A0A077Z1M1_TRITR Loading...

Myosin XV

AlphaFold DB , UniProt , Accession A0A077Z1M1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,212 aa.

						>A0A077Z1M1_TRITR|A0A077Z1M1
MNVQGSKAFVQPTMQKEAVEVPLTEVSKRSSEAMAFEDLVQLEGSIGSGKSELSKQLVRYLSRGHLGGSPMNSELESAMTILESFTNAKTNANDNSTRCAKVFNLYFEKRHFRSANVSLILLEKFRLVAQSKQERNFHVFYQLLAGLDAQTKQSFGLTDPKNYFYLNQGKGVSLACKADASDYRLLEAALEALKIKSDQKHCIIRLLAAVLHLGNVYFEEEEDESGTKTISIGNSGEVQWCAYLLQMDADTLESQEQKTVQRLSLERALDMRDALAKELYATLVSWLVSHINKRLEGISGKTSVTVVDMFGFECYKTNTFEQLCVNYVNEKIQQFFVRVSFCTEQLEYNEEEIAWGQSVGQCLANDAVINLLTKKPNGILQLLADECNFPKGSDESFVLKCDSCHQDNDAYIKKKTNAHEFTIQHFFGPLRYNVLGYVERNRQFANGQLVKQMLSQMKLNTASVETEAEEKKLAGPGNVHSTVTAGLQKDIKQLICWLDKSFTHFVRCLNPNKCKVADKFELPFVHQQVKALGLLEILKMQKFGFPHRLTYTEFINKYGFLQGCKSANDKAEQRNQCLRILAAVMKEHSQEFRLGKTKVFMKEVVLEHLDRTVEKRLGSAIIAVQRICRGFLVRRQYKRCKKAVITIQSRVRGYNARLRFARMKLMAHEKALQSAKQSKILNAFRAMTDASHCNEESRRLDSMVAVVDHIPLPKALSELIYQSSGTIPEEYVVRDDLGMPFRDQELIVPHDLYYYPFEKFVSLCFKVCTGDGLRDPISTPFLHKDNEEDIEQSLMLFKLILRYMNDSSLTEDQEMLLANFIIKQGIDKAALRDEIYAQIVNQVHENPNQVNADRGWRLMTLCSSSFPPSTAMFKYILNFIMNTECDGFQNLIKNKLLHSVHDENTTCRSHPPTVLEHKAIKCKGKMVLSSYLSDGTKLKSQVESWTKAEDFASLSLQQWGFDEHNGWTVSIENESTIFHLSGNHYLLDFISYLEQPTELQSKHADCIASMKHDGMSDLYGITASDRLDALQERRRPSSSQSSKNPTGRRLHMHNYDRTKANEQGRCIATPPFTRESDESLCRSTSEAPIINDQEVDDFLNCLIQNNSTNFHSAKQLADNIRGGNETAQAERSDSLLNNDSLRHNHHPPPLLPVPSYAPPVFVMLPCTGERTLLLIKHFNFLPQQEQNHFAYMKIVIADWKLHERMDNHAYDY
					

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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	24.9	Very low	25.5	Very low	240 Å²	240	152.1 Å²	152.1	100%	1.182	84%	0.839	S	S	*	*				0	148.4	0	-76	171.7	166.2	0	0	108.6
2	N	28.7	Very low	25.5	Very low	148 Å²	148	150.3 Å²	150.3	79%	0.791	84%	0.839	S	S	*	*			trans	39	116.9	154.7	-72.1	11.6	0	0	0	122.4
3	V	26.3	Very low	25.6	Very low	111 Å²	111	145.3 Å²	145.3	67%	0.673	82%	0.815	S	S	*	*				99.1	122.5	116	168.6	0	0	0	0	120.3
4	Q	25.4	Very low	25.7	Very low	193 Å²	193	144.9 Å²	144.9	90%	0.902	81%	0.806	S	S	*	*			trans	68.8	126.3	155.1	-77.5	160	6.8	0	0	121.1
5	G	25.4	Very low	25.9	Very low	80 Å²	80	142.3 Å²	142.3	83%	0.825	79%	0.785	S	S	*	*			trans	-176.9	25.2	171.6	0	0	0	0	0	113.3
6	S	21.9	Very low	26.2	Very low	119 Å²	119	143.6 Å²	143.6	83%	0.832	78%	0.781	S	S	*	*			trans	-110.4	105.4	-166.4	-50.9	0	0	0	0	112.3
7	K	27.2	Very low	26.5	Very low	209 Å²	209	141.4 Å²	141.4	91%	0.909	76%	0.764	S	S	*	*			trans	-156.9	94.7	158.8	-112.8	178.4	-173.8	-178.4	0	111.1
8	A	22.2	Very low	26.9	Very low	90 Å²	90	134.5 Å²	134.5	74%	0.744	73%	0.729	S	S	*	*			trans	-120.2	131.2	158	0	0	0	0	0	107
9	F	26.2	Very low	27.5	Very low	209 Å²	209	129.6 Å²	129.6	92%	0.917	70%	0.704	S	S	*	*			trans	-144.3	127.5	170.3	-108.6	-83.9	0	0	0	108.2
10	V	26.3	Very low	28	Very low	124 Å²	124	128.4 Å²	128.4	75%	0.752	69%	0.694	S	S	*	*			trans	-116.9	130.8	-171.7	174.6	0	0	0	0	109.5
11	Q	26	Very low	28.5	Very low	150 Å²	150	125.9 Å²	125.9	70%	0.701	68%	0.682	S	S	*	*			trans	23.7	124.7	160.4	-62.2	179.3	-25.6	0	0	120.2	T13	Q11-T13 PolarHBondContact O-N 3.08Å
12	P	25.6	Very low	29.2	Very low	130 Å²	130	117.6 Å²	117.6	84%	0.844	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	49.1	177.6	37.2	-37.7	0	0	0	113.4
13	T	27.2	Very low	30	Very low	86 Å²	86	111.2 Å²	111.2	53%	0.528	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87	-30.6	-174.8	-21.7	0	0	0	0	113.6	Q11 Q15	Q11-T13 PolarHBondContact O-N 3.08Å; T13-Q15 VanDerWaalsContact C-N 3.33Å; T13-Q15 PolarHBondContact O-N 2.78Å
14	M	26	Very low	30.9	Very low	140 Å²	140	108.3 Å²	108.3	69%	0.69	60%	0.595	S	S	*	*	H	α-helix	trans	-74.3	-12.1	-162.3	-53.3	-154	80.6	0	0	115.9	K16 A18	M14-K16 VanDerWaalsContact C-N 3.33Å; M14-K16 PolarHBondContact O-N 3.21Å; M14-A18 WeakPolarHBondContact O-CB 2.91Å; M14-A18 PolarHBondContact O-N 2.66Å
15	Q	29	Very low	32	Very low	105 Å²	105	102 Å²	102	49%	0.491	57%	0.566	S	S	.	*	H	α-helix	trans	-70.9	-21.4	-174	-79.2	-176.7	-23.5	0	0	114.5	T13	T13-Q15 VanDerWaalsContact C-N 3.33Å; T13-Q15 PolarHBondContact O-N 2.78Å
16	K	30.9	Very low	33	Very low	164 Å²	164	99.2 Å²	99.2	71%	0.713	53%	0.532	S	S	*	.	H	α-helix	trans	-79	-51.3	173.8	-78.9	-170.3	171.2	-171.8	0	112.2	M14 A18 V19 E20	M14-K16 VanDerWaalsContact C-N 3.33Å; M14-K16 PolarHBondContact O-N 3.21Å; K16-A18 PolarHBondContact O-N 2.73Å; K16-V19 PolarHBondContact O-N 2.97Å; K16-V19 VanDerWaalsContact O-N 3.15Å; K16-E20 PolarHBondContact O-N 2.76Å
17	E	31.5	Very low	34.2	Very low	106 Å²	106	95 Å²	95	50%	0.495	50%	0.502	S	S	.	.	H	α-helix	trans	-56.9	-36.7	-178.5	-60.8	175.8	140.3	0	0	111.6	V19 E20 V21	E17-V19 PolarHBondContact O-N 3.31Å; E17-V19 VanDerWaalsContact O-N 3.16Å; E17-E20 PolarHBondContact O-N 2.77Å; E17-V21 WeakPolarHBondContact O-CB 3.42Å; E17-V21 VanDerWaalsContact O-CG2 3.31Å; E17-V21 WeakPolarHBondContact O-CG2 3.34Å; E17-V21 PolarHBondContact O-N 3.24Å
18	A	33.8	Very low	35.2	Very low	17 Å²	17	89.7 Å²	89.7	14%	0.14	48%	0.48	C	S	.	.	H	α-helix	trans	-56.6	-28.7	179.1	0	0	0	0	0	115.5	M14 K16 V1162 L1164	M14-A18 WeakPolarHBondContact O-CB 2.91Å; M14-A18 PolarHBondContact O-N 2.66Å; K16-A18 PolarHBondContact O-N 2.73Å; A18-V1162 HydrophobicContact CB-CB 4.2Å; A18-V1162 HydrophobicContact CB-CG1 3.64Å; A18-V1162 HydrophobicContact CB-CG2 4.29Å; A18-L1164 HydrophobicContact CB-CD2 3.58Å
19	V	37.7	Very low	36.4	Very low	41 Å²	41	89.6 Å²	89.6	25%	0.248	46%	0.46	C	S	.	.	H	α-helix	trans	-96.2	-36.8	176.2	-177.5	0	0	0	0	110.9	K16 E17 L23 L1164	K16-V19 PolarHBondContact O-N 2.97Å; K16-V19 VanDerWaalsContact O-N 3.15Å; E17-V19 PolarHBondContact O-N 3.31Å; E17-V19 VanDerWaalsContact O-N 3.16Å; V19-L23 HydrophobicContact CG1-CD1 3.95Å; V19-L23 WeakPolarHBondContact O-CD1 3.35Å; V19-L23 VanDerWaalsContact O-CG 3.3Å; V19-L23 WeakPolarHBondContact O-CG 3.44Å; V19-L1164 HydrophobicContact CG2-CD1 3.82Å; V19-L1164 HydrophobicContact CG2-CD2 3.73Å; V19-L1164 HydrophobicContact CG2-CG 4.45Å
20	E	38.5	Very low	37.2	Very low	106 Å²	106	80 Å²	80	50%	0.495	42%	0.419	S	S	.	.	H	α-helix	trans	-71.4	-32.1	-178.9	-70.6	-178.6	144.6	0	0	112.9	K16 E17 L23 T24	K16-E20 PolarHBondContact O-N 2.76Å; E17-E20 PolarHBondContact O-N 2.77Å; E20-L23 PolarHBondContact O-N 2.69Å; E20-T24 VanDerWaalsContact O-CB 3.26Å; E20-T24 WeakPolarHBondContact O-CB 3.11Å; E20-T24 VanDerWaalsContact O-CG2 3.23Å; E20-T24 WeakPolarHBondContact O-CG2 3.43Å; E20-T24 PolarHBondContact O-N 3.46Å; E20-T24 PolarHBondContact O-OG1 3.45Å
21	V	38.1	Very low	38	Very low	75 Å²	75	75.6 Å²	75.6	46%	0.455	39%	0.394	S	S	.	.	H	α-helix	trans	-62.4	-53.1	-177.2	167.3	0	0	0	0	113.1	E17 L23 T24 E25	E17-V21 WeakPolarHBondContact O-CB 3.42Å; E17-V21 VanDerWaalsContact O-CG2 3.31Å; E17-V21 WeakPolarHBondContact O-CG2 3.34Å; E17-V21 PolarHBondContact O-N 3.24Å; V21-L23 VanDerWaalsContact C-N 3.31Å; V21-L23 PolarHBondContact O-N 3.06Å; V21-T24 WeakPolarHBondContact CA-OG1 3.44Å; V21-T24 PolarHBondContact O-N 3.4Å; V21-T24 PolarHBondContact O-OG1 2.67Å; V21-T24 VanDerWaalsContact O-OG1 3.06Å; V21-E25 WeakPolarHBondContact O-CB 3.37Å; V21-E25 PolarHBondContact O-N 2.8Å
22	P	39.4	Very low	38.9	Very low	67 Å²	67	75.4 Å²	75.4	44%	0.435	39%	0.393	S	S	.	.	H	α-helix	trans	-63.3	-36	177.8	-22.9	34.3	0	0	0	113.2	V26	P22-V26 WeakPolarHBondContact O-CG2 3.37Å; P22-V26 PolarHBondContact O-N 3.44Å; P22-V26 VanDerWaalsContact O-N 3.08Å
23	L	44.5	Very low	39.7	Very low	13 Å²	13	71 Å²	71	7%	0.068	37%	0.368	C	S	.	.	H	α-helix	trans	-71.8	-39.1	179.7	-62.8	179.1	0	0	0	111.9	V19 E20 V21 S27 L57 Y60	V19-L23 HydrophobicContact CG1-CD1 3.95Å; V19-L23 WeakPolarHBondContact O-CD1 3.35Å; V19-L23 VanDerWaalsContact O-CG 3.3Å; V19-L23 WeakPolarHBondContact O-CG 3.44Å; E20-L23 PolarHBondContact O-N 2.69Å; V21-L23 VanDerWaalsContact C-N 3.31Å; V21-L23 PolarHBondContact O-N 3.06Å; L23-S27 WeakPolarHBondContact O-CB 3.39Å; L23-S27 PolarHBondContact O-N 2.9Å; L23-L57 HydrophobicContact CD2-CB 3.89Å; L23-L57 HydrophobicContact CD2-CD1 3.61Å; L23-L57 HydrophobicContact CD2-CG 4.33Å; L23-Y60 HydrophobicContact CB-CD1 4.07Å; L23-Y60 HydrophobicContact CB-CD2 4.32Å; L23-Y60 HydrophobicContact CB-CE1 4.31Å; L23-Y60 HydrophobicContact CB-CG 4.1Å; L23-Y60 HydrophobicContact CD1-CD2 4.34Å; L23-Y60 HydrophobicContact CD1-CG 4.2Å
24	T	46.5	Very low	40.3	Very low	50 Å²	50	70.2 Å²	70.2	31%	0.307	36%	0.359	S	S	.	.	H	α-helix	trans	-73.8	-31.9	174.5	54.2	0	0	0	0	112.3	E20 V21 K28 Y60	E20-T24 VanDerWaalsContact O-CB 3.26Å; E20-T24 WeakPolarHBondContact O-CB 3.11Å; E20-T24 VanDerWaalsContact O-CG2 3.23Å; E20-T24 WeakPolarHBondContact O-CG2 3.43Å; E20-T24 PolarHBondContact O-N 3.46Å; E20-T24 PolarHBondContact O-OG1 3.45Å; V21-T24 WeakPolarHBondContact CA-OG1 3.44Å; V21-T24 PolarHBondContact O-N 3.4Å; V21-T24 PolarHBondContact O-OG1 2.67Å; V21-T24 VanDerWaalsContact O-OG1 3.06Å; T24-K28 WeakPolarHBondContact O-CA 3.22Å; T24-K28 WeakPolarHBondContact O-CB 3.45Å; T24-K28 VanDerWaalsContact O-CG 3.29Å; T24-K28 WeakPolarHBondContact O-CG 3.43Å; T24-K28 PolarHBondContact O-N 3.41Å; T24-Y60 HydrophobicContact CG2-CE2 4.46Å; T24-Y60 VanDerWaalsContact CG2-OH 3.24Å; T24-Y60 WeakPolarHBondContact CG2-OH 3.37Å
25	E	47.6	Very low	41.3	Very low	62 Å²	62	67.5 Å²	67.5	29%	0.29	36%	0.358	S	S	.	.	H	α-helix	trans	-64.5	-54.2	171.9	-87.9	-138.6	87.1	0	0	112.1	V21 S27 K28 R29	V21-E25 WeakPolarHBondContact O-CB 3.37Å; V21-E25 PolarHBondContact O-N 2.8Å; E25-S27 VanDerWaalsContact C-N 3.34Å; E25-S27 PolarHBondContact O-N 2.97Å; E25-K28 PolarHBondContact O-N 2.82Å; E25-R29 WeakPolarHBondContact O-CG 3.36Å; E25-R29 PolarHBondContact O-N 2.85Å; E25-R29 IonicContact OE1-CZ 2.7Å; E25-R29 VanDerWaalsContact OE1-CZ 3.32Å; E25-R29 IonicContact OE1-NE 2.73Å; E25-R29 PolarHBondContact OE1-NE 3.43Å; E25-R29 VanDerWaalsContact OE1-NE 3.16Å; E25-R29 IonicContact OE1-NH2 3.58Å; E25-R29 PolarHBondContact OE1-NH2 3.28Å
26	V	46.3	Very low	42.3	Very low	21 Å²	21	69.6 Å²	69.6	13%	0.127	37%	0.366	C	S	.	.	H	α-helix	trans	-58.5	-49.9	176.5	172	0	0	0	0	109.3	P22 K28 R29 S30 V40	P22-V26 WeakPolarHBondContact O-CG2 3.37Å; P22-V26 PolarHBondContact O-N 3.44Å; P22-V26 VanDerWaalsContact O-N 3.08Å; V26-K28 VanDerWaalsContact C-N 3.31Å; V26-K28 PolarHBondContact O-N 3.32Å; V26-R29 PolarHBondContact O-N 3.44Å; V26-S30 WeakPolarHBondContact O-CB 3.41Å; V26-S30 PolarHBondContact O-N 2.8Å; V26-S30 PolarHBondContact O-OG 2.8Å; V26-V40 HydrophobicContact CG1-CG2 3.84Å
27	S	46.9	Very low	44	Very low	29 Å²	29	66.5 Å²	66.5	20%	0.203	35%	0.354	C	S	.	.	H	α-helix	trans	-63.7	-30.5	178.3	-177.1	0	0	0	0	114	L23 E25 S31	L23-S27 WeakPolarHBondContact O-CB 3.39Å; L23-S27 PolarHBondContact O-N 2.9Å; E25-S27 VanDerWaalsContact C-N 3.34Å; E25-S27 PolarHBondContact O-N 2.97Å; S27-S31 WeakPolarHBondContact O-CB 3.33Å; S27-S31 PolarHBondContact O-N 3.32Å; S27-S31 PolarHBondContact O-OG 3.04Å
28	K	49.3	Very low	46.2	Very low	99 Å²	99	61.7 Å²	61.7	43%	0.43	33%	0.332	S	S	.	.	H	α-helix	trans	-69.6	-56.3	174.2	-92.5	-175.2	171.2	-175.1	0	110.4	T24 E25 V26 S30 S31 E32	T24-K28 WeakPolarHBondContact O-CA 3.22Å; T24-K28 WeakPolarHBondContact O-CB 3.45Å; T24-K28 VanDerWaalsContact O-CG 3.29Å; T24-K28 WeakPolarHBondContact O-CG 3.43Å; T24-K28 PolarHBondContact O-N 3.41Å; E25-K28 PolarHBondContact O-N 2.82Å; V26-K28 VanDerWaalsContact C-N 3.31Å; V26-K28 PolarHBondContact O-N 3.32Å; K28-S30 VanDerWaalsContact C-N 3.26Å; K28-S30 PolarHBondContact O-N 3.42Å; K28-S31 WeakPolarHBondContact CA-OG 3.45Å; K28-S31 CarbonylContact O-C 3.6Å; K28-S31 WeakPolarHBondContact O-CA 3.44Å; K28-S31 PolarHBondContact O-N 2.77Å; K28-S31 PolarHBondContact O-OG 3.19Å; K28-E32 PolarHBondContact O-N 3.13Å
29	R	47.5	Very low	48.6	Very low	87 Å²	87	61 Å²	61	33%	0.328	33%	0.326	S	S	.	.	H	α-helix	trans	-55.5	-44.5	-179	-65.6	179.5	-166.9	-125.7	-0.3	109.5	E25 V26 E32 A33 E603	E25-R29 WeakPolarHBondContact O-CG 3.36Å; E25-R29 PolarHBondContact O-N 2.85Å; E25-R29 IonicContact OE1-CZ 2.7Å; E25-R29 VanDerWaalsContact OE1-CZ 3.32Å; E25-R29 IonicContact OE1-NE 2.73Å; E25-R29 PolarHBondContact OE1-NE 3.43Å; E25-R29 VanDerWaalsContact OE1-NE 3.16Å; E25-R29 IonicContact OE1-NH2 3.58Å; E25-R29 PolarHBondContact OE1-NH2 3.28Å; V26-R29 PolarHBondContact O-N 3.44Å; R29-E32 PolarHBondContact O-N 2.96Å; R29-A33 WeakPolarHBondContact O-CB 3.09Å; R29-A33 PolarHBondContact O-N 3.25Å; R29-E603 IonicContact CZ-OE1 3.88Å; R29-E603 IonicContact NH1-OE1 2.99Å; R29-E603 IonicContact NH2-OE1 3.65Å; R29-E603 PolarHBondContact NH2-OE1 3.07Å
30	S	42.9	Very low	50.8	Low	9 Å²	9	59.1 Å²	59.1	6%	0.063	31%	0.314	C	S	.	.	H	α-helix	trans	-63.9	-40.2	171.1	-64.6	0	0	0	0	114.7	V26 K28 E32 A33 M34 D38	V26-S30 WeakPolarHBondContact O-CB 3.41Å; V26-S30 PolarHBondContact O-N 2.8Å; V26-S30 PolarHBondContact O-OG 2.8Å; K28-S30 VanDerWaalsContact C-N 3.26Å; K28-S30 PolarHBondContact O-N 3.42Å; S30-E32 VanDerWaalsContact C-N 3.27Å; S30-E32 PolarHBondContact O-N 2.87Å; S30-A33 CarbonylContact O-C 3.46Å; S30-A33 PolarHBondContact O-N 2.83Å; S30-M34 WeakPolarHBondContact O-CG 3.49Å; S30-M34 PolarHBondContact O-N 2.67Å; S30-D38 WeakPolarHBondContact CA-OD2 3.17Å; S30-D38 WeakPolarHBondContact CB-OD2 3.49Å; S30-D38 PolarHBondContact OG-OD2 2.96Å
31	S	43.6	Very low	53	Low	31 Å²	31	54.1 Å²	54.1	22%	0.217	29%	0.291	C	S	.	.	H	α-helix	trans	-70.8	-20.8	178.9	75.5	0	0	0	0	114.5	S27 K28	S27-S31 WeakPolarHBondContact O-CB 3.33Å; S27-S31 PolarHBondContact O-N 3.32Å; S27-S31 PolarHBondContact O-OG 3.04Å; K28-S31 WeakPolarHBondContact CA-OG 3.45Å; K28-S31 CarbonylContact O-C 3.6Å; K28-S31 WeakPolarHBondContact O-CA 3.44Å; K28-S31 PolarHBondContact O-N 2.77Å; K28-S31 PolarHBondContact O-OG 3.19Å
32	E	43.3	Very low	55.3	Low	146 Å²	146	50.7 Å²	50.7	68%	0.682	27%	0.27	S	S	*	.	H	α-helix	trans	-89.9	-33.3	173.3	-68.9	174.2	-160.6	0	0	110.9	K28 R29 S30 M34	K28-E32 PolarHBondContact O-N 3.13Å; R29-E32 PolarHBondContact O-N 2.96Å; S30-E32 VanDerWaalsContact C-N 3.27Å; S30-E32 PolarHBondContact O-N 2.87Å; E32-M34 VanDerWaalsContact C-N 3.29Å; E32-M34 PolarHBondContact O-N 2.99Å
33	A	42.3	Very low	57.4	Low	38 Å²	38	47.8 Å²	47.8	31%	0.314	25%	0.251	S	S	.	.			trans	-85.1	20.1	176.6	0	0	0	0	0	114.9	R29 S30 A35 F36	R29-A33 WeakPolarHBondContact O-CB 3.09Å; R29-A33 PolarHBondContact O-N 3.25Å; S30-A33 CarbonylContact O-C 3.46Å; S30-A33 PolarHBondContact O-N 2.83Å; A33-A35 PolarHBondContact O-N 2.89Å; A33-F36 PolarHBondContact O-N 3.23Å; A33-F36 VanDerWaalsContact O-N 3.13Å
34	M	40.6	Very low	59.3	Low	69 Å²	69	47.3 Å²	47.3	34%	0.34	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	29.4	-176.4	-77.4	-171.8	157.8	0	0	116.6	S30 E32 K109 R110 T302	S30-M34 WeakPolarHBondContact O-CG 3.49Å; S30-M34 PolarHBondContact O-N 2.67Å; E32-M34 VanDerWaalsContact C-N 3.29Å; E32-M34 PolarHBondContact O-N 2.99Å; M34-K109 WeakPolarHBondContact CE-O 3.46Å; M34-R110 HydrophobicContact SD-CG 4.46Å; M34-T302 HydrophobicContact CB-CG2 4.04Å; M34-T302 HydrophobicContact CG-CG2 4.35Å; M34-T302 VanDerWaalsContact O-CG2 3.25Å; M34-T302 WeakPolarHBondContact O-CG2 3.45Å
35	A	46.7	Very low	61.1	Low	82 Å²	82	45.4 Å²	45.4	68%	0.678	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-12.7	162.4	0	0	0	0	0	113.2	A33	A33-A35 PolarHBondContact O-N 2.89Å
36	F	51.4	Low	62.9	Low	150 Å²	150	43 Å²	43	66%	0.658	23%	0.227	S	C	*	.	S	Bend	trans	-126.8	170.7	-171.9	-64.3	-76.1	0	0	0	113.5	A33	A33-F36 PolarHBondContact O-N 3.23Å; A33-F36 VanDerWaalsContact O-N 3.13Å
37	E	66.6	Low	64.5	Low	99 Å²	99	43.7 Å²	43.7	46%	0.463	24%	0.237	S	C	.	.			trans	-90.9	121.9	172	-59.4	-158.6	103.2	0	0	109.7	S303 S501 F502	E37-S303 WeakPolarHBondContact CB-OG 3.36Å; E37-S303 VanDerWaalsContact CD-OG 3.25Å; E37-S303 VanDerWaalsContact CG-OG 3.23Å; E37-S303 WeakPolarHBondContact CG-OG 3.37Å; E37-S303 PolarHBondContact OE1-OG 3.07Å; E37-S501 CarbonylContact O-C 3.48Å; E37-S501 VanDerWaalsContact O-CA 3.24Å; E37-S501 WeakPolarHBondContact O-CA 3.49Å; E37-S501 WeakPolarHBondContact O-CB 3.44Å; E37-F502 PolarHBondContact O-N 3.44Å
38	D	77.2	Confident	66.4	Low	5 Å²	5	42.9 Å²	42.9	3%	0.027	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	153	-180	-73.3	-19.2	0	0	0	111.5	S30 S303 V304 T305	S30-D38 WeakPolarHBondContact CA-OD2 3.17Å; S30-D38 WeakPolarHBondContact CB-OD2 3.49Å; S30-D38 PolarHBondContact OG-OD2 2.96Å; D38-S303 PolarHBondContact N-O 3.3Å; D38-V304 CarbonylContact O-C 3.53Å; D38-V304 WeakPolarHBondContact O-CA 3.39Å; D38-T305 PolarHBondContact O-N 3.49Å
39	L	84.4	Confident	68.2	Low	3 Å²	3	40 Å²	40	2%	0.016	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	140.1	177.2	-171.9	147.9	0	0	0	111.5	Q41 T305 V307 L498 F502 T503 H504	L39-Q41 HydrophobicContact CD2-CB 4.05Å; L39-T305 CarbonylContact C-O 3.6Å; L39-T305 VanDerWaalsContact CA-O 3.32Å; L39-T305 WeakPolarHBondContact CA-O 3.16Å; L39-T305 HydrophobicContact CD1-CG2 3.61Å; L39-T305 HydrophobicContact CG-CG2 3.91Å; L39-V307 HydrophobicContact CD1-CG2 4.24Å; L39-V307 HydrophobicContact CD2-CG2 4.02Å; L39-V307 HydrophobicContact CG-CG2 4.19Å; L39-L498 HydrophobicContact CD1-CD2 3.69Å; L39-L498 HydrophobicContact CD2-CD2 3.33Å; L39-L498 HydrophobicContact CG-CD2 4.17Å; L39-F502 PolarHBondContact N-O 2.92Å; L39-T503 HydrophobicContact CD2-CG2 3.86Å; L39-T503 CarbonylContact O-C 3.57Å; L39-T503 WeakPolarHBondContact O-CA 3.31Å; L39-H504 PolarHBondContact O-N 3.34Å
40	V	83.6	Confident	70.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	105.4	177.9	-170.5	0	0	0	0	109.5	V26 L42 L57 V304 T305 V307 H504 V506	V26-V40 HydrophobicContact CG1-CG2 3.84Å; V40-L42 HydrophobicContact CG1-CD2 4.03Å; V40-L57 HydrophobicContact CB-CD2 3.91Å; V40-L57 HydrophobicContact CG1-CD2 3.71Å; V40-L57 HydrophobicContact CG2-CD2 4.07Å; V40-V304 HydrophobicContact CG2-CG1 4.47Å; V40-T305 PolarHBondContact N-O 2.83Å; V40-V307 PolarHBondContact O-N 3.27Å; V40-H504 CarbonylContact C-O 3.57Å; V40-H504 WeakPolarHBondContact CA-O 3.3Å; V40-H504 HydrophobicContact CG2-CB 4.41Å; V40-V506 HydrophobicContact CG1-CG2 3.82Å
41	Q	85.3	Confident	72.4	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.009	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	118.5	178.9	179.7	57.8	62.7	0	0	110.1	L39 E43 I332 T503 H504 F505 V506	L39-Q41 HydrophobicContact CD2-CB 4.05Å; Q41-E43 HydrophobicContact CG-CG 4.24Å; Q41-I332 HydrophobicContact CG-CG2 4.14Å; Q41-T503 HydrophobicContact CB-CG2 3.97Å; Q41-H504 PolarHBondContact N-O 2.98Å; Q41-F505 HydrophobicContact CB-CD1 4.11Å; Q41-F505 HydrophobicContact CB-CE1 4.36Å; Q41-F505 HydrophobicContact CG-CD1 4.16Å; Q41-F505 HydrophobicContact CG-CE1 4.29Å; Q41-V506 PolarHBondContact O-N 3.07Å
