786-L805 HydrophobicContact CB-CD2 3.97Å; K786-L805 HydrophobicContact CD-CD2 4.36Å; L787-L805 HydrophobicContact CD2-CB 3.9Å; L787-L805 HydrophobicContact CD2-CD2 3.98Å; L787-L805 HydrophobicContact CD2-CG 4.47Å; L787-L805 VanDerWaalsContact CD2-O 3.32Å; L787-L805 WeakPolarHBondContact CD2-O 3.48Å; L787-L805 HydrophobicContact CG-CD2 4.46Å; L790-L805 HydrophobicContact CD2-CB 3.86Å; E801-L805 HydrophobicContact CG-CD1 3.94Å; E801-L805 HydrophobicContact CG-CG 4.21Å; E801-L805 WeakPolarHBondContact O-CB 3.46Å; E801-L805 VanDerWaalsContact O-CG 3.27Å; E801-L805 WeakPolarHBondContact O-CG 3.41Å; E801-L805 PolarHBondContact O-N 2.89Å; D802-L805 PolarHBondContact O-N 3.27Å; H803-L805 PolarHBondContact O-N 3.39Å; L805-C808 PolarHBondContact O-N 2.78Å; L805-L809 WeakPolarHBondContact O-CB 3.33Å; L805-L809 PolarHBondContact O-N 3.43Å
806	L	97.9	Very high	96.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.4	-43.6	177.2	178.8	57.7	0	0	0	111.4	L683 Q687 L688 Y795 D802 H803 Y804 C808 L809 L810 Y885	L683-L806 HydrophobicContact CD2-CD1 4.48Å; L683-L806 HydrophobicContact CD2-CD2 4.06Å; Q687-L806 HydrophobicContact CB-CD2 4.21Å; L688-L806 HydrophobicContact CD2-CD2 3.93Å; L688-L806 HydrophobicContact CD2-CG 4.35Å; L688-L806 HydrophobicContact CG-CD2 4.07Å; Y795-L806 HydrophobicContact CD2-CB 4.14Å; Y795-L806 HydrophobicContact CD2-CD2 3.75Å; Y795-L806 HydrophobicContact CD2-CG 4.49Å; Y795-L806 HydrophobicContact CE2-CB 3.78Å; Y795-L806 HydrophobicContact CE2-CD2 3.44Å; Y795-L806 VanDerWaalsContact CE2-CD2 3.44Å; Y795-L806 HydrophobicContact CE2-CG 4.24Å; Y795-L806 HydrophobicContact CG-CD2 4.49Å; D802-L806 VanDerWaalsContact O-CB 3.24Å; D802-L806 WeakPolarHBondContact O-CB 3.44Å; D802-L806 PolarHBondContact O-N 3.28Å; H803-L806 PolarHBondContact O-N 3.43Å; Y804-L806 PolarHBondContact O-N 3.27Å; L806-C808 VanDerWaalsContact C-N 3.34Å; L806-C808 PolarHBondContact O-N 3.28Å; L806-L809 PolarHBondContact O-N 2.98Å; L806-L810 HydrophobicContact CD1-CD1 4Å; L806-L810 HydrophobicContact CD1-CG 4Å; L806-L810 HydrophobicContact CG-CD1 3.95Å; L806-L810 HydrophobicContact CG-CG 4.41Å; L806-L810 WeakPolarHBondContact O-CB 3.46Å; L806-L810 VanDerWaalsContact O-CG 3.26Å; L806-L810 WeakPolarHBondContact O-CG 3.42Å; L806-L810 PolarHBondContact O-N 2.95Å; L806-Y885 HydrophobicContact CD1-CE2 4Å; L806-Y885 VanDerWaalsContact CD1-OH 3.31Å; L806-Y885 WeakPolarHBondContact CD1-OH 3.48Å
807	L	98.4	Very high	97	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-59	-45	174.2	-74.2	175.1	0	0	0	111.6	L688 E692 L696 I771 H803 Y804 L810 M811	L688-L807 HydrophobicContact CD1-CD2 3.85Å; L688-L807 HydrophobicContact CD2-CD2 4.12Å; L688-L807 HydrophobicContact CD2-CG 4.14Å; E692-L807 HydrophobicContact CB-CD1 4.34Å; E692-L807 HydrophobicContact CB-CD2 4.31Å; E692-L807 HydrophobicContact CG-CD1 4.33Å; L696-L807 HydrophobicContact CB-CD2 4.05Å; L696-L807 HydrophobicContact CD1-CD2 4.33Å; L696-L807 HydrophobicContact CD2-CD2 4.3Å; L696-L807 HydrophobicContact CG-CD2 4.44Å; I771-L807 HydrophobicContact CD1-CD1 4.36Å; I771-L807 HydrophobicContact CD1-CD2 4.21Å; I771-L807 HydrophobicContact CG1-CB 4.11Å; I771-L807 HydrophobicContact CG1-CD1 4.44Å; H803-L807 WeakPolarHBondContact O-CB 3.45Å; H803-L807 VanDerWaalsContact O-CG 3.31Å; H803-L807 WeakPolarHBondContact O-CG 3.48Å; H803-L807 PolarHBondContact O-N 3.03Å; Y804-L807 PolarHBondContact O-N 3.17Å; L807-L810 PolarHBondContact O-N 3.26Å; L807-M811 WeakPolarHBondContact O-CB 3.34Å; L807-M811 PolarHBondContact O-N 3.41Å
808	C	98.5	Very high	97.3	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.014	14%	0.144	C	C	.	.	H	α-helix	trans	-60.7	-48.1	175.2	-66.8	0	0	0	0	111.6	A774 I783 Y804 L805 L806 L810 M811 T812	A774-C808 HydrophobicContact CB-CB 3.8Å; A774-C808 VanDerWaalsContact CB-SG 3.58Å; I783-C808 HydrophobicContact CD1-CB 3.57Å; Y804-C808 PolarHBondContact O-N 3.21Å; Y804-C808 PolarHBondContact O-SG 3.25Å; L805-C808 PolarHBondContact O-N 2.78Å; L806-C808 VanDerWaalsContact C-N 3.34Å; L806-C808 PolarHBondContact O-N 3.28Å; C808-L810 PolarHBondContact O-N 3.2Å; C808-M811 PolarHBondContact O-N 3.42Å; C808-T812 PolarHBondContact O-N 2.98Å; C808-T812 PolarHBondContact O-OG1 3Å; C808-T812 VanDerWaalsContact O-OG1 3.05Å
809	L	98.5	Very high	97.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59	-47.1	179.8	176.6	62.4	0	0	0	112	L787 L805 L806 M811 S813 L877 V880 L881 L884	L787-L809 HydrophobicContact CD1-CD1 4.37Å; L787-L809 HydrophobicContact CD2-CB 3.98Å; L805-L809 WeakPolarHBondContact O-CB 3.33Å; L805-L809 PolarHBondContact O-N 3.43Å; L806-L809 PolarHBondContact O-N 2.98Å; L809-M811 VanDerWaalsContact C-N 3.34Å; L809-S813 WeakPolarHBondContact O-CB 3.31Å; L809-S813 PolarHBondContact O-N 3.03Å; L809-S813 PolarHBondContact O-OG 3.19Å; L809-L877 HydrophobicContact CD1-CD1 3.58Å; L809-V880 HydrophobicContact CD1-CB 4.45Å; L809-V880 HydrophobicContact CD1-CG1 3.83Å; L809-V880 HydrophobicContact CD2-CG1 3.81Å; L809-V880 HydrophobicContact CG-CG1 4.5Å; L809-L881 HydrophobicContact CD2-CD1 4.12Å; L809-L881 HydrophobicContact CG-CD1 4.18Å; L809-L884 HydrophobicContact CD2-CD1 3.68Å
810	L	98.5	Very high	97.6	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.01	9%	0.089	C	C	.	.	H	α-helix	trans	-63.5	-41.8	179.6	-71.5	168.7	0	0	0	111.2	C677 L681 L683 L688 L696 L806 L807 C808 S813 A814 L881	C677-L810 HydrophobicContact CB-CD2 4.21Å; L681-L810 HydrophobicContact CD1-CD2 4.33Å; L683-L810 HydrophobicContact CD1-CD1 3.68Å; L683-L810 HydrophobicContact CD1-CD2 3.99Å; L683-L810 HydrophobicContact CD2-CD1 3.84Å; L683-L810 HydrophobicContact CD2-CD2 4.46Å; L683-L810 HydrophobicContact CG-CD1 4.41Å; L688-L810 HydrophobicContact CD1-CD1 3.89Å; L696-L810 HydrophobicContact CD1-CB 4.39Å; L696-L810 HydrophobicContact CD2-CB 4.15Å; L696-L810 HydrophobicContact CD2-CD1 3.83Å; L806-L810 HydrophobicContact CD1-CD1 4Å; L806-L810 HydrophobicContact CD1-CG 4Å; L806-L810 HydrophobicContact CG-CD1 3.95Å; L806-L810 HydrophobicContact CG-CG 4.41Å; L806-L810 WeakPolarHBondContact O-CB 3.46Å; L806-L810 VanDerWaalsContact O-CG 3.26Å; L806-L810 WeakPolarHBondContact O-CG 3.42Å; L806-L810 PolarHBondContact O-N 2.95Å; L807-L810 PolarHBondContact O-N 3.26Å; C808-L810 PolarHBondContact O-N 3.2Å; L810-S813 PolarHBondContact O-N 3.42Å; L810-A814 WeakPolarHBondContact O-CB 3.34Å; L810-A814 PolarHBondContact O-N 3.13Å; L810-L881 HydrophobicContact CD2-CD1 4.23Å
811	M	98.6	Very high	97.7	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-69.2	-47.6	-179.9	-170.4	63	-148.1	0	0	112.2	V670 L696 H703 I771 T775 L807 C808 L809 S813 A814 D815	V670-M811 HydrophobicContact CG1-CE 3.5Å; V670-M811 VanDerWaalsContact CG1-CE 3.5Å; V670-M811 HydrophobicContact CG1-SD 4.45Å; L696-M811 HydrophobicContact CD1-CB 4.25Å; L696-M811 HydrophobicContact CD1-SD 4.47Å; H703-M811 HydrophobicContact CB-CE 3.76Å; I771-M811 HydrophobicContact CG2-CB 3.77Å; I771-M811 HydrophobicContact CG2-CG 3.5Å; I771-M811 VanDerWaalsContact CG2-CG 3.5Å; I771-M811 HydrophobicContact CG2-SD 3.72Å; T775-M811 HydrophobicContact CG2-CE 3.55Å; T775-M811 HydrophobicContact CG2-CG 3.71Å; L807-M811 WeakPolarHBondContact O-CB 3.34Å; L807-M811 PolarHBondContact O-N 3.41Å; C808-M811 PolarHBondContact O-N 3.42Å; L809-M811 VanDerWaalsContact C-N 3.34Å; M811-S813 VanDerWaalsContact C-N 3.27Å; M811-S813 PolarHBondContact O-N 2.91Å; M811-A814 PolarHBondContact O-N 3.44Å; M811-D815 WeakPolarHBondContact O-CB 3.43Å; M811-D815 PolarHBondContact O-N 3.06Å
812	T	98.3	Very high	97.7	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-61.9	-37.7	175.2	-47.3	0	0	0	0	111.1	A774 L777 H780 C808 A814 D815 L816 L877	A774-T812 PolarHBondContact O-OG1 3.36Å; A774-T812 VanDerWaalsContact O-OG1 3.13Å; L777-T812 HydrophobicContact CD2-CG2 4.37Å; H780-T812 HydrophobicContact CB-CG2 4.16Å; C808-T812 PolarHBondContact O-N 2.98Å; C808-T812 PolarHBondContact O-OG1 3Å; C808-T812 VanDerWaalsContact O-OG1 3.05Å; T812-A814 VanDerWaalsContact C-N 3.3Å; T812-A814 PolarHBondContact O-N 3.11Å; T812-D815 PolarHBondContact O-N 3.39Å; T812-L816 HydrophobicContact CG2-CD1 4.19Å; T812-L816 WeakPolarHBondContact O-CG 3.16Å; T812-L816 PolarHBondContact O-N 2.97Å; T812-L816 VanDerWaalsContact O-N 3.08Å; T812-L877 HydrophobicContact CG2-CD1 4.25Å; T812-L877 HydrophobicContact CG2-CD2 3.95Å
813	S	98.5	Very high	97.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-65.3	-33.1	174.1	-59.3	0	0	0	0	112.6	L809 L810 M811 S817 Y878	L809-S813 WeakPolarHBondContact O-CB 3.31Å; L809-S813 PolarHBondContact O-N 3.03Å; L809-S813 PolarHBondContact O-OG 3.19Å; L810-S813 PolarHBondContact O-N 3.42Å; M811-S813 VanDerWaalsContact C-N 3.27Å; M811-S813 PolarHBondContact O-N 2.91Å; S813-S817 PolarHBondContact O-N 3.36Å; S813-Y878 PolarHBondContact O-OH 3.01Å
814	A	98.6	Very high	97.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-74.5	-43.4	176.5	0	0	0	0	0	111.6	V670 F673 V674 L810 M811 T812 L816 S817	V670-A814 HydrophobicContact CG1-CB 3.68Å; F673-A814 HydrophobicContact CB-CB 4.17Å; F673-A814 VanDerWaalsContact CD1-CA 3.46Å; F673-A814 HydrophobicContact CD1-CB 3.81Å; F673-A814 HydrophobicContact CG-CB 4.4Å; V674-A814 HydrophobicContact CG2-CB 3.53Å; L810-A814 WeakPolarHBondContact O-CB 3.34Å; L810-A814 PolarHBondContact O-N 3.13Å; M811-A814 PolarHBondContact O-N 3.44Å; T812-A814 VanDerWaalsContact C-N 3.3Å; T812-A814 PolarHBondContact O-N 3.11Å; A814-L816 VanDerWaalsContact C-N 3.3Å; A814-L816 PolarHBondContact O-N 3.44Å; A814-S817 WeakPolarHBondContact O-CB 3.4Å; A814-S817 PolarHBondContact O-N 3.16Å; A814-S817 VanDerWaalsContact O-N 3.15Å; A814-S817 PolarHBondContact O-OG 3.38Å
815	D	98.5	Very high	97.3	Very high	16 Å²	16	12.2 Å²	12.2	9%	0.086	7%	0.068	C	C	.	.	H	α-helix	trans	-60.1	-40.5	179.1	-172.9	40.9	0	0	0	111.7	H666 H703 T775 M811 T812 S817	H666-D815 PolarHBondContact CE1-O 3.19Å; H666-D815 IonicContact CE1-OD1 3.44Å; H666-D815 PolarHBondContact CE1-OD1 2.85Å; H666-D815 VanDerWaalsContact CE1-OD1 3.28Å; H666-D815 IonicContact NE2-OD1 3.48Å; H666-D815 PolarHBondContact NE2-OD1 3.22Å; H703-D815 IonicContact CD2-OD1 2.89Å; H703-D815 IonicContact NE2-OD1 3.19Å; H703-D815 PolarHBondContact NE2-OD1 3.2Å; T775-D815 HydrophobicContact CG2-CB 4.49Å; M811-D815 WeakPolarHBondContact O-CB 3.43Å; M811-D815 PolarHBondContact O-N 3.06Å; T812-D815 PolarHBondContact O-N 3.39Å; D815-S817 VanDerWaalsContact C-N 3.34Å; D815-S817 PolarHBondContact O-N 2.85Å
816	L	98.1	Very high	97.2	Very high	16 Å²	16	12.1 Å²	12.1	8%	0.084	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	10.3	178.8	-55.1	-175.9	0	0	0	114.4	L777 T812 A814 D818 Q819 F869 I873 I874 L877	L777-L816 HydrophobicContact CD2-CD1 3.93Å; L777-L816 HydrophobicContact CD2-CD2 4.5Å; T812-L816 HydrophobicContact CG2-CD1 4.19Å; T812-L816 WeakPolarHBondContact O-CG 3.16Å; T812-L816 PolarHBondContact O-N 2.97Å; T812-L816 VanDerWaalsContact O-N 3.08Å; A814-L816 VanDerWaalsContact C-N 3.3Å; A814-L816 PolarHBondContact O-N 3.44Å; L816-D818 VanDerWaalsContact C-N 3.26Å; L816-D818 PolarHBondContact O-N 2.92Å; L816-D818 VanDerWaalsContact O-N 3.15Å; L816-Q819 WeakPolarHBondContact O-CB 3.39Å; L816-Q819 PolarHBondContact O-N 2.94Å; L816-Q819 VanDerWaalsContact O-N 3.12Å; L816-F869 HydrophobicContact CD1-CZ 4.32Å; L816-F869 HydrophobicContact CD2-CZ 4.07Å; L816-I873 HydrophobicContact CD1-CG2 3.83Å; L816-I874 HydrophobicContact CB-CD1 3.7Å; L816-I874 HydrophobicContact CD1-CD1 3.57Å; L816-I874 HydrophobicContact CG-CD1 4.16Å; L816-L877 HydrophobicContact CB-CD2 4.37Å; L816-L877 HydrophobicContact CD1-CD2 3.78Å; L816-L877 HydrophobicContact CG-CD2 4.46Å
817	S	97.9	Very high	97.1	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.014	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-65.1	-19.5	-170.5	64.2	0	0	0	0	115.9	F673 S813 A814 D815 Q819 T820 Y878	F673-S817 VanDerWaalsContact CG-CB 3.4Å; S813-S817 PolarHBondContact O-N 3.36Å; A814-S817 WeakPolarHBondContact O-CB 3.4Å; A814-S817 PolarHBondContact O-N 3.16Å; A814-S817 VanDerWaalsContact O-N 3.15Å; A814-S817 PolarHBondContact O-OG 3.38Å; D815-S817 VanDerWaalsContact C-N 3.34Å; D815-S817 PolarHBondContact O-N 2.85Å; S817-Q819 PolarHBondContact O-N 3.48Å; S817-T820 PolarHBondContact O-N 3.41Å; S817-T820 PolarHBondContact O-OG1 2.77Å; S817-Y878 VanDerWaalsContact CA-OH 3.29Å; S817-Y878 WeakPolarHBondContact CA-OH 3.4Å; S817-Y878 PolarHBondContact N-OH 3.03Å
818	D	96.8	Very high	96.9	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.021	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-61.4	-25.2	174.3	-88	-49.8	0	0	0	112.8	R613 Y661 L816 T820 K821 N825 V829	R613-D818 IonicContact CZ-OD1 2.8Å; R613-D818 IonicContact CZ-OD2 3.49Å; R613-D818 IonicContact NE-OD1 3.96Å; R613-D818 PolarHBondContact NE-OD1 3.35Å; R613-D818 IonicContact NE-OD2 2.68Å; R613-D818 PolarHBondContact NE-OD2 3.27Å; R613-D818 IonicContact NH2-OD1 2.97Å; R613-D818 IonicContact NH2-OD2 2.65Å; R613-D818 PolarHBondContact NH2-OD2 2.84Å; Y661-D818 WeakPolarHBondContact CE2-OD2 3.37Å; Y661-D818 PolarHBondContact OH-OD2 3.14Å; L816-D818 VanDerWaalsContact C-N 3.26Å; L816-D818 PolarHBondContact O-N 2.92Å; L816-D818 VanDerWaalsContact O-N 3.15Å; D818-T820 PolarHBondContact O-N 3.25Å; D818-K821 PolarHBondContact O-N 2.87Å; D818-N825 PolarHBondContact O-ND2 3.38Å; D818-N825 PolarHBondContact OD1-ND2 3.37Å; D818-N825 VanDerWaalsContact OD1-ND2 3.1Å; D818-V829 HydrophobicContact CB-CB 4.25Å; D818-V829 HydrophobicContact CB-CG1 3.78Å; D818-V829 HydrophobicContact CB-CG2 3.88Å