42	L	85.2	Confident	74.6	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	127.2	177.3	-51.3	-176.9	0	0	0	110.1	V40 K50 L53 V307 V506	V40-L42 HydrophobicContact CG1-CD2 4.03Å; L42-K50 HydrophobicContact CB-CB 4.21Å; L42-K50 HydrophobicContact CB-CD 4.23Å; L42-K50 HydrophobicContact CB-CG 4.01Å; L42-K50 VanDerWaalsContact CD1-O 3.22Å; L42-K50 WeakPolarHBondContact CD1-O 3.37Å; L42-K50 WeakPolarHBondContact O-CD 3.46Å; L42-L53 HydrophobicContact CD2-CD2 4.29Å; L42-V307 PolarHBondContact N-O 3.08Å; L42-V506 HydrophobicContact CD2-CB 3.73Å; L42-V506 HydrophobicContact CD2-CG2 3.95Å
43	E	84.8	Confident	76.8	Confident	6 Å²	6	34.4 Å²	34.4	3%	0.028	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	154.9	-176.8	-81	-167.5	-105.5	0	0	112.5	Q41 I332 F505 V506 R507 C508	Q41-E43 HydrophobicContact CG-CG 4.24Å; E43-I332 HydrophobicContact CG-CG2 3.96Å; E43-F505 VanDerWaalsContact OE1-CD1 3.3Å; E43-F505 WeakPolarHBondContact OE1-CD1 3.45Å; E43-V506 PolarHBondContact N-O 2.79Å; E43-R507 IonicContact OE1-CZ 2.56Å; E43-R507 VanDerWaalsContact OE1-CZ 3.29Å; E43-R507 IonicContact OE1-NE 2.74Å; E43-R507 IonicContact OE1-NH1 3.67Å; E43-R507 IonicContact OE1-NH2 2.73Å; E43-R507 PolarHBondContact OE1-NH2 2.86Å; E43-R507 IonicContact OE2-CZ 3.86Å; E43-R507 VanDerWaalsContact OE2-CZ 3.25Å; E43-R507 IonicContact OE2-NH1 3.1Å; E43-R507 PolarHBondContact OE2-NH1 3.37Å; E43-R507 IonicContact OE2-NH2 3.62Å; E43-R507 PolarHBondContact OE2-NH2 3.22Å; E43-C508 WeakPolarHBondContact O-CB 3.39Å; E43-C508 PolarHBondContact O-N 3.22Å
44	G	84.1	Confident	79.1	Confident	3 Å²	3	32.7 Å²	32.7	3%	0.031	19%	0.192	C	C	.	.			trans	144.4	174.8	177.5	0	0	0	0	0	113.4	K50 G311 F312 C508	G44-K50 PolarHBondContact O-NZ 3.38Å; G44-G311 WeakPolarHBondContact O-CA 3.5Å; G44-F312 PolarHBondContact O-N 3.43Å; G44-C508 WeakPolarHBondContact CA-O 3.45Å
45	S	84.3	Confident	81.4	Confident	9 Å²	9	30.3 Å²	30.3	6%	0.063	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-61.2	162.1	179.4	57.5	0	0	0	0	113.4	G47 S48 K50 N510 Q528	S45-G47 PolarHBondContact O-N 2.86Å; S45-S48 WeakPolarHBondContact O-CB 3.25Å; S45-S48 PolarHBondContact O-N 2.88Å; S45-S48 PolarHBondContact O-OG 2.56Å; S45-S48 VanDerWaalsContact O-OG 3.05Å; S45-K50 PolarHBondContact O-NZ 3.41Å; S45-N510 WeakPolarHBondContact OG-CB 3.48Å; S45-Q528 PolarHBondContact OG-OE1 3.21Å
46	I	84.2	Confident	83.4	Confident	13 Å²	13	30.1 Å²	30.1	7%	0.067	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	136	169.2	-174.2	162.1	0	0	0	111	S48 T90 A92 N93 F312 E313 N510	I46-S48 VanDerWaalsContact C-N 3.34Å; I46-S48 PolarHBondContact O-N 3.24Å; I46-T90 HydrophobicContact CD1-CG2 4.33Å; I46-T90 WeakPolarHBondContact CD1-OG1 3.4Å; I46-A92 HydrophobicContact CB-CB 4.42Å; I46-A92 HydrophobicContact CD1-CB 4.18Å; I46-A92 HydrophobicContact CG1-CB 4.06Å; I46-A92 HydrophobicContact CG2-CB 3.57Å; I46-N93 HydrophobicContact CG1-CB 4.14Å; I46-F312 PolarHBondContact N-O 3.02Å; I46-F312 VanDerWaalsContact N-O 3.12Å; I46-E313 HydrophobicContact CB-CG 4.2Å; I46-E313 HydrophobicContact CD1-CG 3.87Å; I46-E313 HydrophobicContact CG2-CG 4.16Å; I46-N510 PolarHBondContact O-ND2 3.44Å
47	G	81.3	Confident	85	Confident	34 Å²	34	23.2 Å²	23.2	35%	0.351	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	0.4	-176.1	0	0	0	0	0	116.1	S45 G49	S45-G47 PolarHBondContact O-N 2.86Å; G47-G49 PolarHBondContact O-N 3.42Å
48	S	86.3	Confident	86	Confident	12 Å²	12	18.6 Å²	18.6	8%	0.084	11%	0.113	C	C	.	.	S	Bend	trans	-73.8	10.3	-175.2	75.5	0	0	0	0	117.1	S45 I46 K50 C508	S45-S48 WeakPolarHBondContact O-CB 3.25Å; S45-S48 PolarHBondContact O-N 2.88Å; S45-S48 PolarHBondContact O-OG 2.56Å; S45-S48 VanDerWaalsContact O-OG 3.05Å; I46-S48 VanDerWaalsContact C-N 3.34Å; I46-S48 PolarHBondContact O-N 3.24Å; S48-K50 PolarHBondContact OG-NZ 2.9Å; S48-C508 WeakPolarHBondContact CB-O 3.43Å; S48-C508 WeakPolarHBondContact O-CB 3.48Å; S48-C508 WeakPolarHBondContact OG-CB 3.47Å; S48-C508 PolarHBondContact OG-O 3.28Å
49	G	87.1	Confident	86.4	Confident	38 Å²	38	22.5 Å²	22.5	39%	0.392	13%	0.127	S	C	.	.	S	Bend	trans	88.8	-5.3	176.6	0	0	0	0	0	117	G47 S51 E52 L53	G47-G49 PolarHBondContact O-N 3.42Å; G49-S51 VanDerWaalsContact C-N 3.28Å; G49-S51 PolarHBondContact O-N 3Å; G49-S51 VanDerWaalsContact O-N 3.1Å; G49-E52 PolarHBondContact O-N 2.91Å; G49-L53 PolarHBondContact O-N 3.47Å; G49-L53 VanDerWaalsContact O-N 3.08Å
50	K	89	Confident	86.3	Confident	10 Å²	10	25.4 Å²	25.4	4%	0.043	14%	0.138	C	C	.	.	H	α-helix	trans	-38.7	-53.3	178.5	-74.6	-176.1	-67.4	-65.7	0	113.9	L42 G44 S45 S48 E52 L53 S54 M309 C508	L42-K50 HydrophobicContact CB-CB 4.21Å; L42-K50 HydrophobicContact CB-CD 4.23Å; L42-K50 HydrophobicContact CB-CG 4.01Å; L42-K50 VanDerWaalsContact CD1-O 3.22Å; L42-K50 WeakPolarHBondContact CD1-O 3.37Å; L42-K50 WeakPolarHBondContact O-CD 3.46Å; G44-K50 PolarHBondContact O-NZ 3.38Å; S45-K50 PolarHBondContact O-NZ 3.41Å; S48-K50 PolarHBondContact OG-NZ 2.9Å; K50-E52 VanDerWaalsContact C-N 3.34Å; K50-E52 PolarHBondContact O-N 2.98Å; K50-L53 PolarHBondContact O-N 3.46Å; K50-S54 PolarHBondContact O-N 2.82Å; K50-M309 WeakPolarHBondContact CE-O 3.43Å; K50-C508 HydrophobicContact CG-CB 3.93Å
51	S	89.9	Confident	86.2	Confident	15 Å²	15	26.1 Å²	26.1	11%	0.105	14%	0.142	C	C	.	.	H	α-helix	trans	-70.3	-28.7	-172.7	-42.8	0	0	0	0	113	G49 K55 T97 D308	G49-S51 VanDerWaalsContact C-N 3.28Å; G49-S51 PolarHBondContact O-N 3Å; G49-S51 VanDerWaalsContact O-N 3.1Å; S51-K55 WeakPolarHBondContact O-CE 3.43Å; S51-K55 VanDerWaalsContact O-CG 3.29Å; S51-K55 WeakPolarHBondContact O-CG 3.36Å; S51-K55 PolarHBondContact O-N 3.11Å; S51-T97 PolarHBondContact OG-OG1 2.88Å; S51-D308 VanDerWaalsContact CA-OD1 3.26Å; S51-D308 WeakPolarHBondContact CA-OD1 3.25Å; S51-D308 WeakPolarHBondContact CB-OD1 3.43Å; S51-D308 WeakPolarHBondContact CB-OD2 3.42Å; S51-D308 PolarHBondContact N-OD1 3.32Å; S51-D308 VanDerWaalsContact OG-CG 3.23Å; S51-D308 PolarHBondContact OG-OD1 3.46Å; S51-D308 PolarHBondContact OG-OD2 3.37Å; S51-D308 VanDerWaalsContact OG-OD2 3.06Å
52	E	89.4	Confident	86	Confident	86 Å²	86	26.3 Å²	26.3	40%	0.402	14%	0.144	S	C	.	.	H	α-helix	trans	-75	-37.9	171.9	-58.6	-51.8	139	0	0	111.5	G49 K50 K55 Q56	G49-E52 PolarHBondContact O-N 2.91Å; K50-E52 VanDerWaalsContact C-N 3.34Å; K50-E52 PolarHBondContact O-N 2.98Å; E52-K55 WeakPolarHBondContact O-CB 3.3Å; E52-K55 PolarHBondContact O-N 2.86Å; E52-K55 IonicContact OE1-NZ 3.43Å; E52-K55 PolarHBondContact OE1-NZ 2.69Å; E52-K55 VanDerWaalsContact OE2-CD 3.32Å; E52-K55 WeakPolarHBondContact OE2-CD 3.31Å; E52-K55 WeakPolarHBondContact OE2-CE 3.42Å; E52-K55 IonicContact OE2-NZ 2.7Å; E52-K55 PolarHBondContact OE2-NZ 3.46Å; E52-Q56 WeakPolarHBondContact O-CG 3.35Å; E52-Q56 PolarHBondContact O-N 3.17Å
53	L	89.9	Confident	85.7	Confident	45 Å²	45	32.7 Å²	32.7	24%	0.236	17%	0.168	C	C	.	.	H	α-helix	trans	-65.1	-39.5	173.8	-178.3	59.3	0	0	0	111.8	L42 G49 K50 K55 Q56 L57 V506	L42-L53 HydrophobicContact CD2-CD2 4.29Å; G49-L53 PolarHBondContact O-N 3.47Å; G49-L53 VanDerWaalsContact O-N 3.08Å; K50-L53 PolarHBondContact O-N 3.46Å; L53-K55 VanDerWaalsContact C-N 3.31Å; L53-K55 PolarHBondContact O-N 2.66Å; L53-Q56 PolarHBondContact O-N 3.33Å; L53-L57 WeakPolarHBondContact O-CB 3.41Å; L53-L57 PolarHBondContact O-N 3.43Å; L53-V506 HydrophobicContact CD2-CG1 3.76Å
54	S	89.4	Confident	84.7	Confident	3 Å²	3	34.4 Å²	34.4	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-55.2	-47.2	171.1	-174.5	0	0	0	0	111.1	K50 Q56 L57 V58	K50-S54 PolarHBondContact O-N 2.82Å; S54-Q56 PolarHBondContact O-N 2.96Å; S54-L57 PolarHBondContact O-N 2.86Å; S54-V58 WeakPolarHBondContact O-CB 3.36Å; S54-V58 WeakPolarHBondContact O-CG2 3.48Å; S54-V58 PolarHBondContact O-N 3.4Å
55	K	89.4	Confident	83.2	Confident	19 Å²	19	42.5 Å²	42.5	8%	0.083	22%	0.224	C	C	.	.	H	α-helix	trans	-59.7	-47.1	175.7	-63.1	165.1	-155.3	-175.6	0	112	S51 E52 L53 L57 V58 R59 M79 E83	S51-K55 WeakPolarHBondContact O-CE 3.43Å; S51-K55 VanDerWaalsContact O-CG 3.29Å; S51-K55 WeakPolarHBondContact O-CG 3.36Å; S51-K55 PolarHBondContact O-N 3.11Å; E52-K55 WeakPolarHBondContact O-CB 3.3Å; E52-K55 PolarHBondContact O-N 2.86Å; E52-K55 IonicContact OE1-NZ 3.43Å; E52-K55 PolarHBondContact OE1-NZ 2.69Å; E52-K55 VanDerWaalsContact OE2-CD 3.32Å; E52-K55 WeakPolarHBondContact OE2-CD 3.31Å; E52-K55 WeakPolarHBondContact OE2-CE 3.42Å; E52-K55 IonicContact OE2-NZ 2.7Å; E52-K55 PolarHBondContact OE2-NZ 3.46Å; L53-K55 VanDerWaalsContact C-N 3.31Å; L53-K55 PolarHBondContact O-N 2.66Å; K55-L57 PolarHBondContact O-N 2.96Å; K55-V58 PolarHBondContact O-N 3.1Å; K55-R59 VanDerWaalsContact O-CB 3.23Å; K55-R59 WeakPolarHBondContact O-CB 3.3Å; K55-R59 WeakPolarHBondContact O-CD 3.46Å; K55-R59 WeakPolarHBondContact O-CG 3.47Å; K55-R59 PolarHBondContact O-N 3.3Å; K55-M79 HydrophobicContact CB-CE 3.97Å; K55-M79 HydrophobicContact CG-CE 3.81Å; K55-E83 WeakPolarHBondContact CE-OE1 3.49Å; K55-E83 WeakPolarHBondContact CE-OE2 3.35Å; K55-E83 IonicContact NZ-OE1 2.71Å; K55-E83 PolarHBondContact NZ-OE1 2.79Å; K55-E83 IonicContact NZ-OE2 3.64Å; K55-E83 PolarHBondContact NZ-OE2 3.22Å
56	Q	87.9	Confident	81.3	Confident	78 Å²	78	48.9 Å²	48.9	36%	0.364	26%	0.257	S	S	.	.	H	α-helix	trans	-63.2	-40.9	-179.7	-69.8	178.6	8.3	0	0	112.1	E52 L53 S54 R59 Y60	E52-Q56 WeakPolarHBondContact O-CG 3.35Å; E52-Q56 PolarHBondContact O-N 3.17Å; L53-Q56 PolarHBondContact O-N 3.33Å; S54-Q56 PolarHBondContact O-N 2.96Å; Q56-R59 PolarHBondContact O-N 3.24Å; Q56-Y60 VanDerWaalsContact O-CB 3.28Å; Q56-Y60 WeakPolarHBondContact O-CB 3.48Å; Q56-Y60 PolarHBondContact O-N 3.41Å
57	L	85.6	Confident	79.6	Confident	5 Å²	5	51.4 Å²	51.4	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-65.4	-48.8	176.3	178.5	61.2	0	0	0	112.3	L23 V40 L53 S54 K55 R59 Y60 L61 V306	L23-L57 HydrophobicContact CD2-CB 3.89Å; L23-L57 HydrophobicContact CD2-CD1 3.61Å; L23-L57 HydrophobicContact CD2-CG 4.33Å; V40-L57 HydrophobicContact CB-CD2 3.91Å; V40-L57 HydrophobicContact CG1-CD2 3.71Å; V40-L57 HydrophobicContact CG2-CD2 4.07Å; L53-L57 WeakPolarHBondContact O-CB 3.41Å; L53-L57 PolarHBondContact O-N 3.43Å; S54-L57 PolarHBondContact O-N 2.86Å; K55-L57 PolarHBondContact O-N 2.96Å; L57-R59 VanDerWaalsContact C-N 3.31Å; L57-R59 PolarHBondContact O-N 2.91Å; L57-Y60 PolarHBondContact O-N 3.43Å; L57-L61 HydrophobicContact CD1-CD1 3.73Å; L57-L61 HydrophobicContact CD1-CG 3.96Å; L57-L61 HydrophobicContact CG-CD1 3.93Å; L57-L61 HydrophobicContact CG-CG 4.49Å; L57-L61 WeakPolarHBondContact O-CB 3.25Å; L57-L61 WeakPolarHBondContact O-CG 3.15Å; L57-L61 PolarHBondContact O-N 3.35Å; L57-V306 HydrophobicContact CD2-CB 4.42Å; L57-V306 HydrophobicContact CD2-CG1 3.85Å; L57-V306 HydrophobicContact CD2-CG2 3.67Å; L57-V306 HydrophobicContact CG-CG2 3.97Å
58	V	86.8	Confident	78.3	Confident	1 Å²	1	53 Å²	53	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-62.5	-38.5	177	173.7	0	0	0	0	111.3	S54 K55 S62 L75 M79 F103 L105 V306	S54-V58 WeakPolarHBondContact O-CB 3.36Å; S54-V58 WeakPolarHBondContact O-CG2 3.48Å; S54-V58 PolarHBondContact O-N 3.4Å; K55-V58 PolarHBondContact O-N 3.1Å; V58-S62 VanDerWaalsContact O-CB 3.3Å; V58-S62 WeakPolarHBondContact O-CB 3.33Å; V58-S62 PolarHBondContact O-N 2.9Å; V58-S62 PolarHBondContact O-OG 3.42Å; V58-L75 HydrophobicContact CG1-CD1 4.44Å; V58-L75 HydrophobicContact CG1-CD2 3.6Å; V58-L75 HydrophobicContact CG1-CG 4.04Å; V58-M79 HydrophobicContact CB-CE 3.94Å; V58-M79 HydrophobicContact CB-SD 4.35Å; V58-M79 HydrophobicContact CG1-CE 3.97Å; V58-M79 HydrophobicContact CG1-SD 3.71Å; V58-F103 HydrophobicContact CG2-CB 4.17Å; V58-F103 HydrophobicContact CG2-CD2 4.35Å; V58-F103 HydrophobicContact CG2-CG 4.21Å; V58-L105 HydrophobicContact CG1-CD1 4.38Å; V58-L105 HydrophobicContact CG1-CD2 4.4Å; V58-L105 HydrophobicContact CG2-CD1 4.49Å; V58-V306 HydrophobicContact CG2-CB 4.05Å; V58-V306 HydrophobicContact CG2-CG1 4.19Å; V58-V306 HydrophobicContact CG2-CG2 4.09Å
59	R	86	Confident	77.4	Confident	87 Å²	87	54.5 Å²	54.5	33%	0.328	31%	0.313	S	S	.	.	H	α-helix	trans	-63.1	-44.5	173.2	-77.2	171.6	170.8	146.9	9.7	112.9	K55 Q56 L57 S62 R63 E76	K55-R59 VanDerWaalsContact O-CB 3.23Å; K55-R59 WeakPolarHBondContact O-CB 3.3Å; K55-R59 WeakPolarHBondContact O-CD 3.46Å; K55-R59 WeakPolarHBondContact O-CG 3.47Å; K55-R59 PolarHBondContact O-N 3.3Å; Q56-R59 PolarHBondContact O-N 3.24Å; L57-R59 VanDerWaalsContact C-N 3.31Å; L57-R59 PolarHBondContact O-N 2.91Å; R59-S62 PolarHBondContact O-OG 2.89Å; R59-R63 WeakPolarHBondContact O-CB 3.33Å; R59-R63 VanDerWaalsContact O-CD 3.28Å; R59-R63 WeakPolarHBondContact O-CD 3.34Å; R59-R63 WeakPolarHBondContact O-CG 3.38Å; R59-R63 PolarHBondContact O-N 3.22Å; R59-E76 WeakPolarHBondContact CG-OE1 3.07Å; R59-E76 IonicContact CZ-OE2 3.31Å; R59-E76 VanDerWaalsContact NE-CD 3.3Å; R59-E76 IonicContact NE-OE1 3.24Å; R59-E76 PolarHBondContact NE-OE1 2.93Å; R59-E76 VanDerWaalsContact NE-OE1 3.14Å; R59-E76 IonicContact NE-OE2 3.29Å; R59-E76 PolarHBondContact NE-OE2 2.72Å; R59-E76 IonicContact NH2-OE2 2.68Å; R59-E76 PolarHBondContact NH2-OE2 2.82Å
60	Y	82.6	Confident	76.6	Confident	64 Å²	64	57.5 Å²	57.5	25%	0.251	33%	0.325	S	S	.	.	H	α-helix	trans	-65.4	-50.6	179.7	178.8	-90.6	0	0	0	111	L23 T24 Q56 L57 S62 R63 G64	L23-Y60 HydrophobicContact CB-CD1 4.07Å; L23-Y60 HydrophobicContact CB-CD2 4.32Å; L23-Y60 HydrophobicContact CB-CE1 4.31Å; L23-Y60 HydrophobicContact CB-CG 4.1Å; L23-Y60 HydrophobicContact CD1-CD2 4.34Å; L23-Y60 HydrophobicContact CD1-CG 4.2Å; T24-Y60 HydrophobicContact CG2-CE2 4.46Å; T24-Y60 VanDerWaalsContact CG2-OH 3.24Å; T24-Y60 WeakPolarHBondContact CG2-OH 3.37Å; Q56-Y60 VanDerWaalsContact O-CB 3.28Å; Q56-Y60 WeakPolarHBondContact O-CB 3.48Å; Q56-Y60 PolarHBondContact O-N 3.41Å; L57-Y60 PolarHBondContact O-N 3.43Å; Y60-S62 PolarHBondContact O-N 2.87Å; Y60-R63 PolarHBondContact O-N 3.46Å; Y60-G64 PolarHBondContact O-N 2.98Å
61	L	82.5	Confident	76.2	Confident	15 Å²	15	58.2 Å²	58.2	8%	0.079	33%	0.329	C	S	.	.	H	α-helix	trans	-64.2	-39.2	-178.7	-69.8	175.3	0	0	0	113.3	L57 L105 F107 V304 V306	L57-L61 HydrophobicContact CD1-CD1 3.73Å; L57-L61 HydrophobicContact CD1-CG 3.96Å; L57-L61 HydrophobicContact CG-CD1 3.93Å; L57-L61 HydrophobicContact CG-CG 4.49Å; L57-L61 WeakPolarHBondContact O-CB 3.25Å; L57-L61 WeakPolarHBondContact O-CG 3.15Å; L57-L61 PolarHBondContact O-N 3.35Å; L61-L105 HydrophobicContact CB-CD1 3.77Å; L61-L105 HydrophobicContact CD1-CD1 3.94Å; L61-F107 HydrophobicContact CB-CZ 4.22Å; L61-V304 HydrophobicContact CD1-CB 4.45Å; L61-V304 HydrophobicContact CD1-CG1 3.88Å; L61-V306 HydrophobicContact CD1-CG2 4.29Å
62	S	81.3	Confident	75.9	Confident	6 Å²	6	58.1 Å²	58.1	4%	0.042	33%	0.327	C	S	.	.	H	α-helix	trans	-75.2	-29	179.7	56.7	0	0	0	0	114	V58 R59 Y60 N72	V58-S62 VanDerWaalsContact O-CB 3.3Å; V58-S62 WeakPolarHBondContact O-CB 3.33Å; V58-S62 PolarHBondContact O-N 2.9Å; V58-S62 PolarHBondContact O-OG 3.42Å; R59-S62 PolarHBondContact O-OG 2.89Å; Y60-S62 PolarHBondContact O-N 2.87Å; S62-N72 PolarHBondContact O-ND2 2.99Å; S62-N72 PolarHBondContact O-OD1 2.58Å
63	R	77.2	Confident	75.7	Confident	137 Å²	137	57.1 Å²	57.1	52%	0.517	33%	0.33	S	S	.	.	H	α-helix	trans	-75.3	-32.4	-179.9	-72	171	-169.4	-155.7	2.6	113.3	R59 Y60 E76	R59-R63 WeakPolarHBondContact O-CB 3.33Å; R59-R63 VanDerWaalsContact O-CD 3.28Å; R59-R63 WeakPolarHBondContact O-CD 3.34Å; R59-R63 WeakPolarHBondContact O-CG 3.38Å; R59-R63 PolarHBondContact O-N 3.22Å; Y60-R63 PolarHBondContact O-N 3.46Å; R63-E76 IonicContact CZ-OE1 2.84Å; R63-E76 IonicContact NH2-OE1 3.94Å; R63-E76 PolarHBondContact NH2-OE1 3.22Å
64	G	63.6	Low	75.7	Confident	43 Å²	43	55.9 Å²	55.9	44%	0.443	32%	0.323	S	S	.	.			trans	58.9	-161.7	176.6	0	0	0	0	0	113.9	Y60	Y60-G64 PolarHBondContact O-N 2.98Å
65	H	53	Low	75.8	Confident	172 Å²	172	55.8 Å²	55.8	80%	0.796	32%	0.322	S	S	*	.	S	Bend	trans	-96	-9.2	-178.9	-74.8	54.4	0	0	0	114.2
66	L	45.1	Very low	75.9	Confident	144 Å²	144	56.6 Å²	56.6	75%	0.754	33%	0.326	S	S	*	.	S	Bend	trans	-142.6	76.6	-168.2	-73.3	173.8	0	0	0	112.6
67	G	48.8	Very low	76.2	Confident	65 Å²	65	53.7 Å²	53.7	67%	0.67	31%	0.314	S	S	*	.			trans	81.8	145.6	165.4	0	0	0	0	0	115.9
68	G	53.8	Low	76.6	Confident	68 Å²	68	53.4 Å²	53.4	70%	0.701	31%	0.313	S	S	*	.			trans	-78.1	121.2	176.7	0	0	0	0	0	111.9
69	S	67.5	Low	77	Confident	44 Å²	44	53.8 Å²	53.8	31%	0.308	32%	0.315	S	S	.	.			trans	-77.7	154.5	169.8	94.3	0	0	0	0	110.8	M71 N72	S69-M71 PolarHBondContact O-N 3.38Å; S69-M71 PolarHBondContact OG-N 3.49Å; S69-N72 VanDerWaalsContact O-CB 3.25Å; S69-N72 WeakPolarHBondContact O-CB 3.43Å; S69-N72 PolarHBondContact O-N 2.96Å; S69-N72 PolarHBondContact OG-N 3.21Å; S69-N72 PolarHBondContact OG-OD1 2.8Å
70	P	70.4	Confident	77.4	Confident	100 Å²	100	51.9 Å²	51.9	65%	0.649	31%	0.313	S	S	*	.	H	α-helix	trans	-59.6	-33.5	174.6	24.2	-33.6	0	0	0	112.3	N72 S73 E74	P70-N72 PolarHBondContact O-N 3.13Å; P70-N72 VanDerWaalsContact O-N 3.17Å; P70-S73 WeakPolarHBondContact O-CB 3.31Å; P70-S73 PolarHBondContact O-N 3.02Å; P70-S73 PolarHBondContact O-OG 2.7Å; P70-E74 PolarHBondContact O-N 3.31Å
71	M	80.1	Confident	78	Confident	25 Å²	25	48.9 Å²	48.9	12%	0.123	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-22.8	176.6	-176.2	177.4	68.4	0	0	112.8	S69 S73 E74 L75 F112 R113 L295	S69-M71 PolarHBondContact O-N 3.38Å; S69-M71 PolarHBondContact OG-N 3.49Å; M71-S73 VanDerWaalsContact C-N 3.31Å; M71-S73 PolarHBondContact O-N 3.48Å; M71-E74 PolarHBondContact O-N 2.97Å; M71-L75 WeakPolarHBondContact O-CB 3.35Å; M71-L75 PolarHBondContact O-N 3.29Å; M71-F112 HydrophobicContact CE-CD1 3.59Å; M71-F112 HydrophobicContact CE-CD2 4.48Å; M71-F112 HydrophobicContact CE-CE1 3.29Å; M71-F112 HydrophobicContact CE-CE2 4.23Å; M71-F112 HydrophobicContact CE-CG 4.18Å; M71-F112 HydrophobicContact CE-CZ 3.63Å; M71-F112 HydrophobicContact CG-CE1 4.29Å; M71-F112 HydrophobicContact SD-CE1 4.45Å; M71-R113 WeakPolarHBondContact CE-O 3.37Å; M71-L295 HydrophobicContact CG-CD2 3.91Å
72	N	82.7	Confident	78.6	Confident	13 Å²	13	48.4 Å²	48.4	7%	0.07	30%	0.299	C	S	.	.	H	α-helix	trans	-66.2	-36.9	173	-57.9	14.7	0	0	0	110.7	S62 S69 P70 E76 F112	S62-N72 PolarHBondContact O-ND2 2.99Å; S62-N72 PolarHBondContact O-OD1 2.58Å; S69-N72 VanDerWaalsContact O-CB 3.25Å; S69-N72 WeakPolarHBondContact O-CB 3.43Å; S69-N72 PolarHBondContact O-N 2.96Å; S69-N72 PolarHBondContact OG-N 3.21Å; S69-N72 PolarHBondContact OG-OD1 2.8Å; P70-N72 PolarHBondContact O-N 3.13Å; P70-N72 VanDerWaalsContact O-N 3.17Å; N72-E76 WeakPolarHBondContact O-CG 3.37Å; N72-E76 PolarHBondContact O-N 3.37Å; N72-E76 VanDerWaalsContact O-N 3.08Å; N72-F112 WeakPolarHBondContact OD1-CD1 3.32Å
73	S	86	Confident	79.2	Confident	66 Å²	66	49.7 Å²	49.7	46%	0.462	30%	0.304	S	S	.	.	H	α-helix	trans	-75.1	-32.5	175.6	72.4	0	0	0	0	112.5	P70 M71 L75 S77	P70-S73 WeakPolarHBondContact O-CB 3.31Å; P70-S73 PolarHBondContact O-N 3.02Å; P70-S73 PolarHBondContact O-OG 2.7Å; M71-S73 VanDerWaalsContact C-N 3.31Å; M71-S73 PolarHBondContact O-N 3.48Å; S73-L75 VanDerWaalsContact C-N 3.35Å; S73-S77 VanDerWaalsContact O-CB 3.32Å; S73-S77 WeakPolarHBondContact O-CB 3.45Å; S73-S77 PolarHBondContact O-N 2.99Å; S73-S77 PolarHBondContact O-OG 3.33Å
74	E	90.5	Very high	80.1	Confident	18 Å²	18	43.4 Å²	43.4	8%	0.084	28%	0.281	C	S	.	.	H	α-helix	trans	-67	-36.6	172.4	-68.7	174.2	129.6	0	0	111.1	P70 M71 S77 A78 L193 K194 L295	P70-E74 PolarHBondContact O-N 3.31Å; M71-E74 PolarHBondContact O-N 2.97Å; E74-S77 PolarHBondContact O-N 3.36Å; E74-A78 WeakPolarHBondContact O-CB 3.23Å; E74-A78 PolarHBondContact O-N 2.75Å; E74-L193 HydrophobicContact CB-CD2 3.9Å; E74-L193 HydrophobicContact CG-CD2 4.42Å; E74-K194 IonicContact OE1-NZ 3.22Å; E74-K194 PolarHBondContact OE1-NZ 3.09Å; E74-L295 HydrophobicContact CB-CD2 4.19Å
75	L	91.5	Very high	81.7	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-68.9	-45.6	174.6	-176.8	61.1	0	0	0	112.7	V58 M71 S73 S77 A78 M79 F103 L105 F112 A115 L295	V58-L75 HydrophobicContact CG1-CD1 4.44Å; V58-L75 HydrophobicContact CG1-CD2 3.6Å; V58-L75 HydrophobicContact CG1-CG 4.04Å; M71-L75 WeakPolarHBondContact O-CB 3.35Å; M71-L75 PolarHBondContact O-N 3.29Å; S73-L75 VanDerWaalsContact C-N 3.35Å; L75-S77 VanDerWaalsContact C-N 3.26Å; L75-S77 PolarHBondContact O-N 3.01Å; L75-A78 WeakPolarHBondContact O-CB 3.31Å; L75-A78 PolarHBondContact O-N 3.34Å; L75-M79 HydrophobicContact CD1-SD 4.49Å; L75-M79 HydrophobicContact CG-SD 4.17Å; L75-M79 VanDerWaalsContact O-CG 3.28Å; L75-M79 WeakPolarHBondContact O-CG 3.09Å; L75-M79 PolarHBondContact O-N 3.32Å; L75-F103 HydrophobicContact CD1-CD1 4.49Å; L75-L105 HydrophobicContact CD2-CD2 4.01Å; L75-F112 HydrophobicContact CD2-CE1 4.29Å; L75-F112 HydrophobicContact CD2-CZ 3.9Å; L75-A115 HydrophobicContact CD1-CB 4.41Å; L75-L295 HydrophobicContact CB-CD2 4.05Å; L75-L295 HydrophobicContact CD1-CD1 3.87Å; L75-L295 HydrophobicContact CD1-CD2 4.47Å
76	E	91	Very high	83.7	Confident	36 Å²	36	33.4 Å²	33.4	17%	0.168	22%	0.223	C	C	.	.	H	α-helix	trans	-57.6	-40.1	172.7	-68.4	-96.6	-150.2	0	0	111.6	R59 R63 N72 M79 T80	R59-E76 WeakPolarHBondContact CG-OE1 3.07Å; R59-E76 IonicContact CZ-OE2 3.31Å; R59-E76 VanDerWaalsContact NE-CD 3.3Å; R59-E76 IonicContact NE-OE1 3.24Å; R59-E76 PolarHBondContact NE-OE1 2.93Å; R59-E76 VanDerWaalsContact NE-OE1 3.14Å; R59-E76 IonicContact NE-OE2 3.29Å; R59-E76 PolarHBondContact NE-OE2 2.72Å; R59-E76 IonicContact NH2-OE2 2.68Å; R59-E76 PolarHBondContact NH2-OE2 2.82Å; R63-E76 IonicContact CZ-OE1 2.84Å; R63-E76 IonicContact NH2-OE1 3.94Å; R63-E76 PolarHBondContact NH2-OE1 3.22Å; N72-E76 WeakPolarHBondContact O-CG 3.37Å; N72-E76 PolarHBondContact O-N 3.37Å; N72-E76 VanDerWaalsContact O-N 3.08Å; E76-M79 PolarHBondContact O-N 3.25Å; E76-T80 PolarHBondContact O-N 3.19Å; E76-T80 VanDerWaalsContact O-N 3.14Å; E76-T80 PolarHBondContact O-OG1 2.87Å
77	S	93.9	Very high	86	Confident	17 Å²	17	26.5 Å²	26.5	12%	0.119	19%	0.187	C	C	.	.	H	α-helix	trans	-66.7	-43.3	175.5	-58.9	0	0	0	0	111.9	S73 E74 L75 M79 T80 I81 A192	S73-S77 VanDerWaalsContact O-CB 3.32Å; S73-S77 WeakPolarHBondContact O-CB 3.45Å; S73-S77 PolarHBondContact O-N 2.99Å; S73-S77 PolarHBondContact O-OG 3.33Å; E74-S77 PolarHBondContact O-N 3.36Å; L75-S77 VanDerWaalsContact C-N 3.26Å; L75-S77 PolarHBondContact O-N 3.01Å; S77-M79 VanDerWaalsContact C-N 3.31Å; S77-M79 PolarHBondContact O-N 3.42Å; S77-T80 WeakPolarHBondContact O-CB 3.24Å; S77-T80 PolarHBondContact O-N 3Å; S77-I81 PolarHBondContact O-N 3.23Å; S77-A192 VanDerWaalsContact OG-CB 3.28Å; S77-A192 WeakPolarHBondContact OG-CB 3.36Å
78	A	94.8	Very high	88	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57.7	-45.5	175.2	0	0	0	0	0	111.2	E74 L75 T80 I81 L82 L193 I291 L295	E74-A78 WeakPolarHBondContact O-CB 3.23Å; E74-A78 PolarHBondContact O-N 2.75Å; L75-A78 WeakPolarHBondContact O-CB 3.31Å; L75-A78 PolarHBondContact O-N 3.34Å; A78-T80 VanDerWaalsContact C-N 3.3Å; A78-T80 PolarHBondContact O-N 2.85Å; A78-I81 PolarHBondContact O-N 3.45Å; A78-L82 WeakPolarHBondContact O-CB 3.19Å; A78-L82 WeakPolarHBondContact O-CD1 3.4Å; A78-L82 WeakPolarHBondContact O-CG 3Å; A78-L82 PolarHBondContact O-N 3.05Å; A78-L193 HydrophobicContact CB-CD1 4.02Å; A78-I291 HydrophobicContact CB-CB 4.46Å; A78-I291 HydrophobicContact CB-CD1 4.03Å; A78-I291 HydrophobicContact CB-CG1 4.02Å; A78-I291 HydrophobicContact CB-CG2 3.6Å; A78-L295 HydrophobicContact CB-CD1 4.48Å
79	M	93.9	Very high	89.8	Confident	9 Å²	9	21.2 Å²	21.2	4%	0.044	13%	0.126	C	C	.	.	H	α-helix	trans	-61.4	-39.2	178.3	-66	161	76.2	0	0	111.9	K55 V58 L75 E76 S77 L82 E83 F103	K55-M79 HydrophobicContact CB-CE 3.97Å; K55-M79 HydrophobicContact CG-CE 3.81Å; V58-M79 HydrophobicContact CB-CE 3.94Å; V58-M79 HydrophobicContact CB-SD 4.35Å; V58-M79 HydrophobicContact CG1-CE 3.97Å; V58-M79 HydrophobicContact CG1-SD 3.71Å; L75-M79 HydrophobicContact CD1-SD 4.49Å; L75-M79 HydrophobicContact CG-SD 4.17Å; L75-M79 VanDerWaalsContact O-CG 3.28Å; L75-M79 WeakPolarHBondContact O-CG 3.09Å; L75-M79 PolarHBondContact O-N 3.32Å; E76-M79 PolarHBondContact O-N 3.25Å; S77-M79 VanDerWaalsContact C-N 3.31Å; S77-M79 PolarHBondContact O-N 3.42Å; M79-L82 PolarHBondContact O-N 2.93Å; M79-E83 PolarHBondContact O-N 2.86Å; M79-F103 HydrophobicContact CG-CE1 3.62Å; M79-F103 HydrophobicContact CG-CZ 3.92Å; M79-F103 HydrophobicContact SD-CE1 4.47Å
80	T	94.5	Very high	90.6	Very high	47 Å²	47	19.1 Å²	19.1	29%	0.288	11%	0.112	S	C	.	.	H	α-helix	trans	-63.2	-44.6	176	-55.4	0	0	0	0	112	E76 S77 A78 S84 L185 A189	E76-T80 PolarHBondContact O-N 3.19Å; E76-T80 VanDerWaalsContact O-N 3.14Å; E76-T80 PolarHBondContact O-OG1 2.87Å; S77-T80 WeakPolarHBondContact O-CB 3.24Å; S77-T80 PolarHBondContact O-N 3Å; A78-T80 VanDerWaalsContact C-N 3.3Å; A78-T80 PolarHBondContact O-N 2.85Å; T80-S84 PolarHBondContact O-N 2.74Å; T80-L185 HydrophobicContact CG2-CB 4.48Å; T80-A189 HydrophobicContact CG2-CB 4.2Å
81	I	96.4	Very high	91.2	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-61.2	-48.1	173.4	-64.4	163.6	0	0	0	110.6	S77 A78 E83 S84 F85 L186 A189 L190 L193 L287	S77-I81 PolarHBondContact O-N 3.23Å; A78-I81 PolarHBondContact O-N 3.45Å; I81-E83 VanDerWaalsContact C-N 3.31Å; I81-E83 PolarHBondContact O-N 2.92Å; I81-S84 WeakPolarHBondContact O-CB 3.39Å; I81-S84 PolarHBondContact O-N 3.04Å; I81-S84 VanDerWaalsContact O-N 3.1Å; I81-F85 HydrophobicContact CG2-CD2 3.8Å; I81-F85 HydrophobicContact CG2-CE2 4.09Å; I81-F85 WeakPolarHBondContact O-CD2 3.35Å; I81-F85 PolarHBondContact O-N 3.07Å; I81-L186 HydrophobicContact CB-CD1 4.22Å; I81-L186 HydrophobicContact CG1-CD1 3.86Å; I81-L186 HydrophobicContact CG2-CD1 4.41Å; I81-A189 HydrophobicContact CD1-CB 4.43Å; I81-A189 HydrophobicContact CG1-CB 4Å; I81-L190 HydrophobicContact CD1-CD2 3.83Å; I81-L190 HydrophobicContact CD1-CG 4.39Å; I81-L190 HydrophobicContact CG1-CD2 4.14Å; I81-L190 HydrophobicContact CG1-CG 4.45Å; I81-L193 HydrophobicContact CD1-CD1 3.45Å; I81-L193 VanDerWaalsContact CD1-CD1 3.45Å; I81-L287 HydrophobicContact CG2-CD1 4.44Å; I81-L287 HydrophobicContact CG2-CD2 4.5Å
82	L	95.5	Very high	91.3	Very high	5 Å²	5	18.3 Å²	18.3	3%	0.026	11%	0.106	C	C	.	.	H	α-helix	trans	-63	-37.1	-175.9	-66.6	160.8	0	0	0	111.6	A78 M79 T86 F103 V117 L119 V288 I291	A78-L82 WeakPolarHBondContact O-CB 3.19Å; A78-L82 WeakPolarHBondContact O-CD1 3.4Å; A78-L82 WeakPolarHBondContact O-CG 3Å; A78-L82 PolarHBondContact O-N 3.05Å; M79-L82 PolarHBondContact O-N 2.93Å; L82-T86 VanDerWaalsContact O-CB 3.32Å; L82-T86 WeakPolarHBondContact O-CB 3.17Å; L82-T86 PolarHBondContact O-N 2.82Å; L82-T86 PolarHBondContact O-OG1 3.28Å; L82-F103 HydrophobicContact CD1-CE1 4.13Å; L82-F103 HydrophobicContact CD1-CZ 4.36Å; L82-V117 HydrophobicContact CD1-CG1 3.76Å; L82-V117 HydrophobicContact CD1-CG2 4.49Å; L82-L119 HydrophobicContact CD2-CD1 3.88Å; L82-L119 HydrophobicContact CD2-CD2 4.17Å; L82-L119 HydrophobicContact CD2-CG 4.18Å; L82-V288 HydrophobicContact CD2-CG2 4.13Å; L82-I291 HydrophobicContact CD1-CD1 4.48Å; L82-I291 HydrophobicContact CD2-CD1 4.25Å; L82-I291 HydrophobicContact CG-CD1 4.18Å
83	E	93.6	Very high	91.4	Very high	33 Å²	33	19.6 Å²	19.6	15%	0.154	11%	0.113	C	C	.	.	H	α-helix	trans	-63.5	-45.2	171.3	-73	-166.8	-101.3	0	0	112.6	K55 M79 I81 F85 N87 N95	K55-E83 WeakPolarHBondContact CE-OE1 3.49Å; K55-E83 WeakPolarHBondContact CE-OE2 3.35Å; K55-E83 IonicContact NZ-OE1 2.71Å; K55-E83 PolarHBondContact NZ-OE1 2.79Å; K55-E83 IonicContact NZ-OE2 3.64Å; K55-E83 PolarHBondContact NZ-OE2 3.22Å; M79-E83 PolarHBondContact O-N 2.86Å; I81-E83 VanDerWaalsContact C-N 3.31Å; I81-E83 PolarHBondContact O-N 2.92Å; E83-F85 VanDerWaalsContact C-N 3.33Å; E83-F85 PolarHBondContact O-N 3.45Å; E83-N87 WeakPolarHBondContact O-CA 3.41Å; E83-N87 WeakPolarHBondContact O-CB 3.29Å; E83-N87 PolarHBondContact O-N 2.76Å; E83-N87 PolarHBondContact OE2-ND2 3.17Å; E83-N95 PolarHBondContact OE2-ND2 3.41Å
84	S	95.6	Very high	91.5	Very high	5 Å²	5	18.4 Å²	18.4	4%	0.035	10%	0.102	C	C	.	.	H	α-helix	trans	-58.1	-43.6	177.4	-76.1	0	0	0	0	112.9	T80 I81 H138 V139 Q142	T80-S84 PolarHBondContact O-N 2.74Å; I81-S84 WeakPolarHBondContact O-CB 3.39Å; I81-S84 PolarHBondContact O-N 3.04Å; I81-S84 VanDerWaalsContact O-N 3.1Å; S84-H138 PolarHBondContact O-N 2.94Å; S84-V139 WeakPolarHBondContact O-CB 3.35Å; S84-V139 PolarHBondContact O-N 2.74Å; S84-Q142 PolarHBondContact OG-NE2 2.99Å; S84-Q142 PolarHBondContact OG-OE1 3.04Å
85	F	96.6	Very high	91.5	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.018	10%	0.104	C	C	.	.	H	α-helix	trans	-88.1	-17.6	-176.3	-79.8	-94.7	0	0	0	114.9	I81 E83 F137 V139 L186 I203 L207 Y280 L283 V284 L287	I81-F85 HydrophobicContact CG2-CD2 3.8Å; I81-F85 HydrophobicContact CG2-CE2 4.09Å; I81-F85 WeakPolarHBondContact O-CD2 3.35Å; I81-F85 PolarHBondContact O-N 3.07Å; E83-F85 VanDerWaalsContact C-N 3.33Å; E83-F85 PolarHBondContact O-N 3.45Å; F85-F137 VanDerWaalsContact O-CD1 3.32Å; F85-F137 WeakPolarHBondContact O-CD1 3.13Å; F85-V139 HydrophobicContact CD1-CB 4.44Å; F85-V139 HydrophobicContact CD1-CG1 4.06Å; F85-V139 HydrophobicContact CD1-CG2 4.4Å; F85-V139 HydrophobicContact CD2-CB 4.44Å; F85-V139 HydrophobicContact CD2-CG2 4.26Å; F85-V139 HydrophobicContact CE1-CB 4.49Å; F85-V139 HydrophobicContact CE1-CG1 4.24Å; F85-V139 HydrophobicContact CE1-CG2 3.98Å; F85-V139 HydrophobicContact CE2-CB 4.49Å; F85-V139 HydrophobicContact CE2-CG2 3.83Å; F85-V139 HydrophobicContact CG-CB 4.43Å; F85-V139 HydrophobicContact CG-CG1 4.4Å; F85-V139 HydrophobicContact CZ-CG2 3.68Å; F85-L186 HydrophobicContact CE2-CD1 4.26Å; F85-L186 HydrophobicContact CE2-CD2 4.43Å; F85-I203 HydrophobicContact CE1-CG2 4.38Å; F85-I203 HydrophobicContact CZ-CG2 3.74Å; F85-L207 HydrophobicContact CE1-CD1 4.16Å; F85-L207 HydrophobicContact CE1-CD2 4.13Å; F85-L207 HydrophobicContact CZ-CD1 4.17Å; F85-Y280 HydrophobicContact CD1-CE2 4.38Å; F85-Y280 PolarHBondContact O-OH 3.11Å; F85-L283 HydrophobicContact CE1-CD2 4.02Å; F85-L283 HydrophobicContact CE1-CG 4.34Å; F85-V284 HydrophobicContact CB-CG2 4.27Å; F85-V284 HydrophobicContact CD1-CG2 4.16Å; F85-L287 HydrophobicContact CD1-CD1 3.72Å; F85-L287 HydrophobicContact CD2-CD1 3.88Å; F85-L287 HydrophobicContact CE1-CD1 3.55Å; F85-L287 HydrophobicContact CE2-CD1 3.73Å; F85-L287 HydrophobicContact CG-CD1 3.88Å; F85-L287 HydrophobicContact CZ-CD1 3.55Å
86	T	95	Very high	91.4	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-126.5	-4.4	-175.2	72.9	0	0	0	0	115.5	L82 R98 C99 K101 L119 L122 V284	L82-T86 VanDerWaalsContact O-CB 3.32Å; L82-T86 WeakPolarHBondContact O-CB 3.17Å; L82-T86 PolarHBondContact O-N 2.82Å; L82-T86 PolarHBondContact O-OG1 3.28Å; T86-R98 WeakPolarHBondContact O-CA 3.25Å; T86-R98 WeakPolarHBondContact O-CB 3.29Å; T86-R98 PolarHBondContact O-N 2.86Å; T86-C99 HydrophobicContact CG2-CB 3.9Å; T86-K101 WeakPolarHBondContact OG1-CE 3.42Å; T86-L119 HydrophobicContact CG2-CD1 3.87Å; T86-L122 HydrophobicContact CG2-CD1 4.45Å; T86-V284 HydrophobicContact CG2-CG1 4.43Å
87	N	93.7	Very high	91.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	150.3	171.5	-60.7	9.6	0	0	0	111.7	E83 N95 S96 T97 K101 F137 H138	E83-N87 WeakPolarHBondContact O-CA 3.41Å; E83-N87 WeakPolarHBondContact O-CB 3.29Å; E83-N87 PolarHBondContact O-N 2.76Å; E83-N87 PolarHBondContact OE2-ND2 3.17Å; N87-N95 VanDerWaalsContact ND2-CG 3.33Å; N87-N95 PolarHBondContact ND2-ND2 3.07Å; N87-N95 PolarHBondContact ND2-OD1 3.2Å; N87-S96 CarbonylContact C-O 3.57Å; N87-S96 WeakPolarHBondContact CA-O 3.09Å; N87-T97 WeakPolarHBondContact OD1-CA 3.4Å; N87-T97 PolarHBondContact OD1-OG1 2.74Å; N87-K101 PolarHBondContact OD1-NZ 3.05Å; N87-F137 WeakPolarHBondContact O-CA 3.29Å; N87-H138 PolarHBondContact O-N 2.93Å
88	A	92.1	Very high	91.3	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	164.3	174.5	0	0	0	0	0	111.5	S96 R98 N136	A88-S96 PolarHBondContact N-O 3.06Å; A88-S96 WeakPolarHBondContact O-CA 3.3Å; A88-S96 WeakPolarHBondContact O-CB 3.18Å; A88-S96 PolarHBondContact O-N 2.59Å; A88-R98 HydrophobicContact CB-CG 3.99Å; A88-N136 WeakPolarHBondContact CB-O 3.22Å
89	K	90.3	Very high	91.1	Very high	22 Å²	22	16.6 Å²	16.6	10%	0.096	9%	0.093	C	C	.	.			trans	-80.8	117.8	172.3	-178.9	-157.9	-176.9	-166	0	109.1	D94 Q133 E134 R135 L174	K89-D94 HydrophobicContact CG-CB 4.35Å; K89-Q133 WeakPolarHBondContact CD-O 3.27Å; K89-Q133 VanDerWaalsContact CE-O 3.29Å; K89-Q133 WeakPolarHBondContact CE-O 3.4Å; K89-Q133 PolarHBondContact NZ-O 3.2Å; K89-E134 WeakPolarHBondContact O-CA 3.45Å; K89-E134 VanDerWaalsContact O-CB 3.3Å; K89-E134 WeakPolarHBondContact O-CB 3.5Å; K89-R135 HydrophobicContact CB-CB 3.84Å; K89-R135 HydrophobicContact CB-CG 3.86Å; K89-R135 HydrophobicContact CD-CG 3.91Å; K89-R135 PolarHBondContact O-N 3.46Å; K89-L174 HydrophobicContact CD-CD2 3.59Å; K89-L174 HydrophobicContact CD-CG 4.29Å; K89-L174 HydrophobicContact CG-CD2 3.91Å
90	T	85.6	Confident	90.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.091	C	C	.	.			trans	-102.9	168.7	163.4	68.2	0	0	0	0	110.6	I46 A92 N93 E134	I46-T90 HydrophobicContact CD1-CG2 4.33Å; I46-T90 WeakPolarHBondContact CD1-OG1 3.4Å; T90-A92 PolarHBondContact O-N 3.22Å; T90-A92 PolarHBondContact OG1-N 2.72Å; T90-N93 PolarHBondContact N-O 3.27Å; T90-N93 PolarHBondContact O-N 3.07Å; T90-N93 PolarHBondContact OG1-N 2.8Å; T90-N93 VanDerWaalsContact OG1-N 3.07Å; T90-N93 PolarHBondContact OG1-O 2.83Å; T90-E134 VanDerWaalsContact CA-OE1 3.29Å; T90-E134 WeakPolarHBondContact CA-OE1 3.45Å; T90-E134 WeakPolarHBondContact CB-OE1 3.35Å
91	N	82.5	Confident	90.7	Very high	79 Å²	79	14.3 Å²	14.3	42%	0.422	8%	0.079	S	C	.	.	S	Bend	trans	-56.7	-36.6	173.2	-77.7	-82.2	0	0	0	112	K132 E134 Y315 K515	N91-K132 PolarHBondContact ND2-O 2.91Å; N91-K132 VanDerWaalsContact ND2-O 3.13Å; N91-E134 PolarHBondContact N-OE1 2.7Å; N91-E134 WeakPolarHBondContact ND2-CG 3.28Å; N91-E134 PolarHBondContact ND2-OE1 3.13Å; N91-Y315 HydrophobicContact CB-CE1 4.39Å; N91-K515 VanDerWaalsContact O-CE 3.29Å; N91-K515 WeakPolarHBondContact O-CE 3.47Å; N91-K515 PolarHBondContact O-NZ 3.32Å
92	A	81.3	Confident	90.5	Very high	29 Å²	29	14.3 Å²	14.3	24%	0.24	8%	0.079	C	C	.	.	S	Bend	trans	-85.2	-29.9	-179	0	0	0	0	0	115	I46 T90 Y315 K515	I46-A92 HydrophobicContact CB-CB 4.42Å; I46-A92 HydrophobicContact CD1-CB 4.18Å; I46-A92 HydrophobicContact CG1-CB 4.06Å; I46-A92 HydrophobicContact CG2-CB 3.57Å; T90-A92 PolarHBondContact O-N 3.22Å; T90-A92 PolarHBondContact OG1-N 2.72Å; A92-Y315 HydrophobicContact CB-CE1 4.07Å; A92-K515 VanDerWaalsContact O-CE 3.25Å; A92-K515 WeakPolarHBondContact O-CE 3.48Å
93	N	85.7	Confident	90.3	Very high	40 Å²	40	14.4 Å²	14.4	21%	0.214	8%	0.079	C	C	.	.			trans	-145.3	127.5	-178.1	178.1	11	0	0	0	111.3	I46 T90 N95 S96	I46-N93 HydrophobicContact CG1-CB 4.14Å; T90-N93 PolarHBondContact N-O 3.27Å; T90-N93 PolarHBondContact O-N 3.07Å; T90-N93 PolarHBondContact OG1-N 2.8Å; T90-N93 VanDerWaalsContact OG1-N 3.07Å; T90-N93 PolarHBondContact OG1-O 2.83Å; N93-N95 VanDerWaalsContact C-N 3.32Å; N93-N95 PolarHBondContact ND2-O 3.43Å; N93-N95 VanDerWaalsContact ND2-O 3.11Å; N93-N95 PolarHBondContact O-N 3.38Å; N93-N95 PolarHBondContact OD1-N 3.02Å; N93-S96 WeakPolarHBondContact ND2-CA 3.46Å
94	D	87.6	Confident	90.1	Very high	40 Å²	40	13.9 Å²	13.9	21%	0.214	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-15.5	-175.8	-56.4	-53.4	0	0	0	113.7	K89 H138 L174 K515	K89-D94 HydrophobicContact CG-CB 4.35Å; D94-H138 PolarHBondContact O-CE1 3.48Å; D94-H138 VanDerWaalsContact O-CE1 3.29Å; D94-H138 PolarHBondContact O-NE2 2.82Å; D94-L174 HydrophobicContact CB-CD1 4.48Å; D94-L174 HydrophobicContact CB-CD2 3.9Å; D94-K515 IonicContact OD1-NZ 2.67Å; D94-K515 PolarHBondContact OD1-NZ 2.99Å; D94-K515 IonicContact OD2-NZ 3.73Å; D94-K515 PolarHBondContact OD2-NZ 2.95Å
95	N	90.3	Very high	89.8	Confident	27 Å²	27	13.7 Å²	13.7	14%	0.144	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.5	60.8	171.9	-171.5	44.6	0	0	0	109.6	E83 N87 N93 H138 K177	E83-N95 PolarHBondContact OE2-ND2 3.41Å; N87-N95 VanDerWaalsContact ND2-CG 3.33Å; N87-N95 PolarHBondContact ND2-ND2 3.07Å; N87-N95 PolarHBondContact ND2-OD1 3.2Å; N93-N95 VanDerWaalsContact C-N 3.32Å; N93-N95 PolarHBondContact ND2-O 3.43Å; N93-N95 VanDerWaalsContact ND2-O 3.11Å; N93-N95 PolarHBondContact O-N 3.38Å; N93-N95 PolarHBondContact OD1-N 3.02Å; N95-H138 PolarHBondContact OD1-CD2 3.31Å; N95-H138 PolarHBondContact OD1-NE2 3.22Å; N95-K177 PolarHBondContact OD1-NZ 3.01Å
96	S	89.8	Confident	89.3	Confident	4 Å²	4	16.1 Å²	16.1	3%	0.028	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	118.5	-177	-163.5	0	0	0	0	111.8	N87 A88 N93 R98	N87-S96 CarbonylContact C-O 3.57Å; N87-S96 WeakPolarHBondContact CA-O 3.09Å; A88-S96 PolarHBondContact N-O 3.06Å; A88-S96 WeakPolarHBondContact O-CA 3.3Å; A88-S96 WeakPolarHBondContact O-CB 3.18Å; A88-S96 PolarHBondContact O-N 2.59Å; N93-S96 WeakPolarHBondContact ND2-CA 3.46Å; S96-R98 WeakPolarHBondContact O-CG 3.21Å; S96-R98 PolarHBondContact O-N 2.95Å
97	T	92	Very high	88.7	Confident	2 Å²	2	16.8 Å²	16.8	1%	0.012	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.7	125	161.9	-68.6	0	0	0	0	110	S51 N87 C99 K101 D308	S51-T97 PolarHBondContact OG-OG1 2.88Å; N87-T97 WeakPolarHBondContact OD1-CA 3.4Å; N87-T97 PolarHBondContact OD1-OG1 2.74Å; T97-C99 WeakPolarHBondContact CG2-O 3.47Å; T97-K101 HydrophobicContact CG2-CD 4.4Å; T97-K101 PolarHBondContact OG1-NZ 3.23Å; T97-D308 PolarHBondContact OG1-OD2 2.88Å