819	Q	96.6	Very high	96.9	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.019	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-73.5	-14.6	177.8	-56.2	-54.5	-37.6	0	0	112.9	L816 S817 F869 L870 I874	L816-Q819 WeakPolarHBondContact O-CB 3.39Å; L816-Q819 PolarHBondContact O-N 2.94Å; L816-Q819 VanDerWaalsContact O-N 3.12Å; S817-Q819 PolarHBondContact O-N 3.48Å; Q819-F869 HydrophobicContact CG-CE1 4.13Å; Q819-L870 HydrophobicContact CB-CD2 4.4Å; Q819-I874 HydrophobicContact CB-CD1 4.12Å; Q819-I874 HydrophobicContact CB-CG1 4.19Å; Q819-I874 HydrophobicContact CB-CG2 4.03Å; Q819-I874 HydrophobicContact CG-CD1 3.82Å; Q819-I874 HydrophobicContact CG-CG1 4.06Å
820	T	96.7	Very high	96.7	Very high	4 Å²	4	18.1 Å²	18.1	3%	0.025	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-94	3.1	179.9	85.5	0	0	0	0	113	S817 D818 Y878 I891 T894 I895	S817-T820 PolarHBondContact O-N 3.41Å; S817-T820 PolarHBondContact O-OG1 2.77Å; D818-T820 PolarHBondContact O-N 3.25Å; T820-Y878 HydrophobicContact CG2-CD1 4.33Å; T820-Y878 HydrophobicContact CG2-CD2 4.23Å; T820-Y878 HydrophobicContact CG2-CE1 3.65Å; T820-Y878 HydrophobicContact CG2-CE2 3.51Å; T820-Y878 WeakPolarHBondContact CG2-OH 3.43Å; T820-I891 VanDerWaalsContact CB-CG2 3.48Å; T820-I891 HydrophobicContact CG2-CG2 3.4Å; T820-I891 VanDerWaalsContact CG2-CG2 3.4Å; T820-T894 WeakPolarHBondContact O-CG2 3.15Å; T820-I895 HydrophobicContact CG2-CD1 4.36Å
821	K	95.8	Very high	96.6	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.017	11%	0.111	C	C	.	.	S	Bend	trans	-96.7	174.8	-173.8	-54.5	-57.4	174.8	172.1	0	111.1	F608 S610 L611 D818 N825 T826 T894 N898	F608-K821 PolarHBondContact O-NZ 3.02Å; S610-K821 PolarHBondContact O-NZ 3.21Å; L611-K821 HydrophobicContact CD2-CB 3.94Å; L611-K821 HydrophobicContact CD2-CG 4.32Å; D818-K821 PolarHBondContact O-N 2.87Å; K821-N825 HydrophobicContact CB-CB 3.8Å; K821-N825 WeakPolarHBondContact CB-ND2 3.46Å; K821-T826 PolarHBondContact O-OG1 3.45Å; K821-T894 WeakPolarHBondContact O-CG2 3.3Å; K821-N898 PolarHBondContact O-ND2 3.35Å
822	S	94.9	Very high	96.5	Very high	55 Å²	55	23.6 Å²	23.6	39%	0.385	12%	0.116	S	C	.	.			trans	-55.9	153.7	179.4	71.2	0	0	0	0	112.8	N824 N825 T826	S822-N824 PolarHBondContact O-N 2.92Å; S822-N824 VanDerWaalsContact O-N 3.09Å; S822-N825 WeakPolarHBondContact O-CA 3.32Å; S822-N825 WeakPolarHBondContact O-CB 3.45Å; S822-N825 PolarHBondContact O-N 3.11Å; S822-T826 PolarHBondContact O-N 2.88Å; S822-T826 PolarHBondContact O-OG1 3.31Å
823	W	95.7	Very high	96.4	Very high	26 Å²	26	24.6 Å²	24.6	10%	0.098	12%	0.122	C	C	.	.	H	α-helix	trans	-49.5	-39.1	179.5	178.3	-113.8	0	0	0	114.6	N825 T826 V827 N898 N901 W902 I905 L930	W823-N825 VanDerWaalsContact C-N 3.33Å; W823-N825 PolarHBondContact O-N 2.95Å; W823-T826 HydrophobicContact CZ3-CG2 4.49Å; W823-T826 PolarHBondContact O-N 2.97Å; W823-V827 HydrophobicContact CD2-CG2 3.9Å; W823-V827 HydrophobicContact CE3-CG2 4.35Å; W823-V827 HydrophobicContact CG-CG2 4.5Å; W823-V827 HydrophobicContact CH2-CG2 3.95Å; W823-V827 HydrophobicContact CZ2-CG2 3.42Å; W823-V827 VanDerWaalsContact CZ2-CG2 3.42Å; W823-V827 HydrophobicContact CZ3-CG2 4.37Å; W823-V827 WeakPolarHBondContact O-CG2 3.17Å; W823-V827 PolarHBondContact O-N 2.79Å; W823-N898 WeakPolarHBondContact CA-OD1 3.29Å; W823-N898 HydrophobicContact CE3-CB 4.29Å; W823-N898 WeakPolarHBondContact CZ3-O 3.35Å; W823-N898 PolarHBondContact N-OD1 3.31Å; W823-N901 HydrophobicContact CD2-CB 3.8Å; W823-N901 HydrophobicContact CE3-CB 3.51Å; W823-N901 HydrophobicContact CH2-CB 3.63Å; W823-N901 HydrophobicContact CZ2-CB 3.93Å; W823-N901 HydrophobicContact CZ3-CB 3.42Å; W823-N901 VanDerWaalsContact CZ3-CB 3.42Å; W823-W902 AromaticContact CH2-CD2 3.53Å; W823-W902 HydrophobicContact CH2-CD2 3.53Å; W823-W902 AromaticContact CH2-CE2 3.65Å; W823-W902 AromaticContact CH2-CE3 3.92Å; W823-W902 HydrophobicContact CH2-CE3 3.92Å; W823-W902 AromaticContact CH2-CG 3.81Å; W823-W902 HydrophobicContact CH2-CG 3.81Å; W823-W902 HydrophobicContact CH2-CH2 4.45Å; W823-W902 HydrophobicContact CH2-CZ2 4.12Å; W823-W902 HydrophobicContact CH2-CZ3 4.36Å; W823-W902 AromaticContact CH2-NE1 3.98Å; W823-W902 AromaticContact CZ3-CD1 3.65Å; W823-W902 AromaticContact CZ3-CD2 3.93Å; W823-W902 HydrophobicContact CZ3-CD2 3.93Å; W823-W902 AromaticContact CZ3-CE2 3.75Å; W823-W902 AromaticContact CZ3-CG 3.86Å; W823-W902 HydrophobicContact CZ3-CG 3.86Å; W823-W902 HydrophobicContact CZ3-CZ2 4.4Å; W823-W902 AromaticContact CZ3-NE1 3.59Å; W823-I905 HydrophobicContact CH2-CG1 4.38Å; W823-I905 HydrophobicContact CZ2-CG1 4.06Å; W823-L930 HydrophobicContact CD2-CD1 4.16Å; W823-L930 HydrophobicContact CH2-CD1 4.23Å; W823-L930 HydrophobicContact CZ2-CD1 3.29Å
824	N	94.7	Very high	96.3	Very high	102 Å²	102	25 Å²	25	55%	0.545	12%	0.123	S	C	.	.	H	α-helix	trans	-61.2	-43	177	-172.6	23.2	0	0	0	111.5	S822 Y828 V927	S822-N824 PolarHBondContact O-N 2.92Å; S822-N824 VanDerWaalsContact O-N 3.09Å; N824-Y828 WeakPolarHBondContact O-CB 3.3Å; N824-Y828 PolarHBondContact O-N 3.49Å; N824-Y828 VanDerWaalsContact O-N 3.1Å; N824-V927 HydrophobicContact CB-CG2 4.34Å
825	N	94.3	Very high	96.2	Very high	11 Å²	11	29.2 Å²	29.2	6%	0.059	14%	0.143	C	C	.	.	H	α-helix	trans	-65.8	-45.5	174.4	-169.3	76.2	0	0	0	111.3	L611 D818 K821 S822 W823 V827 Y828 V829	L611-N825 HydrophobicContact CD2-CB 3.64Å; D818-N825 PolarHBondContact O-ND2 3.38Å; D818-N825 PolarHBondContact OD1-ND2 3.37Å; D818-N825 VanDerWaalsContact OD1-ND2 3.1Å; K821-N825 HydrophobicContact CB-CB 3.8Å; K821-N825 WeakPolarHBondContact CB-ND2 3.46Å; S822-N825 WeakPolarHBondContact O-CA 3.32Å; S822-N825 WeakPolarHBondContact O-CB 3.45Å; S822-N825 PolarHBondContact O-N 3.11Å; W823-N825 VanDerWaalsContact C-N 3.33Å; W823-N825 PolarHBondContact O-N 2.95Å; N825-V827 VanDerWaalsContact C-N 3.35Å; N825-V827 PolarHBondContact O-N 3.47Å; N825-Y828 PolarHBondContact O-N 3.23Å; N825-V829 WeakPolarHBondContact O-CB 3.27Å; N825-V829 WeakPolarHBondContact O-CG2 3.02Å; N825-V829 PolarHBondContact O-N 2.89Å
826	T	95.6	Very high	96.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58	-45.3	-179.8	-55.1	0	0	0	0	112	K821 S822 W823 A830 N898	K821-T826 PolarHBondContact O-OG1 3.45Å; S822-T826 PolarHBondContact O-N 2.88Å; S822-T826 PolarHBondContact O-OG1 3.31Å; W823-T826 HydrophobicContact CZ3-CG2 4.49Å; W823-T826 PolarHBondContact O-N 2.97Å; T826-A830 VanDerWaalsContact O-CB 3.26Å; T826-A830 WeakPolarHBondContact O-CB 3.24Å; T826-A830 PolarHBondContact O-N 2.64Å; T826-N898 PolarHBondContact OG1-ND2 2.75Å
827	V	95.6	Very high	96	Very high	17 Å²	17	30.8 Å²	30.8	10%	0.103	15%	0.148	C	C	.	.	H	α-helix	trans	-64.7	-44.2	176	171.5	0	0	0	0	111.3	W823 N825 A830 K831 L926	W823-V827 HydrophobicContact CD2-CG2 3.9Å; W823-V827 HydrophobicContact CE3-CG2 4.35Å; W823-V827 HydrophobicContact CG-CG2 4.5Å; W823-V827 HydrophobicContact CH2-CG2 3.95Å; W823-V827 HydrophobicContact CZ2-CG2 3.42Å; W823-V827 VanDerWaalsContact CZ2-CG2 3.42Å; W823-V827 HydrophobicContact CZ3-CG2 4.37Å; W823-V827 WeakPolarHBondContact O-CG2 3.17Å; W823-V827 PolarHBondContact O-N 2.79Å; N825-V827 VanDerWaalsContact C-N 3.35Å; N825-V827 PolarHBondContact O-N 3.47Å; V827-A830 PolarHBondContact O-N 2.96Å; V827-K831 PolarHBondContact O-N 3.21Å; V827-L926 HydrophobicContact CG1-CB 4.23Å; V827-L926 HydrophobicContact CG1-CD1 4.04Å; V827-L926 HydrophobicContact CG1-CG 4.41Å; V827-L926 HydrophobicContact CG2-CB 4.24Å; V827-L926 HydrophobicContact CG2-CD1 4.35Å
828	Y	95.3	Very high	96	Very high	118 Å²	118	30.7 Å²	30.7	46%	0.463	15%	0.148	S	C	.	.	H	α-helix	trans	-61.7	-46	178.5	175.6	-110.8	0	0	0	112	N824 N825 K831 L832	N824-Y828 WeakPolarHBondContact O-CB 3.3Å; N824-Y828 PolarHBondContact O-N 3.49Å; N824-Y828 VanDerWaalsContact O-N 3.1Å; N825-Y828 PolarHBondContact O-N 3.23Å; Y828-K831 WeakPolarHBondContact O-CB 3.34Å; Y828-K831 PolarHBondContact O-N 2.91Å; Y828-L832 HydrophobicContact CD1-CD1 4.31Å; Y828-L832 HydrophobicContact CE1-CD1 3.71Å; Y828-L832 HydrophobicContact CE1-CG 4.44Å; Y828-L832 HydrophobicContact CE2-CD2 4.47Å; Y828-L832 PolarHBondContact O-N 2.92Å
829	V	96.5	Very high	95.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67	-42.5	178.3	167.4	0	0	0	0	111.3	Y661 D818 N825 K831 L832 I833	Y661-V829 HydrophobicContact CD2-CG1 4.14Å; Y661-V829 HydrophobicContact CE2-CG1 3.49Å; Y661-V829 VanDerWaalsContact CE2-CG1 3.49Å; D818-V829 HydrophobicContact CB-CB 4.25Å; D818-V829 HydrophobicContact CB-CG1 3.78Å; D818-V829 HydrophobicContact CB-CG2 3.88Å; N825-V829 WeakPolarHBondContact O-CB 3.27Å; N825-V829 WeakPolarHBondContact O-CG2 3.02Å; N825-V829 PolarHBondContact O-N 2.89Å; V829-K831 PolarHBondContact O-N 3.45Å; V829-L832 PolarHBondContact O-N 3.15Å; V829-I833 HydrophobicContact CG1-CD1 3.61Å; V829-I833 HydrophobicContact CG1-CG1 4.16Å; V829-I833 WeakPolarHBondContact O-CG1 3.4Å; V829-I833 PolarHBondContact O-N 2.93Å
830	A	96.1	Very high	95.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-55.6	-41.6	174.2	0	0	0	0	0	111	T826 V827 L832 I833 Y834 W902 F922	T826-A830 VanDerWaalsContact O-CB 3.26Å; T826-A830 WeakPolarHBondContact O-CB 3.24Å; T826-A830 PolarHBondContact O-N 2.64Å; V827-A830 PolarHBondContact O-N 2.96Å; A830-L832 PolarHBondContact O-N 3.41Å; A830-I833 PolarHBondContact O-N 3.22Å; A830-Y834 WeakPolarHBondContact O-CD2 3.48Å; A830-Y834 PolarHBondContact O-N 3.36Å; A830-W902 HydrophobicContact CB-CH2 4.27Å; A830-W902 HydrophobicContact CB-CZ2 3.9Å; A830-F922 HydrophobicContact CB-CE1 4.09Å; A830-F922 HydrophobicContact CB-CZ 4.04Å
831	K	95.9	Very high	95.8	Very high	97 Å²	97	34.2 Å²	34.2	42%	0.422	16%	0.164	S	C	.	.	H	α-helix	trans	-57.5	-47.4	174.8	-176.3	-176.7	175.4	179.8	0	112.1	V827 Y828 V829 E835 F922	V827-K831 PolarHBondContact O-N 3.21Å; Y828-K831 WeakPolarHBondContact O-CB 3.34Å; Y828-K831 PolarHBondContact O-N 2.91Å; V829-K831 PolarHBondContact O-N 3.45Å; K831-E835 WeakPolarHBondContact O-CB 3.34Å; K831-E835 PolarHBondContact O-N 2.89Å; K831-F922 HydrophobicContact CB-CB 4.49Å; K831-F922 HydrophobicContact CB-CD1 3.68Å; K831-F922 HydrophobicContact CB-CD2 4.23Å; K831-F922 HydrophobicContact CB-CE1 3.85Å; K831-F922 HydrophobicContact CB-CE2 4.38Å; K831-F922 HydrophobicContact CB-CG 3.88Å; K831-F922 HydrophobicContact CB-CZ 4.19Å; K831-F922 HydrophobicContact CD-CB 4.13Å; K831-F922 HydrophobicContact CD-CG 4.41Å; K831-F922 HydrophobicContact CG-CB 4.03Å; K831-F922 HydrophobicContact CG-CD1 4.15Å; K831-F922 HydrophobicContact CG-CD2 4.11Å; K831-F922 HydrophobicContact CG-CG 3.83Å
832	L	96.5	Very high	95.8	Very high	20 Å²	20	36.8 Å²	36.8	11%	0.105	18%	0.178	C	C	.	.	H	α-helix	trans	-63.7	-44.7	179.8	-61.8	179.7	0	0	0	112.1	A660 Y661 Y828 V829 A830 E835 E836	A660-L832 WeakPolarHBondContact CB-O 3.4Å; Y661-L832 HydrophobicContact CD2-CB 4.16Å; Y828-L832 HydrophobicContact CD1-CD1 4.31Å; Y828-L832 HydrophobicContact CE1-CD1 3.71Å; Y828-L832 HydrophobicContact CE1-CG 4.44Å; Y828-L832 HydrophobicContact CE2-CD2 4.47Å; Y828-L832 PolarHBondContact O-N 2.92Å; V829-L832 PolarHBondContact O-N 3.15Å; A830-L832 PolarHBondContact O-N 3.41Å; L832-E835 PolarHBondContact O-N 3.03Å; L832-E836 PolarHBondContact O-N 3.05Å; L832-E836 VanDerWaalsContact O-N 3.12Å
833	I	96.5	Very high	95.7	Very high	21 Å²	21	37.7 Å²	37.7	11%	0.108	18%	0.177	C	C	.	.	H	α-helix	trans	-61.5	-49	179.6	-68.2	169.4	0	0	0	110.5	Y661 V829 A830 E836 F837	Y661-I833 HydrophobicContact CD1-CG1 3.83Å; Y661-I833 HydrophobicContact CD2-CD1 4.43Å; Y661-I833 HydrophobicContact CD2-CG1 3.72Å; Y661-I833 HydrophobicContact CE1-CD1 4.32Å; Y661-I833 HydrophobicContact CE1-CG1 4.09Å; Y661-I833 HydrophobicContact CE2-CD1 4.22Å; Y661-I833 HydrophobicContact CE2-CG1 4.01Å; Y661-I833 HydrophobicContact CG-CG1 3.62Å; V829-I833 HydrophobicContact CG1-CD1 3.61Å; V829-I833 HydrophobicContact CG1-CG1 4.16Å; V829-I833 WeakPolarHBondContact O-CG1 3.4Å; V829-I833 PolarHBondContact O-N 2.93Å; A830-I833 PolarHBondContact O-N 3.22Å; I833-E836 WeakPolarHBondContact O-CB 3.3Å; I833-E836 PolarHBondContact O-N 2.8Å; I833-F837 HydrophobicContact CG2-CD1 4.24Å; I833-F837 HydrophobicContact CG2-CD2 4.07Å; I833-F837 HydrophobicContact CG2-CE1 3.89Å; I833-F837 HydrophobicContact CG2-CE2 3.7Å; I833-F837 HydrophobicContact CG2-CG 4.33Å; I833-F837 HydrophobicContact CG2-CZ 3.61Å; I833-F837 WeakPolarHBondContact O-CG 3.38Å; I833-F837 PolarHBondContact O-N 2.82Å
834	Y	96.3	Very high	95.6	Very high	8 Å²	8	36.9 Å²	36.9	3%	0.031	17%	0.174	C	C	.	.	H	α-helix	trans	-70.5	-32	-179.5	-79.6	-70.3	0	0	0	112.9	A830 E836 F837 F838 V862 L865 Q866 F922	A830-Y834 WeakPolarHBondContact O-CD2 3.48Å; A830-Y834 PolarHBondContact O-N 3.36Å; Y834-E836 VanDerWaalsContact C-N 3.25Å; Y834-E836 PolarHBondContact O-N 3.04Å; Y834-F837 HydrophobicContact CD1-CD2 4.21Å; Y834-F837 HydrophobicContact CE1-CD2 4.3Å; Y834-F837 PolarHBondContact O-N 3.28Å; Y834-F838 AromaticContact CD1-CE1 3.83Å; Y834-F838 HydrophobicContact CD1-CE1 3.83Å; Y834-F838 HydrophobicContact CD1-CE2 4.33Å; Y834-F838 AromaticContact CD1-CZ 3.6Å; Y834-F838 HydrophobicContact CD1-CZ 3.6Å; Y834-F838 HydrophobicContact CG-CE2 4.38Å; Y834-F838 HydrophobicContact CG-CZ 4.06Å; Y834-F838 VanDerWaalsContact O-CB 3.28Å; Y834-F838 WeakPolarHBondContact O-CB 3.32Å; Y834-F838 WeakPolarHBondContact O-CD2 3.3Å; Y834-F838 WeakPolarHBondContact O-CG 3.37Å; Y834-F838 PolarHBondContact O-N 3.1Å; Y834-V862 HydrophobicContact CD1-CG2 4.1Å; Y834-V862 HydrophobicContact CD2-CB 4.46Å; Y834-V862 HydrophobicContact CD2-CG1 3.92Å; Y834-V862 HydrophobicContact CD2-CG2 3.86Å; Y834-V862 HydrophobicContact CE1-CG2 4.12Å; Y834-V862 HydrophobicContact CE2-CB 4.13Å; Y834-V862 HydrophobicContact CE2-CG1 3.58Å; Y834-V862 HydrophobicContact CE2-CG2 3.89Å; Y834-V862 HydrophobicContact CG-CG2 3.98Å; Y834-L865 HydrophobicContact CE1-CD1 3.94Å; Y834-L865 WeakPolarHBondContact OH-CB 3.29Å; Y834-Q866 HydrophobicContact CE2-CG 4.07Å; Y834-F922 HydrophobicContact CD2-CE2 4.17Å; Y834-F922 AromaticContact CD2-CZ 3.97Å; Y834-F922 HydrophobicContact CD2-CZ 3.97Å; Y834-F922 HydrophobicContact CG-CE2 4.44Å
835	E	95.8	Very high	95.6	Very high	89 Å²	89	35.5 Å²	35.5	42%	0.416	16%	0.163	S	C	.	.	H	α-helix	trans	-57.7	-43.1	170.5	-177.9	171	175.9	0	0	111	A660 K831 L832 Q839	A660-E835 HydrophobicContact CB-CB 4.03Å; A660-E835 HydrophobicContact CB-CG 3.97Å; K831-E835 WeakPolarHBondContact O-CB 3.34Å; K831-E835 PolarHBondContact O-N 2.89Å; L832-E835 PolarHBondContact O-N 3.03Å; E835-Q839 VanDerWaalsContact O-CG 3.24Å; E835-Q839 WeakPolarHBondContact O-CG 3.32Å; E835-Q839 PolarHBondContact O-N 3.41Å; E835-Q839 VanDerWaalsContact O-N 3.09Å
836	E	96.7	Very high	95.5	Very high	5 Å²	5	39.6 Å²	39.6	2%	0.023	19%	0.193	C	C	.	.	H	α-helix	trans	-68.1	-47.3	175.6	-158.8	174.6	117.7	0	0	112.7	P659 A660 Y661 H662 H707 G709 L832 I833 Y834 F838 Q839 Q840	P659-E836 HydrophobicContact CB-CG 4.45Å; P659-E836 WeakPolarHBondContact CB-OE2 3.37Å; A660-E836 HydrophobicContact CB-CB 4.22Å; Y661-E836 PolarHBondContact N-OE2 2.99Å; H662-E836 IonicContact CE1-OE1 3.4Å; H662-E836 PolarHBondContact CE1-OE1 3.49Å; H662-E836 IonicContact CG-OE1 3.49Å; H662-E836 PolarHBondContact N-OE2 3.32Å; H662-E836 VanDerWaalsContact N-OE2 3.15Å; H662-E836 IonicContact ND1-OE1 3.28Å; H662-E836 PolarHBondContact ND1-OE1 3.28Å; H662-E836 IonicContact ND1-OE2 3.15Å; H707-E836 IonicContact CE1-OE1 2.86Å; H707-E836 IonicContact ND1-OE1 2.97Å; G709-E836 VanDerWaalsContact CA-OE1 3.29Å; G709-E836 WeakPolarHBondContact CA-OE1 3.3Å; L832-E836 PolarHBondContact O-N 3.05Å; L832-E836 VanDerWaalsContact O-N 3.12Å; I833-E836 WeakPolarHBondContact O-CB 3.3Å; I833-E836 PolarHBondContact O-N 2.8Å; Y834-E836 VanDerWaalsContact C-N 3.25Å; Y834-E836 PolarHBondContact O-N 3.04Å; E836-F838 VanDerWaalsContact C-N 3.3Å; E836-F838 PolarHBondContact O-N 3.03Å; E836-Q839 WeakPolarHBondContact O-CB 3.45Å; E836-Q839 PolarHBondContact O-N 3.12Å; E836-Q840 PolarHBondContact O-N 2.88Å
837	F	96.6	Very high	95.2	Very high	59 Å²	59	44.1 Å²	44.1	26%	0.259	22%	0.216	S	C	.	.	H	α-helix	trans	-58.9	-41.1	178.3	-76.1	3.7	0	0	0	112.2	I833 Y834 Q840 G841 M855	I833-F837 HydrophobicContact CG2-CD1 4.24Å; I833-F837 HydrophobicContact CG2-CD2 4.07Å; I833-F837 HydrophobicContact CG2-CE1 3.89Å; I833-F837 HydrophobicContact CG2-CE2 3.7Å; I833-F837 HydrophobicContact CG2-CG 4.33Å; I833-F837 HydrophobicContact CG2-CZ 3.61Å; I833-F837 WeakPolarHBondContact O-CG 3.38Å; I833-F837 PolarHBondContact O-N 2.82Å; Y834-F837 HydrophobicContact CD1-CD2 4.21Å; Y834-F837 HydrophobicContact CE1-CD2 4.3Å; Y834-F837 PolarHBondContact O-N 3.28Å; F837-Q840 PolarHBondContact O-N 2.92Å; F837-G841 PolarHBondContact O-N 3.33Å; F837-M855 HydrophobicContact CB-CG 4.05Å; F837-M855 HydrophobicContact CD1-CE 4.12Å; F837-M855 HydrophobicContact CE1-CE 4.36Å; F837-M855 HydrophobicContact CG-CE 4.36Å; F837-M855 HydrophobicContact CG-CG 4.3Å
838	F	96.2	Very high	94.9	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-72.4	-34.5	178.5	-60.3	-26.2	0	0	0	112.3	Y834 E836 Q840 G841 D842 R857 A860 V862	Y834-F838 AromaticContact CD1-CE1 3.83Å; Y834-F838 HydrophobicContact CD1-CE1 3.83Å; Y834-F838 HydrophobicContact CD1-CE2 4.33Å; Y834-F838 AromaticContact CD1-CZ 3.6Å; Y834-F838 HydrophobicContact CD1-CZ 3.6Å; Y834-F838 HydrophobicContact CG-CE2 4.38Å; Y834-F838 HydrophobicContact CG-CZ 4.06Å; Y834-F838 VanDerWaalsContact O-CB 3.28Å; Y834-F838 WeakPolarHBondContact O-CB 3.32Å; Y834-F838 WeakPolarHBondContact O-CD2 3.3Å; Y834-F838 WeakPolarHBondContact O-CG 3.37Å; Y834-F838 PolarHBondContact O-N 3.1Å; E836-F838 VanDerWaalsContact C-N 3.3Å; E836-F838 PolarHBondContact O-N 3.03Å; F838-Q840 VanDerWaalsContact C-N 3.32Å; F838-G841 PolarHBondContact O-N 3.4Å; F838-D842 WeakPolarHBondContact O-CB 3.39Å; F838-D842 PolarHBondContact O-N 2.84Å; F838-R857 HydrophobicContact CB-CB 3.98Å; F838-R857 HydrophobicContact CD1-CB 3.8Å; F838-R857 HydrophobicContact CD2-CB 3.89Å; F838-R857 HydrophobicContact CE1-CB 4.27Å; F838-R857 HydrophobicContact CE2-CB 4.35Å; F838-R857 HydrophobicContact CG-CB 3.61Å; F838-A860 HydrophobicContact CE1-CB 3.63Å; F838-A860 HydrophobicContact CZ-CB 3.83Å; F838-V862 HydrophobicContact CZ-CG2 4.45Å
839	Q	95.8	Very high	94.6	Very high	83 Å²	83	44.4 Å²	44.4	39%	0.388	24%	0.239	S	C	.	.	H	α-helix	trans	-61	-42.7	170.5	-74.9	172.7	18.4	0	0	111.2	E835 E836 M843	E835-Q839 VanDerWaalsContact O-CG 3.24Å; E835-Q839 WeakPolarHBondContact O-CG 3.32Å; E835-Q839 PolarHBondContact O-N 3.41Å; E835-Q839 VanDerWaalsContact O-N 3.09Å; E836-Q839 WeakPolarHBondContact O-CB 3.45Å; E836-Q839 PolarHBondContact O-N 3.12Å; Q839-M843 WeakPolarHBondContact O-CG 3.4Å; Q839-M843 PolarHBondContact O-N 2.91Å; Q839-M843 VanDerWaalsContact O-N 3.15Å
840	Q	95.1	Very high	94.3	Very high	3 Å²	3	51.8 Å²	51.8	1%	0.014	28%	0.278	C	S	.	.	H	α-helix	trans	-60.4	-49.9	172.3	178.2	180	-37.7	0	0	111.5	T710 N711 F714 E836 F837 F838 D842 M843 E844 M855	T710-Q840 HydrophobicContact CG2-CB 4.41Å; T710-Q840 HydrophobicContact CG2-CG 4.22Å; N711-Q840 PolarHBondContact OD1-NE2 3.08Å; F714-Q840 HydrophobicContact CB-CG 4.35Å; F714-Q840 HydrophobicContact CD2-CG 3.9Å; F714-Q840 HydrophobicContact CG-CG 4.29Å; E836-Q840 PolarHBondContact O-N 2.88Å; F837-Q840 PolarHBondContact O-N 2.92Å; F838-Q840 VanDerWaalsContact C-N 3.32Å; Q840-D842 VanDerWaalsContact C-N 3.28Å; Q840-D842 PolarHBondContact O-N 3.3Å; Q840-M843 HydrophobicContact CB-CE 4.45Å; Q840-M843 WeakPolarHBondContact O-CA 3.36Å; Q840-M843 WeakPolarHBondContact O-CB 3.43Å; Q840-M843 PolarHBondContact O-N 3.22Å; Q840-E844 HydrophobicContact CG-CG 4.41Å; Q840-E844 PolarHBondContact NE2-OE1 3.39Å; Q840-E844 WeakPolarHBondContact O-CG 3.31Å; Q840-E844 PolarHBondContact O-N 3.21Å; Q840-M855 HydrophobicContact CG-SD 4.24Å; Q840-M855 PolarHBondContact NE2-SD 3.26Å
841	G	95.9	Very high	94.1	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.8	-34.7	-178.4	0	0	0	0	0	113.5	F837 F838 E844 K845 M855	F837-G841 PolarHBondContact O-N 3.33Å; F838-G841 PolarHBondContact O-N 3.4Å; G841-E844 PolarHBondContact O-N 2.79Å; G841-K845 WeakPolarHBondContact O-CG 3.17Å; G841-K845 PolarHBondContact O-N 3.04Å; G841-M855 WeakPolarHBondContact CA-O 3.41Å
842	D	95.4	Very high	93.9	Very high	58 Å²	58	52.1 Å²	52.1	31%	0.31	28%	0.284	S	S	.	.	H	α-helix	trans	-66.3	-39.5	173.3	-64.1	-21.8	0	0	0	111.5	F838 Q840 K845 S846 R857	F838-D842 WeakPolarHBondContact O-CB 3.39Å; F838-D842 PolarHBondContact O-N 2.84Å; Q840-D842 VanDerWaalsContact C-N 3.28Å; Q840-D842 PolarHBondContact O-N 3.3Å; D842-K845 PolarHBondContact O-N 3.24Å; D842-S846 PolarHBondContact O-N 3.36Å; D842-R857 IonicContact OD1-CZ 3.23Å; D842-R857 IonicContact OD1-NE 3.39Å; D842-R857 PolarHBondContact OD1-NE 3.4Å; D842-R857 IonicContact OD1-NH2 3.19Å; D842-R857 IonicContact OD2-CZ 2.76Å; D842-R857 IonicContact OD2-NE 2.66Å; D842-R857 PolarHBondContact OD2-NE 3.47Å; D842-R857 IonicContact OD2-NH2 2.9Å; D842-R857 PolarHBondContact OD2-NH2 3.48Å
843	M	93.3	Very high	93.6	Very high	74 Å²	74	55.6 Å²	55.6	37%	0.365	30%	0.303	S	S	.	.	H	α-helix	trans	-63.8	-42.9	173.1	-69.9	-173.6	-68.9	0	0	111.3	T710 F714 Q839 Q840 K845 S846 L847	T710-M843 HydrophobicContact CG2-CE 3.42Å; T710-M843 VanDerWaalsContact CG2-CE 3.42Å; F714-M843 HydrophobicContact CE2-CB 3.93Å; F714-M843 HydrophobicContact CZ-CB 4.1Å; Q839-M843 WeakPolarHBondContact O-CG 3.4Å; Q839-M843 PolarHBondContact O-N 2.91Å; Q839-M843 VanDerWaalsContact O-N 3.15Å; Q840-M843 HydrophobicContact CB-CE 4.45Å; Q840-M843 WeakPolarHBondContact O-CA 3.36Å; Q840-M843 WeakPolarHBondContact O-CB 3.43Å; Q840-M843 PolarHBondContact O-N 3.22Å; M843-K845 PolarHBondContact O-N 3.18Å; M843-S846 WeakPolarHBondContact O-CB 3.42Å; M843-S846 PolarHBondContact O-N 3.25Å; M843-S846 VanDerWaalsContact O-N 3.15Å; M843-S846 PolarHBondContact O-OG 3.15Å; M843-L847 WeakPolarHBondContact O-CG 3.33Å; M843-L847 PolarHBondContact O-N 3.45Å; M843-L847 VanDerWaalsContact O-N 3.1Å
844	E	94.3	Very high	93.3	Very high	9 Å²	9	55.9 Å²	55.9	4%	0.042	31%	0.306	C	S	.	.	H	α-helix	trans	-58.8	-45.6	175.1	-70.8	175.6	172.1	0	0	111.5	F714 Q840 G841 S846 L847 G848 H849 P851	F714-E844 HydrophobicContact CD2-CG 3.49Å; F714-E844 VanDerWaalsContact CD2-CG 3.49Å; F714-E844 HydrophobicContact CE2-CG 3.77Å; Q840-E844 HydrophobicContact CG-CG 4.41Å; Q840-E844 PolarHBondContact NE2-OE1 3.39Å; Q840-E844 WeakPolarHBondContact O-CG 3.31Å; Q840-E844 PolarHBondContact O-N 3.21Å; G841-E844 PolarHBondContact O-N 2.79Å; E844-S846 VanDerWaalsContact C-N 3.32Å; E844-S846 PolarHBondContact O-N 3.04Å; E844-L847 CarbonylContact O-C 3.6Å; E844-L847 PolarHBondContact O-N 3.5Å; E844-L847 VanDerWaalsContact O-N 3.11Å; E844-G848 PolarHBondContact O-N 3.03Å; E844-H849 CarbonylContact C-O 3.51Å; E844-H849 HydrophobicContact CB-CB 4.27Å; E844-H849 WeakPolarHBondContact O-CB 3.01Å; E844-H849 PolarHBondContact O-N 3.17Å; E844-P851 HydrophobicContact CB-CB 4.49Å; E844-P851 VanDerWaalsContact OE2-CA 3.24Å; E844-P851 WeakPolarHBondContact OE2-CA 3.41Å; E844-P851 WeakPolarHBondContact OE2-CB 3.45Å
845	K	93.4	Very high	93.2	Very high	72 Å²	72	55.8 Å²	55.8	31%	0.313	31%	0.306	S	S	.	.	H	α-helix	trans	-59.1	-41.6	174	-72.7	175.8	-178.4	175.5	0	112.1	G841 D842 M843 L847 G848 H849 P851 D856 E858	G841-K845 WeakPolarHBondContact O-CG 3.17Å; G841-K845 PolarHBondContact O-N 3.04Å; D842-K845 PolarHBondContact O-N 3.24Å; M843-K845 PolarHBondContact O-N 3.18Å; K845-L847 PolarHBondContact O-N 3.17Å; K845-G848 PolarHBondContact O-N 3.1Å; K845-H849 WeakPolarHBondContact CA-O 3.3Å; K845-H849 PolarHBondContact N-O 3.05Å; K845-P851 HydrophobicContact CD-CG 4.33Å; K845-P851 HydrophobicContact CG-CG 4.02Å; K845-D856 VanDerWaalsContact NZ-CG 3.34Å; K845-D856 IonicContact NZ-OD1 3.71Å; K845-D856 PolarHBondContact NZ-OD1 3.32Å; K845-D856 IonicContact NZ-OD2 3.57Å; K845-D856 PolarHBondContact NZ-OD2 2.91Å; K845-E858 IonicContact NZ-OE2 2.98Å; K845-E858 PolarHBondContact NZ-OE2 3.28Å
846	S	92.5	Very high	93.1	Very high	97 Å²	97	52 Å²	52	68%	0.678	29%	0.289	S	S	*	.	H	α-helix	trans	-64.5	-26.6	178	81.8	0	0	0	0	113.4	D842 M843 E844 G848	D842-S846 PolarHBondContact O-N 3.36Å; M843-S846 WeakPolarHBondContact O-CB 3.42Å; M843-S846 PolarHBondContact O-N 3.25Å; M843-S846 VanDerWaalsContact O-N 3.15Å; M843-S846 PolarHBondContact O-OG 3.15Å; E844-S846 VanDerWaalsContact C-N 3.32Å; E844-S846 PolarHBondContact O-N 3.04Å; S846-G848 VanDerWaalsContact C-N 3.31Å
847	L	88.8	Confident	92.9	Very high	95 Å²	95	55.2 Å²	55.2	50%	0.497	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-0.3	174.2	-64.6	173.4	0	0	0	112.8	F714 M843 E844 K845	F714-L847 HydrophobicContact CE2-CD1 4.08Å; F714-L847 HydrophobicContact CZ-CD1 4.04Å; M843-L847 WeakPolarHBondContact O-CG 3.33Å; M843-L847 PolarHBondContact O-N 3.45Å; M843-L847 VanDerWaalsContact O-N 3.1Å; E844-L847 CarbonylContact O-C 3.6Å; E844-L847 PolarHBondContact O-N 3.5Å; E844-L847 VanDerWaalsContact O-N 3.11Å; K845-L847 PolarHBondContact O-N 3.17Å
848	G	89.9	Confident	92.5	Very high	67 Å²	67	57.8 Å²	57.8	69%	0.691	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	17	-178.8	0	0	0	0	0	114.5	E844 K845 S846	E844-G848 PolarHBondContact O-N 3.03Å; K845-G848 PolarHBondContact O-N 3.1Å; S846-G848 VanDerWaalsContact C-N 3.31Å
849	H	89.2	Confident	92.3	Very high	75 Å²	75	63.4 Å²	63.4	35%	0.347	34%	0.335	S	S	.	.			trans	-99.6	151.6	176.1	-62.5	-59.2	0	0	0	111.7	E844 K845 P851	E844-H849 CarbonylContact C-O 3.51Å; E844-H849 HydrophobicContact CB-CB 4.27Å; E844-H849 WeakPolarHBondContact O-CB 3.01Å; E844-H849 PolarHBondContact O-N 3.17Å; K845-H849 WeakPolarHBondContact CA-O 3.3Å; K845-H849 PolarHBondContact N-O 3.05Å; H849-P851 WeakPolarHBondContact O-CD 3.28Å
850	N	89.3	Confident	92.1	Very high	155 Å²	155	59.4 Å²	59.4	83%	0.829	32%	0.316	S	S	*	.			trans	-92.6	114.9	171.9	-73.4	-24.1	0	0	0	108.8
851	P	91.8	Very high	92.1	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.032	33%	0.326	C	S	.	.			trans	-63.3	157.6	177.4	22.6	-30.9	0	0	0	111.5	E844 K845 H849 M855 D856 R859	E844-P851 HydrophobicContact CB-CB 4.49Å; E844-P851 VanDerWaalsContact OE2-CA 3.24Å; E844-P851 WeakPolarHBondContact OE2-CA 3.41Å; E844-P851 WeakPolarHBondContact OE2-CB 3.45Å; K845-P851 HydrophobicContact CD-CG 4.33Å; K845-P851 HydrophobicContact CG-CG 4.02Å; H849-P851 WeakPolarHBondContact O-CD 3.28Å; P851-M855 HydrophobicContact CB-CB 4.11Å; P851-D856 HydrophobicContact CB-CB 4.43Å; P851-D856 HydrophobicContact CG-CB 3.91Å; P851-R859 PolarHBondContact O-NH2 3.09Å
852	I	92.5	Very high	92	Very high	99 Å²	99	60.9 Å²	60.9	51%	0.508	33%	0.326	S	S	.	.			trans	-67	156.1	168.6	59.7	171.3	0	0	0	110.2	S854 M855 D856	I852-S854 VanDerWaalsContact CD1-OG 3.27Å; I852-S854 WeakPolarHBondContact CD1-OG 3.32Å; I852-S854 PolarHBondContact O-N 2.89Å; I852-S854 VanDerWaalsContact O-N 3.07Å; I852-M855 HydrophobicContact CD1-CG 4.2Å; I852-M855 HydrophobicContact CD1-SD 4.09Å; I852-M855 HydrophobicContact CG1-CB 4.06Å; I852-M855 HydrophobicContact CG1-CG 3.81Å; I852-M855 HydrophobicContact CG1-SD 3.93Å; I852-M855 PolarHBondContact O-N 3.46Å; I852-D856 PolarHBondContact O-N 3.39Å
853	D	90.4	Very high	92	Very high	93 Å²	93	58.1 Å²	58.1	50%	0.497	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-32	-172	-69.1	4.7	0	0	0	113.8	M855 R859 A860	D853-M855 VanDerWaalsContact C-N 3.29Å; D853-M855 PolarHBondContact O-N 3.23Å; D853-R859 IonicContact OD1-CZ 3.17Å; D853-R859 VanDerWaalsContact OD1-CZ 3.29Å; D853-R859 IonicContact OD1-NH1 2.7Å; D853-R859 PolarHBondContact OD1-NH1 2.96Å; D853-R859 IonicContact OD1-NH2 2.78Å; D853-A860 WeakPolarHBondContact O-CA 3.37Å; D853-A860 VanDerWaalsContact O-CB 3.3Å; D853-A860 WeakPolarHBondContact O-CB 3.46Å; D853-A860 PolarHBondContact O-N 3.41Å