98	R	90.9	Very high	87.9	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.102	C	C	.	.			trans	-121	18.6	177.3	-52.9	-50.3	-58	157.3	-19.5	113.3	T86 A88 S96 E123 F137 E313	T86-R98 WeakPolarHBondContact O-CA 3.25Å; T86-R98 WeakPolarHBondContact O-CB 3.29Å; T86-R98 PolarHBondContact O-N 2.86Å; A88-R98 HydrophobicContact CB-CG 3.99Å; S96-R98 WeakPolarHBondContact O-CG 3.21Å; S96-R98 PolarHBondContact O-N 2.95Å; R98-E123 HydrophobicContact CB-CB 4.06Å; R98-E123 WeakPolarHBondContact CG-OE2 3.34Å; R98-E123 IonicContact CZ-OE1 2.97Å; R98-E123 IonicContact CZ-OE2 2.98Å; R98-E123 VanDerWaalsContact NE-CD 3.28Å; R98-E123 IonicContact NE-OE1 2.76Å; R98-E123 PolarHBondContact NE-OE1 3.14Å; R98-E123 IonicContact NE-OE2 2.63Å; R98-E123 PolarHBondContact NE-OE2 3.2Å; R98-E123 IonicContact NH2-OE1 2.79Å; R98-E123 PolarHBondContact NH2-OE1 2.91Å; R98-E123 IonicContact NH2-OE2 2.86Å; R98-E123 WeakPolarHBondContact O-CB 3.46Å; R98-E123 PolarHBondContact O-N 2.91Å; R98-F137 HydrophobicContact CB-CE1 4.07Å; R98-E313 IonicContact CZ-OE1 2.76Å; R98-E313 IonicContact NH1-OE1 2.7Å; R98-E313 PolarHBondContact NH1-OE1 2.75Å; R98-E313 IonicContact NH2-OE1 3.27Å; R98-E313 PolarHBondContact NH2-OE1 3.01Å; R98-E313 IonicContact NH2-OE2 3.8Å
99	C	90.2	Very high	87	Confident	2 Å²	2	24.2 Å²	24.2	1%	0.014	12%	0.122	C	C	.	.	S	Bend	trans	-151.2	135.5	174	-173.5	0	0	0	0	107.4	T86 T97 K101 I120 L122	T86-C99 HydrophobicContact CG2-CB 3.9Å; T97-C99 WeakPolarHBondContact CG2-O 3.47Å; C99-K101 PolarHBondContact O-N 2.99Å; C99-I120 PolarHBondContact SG-O 3.23Å; C99-L122 HydrophobicContact CB-CB 4.31Å; C99-L122 HydrophobicContact CB-CD1 3.82Å
100	A	89.1	Confident	86	Confident	0 Å²	0	32 Å²	32	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	130.3	176	0	0	0	0	0	110.2	L119 I120 D308 M309	A100-L119 WeakPolarHBondContact O-CA 3.48Å; A100-I120 HydrophobicContact CB-CB 4.28Å; A100-I120 WeakPolarHBondContact CB-O 3.37Å; A100-I120 PolarHBondContact N-O 2.99Å; A100-I120 PolarHBondContact O-N 3.06Å; A100-D308 WeakPolarHBondContact CA-O 3.48Å; A100-M309 HydrophobicContact CB-CB 4.48Å; A100-M309 HydrophobicContact CB-CG 3.72Å; A100-M309 HydrophobicContact CB-SD 3.5Å; A100-M309 VanDerWaalsContact CB-SD 3.5Å
101	K	91.7	Very high	85.5	Confident	7 Å²	7	36.4 Å²	36.4	3%	0.03	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	119.2	179.4	-59.3	156.9	-171.8	161.6	0	108.7	T86 N87 T97 C99 F103 L119 D308	T86-K101 WeakPolarHBondContact OG1-CE 3.42Å; N87-K101 PolarHBondContact OD1-NZ 3.05Å; T97-K101 HydrophobicContact CG2-CD 4.4Å; T97-K101 PolarHBondContact OG1-NZ 3.23Å; C99-K101 PolarHBondContact O-N 2.99Å; K101-F103 HydrophobicContact CB-CD2 4.36Å; K101-F103 HydrophobicContact CB-CE2 3.6Å; K101-F103 HydrophobicContact CB-CZ 4.03Å; K101-F103 HydrophobicContact CD-CE2 4.48Å; K101-F103 HydrophobicContact CD-CZ 4.47Å; K101-L119 HydrophobicContact CB-CD2 4.22Å; K101-L119 HydrophobicContact CG-CD2 3.63Å; K101-D308 HydrophobicContact CB-CB 4.38Å; K101-D308 PolarHBondContact N-O 3.34Å; K101-D308 IonicContact NZ-OD2 3.56Å; K101-D308 PolarHBondContact O-N 3.43Å
102	V	91.2	Very high	85.4	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	116.9	178.4	-177.2	0	0	0	0	107.7	N104 V117 S118 I120 T305 V307 W497	V102-N104 WeakPolarHBondContact CG1-OD1 3.43Å; V102-V117 CarbonylContact O-C 3.56Å; V102-V117 WeakPolarHBondContact O-CA 3.14Å; V102-S118 PolarHBondContact N-O 3.01Å; V102-S118 PolarHBondContact O-N 3.03Å; V102-I120 HydrophobicContact CG2-CD1 3.98Å; V102-I120 HydrophobicContact CG2-CG1 4.37Å; V102-T305 HydrophobicContact CG1-CG2 3.55Å; V102-V307 HydrophobicContact CG1-CG2 4.41Å; V102-V307 HydrophobicContact CG2-CG1 4.34Å; V102-V307 HydrophobicContact CG2-CG2 4.44Å; V102-W497 HydrophobicContact CG1-CE3 4.39Å; V102-W497 HydrophobicContact CG1-CZ3 4.22Å; V102-W497 HydrophobicContact CG2-CZ3 4.45Å
103	F	91.7	Very high	85.5	Confident	7 Å²	7	38 Å²	38	3%	0.031	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	99.6	-179.7	-60.9	-89	0	0	0	109.6	V58 L75 M79 L82 K101 V117 T305 V306	V58-F103 HydrophobicContact CG2-CB 4.17Å; V58-F103 HydrophobicContact CG2-CD2 4.35Å; V58-F103 HydrophobicContact CG2-CG 4.21Å; L75-F103 HydrophobicContact CD1-CD1 4.49Å; M79-F103 HydrophobicContact CG-CE1 3.62Å; M79-F103 HydrophobicContact CG-CZ 3.92Å; M79-F103 HydrophobicContact SD-CE1 4.47Å; L82-F103 HydrophobicContact CD1-CE1 4.13Å; L82-F103 HydrophobicContact CD1-CZ 4.36Å; K101-F103 HydrophobicContact CB-CD2 4.36Å; K101-F103 HydrophobicContact CB-CE2 3.6Å; K101-F103 HydrophobicContact CB-CZ 4.03Å; K101-F103 HydrophobicContact CD-CE2 4.48Å; K101-F103 HydrophobicContact CD-CZ 4.47Å; F103-V117 HydrophobicContact CD1-CG1 4.36Å; F103-V117 HydrophobicContact CD1-CG2 3.84Å; F103-V117 HydrophobicContact CE1-CG1 4.23Å; F103-V117 HydrophobicContact CE1-CG2 4.06Å; F103-T305 CarbonylContact O-C 3.46Å; F103-T305 WeakPolarHBondContact O-CA 3.47Å; F103-V306 HydrophobicContact CB-CB 4.37Å; F103-V306 PolarHBondContact N-O 3.5Å; F103-V306 PolarHBondContact O-N 3.36Å
104	N	89.9	Confident	85.7	Confident	23 Å²	23	36.3 Å²	36.3	12%	0.123	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	112.7	174.1	-57.2	-3.3	0	0	0	108.1	V102 Y106 A115 N116 T305	V102-N104 WeakPolarHBondContact CG1-OD1 3.43Å; N104-Y106 HydrophobicContact CB-CE2 3.98Å; N104-A115 CarbonylContact O-C 3.53Å; N104-A115 VanDerWaalsContact O-CA 3.23Å; N104-A115 WeakPolarHBondContact O-CA 3.47Å; N104-N116 HydrophobicContact CB-CB 4.27Å; N104-N116 PolarHBondContact N-O 2.86Å; N104-N116 PolarHBondContact O-N 3.47Å; N104-T305 VanDerWaalsContact OD1-CG2 3.3Å; N104-T305 WeakPolarHBondContact OD1-CG2 3.06Å; N104-T305 PolarHBondContact OD1-OG1 3.09Å
105	L	88.5	Confident	85.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.6	177.8	-53.4	-179.4	0	0	0	109.1	V58 L61 L75 F107 F112 A115 S303 V304	V58-L105 HydrophobicContact CG1-CD1 4.38Å; V58-L105 HydrophobicContact CG1-CD2 4.4Å; V58-L105 HydrophobicContact CG2-CD1 4.49Å; L61-L105 HydrophobicContact CB-CD1 3.77Å; L61-L105 HydrophobicContact CD1-CD1 3.94Å; L75-L105 HydrophobicContact CD2-CD2 4.01Å; L105-F107 HydrophobicContact CB-CE2 3.67Å; L105-F107 HydrophobicContact CB-CZ 3.91Å; L105-F107 WeakPolarHBondContact O-CD2 3.33Å; L105-F107 VanDerWaalsContact O-CE2 3.25Å; L105-F107 WeakPolarHBondContact O-CE2 3.44Å; L105-F112 HydrophobicContact CB-CD2 4.42Å; L105-F112 HydrophobicContact CB-CE2 4.12Å; L105-F112 HydrophobicContact CD2-CE2 3.92Å; L105-F112 HydrophobicContact CD2-CZ 4.34Å; L105-A115 HydrophobicContact CD2-CB 3.84Å; L105-S303 CarbonylContact O-C 3.6Å; L105-S303 VanDerWaalsContact O-CA 3.32Å; L105-S303 WeakPolarHBondContact O-CA 3.1Å; L105-V304 WeakPolarHBondContact CB-O 3.49Å; L105-V304 PolarHBondContact N-O 2.81Å; L105-V304 PolarHBondContact O-N 3.35Å
106	Y	87.1	Confident	86	Confident	56 Å²	56	35.8 Å²	35.8	22%	0.22	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	137	-176.9	-61.7	-77.9	0	0	0	111.7	N104 R113 S114 N116	N104-Y106 HydrophobicContact CB-CE2 3.98Å; Y106-R113 PolarHBondContact O-N 2.84Å; Y106-S114 WeakPolarHBondContact CB-OG 3.49Å; Y106-S114 PolarHBondContact N-O 3.37Å; Y106-N116 HydrophobicContact CE2-CB 3.98Å
107	F	80.6	Confident	86.1	Confident	14 Å²	14	35.7 Å²	35.7	6%	0.061	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.1	-175.5	-60.2	-91.5	0	0	0	112.1	L61 L105 H111 F112 G300 K301 T302 V304	L61-F107 HydrophobicContact CB-CZ 4.22Å; L105-F107 HydrophobicContact CB-CE2 3.67Å; L105-F107 HydrophobicContact CB-CZ 3.91Å; L105-F107 WeakPolarHBondContact O-CD2 3.33Å; L105-F107 VanDerWaalsContact O-CE2 3.25Å; L105-F107 WeakPolarHBondContact O-CE2 3.44Å; F107-H111 VanDerWaalsContact CA-O 3.29Å; F107-H111 WeakPolarHBondContact CA-O 3.49Å; F107-F112 HydrophobicContact CD1-CB 4.23Å; F107-F112 HydrophobicContact CE1-CB 3.93Å; F107-F112 HydrophobicContact CE1-CD2 4.29Å; F107-F112 HydrophobicContact CZ-CD2 4.38Å; F107-G300 CarbonylContact O-C 3.54Å; F107-G300 WeakPolarHBondContact O-CA 3.17Å; F107-K301 PolarHBondContact O-N 3.03Å; F107-T302 PolarHBondContact N-O 2.99Å; F107-T302 PolarHBondContact O-OG1 3.07Å; F107-V304 HydrophobicContact CD2-CG2 4.18Å; F107-V304 HydrophobicContact CE2-CB 3.96Å; F107-V304 HydrophobicContact CE2-CG2 3.79Å
108	E	77.3	Confident	86	Confident	62 Å²	62	36.9 Å²	36.9	29%	0.29	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	112.9	163	-170.1	-151.2	154.9	0	0	108.5	R110 H111 R113	E108-R110 PolarHBondContact O-N 3.06Å; E108-R110 VanDerWaalsContact O-N 3.1Å; E108-H111 PolarHBondContact N-O 3.1Å; E108-H111 PolarHBondContact O-N 2.56Å; E108-H111 VanDerWaalsContact O-N 3.1Å; E108-R113 HydrophobicContact CB-CG 3.57Å; E108-R113 IonicContact OE2-CZ 3Å; E108-R113 VanDerWaalsContact OE2-CZ 3.27Å; E108-R113 IonicContact OE2-NE 2.77Å; E108-R113 PolarHBondContact OE2-NE 2.83Å; E108-R113 IonicContact OE2-NH2 2.76Å; E108-R113 PolarHBondContact OE2-NH2 3.05Å
109	K	72.9	Confident	86	Confident	94 Å²	94	38.8 Å²	38.8	41%	0.409	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	-114.2	-167.3	-56.9	134.6	-176.1	162.9	0	108.1	M34 S1107	M34-K109 WeakPolarHBondContact CE-O 3.46Å; K109-S1107 VanDerWaalsContact CE-OG 3.27Å; K109-S1107 WeakPolarHBondContact CE-OG 3.45Å; K109-S1107 PolarHBondContact NZ-O 2.99Å; K109-S1107 PolarHBondContact NZ-OG 2.58Å
110	R	70.2	Confident	85.6	Confident	185 Å²	185	39.4 Å²	39.4	70%	0.698	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.6	16.6	-178.6	-63.1	-178.2	176.3	175.2	-3.6	114.4	M34 E108	M34-R110 HydrophobicContact SD-CG 4.46Å; E108-R110 PolarHBondContact O-N 3.06Å; E108-R110 VanDerWaalsContact O-N 3.1Å
111	H	75.6	Confident	85.2	Confident	93 Å²	93	40.2 Å²	40.2	43%	0.431	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.7	-178.4	-52.7	97.9	0	0	0	111.1	F107 E108	F107-H111 VanDerWaalsContact CA-O 3.29Å; F107-H111 WeakPolarHBondContact CA-O 3.49Å; E108-H111 PolarHBondContact N-O 3.1Å; E108-H111 PolarHBondContact O-N 2.56Å; E108-H111 VanDerWaalsContact O-N 3.1Å
112	F	80.9	Confident	84.9	Confident	26 Å²	26	41.5 Å²	41.5	11%	0.114	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	133.3	170	177.9	-128.2	0	0	0	109.9	M71 N72 L75 L105 F107 S114 A115	M71-F112 HydrophobicContact CE-CD1 3.59Å; M71-F112 HydrophobicContact CE-CD2 4.48Å; M71-F112 HydrophobicContact CE-CE1 3.29Å; M71-F112 HydrophobicContact CE-CE2 4.23Å; M71-F112 HydrophobicContact CE-CG 4.18Å; M71-F112 HydrophobicContact CE-CZ 3.63Å; M71-F112 HydrophobicContact CG-CE1 4.29Å; M71-F112 HydrophobicContact SD-CE1 4.45Å; N72-F112 WeakPolarHBondContact OD1-CD1 3.32Å; L75-F112 HydrophobicContact CD2-CE1 4.29Å; L75-F112 HydrophobicContact CD2-CZ 3.9Å; L105-F112 HydrophobicContact CB-CD2 4.42Å; L105-F112 HydrophobicContact CB-CE2 4.12Å; L105-F112 HydrophobicContact CD2-CE2 3.92Å; L105-F112 HydrophobicContact CD2-CZ 4.34Å; F107-F112 HydrophobicContact CD1-CB 4.23Å; F107-F112 HydrophobicContact CE1-CB 3.93Å; F107-F112 HydrophobicContact CE1-CD2 4.29Å; F107-F112 HydrophobicContact CZ-CD2 4.38Å; F112-S114 WeakPolarHBondContact CE2-O 3.44Å; F112-A115 HydrophobicContact CE2-CB 4.02Å; F112-A115 HydrophobicContact CZ-CB 3.93Å
113	R	83.4	Confident	84.4	Confident	114 Å²	114	42.5 Å²	42.5	43%	0.43	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	-34	-171.9	-76.2	-53.8	-156.3	-173.1	6.6	115.3	M71 Y106 E108	M71-R113 WeakPolarHBondContact CE-O 3.37Å; Y106-R113 PolarHBondContact O-N 2.84Å; E108-R113 HydrophobicContact CB-CG 3.57Å; E108-R113 IonicContact OE2-CZ 3Å; E108-R113 VanDerWaalsContact OE2-CZ 3.27Å; E108-R113 IonicContact OE2-NE 2.77Å; E108-R113 PolarHBondContact OE2-NE 2.83Å; E108-R113 IonicContact OE2-NH2 2.76Å; E108-R113 PolarHBondContact OE2-NH2 3.05Å
114	S	89.1	Confident	84	Confident	5 Å²	5	44.8 Å²	44.8	4%	0.035	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	163.8	-179.6	46	0	0	0	0	109.4	Y106 F112 L295 I298	Y106-S114 WeakPolarHBondContact CB-OG 3.49Å; Y106-S114 PolarHBondContact N-O 3.37Å; F112-S114 WeakPolarHBondContact CE2-O 3.44Å; S114-L295 CarbonylContact C-O 3.41Å; S114-L295 VanDerWaalsContact CA-O 3.29Å; S114-L295 WeakPolarHBondContact CA-O 3.42Å; S114-L295 VanDerWaalsContact CB-O 3.25Å; S114-L295 WeakPolarHBondContact CB-O 3.41Å; S114-I298 PolarHBondContact OG-O 3.46Å; S114-I298 VanDerWaalsContact OG-O 3.12Å
115	A	90.9	Very high	83.6	Confident	5 Å²	5	44.9 Å²	44.9	4%	0.041	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	154.8	171.9	0	0	0	0	0	111.8	L75 N104 L105 F112 L295	L75-A115 HydrophobicContact CD1-CB 4.41Å; N104-A115 CarbonylContact O-C 3.53Å; N104-A115 VanDerWaalsContact O-CA 3.23Å; N104-A115 WeakPolarHBondContact O-CA 3.47Å; L105-A115 HydrophobicContact CD2-CB 3.84Å; F112-A115 HydrophobicContact CE2-CB 4.02Å; F112-A115 HydrophobicContact CZ-CB 3.93Å; A115-L295 HydrophobicContact CB-CB 4.13Å; A115-L295 HydrophobicContact CB-CD1 4.2Å; A115-L295 PolarHBondContact N-O 3.08Å; A115-L295 CarbonylContact O-C 3.55Å; A115-L295 WeakPolarHBondContact O-CB 3.34Å
116	N	92	Very high	83.5	Confident	52 Å²	52	45.4 Å²	45.4	28%	0.278	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	131.8	168.7	-178	-67	0	0	0	108.8	N104 Y106 S118	N104-N116 HydrophobicContact CB-CB 4.27Å; N104-N116 PolarHBondContact N-O 2.86Å; N104-N116 PolarHBondContact O-N 3.47Å; Y106-N116 HydrophobicContact CE2-CB 3.98Å; N116-S118 PolarHBondContact OD1-OG 3.4Å
117	V	93.1	Very high	83.7	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	127.8	170.7	-173.4	0	0	0	0	108.9	L82 V102 F103 V288 I291 N292 L295	L82-V117 HydrophobicContact CD1-CG1 3.76Å; L82-V117 HydrophobicContact CD1-CG2 4.49Å; V102-V117 CarbonylContact O-C 3.56Å; V102-V117 WeakPolarHBondContact O-CA 3.14Å; F103-V117 HydrophobicContact CD1-CG1 4.36Å; F103-V117 HydrophobicContact CD1-CG2 3.84Å; F103-V117 HydrophobicContact CE1-CG1 4.23Å; F103-V117 HydrophobicContact CE1-CG2 4.06Å; V117-V288 WeakPolarHBondContact O-CG1 3.4Å; V117-I291 HydrophobicContact CB-CG2 4.42Å; V117-I291 HydrophobicContact CG2-CG2 4Å; V117-N292 PolarHBondContact N-OD1 3.5Å; V117-N292 PolarHBondContact O-ND2 2.96Å; V117-N292 PolarHBondContact O-OD1 3.4Å; V117-L295 HydrophobicContact CG2-CD1 4.08Å
118	S	90.4	Very high	84.1	Confident	27 Å²	27	42.4 Å²	42.4	19%	0.189	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	138	167.8	-71.4	0	0	0	0	110.2	V102 N116	V102-S118 PolarHBondContact N-O 3.01Å; V102-S118 PolarHBondContact O-N 3.03Å; N116-S118 PolarHBondContact OD1-OG 3.4Å
119	L	89.6	Confident	84.4	Confident	41 Å²	41	41.4 Å²	41.4	22%	0.215	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.7	171.9	-74.2	-171.8	0	0	0	109.8	L82 T86 A100 K101 V284 V288	L82-L119 HydrophobicContact CD2-CD1 3.88Å; L82-L119 HydrophobicContact CD2-CD2 4.17Å; L82-L119 HydrophobicContact CD2-CG 4.18Å; T86-L119 HydrophobicContact CG2-CD1 3.87Å; A100-L119 WeakPolarHBondContact O-CA 3.48Å; K101-L119 HydrophobicContact CB-CD2 4.22Å; K101-L119 HydrophobicContact CG-CD2 3.63Å; L119-V284 HydrophobicContact CD1-CG1 3.46Å; L119-V284 VanDerWaalsContact CD1-CG1 3.46Å; L119-V288 HydrophobicContact CB-CG2 4.32Å; L119-V288 HydrophobicContact CD1-CG2 3.51Å; L119-V288 HydrophobicContact CG-CG2 3.68Å
120	I	82.3	Confident	85.1	Confident	15 Å²	15	37.9 Å²	37.9	8%	0.077	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	153.8	179	-29.8	-179.8	0	0	0	108.4	C99 A100 V102 L122 D490 L494 W497	C99-I120 PolarHBondContact SG-O 3.23Å; A100-I120 HydrophobicContact CB-CB 4.28Å; A100-I120 WeakPolarHBondContact CB-O 3.37Å; A100-I120 PolarHBondContact N-O 2.99Å; A100-I120 PolarHBondContact O-N 3.06Å; V102-I120 HydrophobicContact CG2-CD1 3.98Å; V102-I120 HydrophobicContact CG2-CG1 4.37Å; I120-L122 PolarHBondContact O-N 2.88Å; I120-D490 HydrophobicContact CG2-CB 3.72Å; I120-L494 HydrophobicContact CD1-CB 4.25Å; I120-L494 HydrophobicContact CD1-CD1 4.19Å; I120-W497 HydrophobicContact CD1-CE3 4.42Å; I120-W497 HydrophobicContact CD1-CZ3 4Å
121	L	80.2	Confident	85.6	Confident	16 Å²	16	32 Å²	32	8%	0.084	17%	0.165	C	C	.	.			trans	59.4	45.3	169	-49.7	179.9	0	0	0	114.8	E123 F310 V328 L487 D490	L121-E123 PolarHBondContact O-N 3.45Å; L121-F310 HydrophobicContact CB-CE1 3.81Å; L121-F310 HydrophobicContact CB-CZ 3.96Å; L121-F310 HydrophobicContact CD1-CE1 4.41Å; L121-F310 HydrophobicContact CD1-CZ 3.83Å; L121-V328 HydrophobicContact CD1-CB 4.44Å; L121-V328 HydrophobicContact CD1-CG1 3.8Å; L121-V328 HydrophobicContact CD1-CG2 3.78Å; L121-L487 HydrophobicContact CD2-CD1 3.49Å; L121-L487 VanDerWaalsContact CD2-CD1 3.49Å; L121-D490 HydrophobicContact CD2-CB 3.38Å; L121-D490 HydrophobicContact CG-CB 4.33Å
122	L	85.1	Confident	86	Confident	34 Å²	34	35.8 Å²	35.8	18%	0.178	18%	0.181	C	C	.	.			trans	-66.3	124.1	172.8	179.4	62.9	0	0	0	110.7	T86 C99 I120 K124 F137 Y280 A281 V284	T86-L122 HydrophobicContact CG2-CD1 4.45Å; C99-L122 HydrophobicContact CB-CB 4.31Å; C99-L122 HydrophobicContact CB-CD1 3.82Å; I120-L122 PolarHBondContact O-N 2.88Å; L122-K124 PolarHBondContact O-N 2.93Å; L122-F137 HydrophobicContact CD1-CE1 3.94Å; L122-F137 HydrophobicContact CD1-CZ 3.77Å; L122-Y280 HydrophobicContact CD2-CD1 4.43Å; L122-A281 HydrophobicContact CD2-CB 4.34Å; L122-V284 HydrophobicContact CD2-CB 4.5Å; L122-V284 HydrophobicContact CD2-CG1 4.46Å
123	E	82.8	Confident	86.2	Confident	22 Å²	22	39.1 Å²	39.1	10%	0.103	20%	0.197	C	C	.	.			trans	-70.5	69.6	176.2	-169.7	-167.2	-142.2	0	0	111.8	R98 L121 F125 R126	R98-E123 HydrophobicContact CB-CB 4.06Å; R98-E123 WeakPolarHBondContact CG-OE2 3.34Å; R98-E123 IonicContact CZ-OE1 2.97Å; R98-E123 IonicContact CZ-OE2 2.98Å; R98-E123 VanDerWaalsContact NE-CD 3.28Å; R98-E123 IonicContact NE-OE1 2.76Å; R98-E123 PolarHBondContact NE-OE1 3.14Å; R98-E123 IonicContact NE-OE2 2.63Å; R98-E123 PolarHBondContact NE-OE2 3.2Å; R98-E123 IonicContact NH2-OE1 2.79Å; R98-E123 PolarHBondContact NH2-OE1 2.91Å; R98-E123 IonicContact NH2-OE2 2.86Å; R98-E123 WeakPolarHBondContact O-CB 3.46Å; R98-E123 PolarHBondContact O-N 2.91Å; L121-E123 PolarHBondContact O-N 3.45Å; E123-F125 PolarHBondContact O-N 2.85Å; E123-R126 HydrophobicContact CG-CB 4.22Å; E123-R126 PolarHBondContact O-N 3.45Å; E123-R126 VanDerWaalsContact O-N 3.11Å; E123-R126 IonicContact OE1-NE 2.76Å; E123-R126 IonicContact OE1-NH2 3.3Å; E123-R126 PolarHBondContact OE1-NH2 3.49Å; E123-R126 WeakPolarHBondContact OE2-CB 3.5Å; E123-R126 WeakPolarHBondContact OE2-CD 3.39Å; E123-R126 IonicContact OE2-CZ 2.85Å; E123-R126 IonicContact OE2-NE 2.92Å; E123-R126 PolarHBondContact OE2-NE 2.93Å; E123-R126 IonicContact OE2-NH2 2.87Å