854	S	89.8	Confident	92	Very high	27 Å²	27	58.2 Å²	58.2	19%	0.189	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-20.2	177	56.1	0	0	0	0	114.4	I852	I852-S854 VanDerWaalsContact CD1-OG 3.27Å; I852-S854 WeakPolarHBondContact CD1-OG 3.32Å; I852-S854 PolarHBondContact O-N 2.89Å; I852-S854 VanDerWaalsContact O-N 3.07Å
855	M	93.9	Very high	92.1	Very high	6 Å²	6	59.8 Å²	59.8	3%	0.03	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-8.2	179.5	-64.1	-176.9	164.4	0	0	112.4	N711 F837 Q840 G841 P851 I852 D853	N711-M855 WeakPolarHBondContact ND2-CE 3.33Å; F837-M855 HydrophobicContact CB-CG 4.05Å; F837-M855 HydrophobicContact CD1-CE 4.12Å; F837-M855 HydrophobicContact CE1-CE 4.36Å; F837-M855 HydrophobicContact CG-CE 4.36Å; F837-M855 HydrophobicContact CG-CG 4.3Å; Q840-M855 HydrophobicContact CG-SD 4.24Å; Q840-M855 PolarHBondContact NE2-SD 3.26Å; G841-M855 WeakPolarHBondContact CA-O 3.41Å; P851-M855 HydrophobicContact CB-CB 4.11Å; I852-M855 HydrophobicContact CD1-CG 4.2Å; I852-M855 HydrophobicContact CD1-SD 4.09Å; I852-M855 HydrophobicContact CG1-CB 4.06Å; I852-M855 HydrophobicContact CG1-CG 3.81Å; I852-M855 HydrophobicContact CG1-SD 3.93Å; I852-M855 PolarHBondContact O-N 3.46Å; D853-M855 VanDerWaalsContact C-N 3.29Å; D853-M855 PolarHBondContact O-N 3.23Å
856	D	93.6	Very high	92.2	Very high	10 Å²	10	56.7 Å²	56.7	5%	0.053	31%	0.309	C	S	.	.			trans	-90.8	105.7	177.3	-164.8	-35	0	0	0	111	K845 P851 I852 E858 R859 A860	K845-D856 VanDerWaalsContact NZ-CG 3.34Å; K845-D856 IonicContact NZ-OD1 3.71Å; K845-D856 PolarHBondContact NZ-OD1 3.32Å; K845-D856 IonicContact NZ-OD2 3.57Å; K845-D856 PolarHBondContact NZ-OD2 2.91Å; P851-D856 HydrophobicContact CB-CB 4.43Å; P851-D856 HydrophobicContact CG-CB 3.91Å; I852-D856 PolarHBondContact O-N 3.39Å; D856-E858 PolarHBondContact O-N 3.31Å; D856-E858 VanDerWaalsContact O-N 3.08Å; D856-E858 PolarHBondContact OD1-N 3.36Å; D856-E858 VanDerWaalsContact OD1-N 3.1Å; D856-R859 HydrophobicContact CB-CB 4.16Å; D856-R859 PolarHBondContact O-N 2.99Å; D856-R859 IonicContact OD2-CZ 2.73Å; D856-R859 IonicContact OD2-NE 3.44Å; D856-R859 PolarHBondContact OD2-NE 2.87Å; D856-R859 IonicContact OD2-NH2 3.6Å; D856-R859 PolarHBondContact OD2-NH2 3.1Å; D856-A860 VanDerWaalsContact O-CB 3.3Å; D856-A860 WeakPolarHBondContact O-CB 3.33Å; D856-A860 PolarHBondContact O-N 2.79Å
857	R	92.6	Very high	92.4	Very high	71 Å²	71	52.8 Å²	52.8	27%	0.268	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-22.9	-178	65.7	175.9	60.4	-115	2.6	114	F838 D842 G918	F838-R857 HydrophobicContact CB-CB 3.98Å; F838-R857 HydrophobicContact CD1-CB 3.8Å; F838-R857 HydrophobicContact CD2-CB 3.89Å; F838-R857 HydrophobicContact CE1-CB 4.27Å; F838-R857 HydrophobicContact CE2-CB 4.35Å; F838-R857 HydrophobicContact CG-CB 3.61Å; D842-R857 IonicContact OD1-CZ 3.23Å; D842-R857 IonicContact OD1-NE 3.39Å; D842-R857 PolarHBondContact OD1-NE 3.4Å; D842-R857 IonicContact OD1-NH2 3.19Å; D842-R857 IonicContact OD2-CZ 2.76Å; D842-R857 IonicContact OD2-NE 2.66Å; D842-R857 PolarHBondContact OD2-NE 3.47Å; D842-R857 IonicContact OD2-NH2 2.9Å; D842-R857 PolarHBondContact OD2-NH2 3.48Å; R857-G918 WeakPolarHBondContact O-CA 3.43Å
858	E	89.9	Confident	92.8	Very high	113 Å²	113	50.1 Å²	50.1	53%	0.528	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-24.7	177.9	-68.9	80.2	-175.2	0	0	113	K845 D856	K845-E858 IonicContact NZ-OE2 2.98Å; K845-E858 PolarHBondContact NZ-OE2 3.28Å; D856-E858 PolarHBondContact O-N 3.31Å; D856-E858 VanDerWaalsContact O-N 3.08Å; D856-E858 PolarHBondContact OD1-N 3.36Å; D856-E858 VanDerWaalsContact OD1-N 3.1Å
859	R	90.4	Very high	93.2	Very high	119 Å²	119	49.3 Å²	49.3	45%	0.449	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-22.4	-175	-64.4	-175	-72.7	141.7	10.5	114	P851 D853 D856 C861	P851-R859 PolarHBondContact O-NH2 3.09Å; D853-R859 IonicContact OD1-CZ 3.17Å; D853-R859 VanDerWaalsContact OD1-CZ 3.29Å; D853-R859 IonicContact OD1-NH1 2.7Å; D853-R859 PolarHBondContact OD1-NH1 2.96Å; D853-R859 IonicContact OD1-NH2 2.78Å; D856-R859 HydrophobicContact CB-CB 4.16Å; D856-R859 PolarHBondContact O-N 2.99Å; D856-R859 IonicContact OD2-CZ 2.73Å; D856-R859 IonicContact OD2-NE 3.44Å; D856-R859 PolarHBondContact OD2-NE 2.87Å; D856-R859 IonicContact OD2-NH2 3.6Å; D856-R859 PolarHBondContact OD2-NH2 3.1Å; R859-C861 PolarHBondContact O-N 3.46Å
860	A	93.1	Very high	93.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.231	C	C	.	.			trans	-63.7	121.5	-175.6	0	0	0	0	0	112.6	F838 D853 D856 L865 G918	F838-A860 HydrophobicContact CE1-CB 3.63Å; F838-A860 HydrophobicContact CZ-CB 3.83Å; D853-A860 WeakPolarHBondContact O-CA 3.37Å; D853-A860 VanDerWaalsContact O-CB 3.3Å; D853-A860 WeakPolarHBondContact O-CB 3.46Å; D853-A860 PolarHBondContact O-N 3.41Å; D856-A860 VanDerWaalsContact O-CB 3.3Å; D856-A860 WeakPolarHBondContact O-CB 3.33Å; D856-A860 PolarHBondContact O-N 2.79Å; A860-L865 HydrophobicContact CB-CD1 4.02Å; A860-G918 PolarHBondContact O-N 2.71Å
861	C	93.7	Very high	94	Very high	34 Å²	34	40.8 Å²	40.8	23%	0.23	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-95.6	93.3	165.2	-176.3	0	0	0	0	109.2	R859 N864 L865	R859-C861 PolarHBondContact O-N 3.46Å; C861-N864 HydrophobicContact CB-CB 4.13Å; C861-N864 PolarHBondContact O-N 3.02Å; C861-L865 WeakPolarHBondContact O-CG 3.44Å; C861-L865 PolarHBondContact O-N 2.85Å
862	V	94	Very high	94.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-52.9	-47.6	-173.1	165.1	0	0	0	0	113.3	Y834 F838 N864 L865 Q866 W902 I921 F922	Y834-V862 HydrophobicContact CD1-CG2 4.1Å; Y834-V862 HydrophobicContact CD2-CB 4.46Å; Y834-V862 HydrophobicContact CD2-CG1 3.92Å; Y834-V862 HydrophobicContact CD2-CG2 3.86Å; Y834-V862 HydrophobicContact CE1-CG2 4.12Å; Y834-V862 HydrophobicContact CE2-CB 4.13Å; Y834-V862 HydrophobicContact CE2-CG1 3.58Å; Y834-V862 HydrophobicContact CE2-CG2 3.89Å; Y834-V862 HydrophobicContact CG-CG2 3.98Å; F838-V862 HydrophobicContact CZ-CG2 4.45Å; V862-N864 PolarHBondContact O-N 2.71Å; V862-L865 PolarHBondContact O-N 3.03Å; V862-Q866 HydrophobicContact CG1-CG 4.25Å; V862-Q866 WeakPolarHBondContact O-CB 3.35Å; V862-Q866 VanDerWaalsContact O-CG 3.24Å; V862-Q866 WeakPolarHBondContact O-CG 3.4Å; V862-Q866 PolarHBondContact O-N 2.88Å; V862-W902 HydrophobicContact CG1-CH2 4.13Å; V862-W902 HydrophobicContact CG1-CZ3 4.21Å; V862-I921 HydrophobicContact CB-CD1 4.3Å; V862-I921 HydrophobicContact CB-CG2 3.95Å; V862-I921 HydrophobicContact CG1-CD1 4.39Å; V862-I921 HydrophobicContact CG1-CG2 4.07Å; V862-I921 HydrophobicContact CG2-CG2 4.02Å; V862-F922 HydrophobicContact CG1-CE1 4.47Å; V862-F922 HydrophobicContact CG1-CE2 4.27Å; V862-F922 HydrophobicContact CG1-CZ 3.73Å; V862-F922 HydrophobicContact CG2-CE2 4.21Å; V862-F922 HydrophobicContact CG2-CZ 4.48Å
863	P	94.8	Very high	94.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.8	-43.9	-179.1	-24.7	36.8	0	0	0	112.8	L865 Q866 I867 W902 I905 L906 V909 I921	P863-L865 VanDerWaalsContact C-N 3.35Å; P863-L865 PolarHBondContact O-N 3.07Å; P863-Q866 PolarHBondContact O-N 2.95Å; P863-I867 WeakPolarHBondContact O-CD1 3.42Å; P863-I867 VanDerWaalsContact O-CG1 3.26Å; P863-I867 WeakPolarHBondContact O-CG1 3.34Å; P863-I867 PolarHBondContact O-N 3.44Å; P863-W902 HydrophobicContact CB-CE3 3.96Å; P863-W902 HydrophobicContact CB-CZ3 4.45Å; P863-W902 HydrophobicContact CG-CE3 4.26Å; P863-W902 HydrophobicContact CG-CZ3 4.29Å; P863-I905 HydrophobicContact CB-CG2 4.39Å; P863-I905 HydrophobicContact CG-CG2 3.82Å; P863-L906 HydrophobicContact CB-CB 3.87Å; P863-L906 HydrophobicContact CB-CD1 4.21Å; P863-V909 HydrophobicContact CG-CG2 4.4Å; P863-I921 VanDerWaalsContact CD-CD1 3.47Å; P863-I921 HydrophobicContact CG-CD1 3.26Å
864	N	94.7	Very high	94.9	Very high	75 Å²	75	41 Å²	41	40%	0.401	19%	0.194	S	C	.	.	H	α-helix	trans	-63.5	-43.1	179.5	-176.5	53	0	0	0	111.5	C861 V862 I867 S868 L906	C861-N864 HydrophobicContact CB-CB 4.13Å; C861-N864 PolarHBondContact O-N 3.02Å; V862-N864 PolarHBondContact O-N 2.71Å; N864-I867 PolarHBondContact O-N 3.09Å; N864-S868 WeakPolarHBondContact O-CB 3.4Å; N864-S868 PolarHBondContact O-N 2.87Å; N864-S868 PolarHBondContact O-OG 2.7Å; N864-L906 HydrophobicContact CB-CD1 4.27Å; N864-L906 HydrophobicContact CB-CD2 4.46Å
865	L	95.3	Very high	95.3	Very high	43 Å²	43	40.9 Å²	40.9	23%	0.225	19%	0.192	C	C	.	.	H	α-helix	trans	-65.4	-38.8	176.9	-70.6	169.5	0	0	0	111.9	Y834 A860 C861 V862 P863 S868 F869	Y834-L865 HydrophobicContact CE1-CD1 3.94Å; Y834-L865 WeakPolarHBondContact OH-CB 3.29Å; A860-L865 HydrophobicContact CB-CD1 4.02Å; C861-L865 WeakPolarHBondContact O-CG 3.44Å; C861-L865 PolarHBondContact O-N 2.85Å; V862-L865 PolarHBondContact O-N 3.03Å; P863-L865 VanDerWaalsContact C-N 3.35Å; P863-L865 PolarHBondContact O-N 3.07Å; L865-S868 PolarHBondContact O-N 3.14Å; L865-F869 WeakPolarHBondContact O-CB 3.32Å; L865-F869 PolarHBondContact O-N 3.21Å
866	Q	95.9	Very high	95.5	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.028	20%	0.202	C	C	.	.	H	α-helix	trans	-66.4	-44.2	175.4	-72.5	-70.5	-59.8	0	0	112.1	Y834 V862 P863 S868 F869 L870 W902	Y834-Q866 HydrophobicContact CE2-CG 4.07Å; V862-Q866 HydrophobicContact CG1-CG 4.25Å; V862-Q866 WeakPolarHBondContact O-CB 3.35Å; V862-Q866 VanDerWaalsContact O-CG 3.24Å; V862-Q866 WeakPolarHBondContact O-CG 3.4Å; V862-Q866 PolarHBondContact O-N 2.88Å; P863-Q866 PolarHBondContact O-N 2.95Å; Q866-S868 VanDerWaalsContact C-N 3.33Å; Q866-S868 PolarHBondContact O-N 3.21Å; Q866-F869 PolarHBondContact O-N 3.41Å; Q866-L870 WeakPolarHBondContact O-CB 3.42Å; Q866-L870 VanDerWaalsContact O-CG 3.25Å; Q866-L870 WeakPolarHBondContact O-CG 3.35Å; Q866-L870 PolarHBondContact O-N 3.14Å; Q866-W902 HydrophobicContact CB-CD2 3.88Å; Q866-W902 HydrophobicContact CB-CE3 4.49Å; Q866-W902 HydrophobicContact CB-CG 4.03Å; Q866-W902 HydrophobicContact CB-CZ2 4.29Å; Q866-W902 HydrophobicContact CG-CD2 4.29Å; Q866-W902 HydrophobicContact CG-CH2 4.29Å; Q866-W902 HydrophobicContact CG-CZ2 3.83Å
867	I	97.6	Very high	95.7	Very high	15 Å²	15	41.9 Å²	41.9	8%	0.077	20%	0.199	C	C	.	.	H	α-helix	trans	-58.7	-47.3	174.1	-66.9	159.9	0	0	0	110.3	P863 N864 F869 L870 D871 W902 K903 L906	P863-I867 WeakPolarHBondContact O-CD1 3.42Å; P863-I867 VanDerWaalsContact O-CG1 3.26Å; P863-I867 WeakPolarHBondContact O-CG1 3.34Å; P863-I867 PolarHBondContact O-N 3.44Å; N864-I867 PolarHBondContact O-N 3.09Å; I867-F869 PolarHBondContact O-N 2.96Å; I867-L870 PolarHBondContact O-N 3.31Å; I867-D871 WeakPolarHBondContact O-CB 3.41Å; I867-D871 PolarHBondContact O-N 3.04Å; I867-W902 HydrophobicContact CD1-CB 4.23Å; I867-W902 HydrophobicContact CG1-CB 3.69Å; I867-K903 HydrophobicContact CD1-CB 4.48Å; I867-K903 HydrophobicContact CD1-CG 3.84Å; I867-K903 HydrophobicContact CG1-CG 4.34Å; I867-L906 HydrophobicContact CD1-CB 4.2Å; I867-L906 HydrophobicContact CD1-CD2 3.79Å
868	S	97.2	Very high	96	Very high	40 Å²	40	38.6 Å²	38.6	28%	0.28	19%	0.187	S	C	.	.	H	α-helix	trans	-60.9	-44.3	178.9	-58.4	0	0	0	0	111.7	N864 L865 Q866 L870 D871 Y872	N864-S868 WeakPolarHBondContact O-CB 3.4Å; N864-S868 PolarHBondContact O-N 2.87Å; N864-S868 PolarHBondContact O-OG 2.7Å; L865-S868 PolarHBondContact O-N 3.14Å; Q866-S868 VanDerWaalsContact C-N 3.33Å; Q866-S868 PolarHBondContact O-N 3.21Å; S868-L870 VanDerWaalsContact C-N 3.33Å; S868-L870 PolarHBondContact O-N 2.84Å; S868-D871 PolarHBondContact O-N 2.9Å; S868-Y872 WeakPolarHBondContact O-CB 3.5Å; S868-Y872 WeakPolarHBondContact O-CD2 3.35Å; S868-Y872 PolarHBondContact O-N 2.97Å
869	F	97.1	Very high	96.4	Very high	50 Å²	50	38.6 Å²	38.6	22%	0.219	19%	0.185	C	C	.	.	H	α-helix	trans	-62.5	-41.4	176.6	-174.5	-119.1	0	0	0	112	L777 L816 Q819 L865 Q866 I867 I873 I874	L777-F869 HydrophobicContact CD1-CE2 4.33Å; L816-F869 HydrophobicContact CD1-CZ 4.32Å; L816-F869 HydrophobicContact CD2-CZ 4.07Å; Q819-F869 HydrophobicContact CG-CE1 4.13Å; L865-F869 WeakPolarHBondContact O-CB 3.32Å; L865-F869 PolarHBondContact O-N 3.21Å; Q866-F869 PolarHBondContact O-N 3.41Å; I867-F869 PolarHBondContact O-N 2.96Å; F869-I873 HydrophobicContact CD2-CB 3.9Å; F869-I873 HydrophobicContact CD2-CG1 3.76Å; F869-I873 HydrophobicContact CD2-CG2 4.45Å; F869-I873 HydrophobicContact CE2-CB 3.77Å; F869-I873 HydrophobicContact CE2-CG1 3.85Å; F869-I873 HydrophobicContact CE2-CG2 3.81Å; F869-I873 HydrophobicContact CZ-CG2 4.3Å; F869-I873 WeakPolarHBondContact O-CB 3.26Å; F869-I873 PolarHBondContact O-N 3.19Å; F869-I874 HydrophobicContact CD1-CD1 4.21Å; F869-I874 HydrophobicContact CD1-CG1 3.81Å; F869-I874 HydrophobicContact CE1-CD1 3.54Å; F869-I874 HydrophobicContact CE1-CG1 3.69Å; F869-I874 HydrophobicContact CG-CG1 4.48Å; F869-I874 HydrophobicContact CZ-CD1 3.79Å; F869-I874 HydrophobicContact CZ-CG1 4.23Å; F869-I874 PolarHBondContact O-N 2.8Å; F869-I874 VanDerWaalsContact O-N 3.13Å
870	L	98.1	Very high	96.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	I	π-helix	trans	-63.7	-40.3	175.7	-70.5	168	0	0	0	112.2	Q819 Q866 I867 S868 I874 T875 I895 R899	Q819-L870 HydrophobicContact CB-CD2 4.4Å; Q866-L870 WeakPolarHBondContact O-CB 3.42Å; Q866-L870 VanDerWaalsContact O-CG 3.25Å; Q866-L870 WeakPolarHBondContact O-CG 3.35Å; Q866-L870 PolarHBondContact O-N 3.14Å; I867-L870 PolarHBondContact O-N 3.31Å; S868-L870 VanDerWaalsContact C-N 3.33Å; S868-L870 PolarHBondContact O-N 2.84Å; L870-I874 HydrophobicContact CD2-CB 4.07Å; L870-I874 HydrophobicContact CD2-CG1 4.1Å; L870-I874 HydrophobicContact CD2-CG2 4.01Å; L870-T875 WeakPolarHBondContact O-CB 3.31Å; L870-T875 PolarHBondContact O-N 2.87Å; L870-T875 PolarHBondContact O-OG1 3.35Å; L870-I895 HydrophobicContact CD2-CG2 4.22Å; L870-R899 HydrophobicContact CD1-CB 3.93Å; L870-R899 HydrophobicContact CD1-CG 4.37Å