124	K	83	Confident	86.4	Confident	55 Å²	55	34 Å²	34	24%	0.239	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-52.4	-31	-177.2	-61.5	-167	-170.8	-172.8	0	113	L122 R126 L127 K277 E278 A281	L122-K124 PolarHBondContact O-N 2.93Å; K124-R126 VanDerWaalsContact C-N 3.32Å; K124-R126 PolarHBondContact O-N 3.03Å; K124-L127 WeakPolarHBondContact O-CB 3.17Å; K124-L127 PolarHBondContact O-N 3.35Å; K124-K277 HydrophobicContact CB-CB 4.22Å; K124-K277 HydrophobicContact CB-CG 4.17Å; K124-K277 HydrophobicContact CD-CB 4.36Å; K124-E278 IonicContact NZ-OE1 2.7Å; K124-E278 PolarHBondContact NZ-OE1 2.91Å; K124-E278 IonicContact NZ-OE2 2.69Å; K124-E278 PolarHBondContact NZ-OE2 3.26Å; K124-A281 HydrophobicContact CD-CB 4.09Å
125	F	80.2	Confident	86.5	Confident	26 Å²	26	33.7 Å²	33.7	11%	0.114	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-61.7	-33.9	-179.2	-71.4	-84.8	0	0	0	114.2	E123 L127 V128 A129 F320 E321 R440 V483	E123-F125 PolarHBondContact O-N 2.85Å; F125-L127 PolarHBondContact O-N 2.94Å; F125-L127 VanDerWaalsContact O-N 3.09Å; F125-V128 PolarHBondContact O-N 3.05Å; F125-A129 PolarHBondContact O-N 2.94Å; F125-F320 HydrophobicContact CE2-CE1 4.46Å; F125-E321 HydrophobicContact CB-CG 4.22Å; F125-R440 HydrophobicContact CD1-CB 4.24Å; F125-R440 HydrophobicContact CD1-CG 4.14Å; F125-R440 HydrophobicContact CE1-CB 3.87Å; F125-R440 HydrophobicContact CE1-CG 4.14Å; F125-R440 VanDerWaalsContact CE1-O 3.26Å; F125-R440 WeakPolarHBondContact CE1-O 3.32Å; F125-R440 WeakPolarHBondContact CZ-O 3.46Å; F125-V483 HydrophobicContact CE2-CB 4.47Å; F125-V483 HydrophobicContact CE2-CG1 3.93Å; F125-V483 HydrophobicContact CE2-CG2 3.87Å; F125-V483 HydrophobicContact CZ-CG2 3.81Å
126	R	87.6	Confident	86.7	Confident	10 Å²	10	33.5 Å²	33.5	4%	0.038	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-59.9	-24.7	178.4	-179.6	166.1	-60.9	-85	-13.3	113.2	E123 K124 V128 A129 Q130 E134 R135 N136 F137	E123-R126 HydrophobicContact CG-CB 4.22Å; E123-R126 PolarHBondContact O-N 3.45Å; E123-R126 VanDerWaalsContact O-N 3.11Å; E123-R126 IonicContact OE1-NE 2.76Å; E123-R126 IonicContact OE1-NH2 3.3Å; E123-R126 PolarHBondContact OE1-NH2 3.49Å; E123-R126 WeakPolarHBondContact OE2-CB 3.5Å; E123-R126 WeakPolarHBondContact OE2-CD 3.39Å; E123-R126 IonicContact OE2-CZ 2.85Å; E123-R126 IonicContact OE2-NE 2.92Å; E123-R126 PolarHBondContact OE2-NE 2.93Å; E123-R126 IonicContact OE2-NH2 2.87Å; K124-R126 VanDerWaalsContact C-N 3.32Å; K124-R126 PolarHBondContact O-N 3.03Å; R126-V128 VanDerWaalsContact C-N 3.27Å; R126-V128 PolarHBondContact O-N 3.04Å; R126-A129 WeakPolarHBondContact CA-O 3.28Å; R126-Q130 PolarHBondContact O-NE2 2.76Å; R126-E134 IonicContact CZ-OE2 3.51Å; R126-E134 VanDerWaalsContact CZ-OE2 3.3Å; R126-E134 IonicContact NH1-OE2 3.77Å; R126-E134 PolarHBondContact NH1-OE2 2.86Å; R126-E134 IonicContact NH2-OE2 2.72Å; R126-E134 PolarHBondContact NH2-OE2 2.92Å; R126-R135 WeakPolarHBondContact CD-O 3.46Å; R126-R135 PolarHBondContact NH1-O 3.14Å; R126-R135 VanDerWaalsContact NH1-O 3.09Å; R126-N136 PolarHBondContact O-OD1 3.03Å; R126-F137 HydrophobicContact CB-CE2 4.32Å; R126-F137 HydrophobicContact CB-CZ 4.41Å
127	L	90.5	Very high	86.8	Confident	1 Å²	1	31 Å²	31	1%	0.005	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-60.3	-38.3	177	-170.6	70.6	0	0	0	112.3	K124 F125 N136 F137 F140 Y165 V210 A276 Y280	K124-L127 WeakPolarHBondContact O-CB 3.17Å; K124-L127 PolarHBondContact O-N 3.35Å; F125-L127 PolarHBondContact O-N 2.94Å; F125-L127 VanDerWaalsContact O-N 3.09Å; L127-N136 WeakPolarHBondContact CA-OD1 3.37Å; L127-N136 PolarHBondContact O-ND2 2.98Å; L127-F137 HydrophobicContact CB-CE2 4.5Å; L127-F137 HydrophobicContact CD1-CD2 4.39Å; L127-F140 HydrophobicContact CD1-CE2 3.5Å; L127-F140 HydrophobicContact CD1-CZ 3.53Å; L127-Y165 WeakPolarHBondContact O-CB 3.26Å; L127-V210 HydrophobicContact CD1-CG1 3.93Å; L127-V210 HydrophobicContact CD2-CG1 3.97Å; L127-V210 HydrophobicContact CG-CG1 4.18Å; L127-A276 VanDerWaalsContact CD2-C 3.41Å; L127-A276 HydrophobicContact CD2-CB 4.07Å; L127-A276 WeakPolarHBondContact CD2-O 3.21Å; L127-Y280 HydrophobicContact CD1-CD1 4.31Å; L127-Y280 HydrophobicContact CD1-CD2 3.93Å; L127-Y280 HydrophobicContact CD1-CE2 4.38Å; L127-Y280 HydrophobicContact CD1-CG 3.89Å; L127-Y280 HydrophobicContact CD2-CG 4.15Å
128	V	88.9	Confident	86.9	Confident	6 Å²	6	31 Å²	31	4%	0.036	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	-18.5	-171.9	-51.3	0	0	0	0	114	F125 R126 Y165 Q168 D273 A276 K277	F125-V128 PolarHBondContact O-N 3.05Å; R126-V128 VanDerWaalsContact C-N 3.27Å; R126-V128 PolarHBondContact O-N 3.04Å; V128-Y165 HydrophobicContact CB-CD1 4.02Å; V128-Y165 HydrophobicContact CB-CE1 3.64Å; V128-Y165 HydrophobicContact CG1-CD1 4.23Å; V128-Y165 HydrophobicContact CG1-CE1 3.65Å; V128-Y165 HydrophobicContact CG1-CE2 4.32Å; V128-Q168 PolarHBondContact O-NE2 3.47Å; V128-Q168 PolarHBondContact O-OE1 2.97Å; V128-D273 HydrophobicContact CB-CB 4.32Å; V128-D273 VanDerWaalsContact CB-OD2 3.24Å; V128-D273 WeakPolarHBondContact CB-OD2 3.28Å; V128-D273 HydrophobicContact CG1-CB 4Å; V128-D273 HydrophobicContact CG2-CB 4.3Å; V128-D273 VanDerWaalsContact CG2-OD2 3.22Å; V128-D273 WeakPolarHBondContact CG2-OD2 3.35Å; V128-A276 HydrophobicContact CG1-CB 4.36Å; V128-K277 HydrophobicContact CG1-CG 4.16Å
129	A	84.9	Confident	87.2	Confident	42 Å²	42	29.8 Å²	29.8	35%	0.347	15%	0.152	S	C	.	.			trans	-134	126.7	-178.1	0	0	0	0	0	110.6	F125 R126 Q168	F125-A129 PolarHBondContact O-N 2.94Å; R126-A129 WeakPolarHBondContact CA-O 3.28Å; A129-Q168 VanDerWaalsContact CA-OE1 3.26Å
130	Q	85.8	Confident	87.5	Confident	20 Å²	20	27.8 Å²	27.8	9%	0.093	14%	0.142	C	C	.	.			trans	-128	137.5	171.9	-53.4	93.5	43.3	0	0	113.8	R126 N136 Y165 Q168	R126-Q130 PolarHBondContact O-NE2 2.76Å; Q130-N136 HydrophobicContact CG-CB 4.43Å; Q130-N136 PolarHBondContact NE2-ND2 2.85Å; Q130-Y165 PolarHBondContact NE2-O 3.12Å; Q130-Y165 PolarHBondContact OE1-O 2.81Å; Q130-Q168 VanDerWaalsContact N-OE1 3.1Å
131	S	81.8	Confident	88.1	Confident	60 Å²	60	27.4 Å²	27.4	42%	0.42	14%	0.139	S	C	.	.			trans	-63.7	153.6	169.5	-86.4	0	0	0	0	112.5	Q133 E134 G169	S131-Q133 PolarHBondContact O-N 3.14Å; S131-E134 VanDerWaalsContact O-CB 3.27Å; S131-E134 WeakPolarHBondContact O-CB 3.22Å; S131-E134 PolarHBondContact O-N 3.32Å; S131-G169 WeakPolarHBondContact O-CA 3.42Å
132	K	84.2	Confident	88.8	Confident	173 Å²	173	26.8 Å²	26.8	75%	0.752	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	135.2	176.6	-169.3	175.5	-179	177.8	0	111	N91 E134	N91-K132 PolarHBondContact ND2-O 2.91Å; N91-K132 VanDerWaalsContact ND2-O 3.13Å; K132-E134 PolarHBondContact O-N 3.31Å
133	Q	85.5	Confident	89.3	Confident	96 Å²	96	25.3 Å²	25.3	45%	0.449	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	0.4	-172.5	-67	-64.4	-17.1	0	0	117.1	K89 S131 G169	K89-Q133 WeakPolarHBondContact CD-O 3.27Å; K89-Q133 VanDerWaalsContact CE-O 3.29Å; K89-Q133 WeakPolarHBondContact CE-O 3.4Å; K89-Q133 PolarHBondContact NZ-O 3.2Å; S131-Q133 PolarHBondContact O-N 3.14Å; Q133-G169 WeakPolarHBondContact CA-O 3.36Å; Q133-G169 PolarHBondContact N-O 2.91Å
134	E	87.7	Confident	89.8	Confident	6 Å²	6	24.7 Å²	24.7	3%	0.028	13%	0.126	C	C	.	.			trans	-88	170.6	176.1	-53.2	-148.5	153	0	0	112.5	K89 T90 N91 R126 S131 K132	K89-E134 WeakPolarHBondContact O-CA 3.45Å; K89-E134 VanDerWaalsContact O-CB 3.3Å; K89-E134 WeakPolarHBondContact O-CB 3.5Å; T90-E134 VanDerWaalsContact CA-OE1 3.29Å; T90-E134 WeakPolarHBondContact CA-OE1 3.45Å; T90-E134 WeakPolarHBondContact CB-OE1 3.35Å; N91-E134 PolarHBondContact N-OE1 2.7Å; N91-E134 WeakPolarHBondContact ND2-CG 3.28Å; N91-E134 PolarHBondContact ND2-OE1 3.13Å; R126-E134 IonicContact CZ-OE2 3.51Å; R126-E134 VanDerWaalsContact CZ-OE2 3.3Å; R126-E134 IonicContact NH1-OE2 3.77Å; R126-E134 PolarHBondContact NH1-OE2 2.86Å; R126-E134 IonicContact NH2-OE2 2.72Å; R126-E134 PolarHBondContact NH2-OE2 2.92Å; S131-E134 VanDerWaalsContact O-CB 3.27Å; S131-E134 WeakPolarHBondContact O-CB 3.22Å; S131-E134 PolarHBondContact O-N 3.32Å; K132-E134 PolarHBondContact O-N 3.31Å
135	R	91.1	Very high	90.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.132	C	C	.	.			trans	-118.6	162.2	169.3	-63.8	-153.9	-53.2	-176.9	8.1	111.2	K89 R126 Y141 G171 V172 D179	K89-R135 HydrophobicContact CB-CB 3.84Å; K89-R135 HydrophobicContact CB-CG 3.86Å; K89-R135 HydrophobicContact CD-CG 3.91Å; K89-R135 PolarHBondContact O-N 3.46Å; R126-R135 WeakPolarHBondContact CD-O 3.46Å; R126-R135 PolarHBondContact NH1-O 3.14Å; R126-R135 VanDerWaalsContact NH1-O 3.09Å; R135-Y141 HydrophobicContact CB-CD2 4.43Å; R135-Y141 HydrophobicContact CB-CE2 3.65Å; R135-Y141 HydrophobicContact CG-CE1 4.5Å; R135-Y141 HydrophobicContact CG-CE2 4.22Å; R135-G171 VanDerWaalsContact CD-O 3.31Å; R135-G171 WeakPolarHBondContact CD-O 3.45Å; R135-G171 WeakPolarHBondContact CG-O 3.34Å; R135-V172 VanDerWaalsContact CD-O 3.23Å; R135-V172 WeakPolarHBondContact CD-O 3.21Å; R135-V172 PolarHBondContact NH1-O 3.39Å; R135-D179 IonicContact CZ-OD1 2.74Å; R135-D179 IonicContact CZ-OD2 2.81Å; R135-D179 IonicContact NH1-OD1 2.84Å; R135-D179 PolarHBondContact NH1-OD1 3.31Å; R135-D179 IonicContact NH1-OD2 2.9Å; R135-D179 PolarHBondContact NH1-OD2 3.08Å; R135-D179 IonicContact NH2-OD1 2.65Å; R135-D179 PolarHBondContact NH2-OD1 2.97Å; R135-D179 IonicContact NH2-OD2 2.71Å
136	N	93.6	Very high	90.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-68.4	-175.6	159.4	-154.5	-28.7	0	0	0	110.2	A88 R126 L127 Q130 Y141 Y165 L166	A88-N136 WeakPolarHBondContact CB-O 3.22Å; R126-N136 PolarHBondContact O-OD1 3.03Å; L127-N136 WeakPolarHBondContact CA-OD1 3.37Å; L127-N136 PolarHBondContact O-ND2 2.98Å; Q130-N136 HydrophobicContact CG-CB 4.43Å; Q130-N136 PolarHBondContact NE2-ND2 2.85Å; N136-Y141 HydrophobicContact CB-CE2 3.89Å; N136-Y141 PolarHBondContact N-OH 2.81Å; N136-Y141 VanDerWaalsContact N-OH 3.13Å; N136-Y165 PolarHBondContact ND2-O 3.05Å; N136-L166 HydrophobicContact CB-CD2 3.74Å
137	F	95.3	Very high	91.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-55.6	143.8	174.7	-63.8	-75.8	0	0	0	112.1	F85 N87 R98 L122 R126 L127 V139 F140 Y141 Y280	F85-F137 VanDerWaalsContact O-CD1 3.32Å; F85-F137 WeakPolarHBondContact O-CD1 3.13Å; N87-F137 WeakPolarHBondContact O-CA 3.29Å; R98-F137 HydrophobicContact CB-CE1 4.07Å; L122-F137 HydrophobicContact CD1-CE1 3.94Å; L122-F137 HydrophobicContact CD1-CZ 3.77Å; R126-F137 HydrophobicContact CB-CE2 4.32Å; R126-F137 HydrophobicContact CB-CZ 4.41Å; L127-F137 HydrophobicContact CB-CE2 4.5Å; L127-F137 HydrophobicContact CD1-CD2 4.39Å; F137-V139 VanDerWaalsContact C-N 3.29Å; F137-V139 HydrophobicContact CB-CG1 4.41Å; F137-V139 PolarHBondContact O-N 2.73Å; F137-F140 HydrophobicContact CB-CD2 4.21Å; F137-F140 HydrophobicContact CB-CE2 4.26Å; F137-F140 PolarHBondContact O-N 3.22Å; F137-Y141 WeakPolarHBondContact O-CD2 3.39Å; F137-Y280 WeakPolarHBondContact CB-OH 2.98Å; F137-Y280 HydrophobicContact CD2-CD1 4.44Å; F137-Y280 AromaticContact CD2-CE1 3.65Å; F137-Y280 HydrophobicContact CD2-CE1 3.65Å; F137-Y280 AromaticContact CD2-CZ 3.77Å; F137-Y280 HydrophobicContact CE2-CD1 4.35Å; F137-Y280 AromaticContact CE2-CE1 3.79Å; F137-Y280 HydrophobicContact CE2-CE1 3.79Å; F137-Y280 HydrophobicContact CG-CE1 4.11Å; F137-Y280 AromaticContact CG-CZ 3.98Å; F137-Y280 WeakPolarHBondContact CG-OH 3.3Å; F137-Y280 HydrophobicContact CZ-CE1 4.35Å
138	H	95	Very high	91.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.3	-35.6	-172.1	-68.6	-23.8	0	0	0	113.9	S84 N87 D94 N95 F140 Y141 Q142 K177	S84-H138 PolarHBondContact O-N 2.94Å; N87-H138 PolarHBondContact O-N 2.93Å; D94-H138 PolarHBondContact O-CE1 3.48Å; D94-H138 VanDerWaalsContact O-CE1 3.29Å; D94-H138 PolarHBondContact O-NE2 2.82Å; N95-H138 PolarHBondContact OD1-CD2 3.31Å; N95-H138 PolarHBondContact OD1-NE2 3.22Å; H138-F140 PolarHBondContact O-N 3.2Å; H138-F140 VanDerWaalsContact O-N 3.11Å; H138-Y141 PolarHBondContact O-N 3.42Å; H138-Q142 VanDerWaalsContact O-CG 3.32Å; H138-Q142 WeakPolarHBondContact O-CG 3.33Å; H138-Q142 PolarHBondContact O-N 2.85Å; H138-K177 PolarHBondContact CD2-NZ 3.37Å; H138-K177 PolarHBondContact NE2-NZ 3.31Å
139	V	96.4	Very high	91.4	Very high	2 Å²	2	32 Å²	32	1%	0.012	19%	0.193	C	C	.	.	H	α-helix	trans	-51.8	-36.1	-177.5	66.6	0	0	0	0	113.7	S84 F85 F137 Q142 L143 L186 L207 Y280	S84-V139 WeakPolarHBondContact O-CB 3.35Å; S84-V139 PolarHBondContact O-N 2.74Å; F85-V139 HydrophobicContact CD1-CB 4.44Å; F85-V139 HydrophobicContact CD1-CG1 4.06Å; F85-V139 HydrophobicContact CD1-CG2 4.4Å; F85-V139 HydrophobicContact CD2-CB 4.44Å; F85-V139 HydrophobicContact CD2-CG2 4.26Å; F85-V139 HydrophobicContact CE1-CB 4.49Å; F85-V139 HydrophobicContact CE1-CG1 4.24Å; F85-V139 HydrophobicContact CE1-CG2 3.98Å; F85-V139 HydrophobicContact CE2-CB 4.49Å; F85-V139 HydrophobicContact CE2-CG2 3.83Å; F85-V139 HydrophobicContact CG-CB 4.43Å; F85-V139 HydrophobicContact CG-CG1 4.4Å; F85-V139 HydrophobicContact CZ-CG2 3.68Å; F137-V139 VanDerWaalsContact C-N 3.29Å; F137-V139 HydrophobicContact CB-CG1 4.41Å; F137-V139 PolarHBondContact O-N 2.73Å; V139-Q142 PolarHBondContact O-N 3.28Å; V139-L143 WeakPolarHBondContact O-CB 3.44Å; V139-L143 PolarHBondContact O-N 3.41Å; V139-L186 HydrophobicContact CG2-CD2 4.03Å; V139-L207 HydrophobicContact CG1-CD2 3.98Å; V139-L207 HydrophobicContact CG2-CD1 3.63Å; V139-Y280 HydrophobicContact CG1-CE2 4.16Å; V139-Y280 WeakPolarHBondContact CG1-OH 3.46Å
140	F	96	Very high	91.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-67.5	-43.2	179	-63.9	-73.1	0	0	0	112.7	L127 F137 H138 L144 L166 L207 V210 L211 Y280	L127-F140 HydrophobicContact CD1-CE2 3.5Å; L127-F140 HydrophobicContact CD1-CZ 3.53Å; F137-F140 HydrophobicContact CB-CD2 4.21Å; F137-F140 HydrophobicContact CB-CE2 4.26Å; F137-F140 PolarHBondContact O-N 3.22Å; H138-F140 PolarHBondContact O-N 3.2Å; H138-F140 VanDerWaalsContact O-N 3.11Å; F140-L144 WeakPolarHBondContact O-CB 3.41Å; F140-L144 WeakPolarHBondContact O-CG 3.19Å; F140-L144 PolarHBondContact O-N 2.83Å; F140-L166 HydrophobicContact CB-CD1 4.19Å; F140-L166 HydrophobicContact CB-CD2 3.64Å; F140-L166 HydrophobicContact CD2-CD2 4.38Å; F140-L166 HydrophobicContact CG-CD2 4.07Å; F140-L207 HydrophobicContact CD1-CB 4.5Å; F140-L207 HydrophobicContact CD1-CD2 4.23Å; F140-L207 HydrophobicContact CE1-CB 4.14Å; F140-L207 HydrophobicContact CE1-CD2 3.58Å; F140-L207 HydrophobicContact CE1-CG 4.48Å; F140-L207 HydrophobicContact CZ-CD2 3.78Å; F140-V210 HydrophobicContact CE1-CG1 4.22Å; F140-V210 HydrophobicContact CZ-CG1 4.04Å; F140-L211 HydrophobicContact CD1-CD1 3.99Å; F140-L211 HydrophobicContact CD1-CD2 3.66Å; F140-L211 HydrophobicContact CD1-CG 3.76Å; F140-L211 HydrophobicContact CE1-CD2 4.07Å; F140-L211 HydrophobicContact CE1-CG 4.06Å; F140-L211 HydrophobicContact CG-CD2 4.25Å; F140-Y280 HydrophobicContact CE2-CD2 4.06Å; F140-Y280 AromaticContact CE2-CE2 3.54Å; F140-Y280 HydrophobicContact CE2-CE2 3.54Å; F140-Y280 AromaticContact CZ-CD2 3.6Å; F140-Y280 HydrophobicContact CZ-CD2 3.6Å; F140-Y280 AromaticContact CZ-CE2 3.44Å; F140-Y280 HydrophobicContact CZ-CE2 3.44Å; F140-Y280 VanDerWaalsContact CZ-CE2 3.44Å
141	Y	94.7	Very high	92	Very high	6 Å²	6	38.5 Å²	38.5	2%	0.024	22%	0.219	C	C	.	.	H	α-helix	trans	-71.6	-36.9	177.7	-55.4	-86.6	0	0	0	111	R135 N136 F137 H138 A145 P160 L166 V172	R135-Y141 HydrophobicContact CB-CD2 4.43Å; R135-Y141 HydrophobicContact CB-CE2 3.65Å; R135-Y141 HydrophobicContact CG-CE1 4.5Å; R135-Y141 HydrophobicContact CG-CE2 4.22Å; N136-Y141 HydrophobicContact CB-CE2 3.89Å; N136-Y141 PolarHBondContact N-OH 2.81Å; N136-Y141 VanDerWaalsContact N-OH 3.13Å; F137-Y141 WeakPolarHBondContact O-CD2 3.39Å; H138-Y141 PolarHBondContact O-N 3.42Å; Y141-A145 WeakPolarHBondContact O-CB 3.24Å; Y141-A145 PolarHBondContact O-N 3.13Å; Y141-P160 HydrophobicContact CD1-CB 4.33Å; Y141-P160 HydrophobicContact CE1-CB 4.38Å; Y141-L166 HydrophobicContact CE1-CB 4.31Å; Y141-L166 HydrophobicContact CE1-CD2 4.35Å; Y141-L166 HydrophobicContact CE2-CD2 4.07Å; Y141-L166 PolarHBondContact OH-O 2.88Å; Y141-V172 HydrophobicContact CD1-CG1 4.41Å; Y141-V172 HydrophobicContact CE1-CG1 4.38Å
142	Q	95	Very high	92.6	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.019	21%	0.208	C	C	.	.	H	α-helix	trans	-61.2	-49.5	173.1	-68.3	168.3	-16.2	0	0	111	S84 H138 V139 L144 A145 G146 D179 D182 Y183	S84-Q142 PolarHBondContact OG-NE2 2.99Å; S84-Q142 PolarHBondContact OG-OE1 3.04Å; H138-Q142 VanDerWaalsContact O-CG 3.32Å; H138-Q142 WeakPolarHBondContact O-CG 3.33Å; H138-Q142 PolarHBondContact O-N 2.85Å; V139-Q142 PolarHBondContact O-N 3.28Å; Q142-L144 PolarHBondContact O-N 3.29Å; Q142-A145 PolarHBondContact O-N 3.09Å; Q142-G146 PolarHBondContact O-N 3.38Å; Q142-D179 WeakPolarHBondContact CA-O 3.44Å; Q142-D179 HydrophobicContact CG-CB 4.32Å; Q142-D182 HydrophobicContact CG-CB 3.91Å; Q142-Y183 HydrophobicContact CB-CD2 4.13Å; Q142-Y183 WeakPolarHBondContact O-CB 3.15Å; Q142-Y183 WeakPolarHBondContact O-CD2 3.48Å
143	L	95.3	Very high	93	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-58	-50.5	177.8	-173.2	72.4	0	0	0	112.1	V139 A145 G146 L147 L157 Y183 I204 L207	V139-L143 WeakPolarHBondContact O-CB 3.44Å; V139-L143 PolarHBondContact O-N 3.41Å; L143-A145 VanDerWaalsContact C-N 3.29Å; L143-A145 PolarHBondContact O-N 3.15Å; L143-G146 PolarHBondContact O-N 2.84Å; L143-L147 HydrophobicContact CD1-CD1 3.64Å; L143-L147 HydrophobicContact CD1-CD2 4.34Å; L143-L147 HydrophobicContact CD1-CG 3.83Å; L143-L147 HydrophobicContact CG-CD1 3.87Å; L143-L147 HydrophobicContact CG-CG 4.29Å; L143-L147 WeakPolarHBondContact O-CB 3.18Å; L143-L147 WeakPolarHBondContact O-CG 3.47Å; L143-L147 PolarHBondContact O-N 2.88Å; L143-L147 VanDerWaalsContact O-N 3.09Å; L143-L157 HydrophobicContact CD2-CD1 4.17Å; L143-Y183 HydrophobicContact CB-CE2 4.36Å; L143-Y183 HydrophobicContact CD1-CE2 3.67Å; L143-I204 HydrophobicContact CD1-CB 4.4Å; L143-I204 HydrophobicContact CD1-CG1 3.9Å; L143-I204 HydrophobicContact CD1-CG2 4.01Å; L143-I204 HydrophobicContact CD2-CG2 4.49Å; L143-L207 HydrophobicContact CD2-CB 3.86Å; L143-L207 HydrophobicContact CD2-CD1 4.22Å
144	L	94	Very high	93.4	Very high	10 Å²	10	34.7 Å²	34.7	5%	0.052	20%	0.203	C	C	.	.	H	α-helix	trans	-70.4	-22.9	-179.9	-65.4	-179.3	0	0	0	113.1	F140 Q142 K152 L157 P160 Y163 L166 L211	F140-L144 WeakPolarHBondContact O-CB 3.41Å; F140-L144 WeakPolarHBondContact O-CG 3.19Å; F140-L144 PolarHBondContact O-N 2.83Å; Q142-L144 PolarHBondContact O-N 3.29Å; L144-K152 WeakPolarHBondContact O-CE 3.19Å; L144-K152 PolarHBondContact O-NZ 3.48Å; L144-L157 HydrophobicContact CD2-CB 3.83Å; L144-L157 HydrophobicContact CD2-CD1 4.18Å; L144-L157 HydrophobicContact CD2-CD2 4.09Å; L144-L157 HydrophobicContact CD2-CG 4.25Å; L144-P160 HydrophobicContact CB-CG 4.06Å; L144-P160 HydrophobicContact CD1-CB 4.1Å; L144-P160 HydrophobicContact CD1-CG 3.77Å; L144-Y163 HydrophobicContact CD1-CD2 4Å; L144-Y163 HydrophobicContact CD1-CE2 4.13Å; L144-L166 HydrophobicContact CD1-CD1 3.56Å; L144-L211 HydrophobicContact CD1-CD1 4.14Å; L144-L211 HydrophobicContact CD2-CD1 4.48Å; L144-L211 HydrophobicContact CG-CD1 4.46Å
145	A	92.6	Very high	93.7	Very high	46 Å²	46	34.6 Å²	34.6	38%	0.38	20%	0.202	S	C	.	.	H	α-helix	trans	-84.8	-38.1	173.3	0	0	0	0	0	113	Y141 Q142 L143 D179 A180	Y141-A145 WeakPolarHBondContact O-CB 3.24Å; Y141-A145 PolarHBondContact O-N 3.13Å; Q142-A145 PolarHBondContact O-N 3.09Å; L143-A145 VanDerWaalsContact C-N 3.29Å; L143-A145 PolarHBondContact O-N 3.15Å; A145-D179 HydrophobicContact CB-CB 3.79Å; A145-A180 HydrophobicContact CB-CB 3.97Å
146	G	92.5	Very high	93.8	Very high	27 Å²	27	35.3 Å²	35.3	28%	0.278	21%	0.209	S	C	.	.	H	α-helix	trans	-94.8	-28.4	-167.6	0	0	0	0	0	116.6	Q142 L143	Q142-G146 PolarHBondContact O-N 3.38Å; L143-G146 PolarHBondContact O-N 2.84Å
147	L	93.6	Very high	93.9	Very high	17 Å²	17	35.7 Å²	35.7	9%	0.089	21%	0.211	C	C	.	.	S	Bend	trans	-64.9	146.9	175.5	-73.8	-179.8	0	0	0	112	L143 T151 K152 L157 Y183 I204	L143-L147 HydrophobicContact CD1-CD1 3.64Å; L143-L147 HydrophobicContact CD1-CD2 4.34Å; L143-L147 HydrophobicContact CD1-CG 3.83Å; L143-L147 HydrophobicContact CG-CD1 3.87Å; L143-L147 HydrophobicContact CG-CG 4.29Å; L143-L147 WeakPolarHBondContact O-CB 3.18Å; L143-L147 WeakPolarHBondContact O-CG 3.47Å; L143-L147 PolarHBondContact O-N 2.88Å; L143-L147 VanDerWaalsContact O-N 3.09Å; L147-T151 HydrophobicContact CD1-CG2 4.31Å; L147-T151 HydrophobicContact CD2-CG2 3.92Å; L147-K152 HydrophobicContact CB-CD 4.29Å; L147-K152 HydrophobicContact CB-CG 3.84Å; L147-K152 HydrophobicContact CD1-CG 4.39Å; L147-K152 VanDerWaalsContact O-CE 3.27Å; L147-K152 WeakPolarHBondContact O-CE 3.16Å; L147-K152 PolarHBondContact O-NZ 2.95Å; L147-L157 HydrophobicContact CD1-CD1 3.89Å; L147-Y183 HydrophobicContact CD2-CE1 4.25Å; L147-Y183 WeakPolarHBondContact CD2-OH 3.2Å; L147-I204 HydrophobicContact CD1-CG2 4.1Å; L147-I204 HydrophobicContact CD2-CD1 4.28Å
148	D	92.8	Very high	93.8	Very high	80 Å²	80	38.9 Å²	38.9	43%	0.428	23%	0.231	S	C	.	.			trans	-70.9	168.8	170.2	72	89.7	0	0	0	112.3	Q150 T151 K152	D148-Q150 WeakPolarHBondContact OD1-CA 3.41Å; D148-Q150 WeakPolarHBondContact OD1-CB 3.49Å; D148-Q150 PolarHBondContact OD1-N 3.21Å; D148-T151 PolarHBondContact OD1-N 3.05Å; D148-T151 PolarHBondContact OD1-OG1 2.89Å; D148-T151 WeakPolarHBondContact OD2-CB 3.45Å; D148-T151 PolarHBondContact OD2-OG1 3.33Å; D148-K152 VanDerWaalsContact O-CB 3.31Å; D148-K152 WeakPolarHBondContact O-CB 3.45Å; D148-K152 WeakPolarHBondContact O-CD 3.24Å; D148-K152 VanDerWaalsContact O-CG 3.28Å; D148-K152 WeakPolarHBondContact O-CG 3.48Å; D148-K152 PolarHBondContact O-N 3.4Å
149	A	91.7	Very high	93.6	Very high	81 Å²	81	42.1 Å²	42.1	67%	0.669	25%	0.248	S	C	*	.	H	α-helix	trans	-68.3	-33.7	-175.7	0	0	0	0	0	114	Q153	A149-Q153 WeakPolarHBondContact O-CB 3.33Å; A149-Q153 PolarHBondContact O-N 2.99Å
150	Q	92.5	Very high	93.3	Very high	156 Å²	156	43 Å²	43	73%	0.729	25%	0.254	S	S	*	.	H	α-helix	trans	-74.3	-46.7	-178.4	-176.3	179	-4.9	0	0	110.5	D148 K152 Q153 S154	D148-Q150 WeakPolarHBondContact OD1-CA 3.41Å; D148-Q150 WeakPolarHBondContact OD1-CB 3.49Å; D148-Q150 PolarHBondContact OD1-N 3.21Å; Q150-K152 VanDerWaalsContact C-N 3.34Å; Q150-K152 PolarHBondContact O-N 3.09Å; Q150-Q153 PolarHBondContact O-N 3.35Å; Q150-S154 PolarHBondContact O-N 3.5Å
151	T	91.5	Very high	93	Very high	42 Å²	42	48.6 Å²	48.6	26%	0.258	28%	0.278	S	S	.	.	H	α-helix	trans	-62.9	-41.2	175.8	-55	0	0	0	0	111	L147 D148 Q153 S154 F155	L147-T151 HydrophobicContact CD1-CG2 4.31Å; L147-T151 HydrophobicContact CD2-CG2 3.92Å; D148-T151 PolarHBondContact OD1-N 3.05Å; D148-T151 PolarHBondContact OD1-OG1 2.89Å; D148-T151 WeakPolarHBondContact OD2-CB 3.45Å; D148-T151 PolarHBondContact OD2-OG1 3.33Å; T151-Q153 PolarHBondContact O-N 3.41Å; T151-S154 PolarHBondContact O-N 3.03Å; T151-S154 PolarHBondContact O-OG 3.47Å; T151-F155 HydrophobicContact CG2-CD2 3.86Å; T151-F155 HydrophobicContact CG2-CE2 3.59Å; T151-F155 WeakPolarHBondContact O-CD2 3.22Å; T151-F155 PolarHBondContact O-N 2.85Å
152	K	93.6	Very high	92.9	Very high	42 Å²	42	52.7 Å²	52.7	18%	0.183	30%	0.3	C	S	.	.	H	α-helix	trans	-54.8	-50.3	171.4	-85.2	165.8	171.3	152.8	0	112.2	L144 L147 D148 Q150 S154 F155 G156 L157	L144-K152 WeakPolarHBondContact O-CE 3.19Å; L144-K152 PolarHBondContact O-NZ 3.48Å; L147-K152 HydrophobicContact CB-CD 4.29Å; L147-K152 HydrophobicContact CB-CG 3.84Å; L147-K152 HydrophobicContact CD1-CG 4.39Å; L147-K152 VanDerWaalsContact O-CE 3.27Å; L147-K152 WeakPolarHBondContact O-CE 3.16Å; L147-K152 PolarHBondContact O-NZ 2.95Å; D148-K152 VanDerWaalsContact O-CB 3.31Å; D148-K152 WeakPolarHBondContact O-CB 3.45Å; D148-K152 WeakPolarHBondContact O-CD 3.24Å; D148-K152 VanDerWaalsContact O-CG 3.28Å; D148-K152 WeakPolarHBondContact O-CG 3.48Å; D148-K152 PolarHBondContact O-N 3.4Å; Q150-K152 VanDerWaalsContact C-N 3.34Å; Q150-K152 PolarHBondContact O-N 3.09Å; K152-S154 VanDerWaalsContact C-N 3.32Å; K152-S154 PolarHBondContact O-N 3.4Å; K152-F155 CarbonylContact O-C 3.59Å; K152-F155 PolarHBondContact O-N 3.34Å; K152-F155 VanDerWaalsContact O-N 3.08Å; K152-G156 PolarHBondContact O-N 3.38Å; K152-L157 HydrophobicContact CB-CB 4.2Å; K152-L157 HydrophobicContact CG-CB 4.1Å; K152-L157 PolarHBondContact O-N 3.05Å
153	Q	93.3	Very high	92.9	Very high	155 Å²	155	52.6 Å²	52.6	72%	0.724	30%	0.3	S	S	*	.	H	α-helix	trans	-61.5	-38	-179.4	-168.5	174.4	14.3	0	0	112.4	A149 Q150 T151 F155 G156	A149-Q153 WeakPolarHBondContact O-CB 3.33Å; A149-Q153 PolarHBondContact O-N 2.99Å; Q150-Q153 PolarHBondContact O-N 3.35Å; T151-Q153 PolarHBondContact O-N 3.41Å; Q153-F155 PolarHBondContact O-N 3.25Å; Q153-G156 PolarHBondContact O-N 3.26Å
154	S	93.4	Very high	92.8	Very high	53 Å²	53	56.6 Å²	56.6	37%	0.371	32%	0.317	S	S	.	.	H	α-helix	trans	-66.3	-17.8	176.2	62.7	0	0	0	0	114.9	Q150 T151 K152	Q150-S154 PolarHBondContact O-N 3.5Å; T151-S154 PolarHBondContact O-N 3.03Å; T151-S154 PolarHBondContact O-OG 3.47Å; K152-S154 VanDerWaalsContact C-N 3.32Å; K152-S154 PolarHBondContact O-N 3.4Å
155	F	94.5	Very high	92.9	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.018	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	7.3	178.5	-67.8	-57.7	0	0	0	113.8	T151 K152 Q153 L157 H201 I204 R205 A208 H212 L244	T151-F155 HydrophobicContact CG2-CD2 3.86Å; T151-F155 HydrophobicContact CG2-CE2 3.59Å; T151-F155 WeakPolarHBondContact O-CD2 3.22Å; T151-F155 PolarHBondContact O-N 2.85Å; K152-F155 CarbonylContact O-C 3.59Å; K152-F155 PolarHBondContact O-N 3.34Å; K152-F155 VanDerWaalsContact O-N 3.08Å; Q153-F155 PolarHBondContact O-N 3.25Å; F155-L157 HydrophobicContact CB-CD1 3.89Å; F155-L157 HydrophobicContact CB-CG 3.75Å; F155-L157 PolarHBondContact O-N 3.38Å; F155-H201 AromaticContact CE1-CE1 3.55Å; F155-H201 AromaticContact CE1-ND1 3.97Å; F155-H201 AromaticContact CZ-CD2 3.89Å; F155-H201 AromaticContact CZ-CE1 3.42Å; F155-H201 VanDerWaalsContact CZ-CE1 3.42Å; F155-H201 WeakPolarHBondContact CZ-CE1 3.35Å; F155-H201 AromaticContact CZ-CG 4Å; F155-H201 AromaticContact CZ-ND1 3.71Å; F155-H201 AromaticContact CZ-NE2 3.54Å; F155-I204 HydrophobicContact CD2-CG2 3.55Å; F155-I204 HydrophobicContact CE1-CG2 4.49Å; F155-I204 HydrophobicContact CE2-CB 4.18Å; F155-I204 HydrophobicContact CE2-CG2 3.3Å; F155-I204 HydrophobicContact CG-CG2 4.26Å; F155-I204 HydrophobicContact CZ-CB 4.31Å; F155-I204 HydrophobicContact CZ-CG2 3.82Å; F155-R205 HydrophobicContact CD1-CB 4.42Å; F155-R205 HydrophobicContact CE1-CB 3.82Å; F155-R205 HydrophobicContact CE1-CG 4.3Å; F155-A208 HydrophobicContact CB-CB 4.15Å; F155-H212 PolarHBondContact O-NE2 2.94Å; F155-L244 HydrophobicContact CB-CD2 4.43Å; F155-L244 HydrophobicContact CD1-CD2 3.7Å
156	G	93.2	Very high	92.9	Very high	15 Å²	15	54 Å²	54	16%	0.155	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	12	-176.2	0	0	0	0	0	114.8	K152 Q153 Y163 H212	K152-G156 PolarHBondContact O-N 3.38Å; Q153-G156 PolarHBondContact O-N 3.26Å; G156-Y163 PolarHBondContact O-OH 3.35Å; G156-H212 PolarHBondContact O-CE1 2.85Å; G156-H212 VanDerWaalsContact O-CE1 3.31Å; G156-H212 PolarHBondContact O-NE2 2.85Å
157	L	95	Very high	92.8	Very high	8 Å²	8	55.3 Å²	55.3	4%	0.042	30%	0.298	C	S	.	.			trans	-84.1	131.1	-167.1	-64.1	-179.2	0	0	0	114	L143 L144 L147 K152 F155 Y163 A208 L211	L143-L157 HydrophobicContact CD2-CD1 4.17Å; L144-L157 HydrophobicContact CD2-CB 3.83Å; L144-L157 HydrophobicContact CD2-CD1 4.18Å; L144-L157 HydrophobicContact CD2-CD2 4.09Å; L144-L157 HydrophobicContact CD2-CG 4.25Å; L147-L157 HydrophobicContact CD1-CD1 3.89Å; K152-L157 HydrophobicContact CB-CB 4.2Å; K152-L157 HydrophobicContact CG-CB 4.1Å; K152-L157 PolarHBondContact O-N 3.05Å; F155-L157 HydrophobicContact CB-CD1 3.89Å; F155-L157 HydrophobicContact CB-CG 3.75Å; F155-L157 PolarHBondContact O-N 3.38Å; L157-Y163 VanDerWaalsContact CA-OH 3.3Å; L157-Y163 WeakPolarHBondContact CA-OH 3.4Å; L157-A208 HydrophobicContact CD1-CB 4.28Å; L157-A208 HydrophobicContact CD2-CB 3.8Å; L157-A208 HydrophobicContact CG-CB 4.25Å; L157-L211 HydrophobicContact CD2-CD1 4.2Å
158	T	93	Very high	92.4	Very high	66 Å²	66	57 Å²	57	41%	0.405	31%	0.305	S	S	.	.			trans	-133.1	-158.3	-175.7	65.3	0	0	0	0	112.5	N162 Y163	T158-N162 WeakPolarHBondContact CB-ND2 3.45Å; T158-N162 WeakPolarHBondContact OG1-CB 3.5Å; T158-N162 PolarHBondContact OG1-ND2 3.07Å; T158-Y163 PolarHBondContact N-OH 2.7Å; T158-Y163 PolarHBondContact OG1-OH 2.94Å
159	D	90.5	Very high	91.8	Very high	68 Å²	68	53.3 Å²	53.3	36%	0.364	29%	0.285	S	S	.	.			trans	-65.8	140.6	-179.9	-175.4	-70.5	0	0	0	111.5	K161 N162	D159-K161 PolarHBondContact O-N 2.73Å; D159-K161 VanDerWaalsContact OD1-CB 3.3Å; D159-K161 WeakPolarHBondContact OD1-CB 3.45Å; D159-K161 WeakPolarHBondContact OD1-CG 3.46Å; D159-K161 PolarHBondContact OD1-N 3.11Å; D159-K161 IonicContact OD1-NZ 2.76Å; D159-K161 PolarHBondContact OD1-NZ 2.65Å; D159-K161 IonicContact OD2-NZ 2.97Å; D159-K161 PolarHBondContact OD2-NZ 2.89Å; D159-N162 WeakPolarHBondContact O-CB 3.23Å; D159-N162 PolarHBondContact O-N 3.36Å
160	P	91.1	Very high	91.2	Very high	20 Å²	20	57.6 Å²	57.6	13%	0.13	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-51.7	-25.1	178.3	-27.6	32.8	0	0	0	115.8	Y141 L144 N162 Y163 L166 V172	Y141-P160 HydrophobicContact CD1-CB 4.33Å; Y141-P160 HydrophobicContact CE1-CB 4.38Å; L144-P160 HydrophobicContact CB-CG 4.06Å; L144-P160 HydrophobicContact CD1-CB 4.1Å; L144-P160 HydrophobicContact CD1-CG 3.77Å; P160-N162 PolarHBondContact O-N 3.05Å; P160-Y163 PolarHBondContact O-N 3.44Å; P160-L166 HydrophobicContact CB-CB 4.48Å; P160-L166 HydrophobicContact CB-CD1 4.11Å; P160-L166 WeakPolarHBondContact O-CB 3.37Å; P160-V172 HydrophobicContact CB-CG1 3.81Å; P160-V172 HydrophobicContact CG-CG1 4.17Å
161	K	90.3	Very high	90.2	Very high	119 Å²	119	50.4 Å²	50.4	52%	0.517	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-65.1	-24.8	176.2	-63.2	171.5	-147.8	83.5	0	112.9	D159 Y163 N167 V172	D159-K161 PolarHBondContact O-N 2.73Å; D159-K161 VanDerWaalsContact OD1-CB 3.3Å; D159-K161 WeakPolarHBondContact OD1-CB 3.45Å; D159-K161 WeakPolarHBondContact OD1-CG 3.46Å; D159-K161 PolarHBondContact OD1-N 3.11Å; D159-K161 IonicContact OD1-NZ 2.76Å; D159-K161 PolarHBondContact OD1-NZ 2.65Å; D159-K161 IonicContact OD2-NZ 2.97Å; D159-K161 PolarHBondContact OD2-NZ 2.89Å; K161-Y163 VanDerWaalsContact C-N 3.28Å; K161-Y163 PolarHBondContact O-N 3.29Å; K161-N167 WeakPolarHBondContact O-CB 3.49Å; K161-N167 PolarHBondContact O-ND2 3.31Å; K161-V172 HydrophobicContact CG-CG2 4.42Å
162	N	92.3	Very high	89.3	Confident	91 Å²	91	50 Å²	50	49%	0.487	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-80.4	-8.1	-176.6	-60.4	-8	0	0	0	113.2	T158 D159 P160 N215	T158-N162 WeakPolarHBondContact CB-ND2 3.45Å; T158-N162 WeakPolarHBondContact OG1-CB 3.5Å; T158-N162 PolarHBondContact OG1-ND2 3.07Å; D159-N162 WeakPolarHBondContact O-CB 3.23Å; D159-N162 PolarHBondContact O-N 3.36Å; P160-N162 PolarHBondContact O-N 3.05Å; N162-N215 PolarHBondContact O-ND2 2.75Å; N162-N215 PolarHBondContact O-OD1 3.37Å
163	Y	94.4	Very high	88.3	Confident	3 Å²	3	52.7 Å²	52.7	1%	0.012	28%	0.278	C	S	.	.			trans	-105.9	122.1	179.6	-61.1	-72.7	0	0	0	111.1	L144 G156 L157 T158 P160 K161 Y165 L166 N167 L211 N215	L144-Y163 HydrophobicContact CD1-CD2 4Å; L144-Y163 HydrophobicContact CD1-CE2 4.13Å; G156-Y163 PolarHBondContact O-OH 3.35Å; L157-Y163 VanDerWaalsContact CA-OH 3.3Å; L157-Y163 WeakPolarHBondContact CA-OH 3.4Å; T158-Y163 PolarHBondContact N-OH 2.7Å; T158-Y163 PolarHBondContact OG1-OH 2.94Å; P160-Y163 PolarHBondContact O-N 3.44Å; K161-Y163 VanDerWaalsContact C-N 3.28Å; K161-Y163 PolarHBondContact O-N 3.29Å; Y163-Y165 PolarHBondContact O-N 3.13Å; Y163-L166 HydrophobicContact CD2-CD1 4.3Å; Y163-L166 PolarHBondContact O-N 3.03Å; Y163-N167 VanDerWaalsContact O-CG 3.31Å; Y163-N167 PolarHBondContact O-N 3.04Å; Y163-N167 VanDerWaalsContact O-N 3.09Å; Y163-N167 PolarHBondContact O-ND2 2.8Å; Y163-L211 HydrophobicContact CD1-CB 3.72Å; Y163-L211 HydrophobicContact CD2-CD1 4.44Å; Y163-L211 HydrophobicContact CE1-CB 4.13Å; Y163-L211 HydrophobicContact CG-CB 4.1Å; Y163-L211 HydrophobicContact CG-CD1 4.46Å; Y163-L211 HydrophobicContact CG-CD2 4.36Å; Y163-N215 WeakPolarHBondContact CA-OD1 3.41Å
164	F	93.7	Very high	87.2	Confident	86 Å²	86	46.3 Å²	46.3	38%	0.377	25%	0.249	S	C	.	.	H	α-helix	trans	-53.9	-39.6	178.6	176.7	-105.3	0	0	0	112.1	L166 N167 Q168 G214 N215 R272	F164-L166 PolarHBondContact O-N 3.24Å; F164-N167 PolarHBondContact O-OD1 3.47Å; F164-Q168 WeakPolarHBondContact O-CG 3.42Å; F164-Q168 PolarHBondContact O-NE2 2.76Å; F164-G214 VanDerWaalsContact CB-O 3.24Å; F164-G214 WeakPolarHBondContact CB-O 3.34Å; F164-G214 WeakPolarHBondContact CD1-O 3.45Å; F164-N215 PolarHBondContact N-OD1 3.48Å; F164-R272 VanDerWaalsContact CE1-NH2 3.34Å
165	Y	94.8	Very high	86	Confident	1 Å²	1	48.9 Å²	48.9	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-73.4	-3	177.4	-68.6	-21.4	0	0	0	115.2	L127 V128 Q130 N136 Y163 V210 D273 A276	L127-Y165 WeakPolarHBondContact O-CB 3.26Å; V128-Y165 HydrophobicContact CB-CD1 4.02Å; V128-Y165 HydrophobicContact CB-CE1 3.64Å; V128-Y165 HydrophobicContact CG1-CD1 4.23Å; V128-Y165 HydrophobicContact CG1-CE1 3.65Å; V128-Y165 HydrophobicContact CG1-CE2 4.32Å; Q130-Y165 PolarHBondContact NE2-O 3.12Å; Q130-Y165 PolarHBondContact OE1-O 2.81Å; N136-Y165 PolarHBondContact ND2-O 3.05Å; Y163-Y165 PolarHBondContact O-N 3.13Å; Y165-V210 HydrophobicContact CD2-CG1 4.43Å; Y165-V210 WeakPolarHBondContact CD2-O 2.94Å; Y165-V210 WeakPolarHBondContact CE2-O 3.46Å; Y165-D273 PolarHBondContact OH-OD1 3.41Å; Y165-A276 HydrophobicContact CE2-CB 3.62Å
166	L	93.2	Very high	84.7	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-121	-19.3	-179.8	-60.1	-177.9	0	0	0	114.1	N136 F140 Y141 L144 P160 Y163 F164 L211	N136-L166 HydrophobicContact CB-CD2 3.74Å; F140-L166 HydrophobicContact CB-CD1 4.19Å; F140-L166 HydrophobicContact CB-CD2 3.64Å; F140-L166 HydrophobicContact CD2-CD2 4.38Å; F140-L166 HydrophobicContact CG-CD2 4.07Å; Y141-L166 HydrophobicContact CE1-CB 4.31Å; Y141-L166 HydrophobicContact CE1-CD2 4.35Å; Y141-L166 HydrophobicContact CE2-CD2 4.07Å; Y141-L166 PolarHBondContact OH-O 2.88Å; L144-L166 HydrophobicContact CD1-CD1 3.56Å; P160-L166 HydrophobicContact CB-CB 4.48Å; P160-L166 HydrophobicContact CB-CD1 4.11Å; P160-L166 WeakPolarHBondContact O-CB 3.37Å; Y163-L166 HydrophobicContact CD2-CD1 4.3Å; Y163-L166 PolarHBondContact O-N 3.03Å; F164-L166 PolarHBondContact O-N 3.24Å; L166-L211 HydrophobicContact CD1-CD1 4.25Å; L166-L211 HydrophobicContact CD1-CD2 3.62Å; L166-L211 HydrophobicContact CD2-CD2 4Å; L166-L211 HydrophobicContact CG-CD2 3.63Å
167	N	89.9	Confident	83.7	Confident	54 Å²	54	55.4 Å²	55.4	29%	0.289	31%	0.31	S	S	.	.	H	α-helix	trans	-94.7	-19.9	-170.1	72	18.8	0	0	0	114.7	K161 Y163 F164 G169 K170	K161-N167 WeakPolarHBondContact O-CB 3.49Å; K161-N167 PolarHBondContact O-ND2 3.31Å; Y163-N167 VanDerWaalsContact O-CG 3.31Å; Y163-N167 PolarHBondContact O-N 3.04Å; Y163-N167 VanDerWaalsContact O-N 3.09Å; Y163-N167 PolarHBondContact O-ND2 2.8Å; F164-N167 PolarHBondContact O-OD1 3.47Å; N167-G169 PolarHBondContact O-N 3.48Å; N167-K170 WeakPolarHBondContact O-CA 3.45Å; N167-K170 WeakPolarHBondContact O-CG 3.14Å; N167-K170 PolarHBondContact O-N 3.34Å
168	Q	86.1	Confident	83.3	Confident	53 Å²	53	57.9 Å²	57.9	25%	0.248	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-48.8	-170.8	-40	178.2	-9.1	0	0	113.3	V128 A129 Q130 F164 K170	V128-Q168 PolarHBondContact O-NE2 3.47Å; V128-Q168 PolarHBondContact O-OE1 2.97Å; A129-Q168 VanDerWaalsContact CA-OE1 3.26Å; Q130-Q168 VanDerWaalsContact N-OE1 3.1Å; F164-Q168 WeakPolarHBondContact O-CG 3.42Å; F164-Q168 PolarHBondContact O-NE2 2.76Å; Q168-K170 PolarHBondContact O-N 3.44Å
169	G	80.6	Confident	83.2	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.01	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-16.7	178.4	0	0	0	0	0	113.1	S131 Q133 N167 G171	S131-G169 WeakPolarHBondContact O-CA 3.42Å; Q133-G169 WeakPolarHBondContact CA-O 3.36Å; Q133-G169 PolarHBondContact N-O 2.91Å; N167-G169 PolarHBondContact O-N 3.48Å; G169-G171 PolarHBondContact O-N 3.1Å
170	K	79.4	Confident	83.3	Confident	172 Å²	172	54.3 Å²	54.3	75%	0.748	32%	0.315	S	S	*	.			trans	56.7	10.6	-174.8	-54.1	-172.6	-178.7	-170.4	0	114.7	N167 Q168 V172	N167-K170 WeakPolarHBondContact O-CA 3.45Å; N167-K170 WeakPolarHBondContact O-CG 3.14Å; N167-K170 PolarHBondContact O-N 3.34Å; Q168-K170 PolarHBondContact O-N 3.44Å; K170-V172 PolarHBondContact O-N 2.97Å
171	G	71.2	Confident	83.4	Confident	5 Å²	5	55.4 Å²	55.4	5%	0.052	32%	0.324	C	S	.	.			trans	-93.4	30.9	-175	0	0	0	0	0	115.1	R135 G169 S173	R135-G171 VanDerWaalsContact CD-O 3.31Å; R135-G171 WeakPolarHBondContact CD-O 3.45Å; R135-G171 WeakPolarHBondContact CG-O 3.34Å; G169-G171 PolarHBondContact O-N 3.1Å; G171-S173 PolarHBondContact O-N 3.37Å