871	D	98.2	Very high	97	Very high	50 Å²	50	33.1 Å²	33.1	27%	0.267	17%	0.165	S	C	.	.	I	π-helix	trans	-74.1	-42.4	-177.5	-80.5	-19.8	0	0	0	113.2	I867 S868 P876 R899	I867-D871 WeakPolarHBondContact O-CB 3.41Å; I867-D871 PolarHBondContact O-N 3.04Å; S868-D871 PolarHBondContact O-N 2.9Å; D871-P876 VanDerWaalsContact O-CD 3.3Å; D871-P876 WeakPolarHBondContact O-CD 3.35Å; D871-R899 VanDerWaalsContact CG-NE 3.29Å; D871-R899 VanDerWaalsContact OD1-CD 3.29Å; D871-R899 WeakPolarHBondContact OD1-CD 3.34Å; D871-R899 IonicContact OD1-CZ 3.21Å; D871-R899 IonicContact OD1-NE 3.87Å; D871-R899 PolarHBondContact OD1-NE 3.44Å; D871-R899 IonicContact OD1-NH2 2.72Å; D871-R899 PolarHBondContact OD1-NH2 3.19Å; D871-R899 IonicContact OD2-CZ 3.11Å; D871-R899 IonicContact OD2-NE 3.14Å; D871-R899 PolarHBondContact OD2-NE 2.65Å; D871-R899 IonicContact OD2-NH2 3.39Å; D871-R899 PolarHBondContact OD2-NH2 3.3Å
872	Y	96.9	Very high	97.2	Very high	176 Å²	176	32.7 Å²	32.7	69%	0.69	16%	0.161	S	C	*	.	I	π-helix	trans	-99.4	-20.7	-169.3	-64.1	-63.9	0	0	0	114.6	S868	S868-Y872 WeakPolarHBondContact O-CB 3.5Å; S868-Y872 WeakPolarHBondContact O-CD2 3.35Å; S868-Y872 PolarHBondContact O-N 2.97Å
873	I	97.7	Very high	97.3	Very high	26 Å²	26	36.7 Å²	36.7	13%	0.133	18%	0.182	C	C	.	.	I	π-helix	trans	-118.4	-58.4	-178.5	-53.1	-63.1	0	0	0	111	L777 L781 L816 F869 P876 L877	L777-I873 HydrophobicContact CD2-CG2 4.22Å; L781-I873 HydrophobicContact CD1-CD1 4.45Å; L781-I873 HydrophobicContact CD2-CD1 3.78Å; L781-I873 HydrophobicContact CG-CD1 4.44Å; L816-I873 HydrophobicContact CD1-CG2 3.83Å; F869-I873 HydrophobicContact CD2-CB 3.9Å; F869-I873 HydrophobicContact CD2-CG1 3.76Å; F869-I873 HydrophobicContact CD2-CG2 4.45Å; F869-I873 HydrophobicContact CE2-CB 3.77Å; F869-I873 HydrophobicContact CE2-CG1 3.85Å; F869-I873 HydrophobicContact CE2-CG2 3.81Å; F869-I873 HydrophobicContact CZ-CG2 4.3Å; F869-I873 WeakPolarHBondContact O-CB 3.26Å; F869-I873 PolarHBondContact O-N 3.19Å; I873-P876 WeakPolarHBondContact O-CD 3.47Å; I873-L877 VanDerWaalsContact O-CB 3.28Å; I873-L877 WeakPolarHBondContact O-CB 3.44Å; I873-L877 PolarHBondContact O-N 2.94Å
874	I	98.3	Very high	97.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.189	C	C	.	.	I	π-helix	trans	-69.8	-52	-170.1	-56.8	-58.8	0	0	0	111.9	L816 Q819 F869 L870 L877 Y878 I895	L816-I874 HydrophobicContact CB-CD1 3.7Å; L816-I874 HydrophobicContact CD1-CD1 3.57Å; L816-I874 HydrophobicContact CG-CD1 4.16Å; Q819-I874 HydrophobicContact CB-CD1 4.12Å; Q819-I874 HydrophobicContact CB-CG1 4.19Å; Q819-I874 HydrophobicContact CB-CG2 4.03Å; Q819-I874 HydrophobicContact CG-CD1 3.82Å; Q819-I874 HydrophobicContact CG-CG1 4.06Å; F869-I874 HydrophobicContact CD1-CD1 4.21Å; F869-I874 HydrophobicContact CD1-CG1 3.81Å; F869-I874 HydrophobicContact CE1-CD1 3.54Å; F869-I874 HydrophobicContact CE1-CG1 3.69Å; F869-I874 HydrophobicContact CG-CG1 4.48Å; F869-I874 HydrophobicContact CZ-CD1 3.79Å; F869-I874 HydrophobicContact CZ-CG1 4.23Å; F869-I874 PolarHBondContact O-N 2.8Å; F869-I874 VanDerWaalsContact O-N 3.13Å; L870-I874 HydrophobicContact CD2-CB 4.07Å; L870-I874 HydrophobicContact CD2-CG1 4.1Å; L870-I874 HydrophobicContact CD2-CG2 4.01Å; I874-L877 PolarHBondContact O-N 3.43Å; I874-Y878 HydrophobicContact CG2-CD2 3.67Å; I874-Y878 HydrophobicContact CG2-CE2 3.85Å; I874-Y878 VanDerWaalsContact O-CD2 3.29Å; I874-Y878 WeakPolarHBondContact O-CD2 3.41Å; I874-Y878 PolarHBondContact O-N 2.7Å; I874-I895 HydrophobicContact CG2-CD1 3.81Å; I874-I895 HydrophobicContact CG2-CG1 4.02Å; I874-I895 HydrophobicContact CG2-CG2 4.11Å
875	T	98.2	Very high	97.4	Very high	25 Å²	25	34.7 Å²	34.7	15%	0.153	17%	0.171	C	C	.	.	H	α-helix	trans	-61.2	-46.6	-177.1	-60.5	0	0	0	0	111.9	L870 L877 K879	L870-T875 WeakPolarHBondContact O-CB 3.31Å; L870-T875 PolarHBondContact O-N 2.87Å; L870-T875 PolarHBondContact O-OG1 3.35Å; T875-L877 PolarHBondContact O-N 3.01Å; T875-K879 HydrophobicContact CG2-CD 3.94Å; T875-K879 HydrophobicContact CG2-CG 4.29Å; T875-K879 VanDerWaalsContact O-CB 3.31Å; T875-K879 WeakPolarHBondContact O-CB 3.36Å; T875-K879 VanDerWaalsContact O-CG 3.24Å; T875-K879 WeakPolarHBondContact O-CG 3.32Å; T875-K879 PolarHBondContact O-N 2.86Å
876	P	98.1	Very high	97.4	Very high	37 Å²	37	36.7 Å²	36.7	24%	0.24	19%	0.186	C	C	.	.	H	α-helix	trans	-58.7	-46.2	174.8	-26.8	37.2	0	0	0	113.1	M784 D871 I873 Y878 K879 V880	M784-P876 HydrophobicContact CE-CB 3.8Å; M784-P876 WeakPolarHBondContact CE-O 3.25Å; D871-P876 VanDerWaalsContact O-CD 3.3Å; D871-P876 WeakPolarHBondContact O-CD 3.35Å; I873-P876 WeakPolarHBondContact O-CD 3.47Å; P876-Y878 PolarHBondContact O-N 2.87Å; P876-K879 PolarHBondContact O-N 3.15Å; P876-V880 PolarHBondContact O-N 3.22Å; P876-V880 VanDerWaalsContact O-N 3.08Å
877	L	98.5	Very high	97.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-56.4	-52.8	178.5	171.5	65.9	0	0	0	112.1	L809 T812 L816 I873 I874 T875 K879 V880 L881	L809-L877 HydrophobicContact CD1-CD1 3.58Å; T812-L877 HydrophobicContact CG2-CD1 4.25Å; T812-L877 HydrophobicContact CG2-CD2 3.95Å; L816-L877 HydrophobicContact CB-CD2 4.37Å; L816-L877 HydrophobicContact CD1-CD2 3.78Å; L816-L877 HydrophobicContact CG-CD2 4.46Å; I873-L877 VanDerWaalsContact O-CB 3.28Å; I873-L877 WeakPolarHBondContact O-CB 3.44Å; I873-L877 PolarHBondContact O-N 2.94Å; I874-L877 PolarHBondContact O-N 3.43Å; T875-L877 PolarHBondContact O-N 3.01Å; L877-K879 VanDerWaalsContact C-N 3.34Å; L877-K879 PolarHBondContact O-N 3.39Å; L877-V880 WeakPolarHBondContact O-CB 3.37Å; L877-V880 PolarHBondContact O-N 2.86Å; L877-L881 PolarHBondContact O-N 3.44Å
878	Y	98.4	Very high	97.1	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-76.1	-21	-177.8	-73.6	-74.9	0	0	0	113.4	F673 S813 S817 T820 I874 P876 L881 N882 I891 I895	F673-Y878 AromaticContact CZ-CE1 3.98Å; F673-Y878 HydrophobicContact CZ-CE1 3.98Å; S813-Y878 PolarHBondContact O-OH 3.01Å; S817-Y878 VanDerWaalsContact CA-OH 3.29Å; S817-Y878 WeakPolarHBondContact CA-OH 3.4Å; S817-Y878 PolarHBondContact N-OH 3.03Å; T820-Y878 HydrophobicContact CG2-CD1 4.33Å; T820-Y878 HydrophobicContact CG2-CD2 4.23Å; T820-Y878 HydrophobicContact CG2-CE1 3.65Å; T820-Y878 HydrophobicContact CG2-CE2 3.51Å; T820-Y878 WeakPolarHBondContact CG2-OH 3.43Å; I874-Y878 HydrophobicContact CG2-CD2 3.67Å; I874-Y878 HydrophobicContact CG2-CE2 3.85Å; I874-Y878 VanDerWaalsContact O-CD2 3.29Å; I874-Y878 WeakPolarHBondContact O-CD2 3.41Å; I874-Y878 PolarHBondContact O-N 2.7Å; P876-Y878 PolarHBondContact O-N 2.87Å; Y878-L881 HydrophobicContact CD1-CD2 3.85Å; Y878-L881 HydrophobicContact CE1-CD2 4.06Å; Y878-N882 WeakPolarHBondContact O-CB 3.26Å; Y878-N882 PolarHBondContact O-N 3.44Å; Y878-I891 HydrophobicContact CD1-CG2 3.61Å; Y878-I891 HydrophobicContact CE1-CG2 3.96Å; Y878-I891 HydrophobicContact CG-CG2 3.95Å; Y878-I895 HydrophobicContact CD2-CD1 3.44Å; Y878-I895 VanDerWaalsContact CD2-CD1 3.44Å; Y878-I895 HydrophobicContact CE2-CD1 4.18Å; Y878-I895 HydrophobicContact CG-CD1 3.68Å
879	K	98.1	Very high	97	Very high	114 Å²	114	41.2 Å²	41.2	50%	0.496	21%	0.209	S	C	.	.	H	α-helix	trans	-64.9	-45.8	168.2	-82.9	177.5	176	176.8	0	111	T875 P876 L877 N882 N883 L892	T875-K879 HydrophobicContact CG2-CD 3.94Å; T875-K879 HydrophobicContact CG2-CG 4.29Å; T875-K879 VanDerWaalsContact O-CB 3.31Å; T875-K879 WeakPolarHBondContact O-CB 3.36Å; T875-K879 VanDerWaalsContact O-CG 3.24Å; T875-K879 WeakPolarHBondContact O-CG 3.32Å; T875-K879 PolarHBondContact O-N 2.86Å; P876-K879 PolarHBondContact O-N 3.15Å; L877-K879 VanDerWaalsContact C-N 3.34Å; L877-K879 PolarHBondContact O-N 3.39Å; K879-N882 PolarHBondContact O-N 3.45Å; K879-N883 WeakPolarHBondContact O-CB 3.46Å; K879-N883 PolarHBondContact O-N 3.35Å; K879-N883 PolarHBondContact O-OD1 3.04Å; K879-L892 HydrophobicContact CG-CD1 4.39Å; K879-L892 HydrophobicContact CG-CD2 4.12Å
880	V	98.4	Very high	96.8	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.024	21%	0.213	C	C	.	.	H	α-helix	trans	-59.2	-47.5	174	166.5	0	0	0	0	110.7	M784 L787 E788 L809 P876 L877 N882 N883 L884	M784-V880 HydrophobicContact CE-CB 4.27Å; M784-V880 HydrophobicContact CE-CG2 3.39Å; L787-V880 HydrophobicContact CB-CG1 4Å; E788-V880 HydrophobicContact CG-CG2 3.84Å; L809-V880 HydrophobicContact CD1-CB 4.45Å; L809-V880 HydrophobicContact CD1-CG1 3.83Å; L809-V880 HydrophobicContact CD2-CG1 3.81Å; L809-V880 HydrophobicContact CG-CG1 4.5Å; P876-V880 PolarHBondContact O-N 3.22Å; P876-V880 VanDerWaalsContact O-N 3.08Å; L877-V880 WeakPolarHBondContact O-CB 3.37Å; L877-V880 PolarHBondContact O-N 2.86Å; V880-N882 PolarHBondContact O-N 3.04Å; V880-N883 PolarHBondContact O-N 3.36Å; V880-L884 PolarHBondContact O-N 3.23Å
881	L	97.8	Very high	96.8	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.2	-45.6	177.2	-172.5	70.5	0	0	0	111.8	L809 L810 L877 Y878 L884 Y885	L809-L881 HydrophobicContact CD2-CD1 4.12Å; L809-L881 HydrophobicContact CG-CD1 4.18Å; L810-L881 HydrophobicContact CD2-CD1 4.23Å; L877-L881 PolarHBondContact O-N 3.44Å; Y878-L881 HydrophobicContact CD1-CD2 3.85Å; Y878-L881 HydrophobicContact CE1-CD2 4.06Å; L881-L884 PolarHBondContact O-N 2.8Å; L881-Y885 HydrophobicContact CD1-CD2 3.75Å; L881-Y885 HydrophobicContact CD1-CE2 4.11Å; L881-Y885 HydrophobicContact CG-CD2 4.35Å; L881-Y885 WeakPolarHBondContact O-CB 3.45Å; L881-Y885 WeakPolarHBondContact O-CD2 3.17Å; L881-Y885 PolarHBondContact O-N 3.16Å
882	N	97.4	Very high	96.7	Very high	25 Å²	25	40.4 Å²	40.4	13%	0.134	21%	0.21	C	C	.	.	H	α-helix	trans	-67.8	-33.9	-179.8	-175.8	72.1	0	0	0	113.3	Y878 K879 V880 L884 Y885 C888 S889 L892	Y878-N882 WeakPolarHBondContact O-CB 3.26Å; Y878-N882 PolarHBondContact O-N 3.44Å; K879-N882 PolarHBondContact O-N 3.45Å; V880-N882 PolarHBondContact O-N 3.04Å; N882-L884 VanDerWaalsContact C-N 3.29Å; N882-L884 PolarHBondContact O-N 3.2Å; N882-Y885 CarbonylContact O-C 3.24Å; N882-Y885 PolarHBondContact O-N 2.92Å; N882-C888 HydrophobicContact CB-CB 4.49Å; N882-S889 WeakPolarHBondContact OD1-CA 3.5Å; N882-S889 PolarHBondContact OD1-N 3.42Å; N882-S889 PolarHBondContact OD1-OG 3.25Å; N882-S889 VanDerWaalsContact OD1-OG 3.14Å; N882-L892 HydrophobicContact CB-CD1 3.61Å; N882-L892 HydrophobicContact CB-CG 4.28Å
883	N	97.1	Very high	96.6	Very high	84 Å²	84	37 Å²	37	45%	0.449	20%	0.204	S	C	.	.	H	α-helix	trans	-63.1	-37.7	175.2	-75.4	-7.5	0	0	0	111.4	K879 V880	K879-N883 WeakPolarHBondContact O-CB 3.46Å; K879-N883 PolarHBondContact O-N 3.35Å; K879-N883 PolarHBondContact O-OD1 3.04Å; V880-N883 PolarHBondContact O-N 3.36Å
884	L	95.3	Very high	96.6	Very high	29 Å²	29	37.3 Å²	37.3	15%	0.152	21%	0.207	C	C	.	.	H	α-helix	trans	-75.1	-36.9	171.7	-70.9	173	0	0	0	112.1	L790 L809 V880 L881 N882	L790-L884 HydrophobicContact CD2-CD1 4.3Å; L790-L884 HydrophobicContact CG-CD1 4.39Å; L809-L884 HydrophobicContact CD2-CD1 3.68Å; V880-L884 PolarHBondContact O-N 3.23Å; L881-L884 PolarHBondContact O-N 2.8Å; N882-L884 VanDerWaalsContact C-N 3.29Å; N882-L884 PolarHBondContact O-N 3.2Å
885	Y	95.6	Very high	96.6	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.016	21%	0.207	C	C	.	.			trans	-134.5	88	-171.2	-54.2	-65.7	0	0	0	112.2	L681 P682 L683 Q687 L806 L881 N882 Q887 C888	L681-Y885 HydrophobicContact CB-CD1 4.27Å; L681-Y885 HydrophobicContact CB-CE1 4.42Å; L681-Y885 HydrophobicContact CD1-CD1 4.37Å; L681-Y885 HydrophobicContact CD1-CD2 3.82Å; L681-Y885 HydrophobicContact CD1-CE2 4.19Å; L681-Y885 HydrophobicContact CD1-CG 3.92Å; L681-Y885 HydrophobicContact CD2-CD1 4.08Å; L681-Y885 HydrophobicContact CD2-CG 3.84Å; L681-Y885 HydrophobicContact CG-CD1 4.47Å; L681-Y885 HydrophobicContact CG-CG 4.33Å; P682-Y885 HydrophobicContact CG-CD1 4.43Å; P682-Y885 HydrophobicContact CG-CE1 4.1Å; L683-Y885 WeakPolarHBondContact CD2-OH 3.14Å; Q687-Y885 PolarHBondContact NE2-OH 3.29Å; Q687-Y885 VanDerWaalsContact OE1-CE1 3.26Å; Q687-Y885 PolarHBondContact OE1-OH 3.43Å; L806-Y885 HydrophobicContact CD1-CE2 4Å; L806-Y885 VanDerWaalsContact CD1-OH 3.31Å; L806-Y885 WeakPolarHBondContact CD1-OH 3.48Å; L881-Y885 HydrophobicContact CD1-CD2 3.75Å; L881-Y885 HydrophobicContact CD1-CE2 4.11Å; L881-Y885 HydrophobicContact CG-CD2 4.35Å; L881-Y885 WeakPolarHBondContact O-CB 3.45Å; L881-Y885 WeakPolarHBondContact O-CD2 3.17Å; L881-Y885 PolarHBondContact O-N 3.16Å; N882-Y885 CarbonylContact O-C 3.24Å; N882-Y885 PolarHBondContact O-N 2.92Å; Y885-Q887 VanDerWaalsContact C-OE1 3.3Å; Y885-Q887 PolarHBondContact O-N 3.44Å; Y885-C888 WeakPolarHBondContact O-CB 3.45Å; Y885-C888 PolarHBondContact O-N 3.05Å
886	P	94.7	Very high	96.5	Very high	84 Å²	84	41.8 Å²	41.8	55%	0.545	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-58	-18.3	179.6	-27.4	36	0	0	0	114.6	C888 S889	P886-C888 PolarHBondContact O-N 3.05Å; P886-C888 VanDerWaalsContact O-N 3.12Å; P886-S889 WeakPolarHBondContact O-CB 3.44Å; P886-S889 PolarHBondContact O-N 3.34Å; P886-S889 PolarHBondContact O-OG 2.77Å
887	Q	93.5	Very high	96.5	Very high	101 Å²	101	46.1 Å²	46.1	47%	0.472	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-56.6	-21.2	171.5	-61.1	86.5	-18.3	0	0	112.8	L681 Y885 S889	L681-Q887 HydrophobicContact CD2-CB 4.08Å; Y885-Q887 VanDerWaalsContact C-OE1 3.3Å; Y885-Q887 PolarHBondContact O-N 3.44Å; Q887-S889 VanDerWaalsContact C-N 3.33Å