172	V	71	Confident	83.5	Confident	33 Å²	33	51.2 Å²	51.2	20%	0.2	31%	0.307	C	S	.	.			trans	-51.7	-50.7	-164.1	-179.4	0	0	0	0	113.7	R135 Y141 P160 K161 K170	R135-V172 VanDerWaalsContact CD-O 3.23Å; R135-V172 WeakPolarHBondContact CD-O 3.21Å; R135-V172 PolarHBondContact NH1-O 3.39Å; Y141-V172 HydrophobicContact CD1-CG1 4.41Å; Y141-V172 HydrophobicContact CE1-CG1 4.38Å; P160-V172 HydrophobicContact CB-CG1 3.81Å; P160-V172 HydrophobicContact CG-CG1 4.17Å; K161-V172 HydrophobicContact CG-CG2 4.42Å; K170-V172 PolarHBondContact O-N 2.97Å
173	S	72.6	Confident	83.7	Confident	98 Å²	98	47.6 Å²	47.6	69%	0.685	29%	0.286	S	S	*	.			trans	-88	136.7	-178.4	55	0	0	0	0	112.9	G171	G171-S173 PolarHBondContact O-N 3.37Å
174	L	72.2	Confident	83.7	Confident	21 Å²	21	55.6 Å²	55.6	11%	0.11	32%	0.316	C	S	.	.			trans	-101.8	137.2	162	-83.6	177.2	0	0	0	110.2	K89 D94 C176 K177	K89-L174 HydrophobicContact CD-CD2 3.59Å; K89-L174 HydrophobicContact CD-CG 4.29Å; K89-L174 HydrophobicContact CG-CD2 3.91Å; D94-L174 HydrophobicContact CB-CD1 4.48Å; D94-L174 HydrophobicContact CB-CD2 3.9Å; L174-C176 VanDerWaalsContact C-N 3.33Å; L174-K177 HydrophobicContact CB-CB 4.14Å; L174-K177 HydrophobicContact CD1-CB 4.01Å; L174-K177 HydrophobicContact CD1-CD 3.94Å; L174-K177 HydrophobicContact CD1-CG 4.11Å
175	A	68	Low	83.8	Confident	107 Å²	107	56.7 Å²	56.7	88%	0.884	33%	0.326	S	S	*	.	S	Bend	trans	-75.1	-25.8	171.5	0	0	0	0	0	112.5
176	C	65.8	Low	83.8	Confident	108 Å²	108	56.9 Å²	56.9	73%	0.73	33%	0.327	S	S	*	.	S	Bend	trans	-102.6	3.1	-171	-47.2	0	0	0	0	114.3	L174	L174-C176 VanDerWaalsContact C-N 3.33Å
177	K	72	Confident	83.9	Confident	49 Å²	49	59.8 Å²	59.8	21%	0.213	34%	0.34	C	S	.	.			trans	-137.4	133.8	176.5	-78	-166.8	169	-168.8	0	109.8	N95 H138 L174	N95-K177 PolarHBondContact OD1-NZ 3.01Å; H138-K177 PolarHBondContact CD2-NZ 3.37Å; H138-K177 PolarHBondContact NE2-NZ 3.31Å; L174-K177 HydrophobicContact CB-CB 4.14Å; L174-K177 HydrophobicContact CD1-CB 4.01Å; L174-K177 HydrophobicContact CD1-CD 3.94Å; L174-K177 HydrophobicContact CD1-CG 4.11Å
178	A	86.8	Confident	84.1	Confident	60 Å²	60	59.8 Å²	59.8	50%	0.496	35%	0.348	S	S	.	.			trans	-99.5	92.9	169.4	0	0	0	0	0	108.1	A180 S181 D182	A178-A180 PolarHBondContact O-N 3.19Å; A178-S181 WeakPolarHBondContact CB-OG 3.36Å; A178-S181 PolarHBondContact O-N 3.12Å; A178-S181 PolarHBondContact O-OG 3.44Å; A178-D182 PolarHBondContact O-N 3.38Å; A178-D182 VanDerWaalsContact O-N 3.11Å
179	D	91.9	Very high	84.6	Confident	21 Å²	21	57.4 Å²	57.4	11%	0.112	34%	0.337	C	S	.	.	H	α-helix	trans	-54.2	-26.5	-172	-66.7	-64.4	0	0	0	113.3	R135 Q142 A145 Y183	R135-D179 IonicContact CZ-OD1 2.74Å; R135-D179 IonicContact CZ-OD2 2.81Å; R135-D179 IonicContact NH1-OD1 2.84Å; R135-D179 PolarHBondContact NH1-OD1 3.31Å; R135-D179 IonicContact NH1-OD2 2.9Å; R135-D179 PolarHBondContact NH1-OD2 3.08Å; R135-D179 IonicContact NH2-OD1 2.65Å; R135-D179 PolarHBondContact NH2-OD1 2.97Å; R135-D179 IonicContact NH2-OD2 2.71Å; Q142-D179 WeakPolarHBondContact CA-O 3.44Å; Q142-D179 HydrophobicContact CG-CB 4.32Å; A145-D179 HydrophobicContact CB-CB 3.79Å; D179-Y183 WeakPolarHBondContact O-CB 3.24Å; D179-Y183 PolarHBondContact O-N 3.39Å
180	A	91.7	Very high	85.3	Confident	38 Å²	38	58 Å²	58	31%	0.314	34%	0.34	S	S	.	.	H	α-helix	trans	-76.7	-25.6	174.2	0	0	0	0	0	115.5	A145 A178 R184	A145-A180 HydrophobicContact CB-CB 3.97Å; A178-A180 PolarHBondContact O-N 3.19Å; A180-R184 PolarHBondContact O-NE 3.39Å
181	S	93.2	Very high	86	Confident	43 Å²	43	55 Å²	55	30%	0.301	33%	0.329	S	S	.	.	H	α-helix	trans	-77.9	-40.2	166.6	51.8	0	0	0	0	110.7	A178 Y183 R184 L185	A178-S181 WeakPolarHBondContact CB-OG 3.36Å; A178-S181 PolarHBondContact O-N 3.12Å; A178-S181 PolarHBondContact O-OG 3.44Å; S181-Y183 VanDerWaalsContact C-N 3.26Å; S181-Y183 PolarHBondContact O-N 2.9Å; S181-R184 PolarHBondContact O-N 2.96Å; S181-R184 VanDerWaalsContact O-N 3.07Å; S181-L185 PolarHBondContact O-N 3.33Å; S181-L185 VanDerWaalsContact O-N 3.07Å
182	D	93.2	Very high	87	Confident	31 Å²	31	56.5 Å²	56.5	17%	0.166	34%	0.34	C	S	.	.	H	α-helix	trans	-60.4	-37.3	176.7	-68.2	24.1	0	0	0	111.3	Q142 A178 R184 L185 L186	Q142-D182 HydrophobicContact CG-CB 3.91Å; A178-D182 PolarHBondContact O-N 3.38Å; A178-D182 VanDerWaalsContact O-N 3.11Å; D182-R184 PolarHBondContact O-N 3.4Å; D182-L185 PolarHBondContact O-N 2.89Å; D182-L186 WeakPolarHBondContact O-CB 3.46Å; D182-L186 PolarHBondContact O-N 3.09Å
183	Y	95.3	Very high	88	Confident	14 Å²	14	54.9 Å²	54.9	6%	0.055	33%	0.331	C	S	.	.	H	α-helix	trans	-62.4	-39.2	173.3	-172.6	-99.7	0	0	0	113.2	Q142 L143 L147 D179 S181 L185 L186 E187	Q142-Y183 HydrophobicContact CB-CD2 4.13Å; Q142-Y183 WeakPolarHBondContact O-CB 3.15Å; Q142-Y183 WeakPolarHBondContact O-CD2 3.48Å; L143-Y183 HydrophobicContact CB-CE2 4.36Å; L143-Y183 HydrophobicContact CD1-CE2 3.67Å; L147-Y183 HydrophobicContact CD2-CE1 4.25Å; L147-Y183 WeakPolarHBondContact CD2-OH 3.2Å; D179-Y183 WeakPolarHBondContact O-CB 3.24Å; D179-Y183 PolarHBondContact O-N 3.39Å; S181-Y183 VanDerWaalsContact C-N 3.26Å; S181-Y183 PolarHBondContact O-N 2.9Å; Y183-L185 VanDerWaalsContact C-N 3.33Å; Y183-L186 HydrophobicContact CD2-CD2 4.38Å; Y183-L186 WeakPolarHBondContact O-CB 3.45Å; Y183-L186 PolarHBondContact O-N 3.27Å; Y183-E187 WeakPolarHBondContact O-CB 3.49Å; Y183-E187 PolarHBondContact O-N 2.96Å
184	R	95.5	Very high	88.9	Confident	171 Å²	171	55.8 Å²	55.8	65%	0.645	32%	0.322	S	S	*	.	H	α-helix	trans	-68.7	-33.1	176.7	-71.3	179.7	-72	179.2	2.9	112.1	A180 S181 D182 A188	A180-R184 PolarHBondContact O-NE 3.39Å; S181-R184 PolarHBondContact O-N 2.96Å; S181-R184 VanDerWaalsContact O-N 3.07Å; D182-R184 PolarHBondContact O-N 3.4Å; R184-A188 WeakPolarHBondContact O-CB 3.38Å; R184-A188 PolarHBondContact O-N 3.01Å
185	L	95.2	Very high	89.8	Confident	110 Å²	110	55 Å²	55	58%	0.576	32%	0.318	S	S	*	.	H	α-helix	trans	-68.5	-40.7	170.9	-65.2	174.2	0	0	0	111.8	T80 S181 D182 Y183 A189	T80-L185 HydrophobicContact CG2-CB 4.48Å; S181-L185 PolarHBondContact O-N 3.33Å; S181-L185 VanDerWaalsContact O-N 3.07Å; D182-L185 PolarHBondContact O-N 2.89Å; Y183-L185 VanDerWaalsContact C-N 3.33Å; L185-A189 WeakPolarHBondContact O-CB 3.43Å; L185-A189 PolarHBondContact O-N 3.31Å
186	L	96	Very high	90.8	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-61.3	-45.1	173.2	175.4	62.2	0	0	0	111.6	I81 F85 V139 D182 Y183 A189 L190	I81-L186 HydrophobicContact CB-CD1 4.22Å; I81-L186 HydrophobicContact CG1-CD1 3.86Å; I81-L186 HydrophobicContact CG2-CD1 4.41Å; F85-L186 HydrophobicContact CE2-CD1 4.26Å; F85-L186 HydrophobicContact CE2-CD2 4.43Å; V139-L186 HydrophobicContact CG2-CD2 4.03Å; D182-L186 WeakPolarHBondContact O-CB 3.46Å; D182-L186 PolarHBondContact O-N 3.09Å; Y183-L186 HydrophobicContact CD2-CD2 4.38Å; Y183-L186 WeakPolarHBondContact O-CB 3.45Å; Y183-L186 PolarHBondContact O-N 3.27Å; L186-A189 WeakPolarHBondContact O-CB 3.31Å; L186-A189 PolarHBondContact O-N 3.02Å; L186-L190 HydrophobicContact CD1-CG 4.44Å; L186-L190 HydrophobicContact CG-CD1 4.34Å; L186-L190 WeakPolarHBondContact O-CG 3.31Å; L186-L190 PolarHBondContact O-N 2.71Å
187	E	94.5	Very high	92	Very high	63 Å²	63	55.8 Å²	55.8	29%	0.294	30%	0.301	S	S	.	.	H	α-helix	trans	-63	-46.3	178.8	177.8	149.3	-133.6	0	0	112.2	Y183 A189 L190 E191 K200	Y183-E187 WeakPolarHBondContact O-CB 3.49Å; Y183-E187 PolarHBondContact O-N 2.96Å; E187-A189 VanDerWaalsContact C-N 3.28Å; E187-A189 PolarHBondContact O-N 3.07Å; E187-L190 PolarHBondContact O-N 2.76Å; E187-E191 PolarHBondContact O-N 3.32Å; E187-K200 VanDerWaalsContact CG-NZ 3.35Å; E187-K200 IonicContact OE1-NZ 3.89Å; E187-K200 PolarHBondContact OE1-NZ 3Å
188	A	95	Very high	92.8	Very high	53 Å²	53	58.3 Å²	58.3	44%	0.438	32%	0.317	S	S	.	.	H	α-helix	trans	-61	-36	173.7	0	0	0	0	0	112.4	R184 E191 A192	R184-A188 WeakPolarHBondContact O-CB 3.38Å; R184-A188 PolarHBondContact O-N 3.01Å; A188-E191 PolarHBondContact O-N 3.45Å; A188-A192 WeakPolarHBondContact O-CB 3.35Å; A188-A192 PolarHBondContact O-N 3.22Å
189	A	96	Very high	93	Very high	4 Å²	4	57.3 Å²	57.3	3%	0.033	30%	0.302	C	S	.	.	H	α-helix	trans	-69.1	-36.8	176.2	0	0	0	0	0	113	T80 I81 L185 L186 E187 E191 L193	T80-A189 HydrophobicContact CG2-CB 4.2Å; I81-A189 HydrophobicContact CD1-CB 4.43Å; I81-A189 HydrophobicContact CG1-CB 4Å; L185-A189 WeakPolarHBondContact O-CB 3.43Å; L185-A189 PolarHBondContact O-N 3.31Å; L186-A189 WeakPolarHBondContact O-CB 3.31Å; L186-A189 PolarHBondContact O-N 3.02Å; E187-A189 VanDerWaalsContact C-N 3.28Å; E187-A189 PolarHBondContact O-N 3.07Å; A189-E191 VanDerWaalsContact C-N 3.34Å; A189-L193 PolarHBondContact O-N 2.9Å
190	L	95.7	Very high	93	Very high	13 Å²	13	57.3 Å²	57.3	7%	0.068	30%	0.301	C	S	.	.	H	α-helix	trans	-63.5	-40.1	171.9	-67.7	168	0	0	0	111	I81 L186 E187 K194 I195 I203 L287	I81-L190 HydrophobicContact CD1-CD2 3.83Å; I81-L190 HydrophobicContact CD1-CG 4.39Å; I81-L190 HydrophobicContact CG1-CD2 4.14Å; I81-L190 HydrophobicContact CG1-CG 4.45Å; L186-L190 HydrophobicContact CD1-CG 4.44Å; L186-L190 HydrophobicContact CG-CD1 4.34Å; L186-L190 WeakPolarHBondContact O-CG 3.31Å; L186-L190 PolarHBondContact O-N 2.71Å; E187-L190 PolarHBondContact O-N 2.76Å; L190-K194 PolarHBondContact O-N 3.45Å; L190-I195 HydrophobicContact CB-CB 4.47Å; L190-I195 HydrophobicContact CD2-CD1 3.6Å; L190-I195 WeakPolarHBondContact O-CB 3.3Å; L190-I195 PolarHBondContact O-N 2.96Å; L190-I203 HydrophobicContact CD2-CD1 4.21Å; L190-L287 HydrophobicContact CD2-CD2 4.38Å
191	E	93.4	Very high	92.9	Very high	110 Å²	110	60.1 Å²	60.1	51%	0.514	31%	0.307	S	S	.	.	H	α-helix	trans	-69.1	-41.8	176.6	-72.2	-179.8	-175	0	0	113.3	E187 A188 A189 L193 K194 K200	E187-E191 PolarHBondContact O-N 3.32Å; A188-E191 PolarHBondContact O-N 3.45Å; A189-E191 VanDerWaalsContact C-N 3.34Å; E191-L193 VanDerWaalsContact C-N 3.28Å; E191-L193 PolarHBondContact O-N 2.84Å; E191-K194 VanDerWaalsContact O-CA 3.29Å; E191-K194 WeakPolarHBondContact O-CA 3.43Å; E191-K194 PolarHBondContact O-N 3.27Å; E191-K200 IonicContact OE1-NZ 3.53Å; E191-K200 PolarHBondContact OE1-NZ 3.02Å
192	A	91.7	Very high	92.8	Very high	35 Å²	35	58.9 Å²	58.9	29%	0.289	30%	0.299	S	S	.	.	H	α-helix	trans	-59.2	-39.4	176.5	0	0	0	0	0	112.1	S77 A188 K194	S77-A192 VanDerWaalsContact OG-CB 3.28Å; S77-A192 WeakPolarHBondContact OG-CB 3.36Å; A188-A192 WeakPolarHBondContact O-CB 3.35Å; A188-A192 PolarHBondContact O-N 3.22Å; A192-K194 PolarHBondContact O-N 3.15Å
193	L	92.1	Very high	92.8	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	8.5	172	-77.3	159.5	0	0	0	113.9	E74 A78 I81 A189 E191 I195 I291 R294	E74-L193 HydrophobicContact CB-CD2 3.9Å; E74-L193 HydrophobicContact CG-CD2 4.42Å; A78-L193 HydrophobicContact CB-CD1 4.02Å; I81-L193 HydrophobicContact CD1-CD1 3.45Å; I81-L193 VanDerWaalsContact CD1-CD1 3.45Å; A189-L193 PolarHBondContact O-N 2.9Å; E191-L193 VanDerWaalsContact C-N 3.28Å; E191-L193 PolarHBondContact O-N 2.84Å; L193-I195 VanDerWaalsContact C-N 3.29Å; L193-I195 PolarHBondContact O-N 3.4Å; L193-I291 HydrophobicContact CD1-CG1 4Å; L193-R294 HydrophobicContact CD2-CB 3.61Å; L193-R294 HydrophobicContact CD2-CG 3.84Å; L193-R294 WeakPolarHBondContact O-CG 3.16Å; L193-R294 PolarHBondContact O-NE 2.9Å
194	K	91.7	Very high	92.8	Very high	116 Å²	116	57.9 Å²	57.9	50%	0.504	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	46	174.3	-55.3	148.9	-171.5	142	0	111.3	E74 L190 E191 A192 R294	E74-K194 IonicContact OE1-NZ 3.22Å; E74-K194 PolarHBondContact OE1-NZ 3.09Å; L190-K194 PolarHBondContact O-N 3.45Å; E191-K194 VanDerWaalsContact O-CA 3.29Å; E191-K194 WeakPolarHBondContact O-CA 3.43Å; E191-K194 PolarHBondContact O-N 3.27Å; A192-K194 PolarHBondContact O-N 3.15Å; K194-R294 PolarHBondContact O-NH2 2.92Å
195	I	91.2	Very high	92.6	Very high	6 Å²	6	50.4 Å²	50.4	3%	0.031	27%	0.266	C	S	.	.			trans	-84.1	120.4	165.3	-66.9	169.8	0	0	0	106.8	L190 L193 Q199 K200 I203 L287 H290	L190-I195 HydrophobicContact CB-CB 4.47Å; L190-I195 HydrophobicContact CD2-CD1 3.6Å; L190-I195 WeakPolarHBondContact O-CB 3.3Å; L190-I195 PolarHBondContact O-N 2.96Å; L193-I195 VanDerWaalsContact C-N 3.29Å; L193-I195 PolarHBondContact O-N 3.4Å; I195-Q199 HydrophobicContact CG2-CB 3.63Å; I195-K200 HydrophobicContact CG2-CG 4.45Å; I195-I203 HydrophobicContact CG2-CD1 4.06Å; I195-L287 HydrophobicContact CD1-CD2 4.29Å; I195-H290 VanDerWaalsContact CG1-CE1 3.46Å; I195-H290 WeakPolarHBondContact CG1-CE1 3.18Å
196	K	90	Very high	92.5	Very high	137 Å²	137	45.2 Å²	45.2	60%	0.596	24%	0.239	S	C	*	.			trans	-72.6	162.5	-173.2	-59.3	179.9	-178.6	-179.2	0	112.5	D198 Q199 K200	K196-D198 VanDerWaalsContact C-N 3.31Å; K196-D198 WeakPolarHBondContact CB-OD1 3.42Å; K196-D198 WeakPolarHBondContact CD-OD1 3.45Å; K196-D198 PolarHBondContact O-N 3.47Å; K196-Q199 HydrophobicContact CB-CG 4.31Å; K196-Q199 CarbonylContact O-C 3.6Å; K196-Q199 WeakPolarHBondContact O-CA 3.38Å; K196-Q199 WeakPolarHBondContact O-CB 3.41Å; K196-Q199 PolarHBondContact O-N 3.16Å; K196-K200 PolarHBondContact O-N 2.92Å
197	S	90.2	Very high	92.5	Very high	93 Å²	93	45.1 Å²	45.1	65%	0.65	24%	0.238	S	C	*	.	H	α-helix	trans	-60.1	-34.4	178.9	-47.1	0	0	0	0	114.1	H201	S197-H201 WeakPolarHBondContact O-CB 3.46Å; S197-H201 PolarHBondContact O-N 3.18Å
198	D	88.7	Confident	92.6	Very high	103 Å²	103	42.1 Å²	42.1	55%	0.551	22%	0.224	S	C	*	.	H	α-helix	trans	-66.6	-38	172.8	58.7	-54.8	0	0	0	111.9	K196 H201 C202	K196-D198 VanDerWaalsContact C-N 3.31Å; K196-D198 WeakPolarHBondContact CB-OD1 3.42Å; K196-D198 WeakPolarHBondContact CD-OD1 3.45Å; K196-D198 PolarHBondContact O-N 3.47Å; D198-H201 PolarHBondContact O-N 2.86Å; D198-C202 PolarHBondContact O-N 3.06Å; D198-C202 VanDerWaalsContact O-N 3.07Å
199	Q	90.5	Very high	92.5	Very high	39 Å²	39	39.7 Å²	39.7	18%	0.182	20%	0.204	C	C	.	.	H	α-helix	trans	-70.4	-43.8	174.7	-60.5	173.9	-59.9	0	0	111.5	I195 K196 H201 C202 I203 W286	I195-Q199 HydrophobicContact CG2-CB 3.63Å; K196-Q199 HydrophobicContact CB-CG 4.31Å; K196-Q199 CarbonylContact O-C 3.6Å; K196-Q199 WeakPolarHBondContact O-CA 3.38Å; K196-Q199 WeakPolarHBondContact O-CB 3.41Å; K196-Q199 PolarHBondContact O-N 3.16Å; Q199-H201 VanDerWaalsContact C-N 3.29Å; Q199-H201 PolarHBondContact O-N 2.66Å; Q199-C202 PolarHBondContact O-N 2.75Å; Q199-C202 VanDerWaalsContact O-N 3.16Å; Q199-I203 WeakPolarHBondContact O-CG1 3.31Å; Q199-I203 PolarHBondContact O-N 3.46Å; Q199-W286 HydrophobicContact CB-CH2 4.22Å; Q199-W286 HydrophobicContact CG-CH2 4.48Å
200	K	92	Very high	92.5	Very high	20 Å²	20	39.6 Å²	39.6	9%	0.087	20%	0.203	C	C	.	.	H	α-helix	trans	-52.5	-48.3	170.1	-73.6	-173.4	179.4	179.9	0	110.9	E187 E191 I195 K196 C202 I203 I204	E187-K200 VanDerWaalsContact CG-NZ 3.35Å; E187-K200 IonicContact OE1-NZ 3.89Å; E187-K200 PolarHBondContact OE1-NZ 3Å; E191-K200 IonicContact OE1-NZ 3.53Å; E191-K200 PolarHBondContact OE1-NZ 3.02Å; I195-K200 HydrophobicContact CG2-CG 4.45Å; K196-K200 PolarHBondContact O-N 2.92Å; K200-C202 VanDerWaalsContact C-N 3.32Å; K200-C202 PolarHBondContact O-N 3.05Å; K200-I203 WeakPolarHBondContact O-CB 3.31Å; K200-I203 PolarHBondContact O-N 3.08Å; K200-I203 VanDerWaalsContact O-N 3.12Å; K200-I204 WeakPolarHBondContact O-CG1 3.42Å; K200-I204 PolarHBondContact O-N 3.31Å
201	H	90.5	Very high	92.5	Very high	97 Å²	97	39 Å²	39	45%	0.449	20%	0.2	S	C	.	.	H	α-helix	trans	-61.5	-38.2	179.5	-167.6	-68.3	0	0	0	112	F155 S197 D198 Q199 R205	F155-H201 AromaticContact CE1-CE1 3.55Å; F155-H201 AromaticContact CE1-ND1 3.97Å; F155-H201 AromaticContact CZ-CD2 3.89Å; F155-H201 AromaticContact CZ-CE1 3.42Å; F155-H201 VanDerWaalsContact CZ-CE1 3.42Å; F155-H201 WeakPolarHBondContact CZ-CE1 3.35Å; F155-H201 AromaticContact CZ-CG 4Å; F155-H201 AromaticContact CZ-ND1 3.71Å; F155-H201 AromaticContact CZ-NE2 3.54Å; S197-H201 WeakPolarHBondContact O-CB 3.46Å; S197-H201 PolarHBondContact O-N 3.18Å; D198-H201 PolarHBondContact O-N 2.86Å; Q199-H201 VanDerWaalsContact C-N 3.29Å; Q199-H201 PolarHBondContact O-N 2.66Å; H201-R205 WeakPolarHBondContact O-CB 3.4Å; H201-R205 PolarHBondContact O-N 2.84Å
202	C	90.4	Very high	92.6	Very high	18 Å²	18	34 Å²	34	12%	0.122	18%	0.176	C	C	.	.	H	α-helix	trans	-68.8	-36.5	172	-76.6	0	0	0	0	113.6	D198 Q199 K200 R205 L206 L459	D198-C202 PolarHBondContact O-N 3.06Å; D198-C202 VanDerWaalsContact O-N 3.07Å; Q199-C202 PolarHBondContact O-N 2.75Å; Q199-C202 VanDerWaalsContact O-N 3.16Å; K200-C202 VanDerWaalsContact C-N 3.32Å; K200-C202 PolarHBondContact O-N 3.05Å; C202-R205 PolarHBondContact O-N 3.3Å; C202-R205 PolarHBondContact SG-NH2 3.25Å; C202-L206 WeakPolarHBondContact O-CB 3.27Å; C202-L206 WeakPolarHBondContact O-CG 3.47Å; C202-L206 PolarHBondContact O-N 2.79Å; C202-L459 HydrophobicContact CB-CD1 4.24Å; C202-L459 HydrophobicContact CB-CD2 4.49Å; C202-L459 HydrophobicContact CB-CG 4.44Å
203	I	93.5	Very high	92.7	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.026	17%	0.165	C	C	.	.	H	α-helix	trans	-60.7	-51.1	173.3	-65.3	162.1	0	0	0	110.1	F85 L190 I195 Q199 K200 R205 L206 L207 L283 W286 L287	F85-I203 HydrophobicContact CE1-CG2 4.38Å; F85-I203 HydrophobicContact CZ-CG2 3.74Å; L190-I203 HydrophobicContact CD2-CD1 4.21Å; I195-I203 HydrophobicContact CG2-CD1 4.06Å; Q199-I203 WeakPolarHBondContact O-CG1 3.31Å; Q199-I203 PolarHBondContact O-N 3.46Å; K200-I203 WeakPolarHBondContact O-CB 3.31Å; K200-I203 PolarHBondContact O-N 3.08Å; K200-I203 VanDerWaalsContact O-N 3.12Å; I203-R205 VanDerWaalsContact C-N 3.34Å; I203-R205 PolarHBondContact O-N 2.91Å; I203-L206 PolarHBondContact O-N 3.19Å; I203-L207 HydrophobicContact CG2-CD1 4.07Å; I203-L207 WeakPolarHBondContact O-CG 3.5Å; I203-L207 PolarHBondContact O-N 3.38Å; I203-L207 VanDerWaalsContact O-N 3.08Å; I203-L283 HydrophobicContact CB-CD1 4.44Å; I203-L283 HydrophobicContact CG1-CD1 4.08Å; I203-L283 HydrophobicContact CG2-CD1 4.35Å; I203-W286 HydrophobicContact CD1-CZ3 4.11Å; I203-W286 HydrophobicContact CG1-CZ3 4.33Å; I203-L287 HydrophobicContact CD1-CD2 3.95Å
204	I	94.2	Very high	92.8	Very high	19 Å²	19	32.9 Å²	32.9	10%	0.097	17%	0.166	C	C	.	.	H	α-helix	trans	-59.3	-46.8	178.7	-65.2	163.3	0	0	0	110.5	L143 L147 F155 K200 L206 L207 A208	L143-I204 HydrophobicContact CD1-CB 4.4Å; L143-I204 HydrophobicContact CD1-CG1 3.9Å; L143-I204 HydrophobicContact CD1-CG2 4.01Å; L143-I204 HydrophobicContact CD2-CG2 4.49Å; L147-I204 HydrophobicContact CD1-CG2 4.1Å; L147-I204 HydrophobicContact CD2-CD1 4.28Å; F155-I204 HydrophobicContact CD2-CG2 3.55Å; F155-I204 HydrophobicContact CE1-CG2 4.49Å; F155-I204 HydrophobicContact CE2-CB 4.18Å; F155-I204 HydrophobicContact CE2-CG2 3.3Å; F155-I204 HydrophobicContact CG-CG2 4.26Å; F155-I204 HydrophobicContact CZ-CB 4.31Å; F155-I204 HydrophobicContact CZ-CG2 3.82Å; K200-I204 WeakPolarHBondContact O-CG1 3.42Å; K200-I204 PolarHBondContact O-N 3.31Å; I204-L206 PolarHBondContact O-N 3.44Å; I204-L207 PolarHBondContact O-N 3.09Å; I204-A208 WeakPolarHBondContact O-CB 3.45Å; I204-A208 PolarHBondContact O-N 3.18Å