888	C	94.2	Very high	96.4	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.014	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-85.6	5.2	177.6	-64.7	0	0	0	0	113.9	N882 Y885 P886 S890 I891	N882-C888 HydrophobicContact CB-CB 4.49Å; Y885-C888 WeakPolarHBondContact O-CB 3.45Å; Y885-C888 PolarHBondContact O-N 3.05Å; P886-C888 PolarHBondContact O-N 3.05Å; P886-C888 VanDerWaalsContact O-N 3.12Å; C888-S890 VanDerWaalsContact C-N 3.26Å; C888-S890 PolarHBondContact O-N 3.47Å; C888-S890 VanDerWaalsContact O-N 3.16Å; C888-I891 HydrophobicContact CB-CD1 3.84Å; C888-I891 HydrophobicContact CB-CG1 4.41Å; C888-I891 WeakPolarHBondContact O-CB 3.43Å; C888-I891 WeakPolarHBondContact O-CG1 3.49Å; C888-I891 PolarHBondContact O-N 3.17Å
889	S	95.1	Very high	96.4	Very high	53 Å²	53	48.7 Å²	48.7	37%	0.371	25%	0.251	S	S	.	.	H	α-helix	trans	-56.6	-37.2	-173.9	-63.9	0	0	0	0	113.3	N882 P886 Q887 I891 L892 D893	N882-S889 WeakPolarHBondContact OD1-CA 3.5Å; N882-S889 PolarHBondContact OD1-N 3.42Å; N882-S889 PolarHBondContact OD1-OG 3.25Å; N882-S889 VanDerWaalsContact OD1-OG 3.14Å; P886-S889 WeakPolarHBondContact O-CB 3.44Å; P886-S889 PolarHBondContact O-N 3.34Å; P886-S889 PolarHBondContact O-OG 2.77Å; Q887-S889 VanDerWaalsContact C-N 3.33Å; S889-I891 PolarHBondContact O-N 2.96Å; S889-L892 PolarHBondContact O-N 2.87Å; S889-L892 VanDerWaalsContact O-N 3.09Å; S889-D893 PolarHBondContact O-N 3.13Å
890	S	94.2	Very high	96.4	Very high	44 Å²	44	46.5 Å²	46.5	31%	0.308	25%	0.245	S	C	.	.	H	α-helix	trans	-63.8	-23.2	177.7	58.5	0	0	0	0	113.9	C888 T894	C888-S890 VanDerWaalsContact C-N 3.26Å; C888-S890 PolarHBondContact O-N 3.47Å; C888-S890 VanDerWaalsContact O-N 3.16Å; S890-T894 PolarHBondContact O-N 2.98Å; S890-T894 VanDerWaalsContact O-N 3.13Å; S890-T894 PolarHBondContact O-OG1 3.44Å
891	I	96.6	Very high	96.3	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.015	25%	0.246	C	C	.	.	H	α-helix	trans	-67.2	-45.8	174.2	-58.4	178.8	0	0	0	109.5	F608 F673 T820 Y878 C888 S889 T894 I895	F608-I891 HydrophobicContact CB-CD1 4.27Å; F608-I891 HydrophobicContact CB-CG1 4.09Å; F608-I891 HydrophobicContact CD1-CD1 3.5Å; F608-I891 VanDerWaalsContact CD1-CD1 3.5Å; F608-I891 HydrophobicContact CD1-CG1 4.25Å; F608-I891 HydrophobicContact CD2-CD1 4.49Å; F608-I891 HydrophobicContact CE1-CD1 3.85Å; F608-I891 HydrophobicContact CG-CD1 3.85Å; F608-I891 HydrophobicContact CG-CG1 4.15Å; F608-I891 HydrophobicContact CZ-CD1 4.49Å; F673-I891 HydrophobicContact CE2-CD1 4.38Å; F673-I891 HydrophobicContact CZ-CD1 4.1Å; T820-I891 VanDerWaalsContact CB-CG2 3.48Å; T820-I891 HydrophobicContact CG2-CG2 3.4Å; T820-I891 VanDerWaalsContact CG2-CG2 3.4Å; Y878-I891 HydrophobicContact CD1-CG2 3.61Å; Y878-I891 HydrophobicContact CE1-CG2 3.96Å; Y878-I891 HydrophobicContact CG-CG2 3.95Å; C888-I891 HydrophobicContact CB-CD1 3.84Å; C888-I891 HydrophobicContact CB-CG1 4.41Å; C888-I891 WeakPolarHBondContact O-CB 3.43Å; C888-I891 WeakPolarHBondContact O-CG1 3.49Å; C888-I891 PolarHBondContact O-N 3.17Å; S889-I891 PolarHBondContact O-N 2.96Å; I891-T894 PolarHBondContact O-N 3.48Å; I891-I895 HydrophobicContact CG2-CD1 3.68Å; I891-I895 HydrophobicContact CG2-CG1 4.43Å; I891-I895 WeakPolarHBondContact O-CD1 3.35Å; I891-I895 VanDerWaalsContact O-CG1 3.29Å; I891-I895 WeakPolarHBondContact O-CG1 3.39Å; I891-I895 PolarHBondContact O-N 3.19Å
892	L	96.5	Very high	96.3	Very high	36 Å²	36	46.8 Å²	46.8	19%	0.188	25%	0.246	C	C	.	.	H	α-helix	trans	-63	-43.2	178.5	-72.7	178.3	0	0	0	111.7	K879 N882 S889 T894 I895 E896	K879-L892 HydrophobicContact CG-CD1 4.39Å; K879-L892 HydrophobicContact CG-CD2 4.12Å; N882-L892 HydrophobicContact CB-CD1 3.61Å; N882-L892 HydrophobicContact CB-CG 4.28Å; S889-L892 PolarHBondContact O-N 2.87Å; S889-L892 VanDerWaalsContact O-N 3.09Å; L892-T894 VanDerWaalsContact C-N 3.25Å; L892-T894 PolarHBondContact O-N 3.12Å; L892-I895 HydrophobicContact CD2-CD1 4.42Å; L892-I895 PolarHBondContact O-N 3.18Å; L892-E896 PolarHBondContact O-N 3.41Å
893	D	95.9	Very high	96.2	Very high	105 Å²	105	49.3 Å²	49.3	56%	0.561	26%	0.256	S	S	*	.	H	α-helix	trans	-58.8	-39.6	175.5	-63.1	-22.2	0	0	0	111.5	S889 K897	S889-D893 PolarHBondContact O-N 3.13Å; D893-K897 WeakPolarHBondContact O-CB 3.43Å; D893-K897 PolarHBondContact O-N 3.14Å
894	T	96.9	Very high	96.2	Very high	32 Å²	32	48.1 Å²	48.1	20%	0.196	25%	0.249	C	C	.	.	H	α-helix	trans	-69.6	-41.8	178.3	-58.4	0	0	0	0	111.8	T820 K821 S890 I891 L892 K897 N898	T820-T894 WeakPolarHBondContact O-CG2 3.15Å; K821-T894 WeakPolarHBondContact O-CG2 3.3Å; S890-T894 PolarHBondContact O-N 2.98Å; S890-T894 VanDerWaalsContact O-N 3.13Å; S890-T894 PolarHBondContact O-OG1 3.44Å; I891-T894 PolarHBondContact O-N 3.48Å; L892-T894 VanDerWaalsContact C-N 3.25Å; L892-T894 PolarHBondContact O-N 3.12Å; T894-K897 PolarHBondContact O-N 3.34Å; T894-N898 WeakPolarHBondContact O-CB 3.39Å; T894-N898 VanDerWaalsContact O-CG 3.28Å; T894-N898 PolarHBondContact O-N 3.38Å; T894-N898 PolarHBondContact O-ND2 3.23Å
895	I	97.8	Very high	96.2	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-60.5	-47.7	175.7	-71.1	160.9	0	0	0	110.3	T820 L870 I874 Y878 I891 L892 K897 N898 R899	T820-I895 HydrophobicContact CG2-CD1 4.36Å; L870-I895 HydrophobicContact CD2-CG2 4.22Å; I874-I895 HydrophobicContact CG2-CD1 3.81Å; I874-I895 HydrophobicContact CG2-CG1 4.02Å; I874-I895 HydrophobicContact CG2-CG2 4.11Å; Y878-I895 HydrophobicContact CD2-CD1 3.44Å; Y878-I895 VanDerWaalsContact CD2-CD1 3.44Å; Y878-I895 HydrophobicContact CE2-CD1 4.18Å; Y878-I895 HydrophobicContact CG-CD1 3.68Å; I891-I895 HydrophobicContact CG2-CD1 3.68Å; I891-I895 HydrophobicContact CG2-CG1 4.43Å; I891-I895 WeakPolarHBondContact O-CD1 3.35Å; I891-I895 VanDerWaalsContact O-CG1 3.29Å; I891-I895 WeakPolarHBondContact O-CG1 3.39Å; I891-I895 PolarHBondContact O-N 3.19Å; L892-I895 HydrophobicContact CD2-CD1 4.42Å; L892-I895 PolarHBondContact O-N 3.18Å; I895-K897 PolarHBondContact O-N 3.49Å; I895-N898 PolarHBondContact O-N 3.5Å; I895-R899 WeakPolarHBondContact O-CB 3.27Å; I895-R899 PolarHBondContact O-N 3.02Å
896	E	97.5	Very high	96.1	Very high	117 Å²	117	47.8 Å²	47.8	55%	0.547	25%	0.247	S	C	.	.	H	α-helix	trans	-61.9	-45.2	179	-174.8	168.6	-157.6	0	0	111.2	L892 N898 R899 D900	L892-E896 PolarHBondContact O-N 3.41Å; E896-N898 PolarHBondContact O-N 3.17Å; E896-R899 WeakPolarHBondContact O-CB 3.26Å; E896-R899 PolarHBondContact O-N 3.17Å; E896-D900 PolarHBondContact O-N 3.04Å
897	K	96.8	Very high	96.1	Very high	128 Å²	128	48.3 Å²	48.3	56%	0.557	24%	0.243	S	C	*	.	H	α-helix	trans	-60.3	-43.8	175.3	-176.2	178.2	-179.4	177.9	0	112.7	D893 T894 I895 R899 D900 N901	D893-K897 WeakPolarHBondContact O-CB 3.43Å; D893-K897 PolarHBondContact O-N 3.14Å; T894-K897 PolarHBondContact O-N 3.34Å; I895-K897 PolarHBondContact O-N 3.49Å; K897-R899 VanDerWaalsContact C-N 3.32Å; K897-D900 PolarHBondContact O-N 3.14Å; K897-N901 PolarHBondContact O-N 3.11Å; K897-N901 PolarHBondContact O-ND2 3.09Å
898	N	97.4	Very high	96.1	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.011	23%	0.226	C	C	.	.	H	α-helix	trans	-65.8	-37.6	177.6	-75.3	-22.4	0	0	0	111.6	K821 W823 T826 T894 I895 E896 N901 W902	K821-N898 PolarHBondContact O-ND2 3.35Å; W823-N898 WeakPolarHBondContact CA-OD1 3.29Å; W823-N898 HydrophobicContact CE3-CB 4.29Å; W823-N898 WeakPolarHBondContact CZ3-O 3.35Å; W823-N898 PolarHBondContact N-OD1 3.31Å; T826-N898 PolarHBondContact OG1-ND2 2.75Å; T894-N898 WeakPolarHBondContact O-CB 3.39Å; T894-N898 VanDerWaalsContact O-CG 3.28Å; T894-N898 PolarHBondContact O-N 3.38Å; T894-N898 PolarHBondContact O-ND2 3.23Å; I895-N898 PolarHBondContact O-N 3.5Å; E896-N898 PolarHBondContact O-N 3.17Å; N898-N901 WeakPolarHBondContact O-CB 3.48Å; N898-N901 PolarHBondContact O-N 3.2Å; N898-W902 VanDerWaalsContact O-CD1 3.26Å; N898-W902 PolarHBondContact O-N 3.15Å
899	R	97.9	Very high	96.1	Very high	53 Å²	53	45.8 Å²	45.8	20%	0.2	23%	0.233	C	C	.	.	H	α-helix	trans	-62.2	-46	174.1	-175.5	-170.5	174	-116	12.9	111.9	L870 D871 I895 E896 K897 N901 W902 K903	L870-R899 HydrophobicContact CD1-CB 3.93Å; L870-R899 HydrophobicContact CD1-CG 4.37Å; D871-R899 VanDerWaalsContact CG-NE 3.29Å; D871-R899 VanDerWaalsContact OD1-CD 3.29Å; D871-R899 WeakPolarHBondContact OD1-CD 3.34Å; D871-R899 IonicContact OD1-CZ 3.21Å; D871-R899 IonicContact OD1-NE 3.87Å; D871-R899 PolarHBondContact OD1-NE 3.44Å; D871-R899 IonicContact OD1-NH2 2.72Å; D871-R899 PolarHBondContact OD1-NH2 3.19Å; D871-R899 IonicContact OD2-CZ 3.11Å; D871-R899 IonicContact OD2-NE 3.14Å; D871-R899 PolarHBondContact OD2-NE 2.65Å; D871-R899 IonicContact OD2-NH2 3.39Å; D871-R899 PolarHBondContact OD2-NH2 3.3Å; I895-R899 WeakPolarHBondContact O-CB 3.27Å; I895-R899 PolarHBondContact O-N 3.02Å; E896-R899 WeakPolarHBondContact O-CB 3.26Å; E896-R899 PolarHBondContact O-N 3.17Å; K897-R899 VanDerWaalsContact C-N 3.32Å; R899-N901 VanDerWaalsContact C-N 3.31Å; R899-N901 PolarHBondContact O-N 2.9Å; R899-W902 WeakPolarHBondContact O-CB 3.4Å; R899-W902 PolarHBondContact O-N 2.57Å; R899-W902 VanDerWaalsContact O-N 3.16Å; R899-K903 VanDerWaalsContact CZ-CE 3.47Å; R899-K903 PolarHBondContact O-N 2.95Å
900	D	97.6	Very high	95.9	Very high	69 Å²	69	50.2 Å²	50.2	37%	0.369	25%	0.247	S	C	.	.	H	α-helix	trans	-64.9	-37.5	177.7	-74.5	-15.1	0	0	0	111.9	E896 K897 W902 K903 I904	E896-D900 PolarHBondContact O-N 3.04Å; K897-D900 PolarHBondContact O-N 3.14Å; D900-W902 VanDerWaalsContact C-N 3.34Å; D900-W902 PolarHBondContact O-N 3.14Å; D900-K903 WeakPolarHBondContact O-CB 3.33Å; D900-K903 PolarHBondContact O-N 3.24Å; D900-I904 WeakPolarHBondContact O-CG1 3.41Å; D900-I904 PolarHBondContact O-N 3.17Å
901	N	97	Very high	95.8	Very high	9 Å²	9	54 Å²	54	5%	0.048	26%	0.258	C	S	.	.	H	α-helix	trans	-59.1	-45	171.1	-72	-25.8	0	0	0	111.5	W823 K897 N898 R899 K903 I904 I905 L930	W823-N901 HydrophobicContact CD2-CB 3.8Å; W823-N901 HydrophobicContact CE3-CB 3.51Å; W823-N901 HydrophobicContact CH2-CB 3.63Å; W823-N901 HydrophobicContact CZ2-CB 3.93Å; W823-N901 HydrophobicContact CZ3-CB 3.42Å; W823-N901 VanDerWaalsContact CZ3-CB 3.42Å; K897-N901 PolarHBondContact O-N 3.11Å; K897-N901 PolarHBondContact O-ND2 3.09Å; N898-N901 WeakPolarHBondContact O-CB 3.48Å; N898-N901 PolarHBondContact O-N 3.2Å; R899-N901 VanDerWaalsContact C-N 3.31Å; R899-N901 PolarHBondContact O-N 2.9Å; N901-K903 VanDerWaalsContact C-N 3.32Å; N901-K903 PolarHBondContact O-N 3.43Å; N901-I904 PolarHBondContact O-N 3.3Å; N901-I905 WeakPolarHBondContact O-CG1 3.44Å; N901-I905 PolarHBondContact O-N 3.41Å; N901-L930 HydrophobicContact CB-CD1 3.71Å
902	W	96.8	Very high	95.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.5	-36.1	175.5	-80	121.8	0	0	0	113.2	W823 A830 V862 P863 Q866 I867 N898 R899 D900 I905 L906 I921 L926	W823-W902 AromaticContact CH2-CD2 3.53Å; W823-W902 HydrophobicContact CH2-CD2 3.53Å; W823-W902 AromaticContact CH2-CE2 3.65Å; W823-W902 AromaticContact CH2-CE3 3.92Å; W823-W902 HydrophobicContact CH2-CE3 3.92Å; W823-W902 AromaticContact CH2-CG 3.81Å; W823-W902 HydrophobicContact CH2-CG 3.81Å; W823-W902 HydrophobicContact CH2-CH2 4.45Å; W823-W902 HydrophobicContact CH2-CZ2 4.12Å; W823-W902 HydrophobicContact CH2-CZ3 4.36Å; W823-W902 AromaticContact CH2-NE1 3.98Å; W823-W902 AromaticContact CZ3-CD1 3.65Å; W823-W902 AromaticContact CZ3-CD2 3.93Å; W823-W902 HydrophobicContact CZ3-CD2 3.93Å; W823-W902 AromaticContact CZ3-CE2 3.75Å; W823-W902 AromaticContact CZ3-CG 3.86Å; W823-W902 HydrophobicContact CZ3-CG 3.86Å; W823-W902 HydrophobicContact CZ3-CZ2 4.4Å; W823-W902 AromaticContact CZ3-NE1 3.59Å; A830-W902 HydrophobicContact CB-CH2 4.27Å; A830-W902 HydrophobicContact CB-CZ2 3.9Å; V862-W902 HydrophobicContact CG1-CH2 4.13Å; V862-W902 HydrophobicContact CG1-CZ3 4.21Å; P863-W902 HydrophobicContact CB-CE3 3.96Å; P863-W902 HydrophobicContact CB-CZ3 4.45Å; P863-W902 HydrophobicContact CG-CE3 4.26Å; P863-W902 HydrophobicContact CG-CZ3 4.29Å; Q866-W902 HydrophobicContact CB-CD2 3.88Å; Q866-W902 HydrophobicContact CB-CE3 4.49Å; Q866-W902 HydrophobicContact CB-CG 4.03Å; Q866-W902 HydrophobicContact CB-CZ2 4.29Å; Q866-W902 HydrophobicContact CG-CD2 4.29Å; Q866-W902 HydrophobicContact CG-CH2 4.29Å; Q866-W902 HydrophobicContact CG-CZ2 3.83Å; I867-W902 HydrophobicContact CD1-CB 4.23Å; I867-W902 HydrophobicContact CG1-CB 3.69Å; N898-W902 VanDerWaalsContact O-CD1 3.26Å; N898-W902 PolarHBondContact O-N 3.15Å; R899-W902 WeakPolarHBondContact O-CB 3.4Å; R899-W902 PolarHBondContact O-N 2.57Å; R899-W902 VanDerWaalsContact O-N 3.16Å; D900-W902 VanDerWaalsContact C-N 3.34Å; D900-W902 PolarHBondContact O-N 3.14Å; W902-I905 HydrophobicContact CE3-CB 4.3Å; W902-I905 HydrophobicContact CE3-CG2 4.38Å; W902-I905 HydrophobicContact CZ3-CG2 4.38Å; W902-I905 PolarHBondContact O-N 2.96Å; W902-L906 PolarHBondContact O-N 2.84Å; W902-I921 HydrophobicContact CZ3-CD1 4.44Å; W902-L926 HydrophobicContact CH2-CD1 4.17Å; W902-L926 HydrophobicContact CZ3-CD1 4.05Å
903	K	96.8	Very high	95.1	Very high	78 Å²	78	63.3 Å²	63.3	34%	0.339	31%	0.312	S	S	.	.	H	α-helix	trans	-61.9	-44.2	173.4	-74.6	178.9	170.1	-179	0	112.3	I867 R899 D900 N901 I905 L906 E907	I867-K903 HydrophobicContact CD1-CB 4.48Å; I867-K903 HydrophobicContact CD1-CG 3.84Å; I867-K903 HydrophobicContact CG1-CG 4.34Å; R899-K903 VanDerWaalsContact CZ-CE 3.47Å; R899-K903 PolarHBondContact O-N 2.95Å; D900-K903 WeakPolarHBondContact O-CB 3.33Å; D900-K903 PolarHBondContact O-N 3.24Å; N901-K903 VanDerWaalsContact C-N 3.32Å; N901-K903 PolarHBondContact O-N 3.43Å; K903-I905 VanDerWaalsContact C-N 3.29Å; K903-I905 PolarHBondContact O-N 2.88Å; K903-L906 WeakPolarHBondContact O-CB 3.11Å; K903-L906 PolarHBondContact O-N 3.49Å; K903-E907 PolarHBondContact O-N 3.37Å
904	I	95.4	Very high	94.8	Very high	60 Å²	60	58.8 Å²	58.8	31%	0.308	29%	0.288	S	S	.	.	H	α-helix	trans	-60	-43.3	175.3	-65	165.2	0	0	0	110	D900 N901 E907 L908 L930 L933	D900-I904 WeakPolarHBondContact O-CG1 3.41Å; D900-I904 PolarHBondContact O-N 3.17Å; N901-I904 PolarHBondContact O-N 3.3Å; I904-E907 PolarHBondContact O-N 3.29Å; I904-L908 HydrophobicContact CG2-CD1 4.38Å; I904-L908 WeakPolarHBondContact O-CG 3.47Å; I904-L908 PolarHBondContact O-N 2.65Å; I904-L908 VanDerWaalsContact O-N 3.15Å; I904-L930 HydrophobicContact CB-CD2 3.95Å; I904-L930 HydrophobicContact CD1-CD2 3.86Å; I904-L930 HydrophobicContact CG2-CD2 3.69Å; I904-L933 HydrophobicContact CG2-CD1 3.74Å
905	I	95.1	Very high	94.1	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.9	-42.5	175.9	-62.2	-52.5	0	0	0	111.4	W823 P863 N901 W902 K903 E907 L908 V909 I921 L926 I929 L930	W823-I905 HydrophobicContact CH2-CG1 4.38Å; W823-I905 HydrophobicContact CZ2-CG1 4.06Å; P863-I905 HydrophobicContact CB-CG2 4.39Å; P863-I905 HydrophobicContact CG-CG2 3.82Å; N901-I905 WeakPolarHBondContact O-CG1 3.44Å; N901-I905 PolarHBondContact O-N 3.41Å; W902-I905 HydrophobicContact CE3-CB 4.3Å; W902-I905 HydrophobicContact CE3-CG2 4.38Å; W902-I905 HydrophobicContact CZ3-CG2 4.38Å; W902-I905 PolarHBondContact O-N 2.96Å; K903-I905 VanDerWaalsContact C-N 3.29Å; K903-I905 PolarHBondContact O-N 2.88Å; I905-E907 PolarHBondContact O-N 3.45Å; I905-L908 HydrophobicContact CD1-CD1 4.33Å; I905-L908 PolarHBondContact O-N 2.68Å; I905-V909 WeakPolarHBondContact O-CG2 3.32Å; I905-V909 PolarHBondContact O-N 3.4Å; I905-I921 HydrophobicContact CG2-CD1 3.95Å; I905-L926 HydrophobicContact CD1-CB 4.4Å; I905-L926 HydrophobicContact CD1-CD2 4.24Å; I905-L926 HydrophobicContact CG2-CD2 4.3Å; I905-I929 HydrophobicContact CD1-CG2 4.4Å; I905-L930 HydrophobicContact CD1-CD1 3.99Å; I905-L930 HydrophobicContact CD1-CG 4.03Å; I905-L930 HydrophobicContact CG1-CD1 4.16Å
906	L	94.9	Very high	93	Very high	25 Å²	25	63 Å²	63	13%	0.131	30%	0.304	C	S	.	.	H	α-helix	trans	-59.7	-45.6	176.5	-178.8	60.2	0	0	0	111.5	P863 N864 I867 W902 K903 L908 V909 E910	P863-L906 HydrophobicContact CB-CB 3.87Å; P863-L906 HydrophobicContact CB-CD1 4.21Å; N864-L906 HydrophobicContact CB-CD1 4.27Å; N864-L906 HydrophobicContact CB-CD2 4.46Å; I867-L906 HydrophobicContact CD1-CB 4.2Å; I867-L906 HydrophobicContact CD1-CD2 3.79Å; W902-L906 PolarHBondContact O-N 2.84Å; K903-L906 WeakPolarHBondContact O-CB 3.11Å; K903-L906 PolarHBondContact O-N 3.49Å; L906-L908 VanDerWaalsContact C-N 3.28Å; L906-L908 PolarHBondContact O-N 2.9Å; L906-V909 WeakPolarHBondContact O-CB 3.34Å; L906-V909 PolarHBondContact O-N 3.46Å; L906-V909 VanDerWaalsContact O-N 3.09Å; L906-E910 HydrophobicContact CD1-CG 4.37Å; L906-E910 HydrophobicContact CG-CG 4.49Å; L906-E910 WeakPolarHBondContact O-CG 3.38Å; L906-E910 PolarHBondContact O-N 3.01Å
907	E	94.8	Very high	92.1	Very high	96 Å²	96	61.7 Å²	61.7	45%	0.449	30%	0.301	S	S	.	.	H	α-helix	trans	-60	-37.4	176.5	-74	-172.3	-155.4	0	0	112.8	K903 I904 I905 V909 K911	K903-E907 PolarHBondContact O-N 3.37Å; I904-E907 PolarHBondContact O-N 3.29Å; I905-E907 PolarHBondContact O-N 3.45Å; E907-V909 VanDerWaalsContact C-N 3.32Å; E907-K911 WeakPolarHBondContact O-CB 3.28Å; E907-K911 WeakPolarHBondContact O-CD 3.03Å; E907-K911 VanDerWaalsContact O-CG 3.24Å; E907-K911 WeakPolarHBondContact O-CG 3.35Å; E907-K911 PolarHBondContact O-N 3.31Å; E907-K911 IonicContact OE2-NZ 2.68Å; E907-K911 PolarHBondContact OE2-NZ 3.03Å
908	L	93.9	Very high	91.3	Very high	25 Å²	25	55.6 Å²	55.6	13%	0.131	27%	0.274	C	S	.	.	H	α-helix	trans	-69.2	-33.8	177.2	-66.5	171	0	0	0	111.8	I904 I905 L906 G912 Y913 I914 I929 L933	I904-L908 HydrophobicContact CG2-CD1 4.38Å; I904-L908 WeakPolarHBondContact O-CG 3.47Å; I904-L908 PolarHBondContact O-N 2.65Å; I904-L908 VanDerWaalsContact O-N 3.15Å; I905-L908 HydrophobicContact CD1-CD1 4.33Å; I905-L908 PolarHBondContact O-N 2.68Å; L906-L908 VanDerWaalsContact C-N 3.28Å; L906-L908 PolarHBondContact O-N 2.9Å; L908-G912 PolarHBondContact O-N 3.13Å; L908-Y913 HydrophobicContact CD2-CD2 3.92Å; L908-Y913 PolarHBondContact O-N 3.49Å; L908-I914 HydrophobicContact CB-CD1 3.63Å; L908-I914 HydrophobicContact CB-CG1 3.99Å; L908-I914 HydrophobicContact CD1-CD1 3.59Å; L908-I914 HydrophobicContact CG-CD1 4.25Å; L908-I914 PolarHBondContact O-N 3.38Å; L908-I929 HydrophobicContact CD1-CG2 3.7Å; L908-L933 HydrophobicContact CD1-CD1 3.82Å
909	V	92.4	Very high	90.6	Very high	24 Å²	24	58.1 Å²	58.1	15%	0.145	29%	0.292	C	S	.	.	H	α-helix	trans	-66.5	-48.9	172.9	167.1	0	0	0	0	110.5	P863 I905 L906 E907 K911 G912 I914	P863-V909 HydrophobicContact CG-CG2 4.4Å; I905-V909 WeakPolarHBondContact O-CG2 3.32Å; I905-V909 PolarHBondContact O-N 3.4Å; L906-V909 WeakPolarHBondContact O-CB 3.34Å; L906-V909 PolarHBondContact O-N 3.46Å; L906-V909 VanDerWaalsContact O-N 3.09Å; E907-V909 VanDerWaalsContact C-N 3.32Å; V909-K911 VanDerWaalsContact C-N 3.3Å; V909-K911 PolarHBondContact O-N 3.42Å; V909-G912 WeakPolarHBondContact O-CA 3.45Å; V909-G912 PolarHBondContact O-N 3.13Å; V909-I914 WeakPolarHBondContact CA-O 3.35Å; V909-I914 HydrophobicContact CG2-CB 4.23Å; V909-I914 HydrophobicContact CG2-CG2 4.35Å
910	E	92.4	Very high	90.1	Very high	146 Å²	146	59.1 Å²	59.1	68%	0.682	30%	0.299	S	S	*	.	H	α-helix	trans	-62.8	-35.4	179.7	-70.7	176.8	164.4	0	0	112.7	L906 G912	L906-E910 HydrophobicContact CD1-CG 4.37Å; L906-E910 HydrophobicContact CG-CG 4.49Å; L906-E910 WeakPolarHBondContact O-CG 3.38Å; L906-E910 PolarHBondContact O-N 3.01Å; E910-G912 PolarHBondContact O-N 3.37Å
911	K	92.4	Very high	89.7	Confident	123 Å²	123	55.9 Å²	55.9	54%	0.535	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-4	174	-68	168.2	-171.5	156.8	0	113.3	E907 V909 Y913	E907-K911 WeakPolarHBondContact O-CB 3.28Å; E907-K911 WeakPolarHBondContact O-CD 3.03Å; E907-K911 VanDerWaalsContact O-CG 3.24Å; E907-K911 WeakPolarHBondContact O-CG 3.35Å; E907-K911 PolarHBondContact O-N 3.31Å; E907-K911 IonicContact OE2-NZ 2.68Å; E907-K911 PolarHBondContact OE2-NZ 3.03Å; V909-K911 VanDerWaalsContact C-N 3.3Å; V909-K911 PolarHBondContact O-N 3.42Å; K911-Y913 VanDerWaalsContact C-N 3.35Å; K911-Y913 HydrophobicContact CB-CD2 3.54Å; K911-Y913 HydrophobicContact CB-CE2 3.53Å; K911-Y913 HydrophobicContact CD-CD2 4.37Å; K911-Y913 HydrophobicContact CD-CE2 3.93Å; K911-Y913 HydrophobicContact CG-CE2 4.29Å; K911-Y913 PolarHBondContact O-N 3.15Å
912	G	88.9	Confident	89.4	Confident	63 Å²	63	56.8 Å²	56.8	65%	0.649	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	14.4	178	0	0	0	0	0	115.2	L908 V909 E910	L908-G912 PolarHBondContact O-N 3.13Å; V909-G912 WeakPolarHBondContact O-CA 3.45Å; V909-G912 PolarHBondContact O-N 3.13Å; E910-G912 PolarHBondContact O-N 3.37Å
913	Y	89	Confident	89.1	Confident	172 Å²	172	63.2 Å²	63.2	68%	0.675	32%	0.319	S	S	*	.	S	Bend	trans	-77.3	-24.8	176.9	-65.2	-60.1	0	0	0	113	L908 K911	L908-Y913 HydrophobicContact CD2-CD2 3.92Å; L908-Y913 PolarHBondContact O-N 3.49Å; K911-Y913 VanDerWaalsContact C-N 3.35Å; K911-Y913 HydrophobicContact CB-CD2 3.54Å; K911-Y913 HydrophobicContact CB-CE2 3.53Å; K911-Y913 HydrophobicContact CD-CD2 4.37Å; K911-Y913 HydrophobicContact CD-CE2 3.93Å; K911-Y913 HydrophobicContact CG-CE2 4.29Å; K911-Y913 PolarHBondContact O-N 3.15Å
914	I	88.5	Confident	88.7	Confident	11 Å²	11	62.3 Å²	62.3	6%	0.056	32%	0.316	C	S	.	.	S	Bend	trans	-133.9	141.6	-178.4	-57.2	178.1	0	0	0	107.5	L908 V909 G916 H924 I929	L908-I914 HydrophobicContact CB-CD1 3.63Å; L908-I914 HydrophobicContact CB-CG1 3.99Å; L908-I914 HydrophobicContact CD1-CD1 3.59Å; L908-I914 HydrophobicContact CG-CD1 4.25Å; L908-I914 PolarHBondContact O-N 3.38Å; V909-I914 WeakPolarHBondContact CA-O 3.35Å; V909-I914 HydrophobicContact CG2-CB 4.23Å; V909-I914 HydrophobicContact CG2-CG2 4.35Å; I914-G916 PolarHBondContact O-N 3.19Å; I914-H924 HydrophobicContact CG2-CB 4.08Å; I914-H924 VanDerWaalsContact CG2-CD2 3.41Å; I914-H924 WeakPolarHBondContact CG2-CD2 3.35Å; I914-I929 HydrophobicContact CD1-CD1 3.7Å; I914-I929 HydrophobicContact CD1-CG2 4.09Å; I914-I929 HydrophobicContact CG1-CD1 4.34Å
915	K	82.4	Confident	88.5	Confident	118 Å²	118	63.7 Å²	63.7	51%	0.513	32%	0.324	S	S	.	.			trans	-77.7	123.6	170.4	-59.9	-161.3	-166.8	-178.1	0	109.6	E920 I921 H924	K915-E920 HydrophobicContact CB-CB 4.17Å; K915-E920 WeakPolarHBondContact CD-OE2 3.46Å; K915-E920 IonicContact NZ-OE1 2.88Å; K915-E920 PolarHBondContact NZ-OE1 3.11Å; K915-E920 IonicContact NZ-OE2 3.6Å; K915-I921 VanDerWaalsContact O-CA 3.3Å; K915-I921 WeakPolarHBondContact O-CA 3.35Å; K915-H924 PolarHBondContact N-NE2 2.87Å
916	G	75.9	Confident	88.4	Confident	4 Å²	4	63.8 Å²	63.8	4%	0.041	33%	0.325	C	S	.	.			trans	-100.7	-6.8	-175.5	0	0	0	0	0	116.2	I914	I914-G916 PolarHBondContact O-N 3.19Å
917	N	76.9	Confident	88.2	Confident	90 Å²	90	64.9 Å²	64.9	48%	0.481	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-85.7	128.7	-170.5	-66.4	7.8	0	0	0	111.1	S919 E920	N917-S919 PolarHBondContact O-N 3.43Å; N917-E920 WeakPolarHBondContact O-CB 3.14Å; N917-E920 PolarHBondContact O-N 3.04Å
918	G	81.5	Confident	88	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	56.3	-135.8	171.9	0	0	0	0	0	113.8	R857 A860 E920 I921	R857-G918 WeakPolarHBondContact O-CA 3.43Å; A860-G918 PolarHBondContact O-N 2.71Å; G918-E920 VanDerWaalsContact C-N 3.29Å; G918-E920 PolarHBondContact O-N 2.92Å; G918-I921 WeakPolarHBondContact O-CG2 3.35Å
919	S	82.9	Confident	87.9	Confident	54 Å²	54	65.2 Å²	65.2	38%	0.378	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-75.4	-13.7	-178.9	54.6	0	0	0	0	114	N917 I921 F922	N917-S919 PolarHBondContact O-N 3.43Å; S919-I921 PolarHBondContact O-N 3.47Å; S919-F922 PolarHBondContact O-N 2.79Å
920	E	86.5	Confident	87.7	Confident	75 Å²	75	64.3 Å²	64.3	35%	0.35	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-63.4	-29.1	-177.9	-68.3	-166.6	127.1	0	0	112.3	K915 N917 G918 F922 N923 H924	K915-E920 HydrophobicContact CB-CB 4.17Å; K915-E920 WeakPolarHBondContact CD-OE2 3.46Å; K915-E920 IonicContact NZ-OE1 2.88Å; K915-E920 PolarHBondContact NZ-OE1 3.11Å; K915-E920 IonicContact NZ-OE2 3.6Å; N917-E920 WeakPolarHBondContact O-CB 3.14Å; N917-E920 PolarHBondContact O-N 3.04Å; G918-E920 VanDerWaalsContact C-N 3.29Å; G918-E920 PolarHBondContact O-N 2.92Å; E920-F922 PolarHBondContact O-N 2.85Å; E920-N923 VanDerWaalsContact O-CB 3.28Å; E920-N923 WeakPolarHBondContact O-CB 3.4Å; E920-N923 PolarHBondContact O-N 3.46Å; E920-H924 PolarHBondContact O-CD2 3.27Å
921	I	90.5	Very high	87.5	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-59	-34.9	178.3	-164.5	170.1	0	0	0	112.4	V862 P863 W902 I905 K915 G918 S919 N923 H924 L926	V862-I921 HydrophobicContact CB-CD1 4.3Å; V862-I921 HydrophobicContact CB-CG2 3.95Å; V862-I921 HydrophobicContact CG1-CD1 4.39Å; V862-I921 HydrophobicContact CG1-CG2 4.07Å; V862-I921 HydrophobicContact CG2-CG2 4.02Å; P863-I921 VanDerWaalsContact CD-CD1 3.47Å; P863-I921 HydrophobicContact CG-CD1 3.26Å; W902-I921 HydrophobicContact CZ3-CD1 4.44Å; I905-I921 HydrophobicContact CG2-CD1 3.95Å; K915-I921 VanDerWaalsContact O-CA 3.3Å; K915-I921 WeakPolarHBondContact O-CA 3.35Å; G918-I921 WeakPolarHBondContact O-CG2 3.35Å; S919-I921 PolarHBondContact O-N 3.47Å; I921-N923 PolarHBondContact O-N 3.38Å; I921-H924 WeakPolarHBondContact O-CB 3.41Å; I921-H924 PolarHBondContact O-N 3.42Å; I921-L926 HydrophobicContact CD1-CD1 4.47Å; I921-L926 HydrophobicContact CG1-CD1 4.21Å; I921-L926 HydrophobicContact CG1-CD2 4.21Å
922	F	90.6	Very high	87.2	Confident	29 Å²	29	59 Å²	59	13%	0.127	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-80.9	-2.9	-178.8	-58.5	-66.3	0	0	0	113.1	A830 K831 Y834 V862 S919 E920 H924	A830-F922 HydrophobicContact CB-CE1 4.09Å; A830-F922 HydrophobicContact CB-CZ 4.04Å; K831-F922 HydrophobicContact CB-CB 4.49Å; K831-F922 HydrophobicContact CB-CD1 3.68Å; K831-F922 HydrophobicContact CB-CD2 4.23Å; K831-F922 HydrophobicContact CB-CE1 3.85Å; K831-F922 HydrophobicContact CB-CE2 4.38Å; K831-F922 HydrophobicContact CB-CG 3.88Å; K831-F922 HydrophobicContact CB-CZ 4.19Å; K831-F922 HydrophobicContact CD-CB 4.13Å; K831-F922 HydrophobicContact CD-CG 4.41Å; K831-F922 HydrophobicContact CG-CB 4.03Å; K831-F922 HydrophobicContact CG-CD1 4.15Å; K831-F922 HydrophobicContact CG-CD2 4.11Å; K831-F922 HydrophobicContact CG-CG 3.83Å; Y834-F922 HydrophobicContact CD2-CE2 4.17Å; Y834-F922 AromaticContact CD2-CZ 3.97Å; Y834-F922 HydrophobicContact CD2-CZ 3.97Å; Y834-F922 HydrophobicContact CG-CE2 4.44Å; V862-F922 HydrophobicContact CG1-CE1 4.47Å; V862-F922 HydrophobicContact CG1-CE2 4.27Å; V862-F922 HydrophobicContact CG1-CZ 3.73Å; V862-F922 HydrophobicContact CG2-CE2 4.21Å; V862-F922 HydrophobicContact CG2-CZ 4.48Å; S919-F922 PolarHBondContact O-N 2.79Å; E920-F922 PolarHBondContact O-N 2.85Å; F922-H924 VanDerWaalsContact C-N 3.25Å
923	N	88.9	Confident	87.1	Confident	134 Å²	134	59.1 Å²	59.1	72%	0.717	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-77.5	-16.8	166.8	-62	-25.8	0	0	0	111.6	E920 I921	E920-N923 VanDerWaalsContact O-CB 3.28Å; E920-N923 WeakPolarHBondContact O-CB 3.4Å; E920-N923 PolarHBondContact O-N 3.46Å; I921-N923 PolarHBondContact O-N 3.38Å
924	H	88.5	Confident	86.6	Confident	60 Å²	60	55.5 Å²	55.5	28%	0.278	29%	0.286	S	S	.	.	S	Bend	trans	-90.3	135.9	173.6	-61.1	-88.6	0	0	0	110.1	I914 K915 E920 I921 F922 L926 I929	I914-H924 HydrophobicContact CG2-CB 4.08Å; I914-H924 VanDerWaalsContact CG2-CD2 3.41Å; I914-H924 WeakPolarHBondContact CG2-CD2 3.35Å; K915-H924 PolarHBondContact N-NE2 2.87Å; E920-H924 PolarHBondContact O-CD2 3.27Å; I921-H924 WeakPolarHBondContact O-CB 3.41Å; I921-H924 PolarHBondContact O-N 3.42Å; F922-H924 VanDerWaalsContact C-N 3.25Å; H924-L926 VanDerWaalsContact C-N 3.27Å; H924-L926 HydrophobicContact CB-CD2 3.96Å; H924-L926 PolarHBondContact O-N 3.15Å; H924-I929 HydrophobicContact CB-CD1 3.98Å
925	N	91.3	Very high	85.8	Confident	88 Å²	88	60.3 Å²	60.3	47%	0.471	31%	0.311	S	S	.	.			trans	-74.8	80.5	174.2	-172	-11.4	0	0	0	110.3	V927 E928 I929	N925-V927 PolarHBondContact O-N 3.17Å; N925-E928 HydrophobicContact CB-CB 4.02Å; N925-E928 VanDerWaalsContact CG-CB 3.4Å; N925-E928 VanDerWaalsContact ND2-CB 3.35Å; N925-E928 WeakPolarHBondContact ND2-CB 3.48Å; N925-E928 PolarHBondContact ND2-OE2 3.31Å; N925-E928 PolarHBondContact O-N 2.62Å; N925-E928 VanDerWaalsContact O-N 3.12Å; N925-E928 PolarHBondContact OD1-N 3.09Å; N925-E928 VanDerWaalsContact OD1-N 3.14Å; N925-I929 VanDerWaalsContact O-CG1 3.3Å; N925-I929 WeakPolarHBondContact O-CG1 3.46Å; N925-I929 PolarHBondContact O-N 2.92Å
926	L	92.5	Very high	84.9	Confident	2 Å²	2	62 Å²	62	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-58.8	-30.8	-175.5	-54.6	-174.4	0	0	0	112.7	V827 W902 I905 I921 H924 I929 L930	V827-L926 HydrophobicContact CG1-CB 4.23Å; V827-L926 HydrophobicContact CG1-CD1 4.04Å; V827-L926 HydrophobicContact CG1-CG 4.41Å; V827-L926 HydrophobicContact CG2-CB 4.24Å; V827-L926 HydrophobicContact CG2-CD1 4.35Å; W902-L926 HydrophobicContact CH2-CD1 4.17Å; W902-L926 HydrophobicContact CZ3-CD1 4.05Å; I905-L926 HydrophobicContact CD1-CB 4.4Å; I905-L926 HydrophobicContact CD1-CD2 4.24Å; I905-L926 HydrophobicContact CG2-CD2 4.3Å; I921-L926 HydrophobicContact CD1-CD1 4.47Å; I921-L926 HydrophobicContact CG1-CD1 4.21Å; I921-L926 HydrophobicContact CG1-CD2 4.21Å; H924-L926 VanDerWaalsContact C-N 3.27Å; H924-L926 HydrophobicContact CB-CD2 3.96Å; H924-L926 PolarHBondContact O-N 3.15Å; L926-I929 HydrophobicContact CD2-CD1 4.43Å; L926-L930 PolarHBondContact O-N 3.08Å; L926-L930 VanDerWaalsContact O-N 3.17Å
927	V	91.5	Very high	84.1	Confident	48 Å²	48	66.5 Å²	66.5	29%	0.291	35%	0.35	S	S	.	.	H	α-helix	trans	-66.1	-48.9	176.7	-179.2	0	0	0	0	110.6	N824 N925 L930 A931	N824-V927 HydrophobicContact CB-CG2 4.34Å; N925-V927 PolarHBondContact O-N 3.17Å; V927-L930 PolarHBondContact O-N 3.1Å; V927-A931 PolarHBondContact O-N 2.87Å; V927-A931 VanDerWaalsContact O-N 3.09Å
928	E	91.2	Very high	82.9	Confident	87 Å²	87	67.5 Å²	67.5	41%	0.407	36%	0.359	S	S	.	.	H	α-helix	trans	-67.9	-36.3	178.4	-174.9	-175.8	168.5	0	0	112.4	N925 A931 K932	N925-E928 HydrophobicContact CB-CB 4.02Å; N925-E928 VanDerWaalsContact CG-CB 3.4Å; N925-E928 VanDerWaalsContact ND2-CB 3.35Å; N925-E928 WeakPolarHBondContact ND2-CB 3.48Å; N925-E928 PolarHBondContact ND2-OE2 3.31Å; N925-E928 PolarHBondContact O-N 2.62Å; N925-E928 VanDerWaalsContact O-N 3.12Å; N925-E928 PolarHBondContact OD1-N 3.09Å; N925-E928 VanDerWaalsContact OD1-N 3.14Å; E928-A931 PolarHBondContact O-N 3.22Å; E928-K932 HydrophobicContact CG-CD 4.37Å; E928-K932 WeakPolarHBondContact O-CG 3.5Å; E928-K932 PolarHBondContact O-N 3.14Å; E928-K932 WeakPolarHBondContact OE1-CE 3.29Å; E928-K932 IonicContact OE1-NZ 2.68Å; E928-K932 PolarHBondContact OE1-NZ 3.08Å
929	I	90.2	Very high	81	Confident	42 Å²	42	72.3 Å²	72.3	22%	0.215	39%	0.388	C	S	.	.	H	α-helix	trans	-59.4	-49.2	177	-71.7	170	0	0	0	110.5	I905 L908 I914 H924 N925 L926 K932 L933	I905-I929 HydrophobicContact CD1-CG2 4.4Å; L908-I929 HydrophobicContact CD1-CG2 3.7Å; I914-I929 HydrophobicContact CD1-CD1 3.7Å; I914-I929 HydrophobicContact CD1-CG2 4.09Å; I914-I929 HydrophobicContact CG1-CD1 4.34Å; H924-I929 HydrophobicContact CB-CD1 3.98Å; N925-I929 VanDerWaalsContact O-CG1 3.3Å; N925-I929 WeakPolarHBondContact O-CG1 3.46Å; N925-I929 PolarHBondContact O-N 2.92Å; L926-I929 HydrophobicContact CD2-CD1 4.43Å; I929-K932 PolarHBondContact O-N 3.01Å; I929-L933 HydrophobicContact CG2-CD1 4.32Å; I929-L933 WeakPolarHBondContact O-CG 3.45Å; I929-L933 PolarHBondContact O-N 3.42Å; I929-L933 VanDerWaalsContact O-N 3.14Å
930	L	88.9	Confident	78.7	Confident	4 Å²	4	72.2 Å²	72.2	2%	0.021	40%	0.396	C	S	.	.	H	α-helix	trans	-66.5	-40.3	178.2	-84.3	162.5	0	0	0	112.5	W823 N901 I904 I905 L926 V927 K932 L933 Q934	W823-L930 HydrophobicContact CD2-CD1 4.16Å; W823-L930 HydrophobicContact CH2-CD1 4.23Å; W823-L930 HydrophobicContact CZ2-CD1 3.29Å; N901-L930 HydrophobicContact CB-CD1 3.71Å; I904-L930 HydrophobicContact CB-CD2 3.95Å; I904-L930 HydrophobicContact CD1-CD2 3.86Å; I904-L930 HydrophobicContact CG2-CD2 3.69Å; I905-L930 HydrophobicContact CD1-CD1 3.99Å; I905-L930 HydrophobicContact CD1-CG 4.03Å; I905-L930 HydrophobicContact CG1-CD1 4.16Å; L926-L930 PolarHBondContact O-N 3.08Å; L926-L930 VanDerWaalsContact O-N 3.17Å; V927-L930 PolarHBondContact O-N 3.1Å; L930-K932 VanDerWaalsContact C-N 3.29Å; L930-K932 PolarHBondContact O-N 3.5Å; L930-L933 PolarHBondContact O-N 3.13Å; L930-L933 VanDerWaalsContact O-N 3.17Å; L930-Q934 WeakPolarHBondContact O-CG 3.37Å; L930-Q934 PolarHBondContact O-N 3.3Å
931	A	87.7	Confident	76.4	Confident	44 Å²	44	75 Å²	75	36%	0.364	42%	0.42	S	S	.	.	H	α-helix	trans	-58.2	-41.2	175.6	0	0	0	0	0	112.1	V927 E928 Q934 L935	V927-A931 PolarHBondContact O-N 2.87Å; V927-A931 VanDerWaalsContact O-N 3.09Å; E928-A931 PolarHBondContact O-N 3.22Å; A931-Q934 PolarHBondContact O-N 2.83Å; A931-L935 WeakPolarHBondContact O-CG 3.43Å; A931-L935 PolarHBondContact O-N 2.96Å; A931-L935 VanDerWaalsContact O-N 3.13Å
932	K	87.3	Confident	73.8	Confident	114 Å²	114	82.1 Å²	82.1	50%	0.496	46%	0.457	S	S	.	.	H	α-helix	trans	-67.1	-36.8	176.5	-74.7	175.6	-177	168.3	0	113	E928 I929 L930 K936	E928-K932 HydrophobicContact CG-CD 4.37Å; E928-K932 WeakPolarHBondContact O-CG 3.5Å; E928-K932 PolarHBondContact O-N 3.14Å; E928-K932 WeakPolarHBondContact OE1-CE 3.29Å; E928-K932 IonicContact OE1-NZ 2.68Å; E928-K932 PolarHBondContact OE1-NZ 3.08Å; I929-K932 PolarHBondContact O-N 3.01Å; L930-K932 VanDerWaalsContact C-N 3.29Å; L930-K932 PolarHBondContact O-N 3.5Å; K932-K936 PolarHBondContact O-N 3.13Å
933	L	85.6	Confident	71	Confident	65 Å²	65	86.1 Å²	86.1	34%	0.34	49%	0.489	S	S	.	.	H	α-helix	trans	-68.5	-40.9	177	-71.8	170.9	0	0	0	111.6	I904 L908 I929 L930 L935 K936 S937	I904-L933 HydrophobicContact CG2-CD1 3.74Å; L908-L933 HydrophobicContact CD1-CD1 3.82Å; I929-L933 HydrophobicContact CG2-CD1 4.32Å; I929-L933 WeakPolarHBondContact O-CG 3.45Å; I929-L933 PolarHBondContact O-N 3.42Å; I929-L933 VanDerWaalsContact O-N 3.14Å; L930-L933 PolarHBondContact O-N 3.13Å; L930-L933 VanDerWaalsContact O-N 3.17Å; L933-L935 VanDerWaalsContact C-N 3.34Å; L933-L935 PolarHBondContact O-N 3Å; L933-K936 PolarHBondContact O-N 3.14Å; L933-S937 PolarHBondContact O-N 2.88Å; L933-S937 VanDerWaalsContact O-N 3.13Å; L933-S937 PolarHBondContact O-OG 3.29Å
934	Q	78.7	Confident	68.3	Low	96 Å²	96	86.2 Å²	86.2	45%	0.449	49%	0.494	S	S	.	.	H	α-helix	trans	-64.6	-35.7	176.6	-70.9	174	-9.9	0	0	112.4	L930 A931 S937 T938	L930-Q934 WeakPolarHBondContact O-CG 3.37Å; L930-Q934 PolarHBondContact O-N 3.3Å; A931-Q934 PolarHBondContact O-N 2.83Å; Q934-S937 WeakPolarHBondContact CA-OG 3.37Å; Q934-S937 PolarHBondContact O-N 2.95Å; Q934-S937 PolarHBondContact O-OG 2.88Å; Q934-T938 PolarHBondContact O-N 2.93Å; Q934-T938 PolarHBondContact O-OG1 2.93Å
935	L	71.6	Confident	65.6	Low	112 Å²	112	88.1 Å²	88.1	59%	0.586	51%	0.514	S	S	*	.	H	α-helix	trans	-67.5	-33.6	173.3	-74.2	167.1	0	0	0	113.3	A931 L933 T938 T939	A931-L935 WeakPolarHBondContact O-CG 3.43Å; A931-L935 PolarHBondContact O-N 2.96Å; A931-L935 VanDerWaalsContact O-N 3.13Å; L933-L935 VanDerWaalsContact C-N 3.34Å; L933-L935 PolarHBondContact O-N 3Å; L935-T938 WeakPolarHBondContact CA-OG1 3.15Å; L935-T938 PolarHBondContact O-N 2.99Å; L935-T938 PolarHBondContact O-OG1 2.86Å; L935-T938 VanDerWaalsContact O-OG1 3.08Å; L935-T939 PolarHBondContact O-N 3.33Å; L935-T939 VanDerWaalsContact O-N 3.14Å; L935-T939 PolarHBondContact O-OG1 3.19Å
936	K	64.5	Low	62.8	Low	155 Å²	155	89.1 Å²	89.1	67%	0.674	53%	0.528	S	S	*	.	H	α-helix	trans	-71.1	-32.9	175.2	-74.8	-177.3	179.4	-177.6	0	112.4	K932 L933 T938 T939	K932-K936 PolarHBondContact O-N 3.13Å; L933-K936 PolarHBondContact O-N 3.14Å; K936-T938 VanDerWaalsContact C-N 3.31Å; K936-T939 PolarHBondContact O-OG1 3.46Å
937	S	58.3	Low	59.7	Low	98 Å²	98	95.4 Å²	95.4	69%	0.685	57%	0.566	S	S	*	*	H	α-helix	trans	-70.6	-25.2	173.8	50.3	0	0	0	0	113.7	L933 Q934	L933-S937 PolarHBondContact O-N 2.88Å; L933-S937 VanDerWaalsContact O-N 3.13Å; L933-S937 PolarHBondContact O-OG 3.29Å; Q934-S937 WeakPolarHBondContact CA-OG 3.37Å; Q934-S937 PolarHBondContact O-N 2.95Å; Q934-S937 PolarHBondContact O-OG 2.88Å
938	T	51.8	Low	57.4	Low	110 Å²	110	98.5 Å²	98.5	68%	0.675	59%	0.587	S	S	*	*	H	α-helix	trans	-91.5	-18.5	179.4	50.8	0	0	0	0	113.7	Q934 L935 K936 G940	Q934-T938 PolarHBondContact O-N 2.93Å; Q934-T938 PolarHBondContact O-OG1 2.93Å; L935-T938 WeakPolarHBondContact CA-OG1 3.15Å; L935-T938 PolarHBondContact O-N 2.99Å; L935-T938 PolarHBondContact O-OG1 2.86Å; L935-T938 VanDerWaalsContact O-OG1 3.08Å; K936-T938 VanDerWaalsContact C-N 3.31Å; T938-G940 PolarHBondContact O-N 2.81Å
939	T	41.1	Very low	54.6	Low	101 Å²	101	99.9 Å²	99.9	62%	0.62	61%	0.607	S	S	*	*	S	Bend	trans	-87.3	92.3	170.9	44.1	0	0	0	0	109.5	L935 K936	L935-T939 PolarHBondContact O-N 3.33Å; L935-T939 VanDerWaalsContact O-N 3.14Å; L935-T939 PolarHBondContact O-OG1 3.19Å; K936-T939 PolarHBondContact O-OG1 3.46Å
940	G	35.4	Very low	51.7	Low	53 Å²	53	104.1 Å²	104.1	55%	0.546	63%	0.634	S	S	.	*			trans	-52.7	162.6	179.5	0	0	0	0	0	114.2	T938 I942	T938-G940 PolarHBondContact O-N 2.81Å; G940-I942 PolarHBondContact O-N 2.73Å; G940-I942 VanDerWaalsContact O-N 3.08Å
941	P	38.3	Very low	49	Very low	132 Å²	132	110.6 Å²	110.6	86%	0.857	67%	0.674	S	S	*	*			trans	-62.9	115.2	-164.6	25.8	-33	0	0	0	111	S943	P941-S943 PolarHBondContact O-N 3.15Å; P941-S943 VanDerWaalsContact O-N 3.1Å
942	I	36	Very low	46.3	Very low	151 Å²	151	116.6 Å²	116.6	77%	0.774	69%	0.694	S	S	*	*			trans	-56.3	117.1	164.1	-61.3	172.7	0	0	0	106.2	G940 V944	G940-I942 PolarHBondContact O-N 2.73Å; G940-I942 VanDerWaalsContact O-N 3.08Å; I942-V944 WeakPolarHBondContact O-CG2 3.32Å; I942-V944 PolarHBondContact O-N 3.22Å
943	S	31.1	Very low	44.1	Very low	113 Å²	113	116.6 Å²	116.6	79%	0.79	71%	0.706	S	S	*	*			trans	-55.1	99.4	175.4	53.1	0	0	0	0	110.3	P941 S945	P941-S943 PolarHBondContact O-N 3.15Å; P941-S943 VanDerWaalsContact O-N 3.1Å; S943-S945 PolarHBondContact O-N 3.49Å
944	V	33.9	Very low	41.5	Very low	136 Å²	136	122 Å²	122	82%	0.824	73%	0.734	S	S	*	*			trans	-89.6	103.4	169.2	-167.2	0	0	0	0	107.2	I942	I942-V944 WeakPolarHBondContact O-CG2 3.32Å; I942-V944 PolarHBondContact O-N 3.22Å
945	S	30.6	Very low	39	Very low	100 Å²	100	122.8 Å²	122.8	70%	0.699	75%	0.75	S	S	*	*			trans	-74.1	133.8	172.9	54.5	0	0	0	0	111.2	S943	S943-S945 PolarHBondContact O-N 3.49Å
946	S	32.4	Very low	37.1	Very low	108 Å²	108	123 Å²	123	76%	0.755	76%	0.761	S	S	*	*			trans	66.8	106.1	156.7	53.5	0	0	0	0	119.8
947	T	28.6	Very low	35.2	Very low	134 Å²	134	120.9 Å²	120.9	82%	0.822	77%	0.766	S	S	*	*			trans	-41.5	167	139.3	43.4	0	0	0	0	113.5
948	P	41.9	Very low	33.7	Very low	113 Å²	113	121.9 Å²	121.9	73%	0.734	77%	0.773	S	S	*	*			cis	-145.5	158.6	26.2	39.2	-18.2	0	0	0	117.9
949	S	32.1	Very low	32.7	Very low	116 Å²	116	121.3 Å²	121.3	81%	0.811	77%	0.774	S	S	*	*				-167.4	113.2	126.7	35.5	0	0	0	0	109.6
950	V	30.2	Very low	32.1	Very low	131 Å²	131	122.1 Å²	122.1	79%	0.794	78%	0.783	S	S	*	*			trans	-76.4	120.8	175.4	171.9	0	0	0	0	107.7	Q952	V950-Q952 HydrophobicContact CG1-CG 4.32Å
951	V	32.6	Very low	31.9	Very low	141 Å²	141	127.3 Å²	127.3	86%	0.855	80%	0.797	S	S	*	*			trans	-120.5	114.7	157.3	-178.5	0	0	0	0	106.8
952	Q	30.1	Very low	31.4	Very low	170 Å²	170	129.9 Å²	129.9	79%	0.794	80%	0.795	S	S	*	*			trans	-72.2	163.6	-176.3	-101	-172.4	-24.5	0	0	112.9	V950	V950-Q952 HydrophobicContact CG1-CG 4.32Å
953	P	40.9	Very low	31.2	Very low	114 Å²	114	128.2 Å²	128.2	74%	0.74	79%	0.794	S	S	*	*			trans	-92.6	146.8	-152.6	35.4	-34.4	0	0	0	114
954	L	30.8	Very low	31.1	Very low	178 Å²	178	130 Å²	130	93%	0.932	80%	0.795	S	S	*	*			trans	-89.8	106.7	160.9	-80.5	163.2	0	0	0	109
955	S	27.6	Very low	31	Very low	112 Å²	112	134.8 Å²	134.8	78%	0.783	81%	0.813	S	S	*	*			trans	-65.4	124.5	163.1	51.9	0	0	0	0	110.7
956	S	30.4	Very low	31	Very low	116 Å²	116	136.5 Å²	136.5	81%	0.811	82%	0.819	S	S	*	*			trans	-147.1	119.1	152.1	60	0	0	0	0	110
957	S	25.9	Very low	30.9	Very low	111 Å²	111	138 Å²	138	78%	0.776	82%	0.822	S	S	*	*			trans	-69.9	169.2	-179.9	47.2	0	0	0	0	114.8
958	S	26.6	Very low	31.1	Very low	120 Å²	120	138.2 Å²	138.2	84%	0.839	82%	0.822	S	S	*	*			trans	84.2	135.6	170.2	80.4	0	0	0	0	114.3
959	S	30.4	Very low	30.4	Very low	98 Å²	98	139.7 Å²	139.7	69%	0.685	83%	0.828	S	S	*	*			cis	-152.3	136.3	23	49.4	0	0	0	0	110.8	L961	S959-L961 PolarHBondContact O-N 3.49Å
960	S	28.2	Very low	30.3	Very low	118 Å²	118	141.2 Å²	141.2	83%	0.825	83%	0.829	S	S	*	*			trans	-59.2	121.5	164.8	48.9	0	0	0	0	111.7
961	L	31	Very low	30.3	Very low	161 Å²	161	141.9 Å²	141.9	84%	0.843	83%	0.831	S	S	*	*			trans	-124.6	98.6	156.4	-83.8	160.7	0	0	0	106.6	S959 P963	S959-L961 PolarHBondContact O-N 3.49Å; L961-P963 WeakPolarHBondContact O-CD 3.19Å
962	K	27.3	Very low	30.2	Very low	186 Å²	186	141.9 Å²	141.9	81%	0.809	83%	0.829	S	S	*	*			trans	-74.6	125.5	162.2	-81.7	-178	169.4	-172.4	0	107.5
963	P	33.2	Very low	30.2	Very low	116 Å²	116	139.8 Å²	139.8	75%	0.753	83%	0.832	S	S	*	*			trans	-89.4	114.9	153.6	19	-1.6	0	0	0	107.7	L961 I965	L961-P963 WeakPolarHBondContact O-CD 3.19Å; P963-I965 PolarHBondContact O-N 2.64Å
964	D	27.4	Very low	29.3	Very low	151 Å²	151	141.9 Å²	141.9	81%	0.807	84%	0.84	S	S	*	*			trans	-69.1	111.3	160.3	-72.7	-38.2	0	0	0	108
965	I	32.6	Very low	29.1	Very low	236 Å²	236	138.6 Å²	138.6	100%	1.21	83%	0.831	S	S	*	*			trans	-144.7	0	145.9	-56.4	-176.5	0	0	0	104.5	P963	P963-I965 PolarHBondContact O-N 2.64Å

Retrieved 965 of 965 residues in 734.2 ms (Link to these results)

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