205	R	92.9	Very high	92.9	Very high	14 Å²	14	28.7 Å²	28.7	5%	0.053	15%	0.149	C	C	.	.	H	α-helix	trans	-61.8	-38.4	179.9	-178.3	169.6	64	114.3	-15.9	113.3	F155 H201 C202 I203 A209 L244 Q246	F155-R205 HydrophobicContact CD1-CB 4.42Å; F155-R205 HydrophobicContact CE1-CB 3.82Å; F155-R205 HydrophobicContact CE1-CG 4.3Å; H201-R205 WeakPolarHBondContact O-CB 3.4Å; H201-R205 PolarHBondContact O-N 2.84Å; C202-R205 PolarHBondContact O-N 3.3Å; C202-R205 PolarHBondContact SG-NH2 3.25Å; I203-R205 VanDerWaalsContact C-N 3.34Å; I203-R205 PolarHBondContact O-N 2.91Å; R205-A209 WeakPolarHBondContact O-CB 3.4Å; R205-A209 PolarHBondContact O-N 3.16Å; R205-L244 WeakPolarHBondContact CD-O 3.31Å; R205-L244 HydrophobicContact CG-CB 4.12Å; R205-L244 HydrophobicContact CG-CD2 4.01Å; R205-L244 WeakPolarHBondContact CG-O 3.28Å; R205-L244 PolarHBondContact NH1-O 3Å; R205-Q246 VanDerWaalsContact CZ-OE1 3.24Å
206	L	92.8	Very high	93	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-69	-40.1	174.1	-80.9	168.1	0	0	0	112.5	C202 I203 I204 A208 A209 V210 L245 L279 L283 L454 M457 L459	C202-L206 WeakPolarHBondContact O-CB 3.27Å; C202-L206 WeakPolarHBondContact O-CG 3.47Å; C202-L206 PolarHBondContact O-N 2.79Å; I203-L206 PolarHBondContact O-N 3.19Å; I204-L206 PolarHBondContact O-N 3.44Å; L206-A208 VanDerWaalsContact C-N 3.34Å; L206-A209 PolarHBondContact O-N 2.89Å; L206-V210 WeakPolarHBondContact O-CG2 3.39Å; L206-V210 PolarHBondContact O-N 3.49Å; L206-L245 HydrophobicContact CD2-CD2 4.29Å; L206-L279 HydrophobicContact CD2-CD2 4.07Å; L206-L283 HydrophobicContact CB-CD2 4.06Å; L206-L283 HydrophobicContact CD1-CB 4.48Å; L206-L283 HydrophobicContact CD1-CD1 4.05Å; L206-L454 HydrophobicContact CD1-CD2 3.69Å; L206-L454 HydrophobicContact CD2-CD2 3.81Å; L206-L454 HydrophobicContact CG-CD2 4.39Å; L206-M457 HydrophobicContact CD1-SD 4.04Å; L206-M457 HydrophobicContact CD2-CE 3.49Å; L206-M457 VanDerWaalsContact CD2-CE 3.49Å; L206-M457 HydrophobicContact CD2-SD 3.71Å; L206-M457 HydrophobicContact CG-CE 3.94Å; L206-M457 HydrophobicContact CG-SD 3.66Å; L206-L459 HydrophobicContact CD1-CD1 3.46Å; L206-L459 VanDerWaalsContact CD1-CD1 3.46Å
207	L	95.8	Very high	93	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-64.1	-40.8	174.6	-68	167.4	0	0	0	111.2	F85 V139 F140 L143 I203 I204 V210 L211 Y280 L283	F85-L207 HydrophobicContact CE1-CD1 4.16Å; F85-L207 HydrophobicContact CE1-CD2 4.13Å; F85-L207 HydrophobicContact CZ-CD1 4.17Å; V139-L207 HydrophobicContact CG1-CD2 3.98Å; V139-L207 HydrophobicContact CG2-CD1 3.63Å; F140-L207 HydrophobicContact CD1-CB 4.5Å; F140-L207 HydrophobicContact CD1-CD2 4.23Å; F140-L207 HydrophobicContact CE1-CB 4.14Å; F140-L207 HydrophobicContact CE1-CD2 3.58Å; F140-L207 HydrophobicContact CE1-CG 4.48Å; F140-L207 HydrophobicContact CZ-CD2 3.78Å; L143-L207 HydrophobicContact CD2-CB 3.86Å; L143-L207 HydrophobicContact CD2-CD1 4.22Å; I203-L207 HydrophobicContact CG2-CD1 4.07Å; I203-L207 WeakPolarHBondContact O-CG 3.5Å; I203-L207 PolarHBondContact O-N 3.38Å; I203-L207 VanDerWaalsContact O-N 3.08Å; I204-L207 PolarHBondContact O-N 3.09Å; L207-V210 PolarHBondContact O-N 3.4Å; L207-L211 WeakPolarHBondContact O-CG 3.46Å; L207-L211 PolarHBondContact O-N 3.36Å; L207-L211 VanDerWaalsContact O-N 3.13Å; L207-Y280 HydrophobicContact CD2-CD2 4.06Å; L207-Y280 HydrophobicContact CD2-CE2 3.72Å; L207-L283 HydrophobicContact CD2-CD2 3.98Å; L207-L283 HydrophobicContact CG-CD2 4Å
208	A	96	Very high	93	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.2	-48.7	172.7	0	0	0	0	0	111.7	F155 L157 I204 L206 V210 L211 H212 L244	F155-A208 HydrophobicContact CB-CB 4.15Å; L157-A208 HydrophobicContact CD1-CB 4.28Å; L157-A208 HydrophobicContact CD2-CB 3.8Å; L157-A208 HydrophobicContact CG-CB 4.25Å; I204-A208 WeakPolarHBondContact O-CB 3.45Å; I204-A208 PolarHBondContact O-N 3.18Å; L206-A208 VanDerWaalsContact C-N 3.34Å; A208-V210 VanDerWaalsContact C-N 3.27Å; A208-V210 PolarHBondContact O-N 3.28Å; A208-L211 WeakPolarHBondContact O-CB 3.32Å; A208-L211 PolarHBondContact O-N 2.92Å; A208-H212 PolarHBondContact O-CD2 2.85Å; A208-H212 VanDerWaalsContact O-CD2 3.28Å; A208-H212 PolarHBondContact O-N 3.37Å; A208-L244 HydrophobicContact CB-CD1 3.92Å; A208-L244 HydrophobicContact CB-CD2 4.24Å
209	A	93.9	Very high	92.8	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.008	11%	0.11	C	C	.	.	H	α-helix	trans	-56.1	-41.9	177.7	0	0	0	0	0	111.8	R205 L206 L211 L213 L244 L245	R205-A209 WeakPolarHBondContact O-CB 3.4Å; R205-A209 PolarHBondContact O-N 3.16Å; L206-A209 PolarHBondContact O-N 2.89Å; A209-L211 PolarHBondContact O-N 3.45Å; A209-L213 WeakPolarHBondContact O-CB 3.41Å; A209-L213 PolarHBondContact O-N 2.94Å; A209-L244 HydrophobicContact CB-CB 3.85Å; A209-L245 HydrophobicContact CB-CD2 3.86Å; A209-L245 HydrophobicContact CB-CG 4.09Å
210	V	95.1	Very high	92.6	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.018	12%	0.122	C	C	.	.	H	α-helix	trans	-64.1	-37	175.5	166.8	0	0	0	0	112.3	L127 F140 Y165 L206 L207 A208 G214 A276 L279	L127-V210 HydrophobicContact CD1-CG1 3.93Å; L127-V210 HydrophobicContact CD2-CG1 3.97Å; L127-V210 HydrophobicContact CG-CG1 4.18Å; F140-V210 HydrophobicContact CE1-CG1 4.22Å; F140-V210 HydrophobicContact CZ-CG1 4.04Å; Y165-V210 HydrophobicContact CD2-CG1 4.43Å; Y165-V210 WeakPolarHBondContact CD2-O 2.94Å; Y165-V210 WeakPolarHBondContact CE2-O 3.46Å; L206-V210 WeakPolarHBondContact O-CG2 3.39Å; L206-V210 PolarHBondContact O-N 3.49Å; L207-V210 PolarHBondContact O-N 3.4Å; A208-V210 VanDerWaalsContact C-N 3.27Å; A208-V210 PolarHBondContact O-N 3.28Å; V210-G214 PolarHBondContact O-N 3.5Å; V210-A276 HydrophobicContact CG1-CB 4.38Å; V210-L279 HydrophobicContact CG2-CB 3.89Å; V210-L279 HydrophobicContact CG2-CD1 4.43Å
211	L	96.1	Very high	91.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-69.6	-47.3	176.3	-70.7	179.5	0	0	0	112.7	F140 L144 L157 Y163 L166 L207 A208 A209 L213 G214	F140-L211 HydrophobicContact CD1-CD1 3.99Å; F140-L211 HydrophobicContact CD1-CD2 3.66Å; F140-L211 HydrophobicContact CD1-CG 3.76Å; F140-L211 HydrophobicContact CE1-CD2 4.07Å; F140-L211 HydrophobicContact CE1-CG 4.06Å; F140-L211 HydrophobicContact CG-CD2 4.25Å; L144-L211 HydrophobicContact CD1-CD1 4.14Å; L144-L211 HydrophobicContact CD2-CD1 4.48Å; L144-L211 HydrophobicContact CG-CD1 4.46Å; L157-L211 HydrophobicContact CD2-CD1 4.2Å; Y163-L211 HydrophobicContact CD1-CB 3.72Å; Y163-L211 HydrophobicContact CD2-CD1 4.44Å; Y163-L211 HydrophobicContact CE1-CB 4.13Å; Y163-L211 HydrophobicContact CG-CB 4.1Å; Y163-L211 HydrophobicContact CG-CD1 4.46Å; Y163-L211 HydrophobicContact CG-CD2 4.36Å; L166-L211 HydrophobicContact CD1-CD1 4.25Å; L166-L211 HydrophobicContact CD1-CD2 3.62Å; L166-L211 HydrophobicContact CD2-CD2 4Å; L166-L211 HydrophobicContact CG-CD2 3.63Å; L207-L211 WeakPolarHBondContact O-CG 3.46Å; L207-L211 PolarHBondContact O-N 3.36Å; L207-L211 VanDerWaalsContact O-N 3.13Å; A208-L211 WeakPolarHBondContact O-CB 3.32Å; A208-L211 PolarHBondContact O-N 2.92Å; A209-L211 PolarHBondContact O-N 3.45Å; L211-L213 VanDerWaalsContact C-N 3.33Å; L211-L213 PolarHBondContact O-N 2.78Å; L211-G214 PolarHBondContact O-N 3.17Å
212	H	95.7	Very high	91.3	Very high	5 Å²	5	32.1 Å²	32.1	2%	0.023	15%	0.15	C	C	.	.	H	α-helix	trans	-63.3	-38.3	176.5	-76.8	-80.7	0	0	0	111.7	F155 G156 A208 G214 N215 V216 E237 W240 C241	F155-H212 PolarHBondContact O-NE2 2.94Å; G156-H212 PolarHBondContact O-CE1 2.85Å; G156-H212 VanDerWaalsContact O-CE1 3.31Å; G156-H212 PolarHBondContact O-NE2 2.85Å; A208-H212 PolarHBondContact O-CD2 2.85Å; A208-H212 VanDerWaalsContact O-CD2 3.28Å; A208-H212 PolarHBondContact O-N 3.37Å; H212-G214 PolarHBondContact O-N 3.11Å; H212-N215 WeakPolarHBondContact O-CB 3.47Å; H212-N215 PolarHBondContact O-N 2.83Å; H212-V216 PolarHBondContact O-N 2.86Å; H212-E237 IonicContact CE1-OE2 3.97Å; H212-E237 IonicContact CG-OE2 2.7Å; H212-E237 IonicContact ND1-OE2 3.95Å; H212-E237 PolarHBondContact ND1-OE2 2.95Å; H212-W240 HydrophobicContact CB-CB 4.27Å; H212-W240 AromaticContact ND1-CG 3.93Å; H212-C241 VanDerWaalsContact C-SG 3.58Å
213	L	93	Very high	90.4	Very high	10 Å²	10	33.7 Å²	33.7	5%	0.052	16%	0.157	C	C	.	.	H	α-helix	trans	-62.5	-27.3	177.3	-174.1	63.7	0	0	0	112.6	A209 L211 N215 V216 C241 R272 L275 A276 L279	A209-L213 WeakPolarHBondContact O-CB 3.41Å; A209-L213 PolarHBondContact O-N 2.94Å; L211-L213 VanDerWaalsContact C-N 3.33Å; L211-L213 PolarHBondContact O-N 2.78Å; L213-N215 VanDerWaalsContact C-N 3.34Å; L213-V216 HydrophobicContact CD1-CG2 4.44Å; L213-C241 WeakPolarHBondContact CA-SG 3.49Å; L213-C241 PolarHBondContact N-SG 3.25Å; L213-R272 HydrophobicContact CD1-CG 4.06Å; L213-R272 HydrophobicContact CG-CG 4.05Å; L213-R272 WeakPolarHBondContact O-CD 3.24Å; L213-R272 WeakPolarHBondContact O-CG 3.47Å; L213-L275 HydrophobicContact CD1-CD2 4.32Å; L213-L275 HydrophobicContact CD2-CB 4Å; L213-L275 HydrophobicContact CD2-CD2 3.83Å; L213-L275 HydrophobicContact CD2-CG 3.7Å; L213-A276 HydrophobicContact CD2-CB 4.04Å; L213-L279 HydrophobicContact CD2-CD1 4.29Å
214	G	93.6	Very high	89.5	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-73.6	-23.6	172.4	0	0	0	0	0	114.4	F164 V210 L211 H212 R272	F164-G214 VanDerWaalsContact CB-O 3.24Å; F164-G214 WeakPolarHBondContact CB-O 3.34Å; F164-G214 WeakPolarHBondContact CD1-O 3.45Å; V210-G214 PolarHBondContact O-N 3.5Å; L211-G214 PolarHBondContact O-N 3.17Å; H212-G214 PolarHBondContact O-N 3.11Å; G214-R272 PolarHBondContact O-NH1 3.06Å
215	N	95.2	Very high	88.5	Confident	29 Å²	29	46.8 Å²	46.8	16%	0.155	23%	0.227	C	C	.	.	H	α-helix	trans	-83.4	-18.5	176.4	-77.7	6.6	0	0	0	113.2	N162 Y163 F164 H212 L213 Y217 N234 E237	N162-N215 PolarHBondContact O-ND2 2.75Å; N162-N215 PolarHBondContact O-OD1 3.37Å; Y163-N215 WeakPolarHBondContact CA-OD1 3.41Å; F164-N215 PolarHBondContact N-OD1 3.48Å; H212-N215 WeakPolarHBondContact O-CB 3.47Å; H212-N215 PolarHBondContact O-N 2.83Å; L213-N215 VanDerWaalsContact C-N 3.34Å; N215-Y217 PolarHBondContact O-N 3.48Å; N215-N234 PolarHBondContact O-ND2 2.9Å; N215-E237 HydrophobicContact CB-CG 3.86Å; N215-E237 WeakPolarHBondContact CB-OE1 3.11Å; N215-E237 PolarHBondContact ND2-OE1 3.41Å
216	V	92.5	Very high	87.4	Confident	6 Å²	6	48.9 Å²	48.9	4%	0.036	25%	0.252	C	S	.	.			trans	-57.2	122.6	171.5	179.1	0	0	0	0	109.1	H212 L213 F218 I232 N234 E237 V238 R272	H212-V216 PolarHBondContact O-N 2.86Å; L213-V216 HydrophobicContact CD1-CG2 4.44Å; V216-F218 HydrophobicContact CG1-CE1 4.39Å; V216-F218 HydrophobicContact CG1-CZ 4.26Å; V216-I232 HydrophobicContact CG1-CG2 3.94Å; V216-N234 WeakPolarHBondContact CA-OD1 3.19Å; V216-E237 HydrophobicContact CG2-CB 3.93Å; V216-V238 HydrophobicContact CG1-CG2 4.02Å; V216-V238 HydrophobicContact CG2-CG2 4.04Å; V216-R272 VanDerWaalsContact O-CD 3.24Å; V216-R272 WeakPolarHBondContact O-CD 3.43Å; V216-R272 PolarHBondContact O-NH1 3.35Å
217	Y	90.6	Very high	86.2	Confident	104 Å²	104	51 Å²	51	41%	0.408	27%	0.266	S	S	.	.			trans	-127.3	157.2	176.3	82	-94.2	0	0	0	110.8	N215 E219 G233 N234	N215-Y217 PolarHBondContact O-N 3.48Å; Y217-E219 HydrophobicContact CD2-CG 4.21Å; Y217-E219 HydrophobicContact CE2-CG 3.58Å; Y217-E219 WeakPolarHBondContact CE2-OE1 3.36Å; Y217-E219 VanDerWaalsContact CZ-OE1 3.3Å; Y217-E219 PolarHBondContact OH-OE1 2.96Å; Y217-G233 PolarHBondContact O-N 3.02Å; Y217-G233 VanDerWaalsContact O-N 3.13Å; Y217-G233 PolarHBondContact OH-O 2.99Å; Y217-N234 HydrophobicContact CD1-CB 4.07Å; Y217-N234 VanDerWaalsContact CD1-ND2 3.32Å; Y217-N234 WeakPolarHBondContact CD1-ND2 3.21Å; Y217-N234 HydrophobicContact CE1-CB 3.68Å; Y217-N234 PolarHBondContact N-OD1 3.17Å; Y217-N234 PolarHBondContact O-OD1 3.49Å
218	F	89.3	Confident	84.9	Confident	40 Å²	40	55.7 Å²	55.7	18%	0.175	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	145.2	-172.6	-55.3	-78.2	0	0	0	110.1	V216 I230 S231 I232 L265 A268 L269 R272	V216-F218 HydrophobicContact CG1-CE1 4.39Å; V216-F218 HydrophobicContact CG1-CZ 4.26Å; F218-I230 HydrophobicContact CB-CG2 3.72Å; F218-I230 HydrophobicContact CD1-CG2 4.19Å; F218-I230 HydrophobicContact CG-CG2 4.25Å; F218-S231 VanDerWaalsContact CA-O 3.31Å; F218-S231 WeakPolarHBondContact CA-O 3.34Å; F218-I232 HydrophobicContact CD1-CG1 3.95Å; F218-I232 HydrophobicContact CE1-CD1 4.36Å; F218-I232 HydrophobicContact CE1-CG1 3.96Å; F218-L265 HydrophobicContact CB-CD1 3.7Å; F218-A268 HydrophobicContact CD1-CB 4.13Å; F218-A268 HydrophobicContact CD2-CB 3.8Å; F218-A268 HydrophobicContact CE1-CB 4.1Å; F218-A268 VanDerWaalsContact CE2-C 3.47Å; F218-A268 HydrophobicContact CE2-CB 3.76Å; F218-A268 WeakPolarHBondContact CE2-O 3.17Å; F218-A268 HydrophobicContact CG-CB 4Å; F218-A268 HydrophobicContact CZ-CB 3.91Å; F218-L269 HydrophobicContact CD2-CD2 3.86Å; F218-L269 HydrophobicContact CD2-CG 4.07Å; F218-L269 HydrophobicContact CE2-CD2 4.08Å; F218-L269 HydrophobicContact CE2-CG 4.38Å; F218-R272 HydrophobicContact CE2-CB 4.27Å; F218-R272 HydrophobicContact CZ-CB 4.35Å
219	E	86.2	Confident	83.8	Confident	86 Å²	86	57.5 Å²	57.5	40%	0.402	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	139.8	175.5	-63.4	-174	-163.9	0	0	109	Y217 I230 S231 G233	Y217-E219 HydrophobicContact CD2-CG 4.21Å; Y217-E219 HydrophobicContact CE2-CG 3.58Å; Y217-E219 WeakPolarHBondContact CE2-OE1 3.36Å; Y217-E219 VanDerWaalsContact CZ-OE1 3.3Å; Y217-E219 PolarHBondContact OH-OE1 2.96Å; E219-I230 WeakPolarHBondContact O-CA 3.49Å; E219-S231 PolarHBondContact N-O 3.13Å; E219-S231 PolarHBondContact O-N 3.11Å; E219-G233 WeakPolarHBondContact OE1-CA 3.48Å
220	E	84.3	Confident	83	Confident	92 Å²	92	59.8 Å²	59.8	43%	0.43	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	112.6	171.2	-70.7	-169	151.8	0	0	108.6	K228 L265	E220-K228 IonicContact OE2-NZ 3.97Å; E220-K228 PolarHBondContact OE2-NZ 3.05Å; E220-L265 HydrophobicContact CG-CB 4.35Å; E220-L265 HydrophobicContact CG-CD2 4.31Å
221	E	79	Confident	82.5	Confident	105 Å²	105	61.3 Å²	61.3	49%	0.491	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	143.1	170.7	-71.6	177	-141	0	0	108.8	K228 T229 S231	E221-K228 CarbonylContact O-C 3.58Å; E221-K228 WeakPolarHBondContact O-CA 3.47Å; E221-T229 PolarHBondContact N-O 3.49Å; E221-T229 PolarHBondContact O-N 2.94Å; E221-T229 PolarHBondContact O-OG1 3.27Å; E221-S231 WeakPolarHBondContact OE1-CB 3.44Å; E221-S231 PolarHBondContact OE1-OG 3.44Å
222	E	76.2	Confident	81.9	Confident	133 Å²	133	63.5 Å²	63.5	62%	0.621	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	112	171.9	-78.3	-178.2	179.1	0	0	109.3	K228	E222-K228 HydrophobicContact CG-CG 3.64Å; E222-K228 WeakPolarHBondContact OE1-CE 3.43Å; E222-K228 IonicContact OE1-NZ 2.83Å
223	D	72.5	Confident	81.4	Confident	52 Å²	52	64.7 Å²	64.7	28%	0.278	34%	0.344	S	S	.	.			trans	-51.7	154.3	169.9	-62.9	-8.5	0	0	0	109.6	S225 G226 T227 T229 R262	D223-S225 PolarHBondContact O-N 3.45Å; D223-G226 PolarHBondContact O-N 2.9Å; D223-T227 WeakPolarHBondContact CB-O 3.32Å; D223-T227 PolarHBondContact N-O 3.28Å; D223-T229 WeakPolarHBondContact OD1-CB 3.49Å; D223-T229 WeakPolarHBondContact OD1-CG2 3.5Å; D223-T229 PolarHBondContact OD1-OG1 2.88Å; D223-T229 WeakPolarHBondContact OD2-CG2 3.45Å; D223-R262 IonicContact OD2-CZ 2.77Å; D223-R262 IonicContact OD2-NE 2.8Å; D223-R262 IonicContact OD2-NH2 2.67Å; D223-R262 PolarHBondContact OD2-NH2 2.93Å
224	E	74.8	Confident	81.2	Confident	217 Å²	217	65.9 Å²	65.9	100%	1.014	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-15.7	173.6	-61.6	-173.4	150.6	0	0	114.5	G226	E224-G226 VanDerWaalsContact C-N 3.32Å
225	S	73.2	Confident	80.8	Confident	82 Å²	82	69 Å²	69	57%	0.573	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	0.3	173.9	64.6	0	0	0	0	115	D223 T227	D223-S225 PolarHBondContact O-N 3.45Å; S225-T227 PolarHBondContact O-N 3.29Å; S225-T227 WeakPolarHBondContact OG-CB 3.15Å; S225-T227 PolarHBondContact OG-OG1 3.34Å
226	G	70.3	Confident	80.5	Confident	57 Å²	57	69.3 Å²	69.3	59%	0.588	38%	0.383	S	S	*	.	S	Bend	trans	69.3	18.2	-168.9	0	0	0	0	0	113.3	D223 E224	D223-G226 PolarHBondContact O-N 2.9Å; E224-G226 VanDerWaalsContact C-N 3.32Å
227	T	66.2	Low	80.5	Confident	46 Å²	46	70.8 Å²	70.8	28%	0.282	39%	0.389	S	S	.	.			trans	-95.1	123.1	177.5	-51	0	0	0	0	109.7	D223 S225 T229 R262	D223-T227 WeakPolarHBondContact CB-O 3.32Å; D223-T227 PolarHBondContact N-O 3.28Å; S225-T227 PolarHBondContact O-N 3.29Å; S225-T227 WeakPolarHBondContact OG-CB 3.15Å; S225-T227 PolarHBondContact OG-OG1 3.34Å; T227-T229 PolarHBondContact O-N 3Å; T227-R262 VanDerWaalsContact CG2-CZ 3.49Å
228	K	69.3	Low	80.4	Confident	101 Å²	101	66 Å²	66	44%	0.439	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	122.5	170.8	-72.1	-173.1	166.7	-156.6	0	111.4	E220 E221 E222	E220-K228 IonicContact OE2-NZ 3.97Å; E220-K228 PolarHBondContact OE2-NZ 3.05Å; E221-K228 CarbonylContact O-C 3.58Å; E221-K228 WeakPolarHBondContact O-CA 3.47Å; E222-K228 HydrophobicContact CG-CG 3.64Å; E222-K228 WeakPolarHBondContact OE1-CE 3.43Å; E222-K228 IonicContact OE1-NZ 2.83Å
229	T	73	Confident	80.5	Confident	37 Å²	37	70.1 Å²	70.1	23%	0.227	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	172.7	163.7	49.2	0	0	0	0	109.1	E221 D223 T227	E221-T229 PolarHBondContact N-O 3.49Å; E221-T229 PolarHBondContact O-N 2.94Å; E221-T229 PolarHBondContact O-OG1 3.27Å; D223-T229 WeakPolarHBondContact OD1-CB 3.49Å; D223-T229 WeakPolarHBondContact OD1-CG2 3.5Å; D223-T229 PolarHBondContact OD1-OG1 2.88Å; D223-T229 WeakPolarHBondContact OD2-CG2 3.45Å; T227-T229 PolarHBondContact O-N 3Å
230	I	77.1	Confident	80.8	Confident	50 Å²	50	70.4 Å²	70.4	26%	0.256	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	123	-173.5	-58.2	176.6	0	0	0	108.4	F218 E219 L263 L265	F218-I230 HydrophobicContact CB-CG2 3.72Å; F218-I230 HydrophobicContact CD1-CG2 4.19Å; F218-I230 HydrophobicContact CG-CG2 4.25Å; E219-I230 WeakPolarHBondContact O-CA 3.49Å; I230-L263 HydrophobicContact CD1-CB 4.42Å; I230-L263 WeakPolarHBondContact CD1-O 3.32Å; I230-L265 HydrophobicContact CD1-CB 4.47Å; I230-L265 VanDerWaalsContact CD1-N 3.25Å
231	S	83.5	Confident	81.1	Confident	34 Å²	34	66.1 Å²	66.1	24%	0.238	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	171.9	172	66.1	0	0	0	0	110.5	F218 E219 E221	F218-S231 VanDerWaalsContact CA-O 3.31Å; F218-S231 WeakPolarHBondContact CA-O 3.34Å; E219-S231 PolarHBondContact N-O 3.13Å; E219-S231 PolarHBondContact O-N 3.11Å; E221-S231 WeakPolarHBondContact OE1-CB 3.44Å; E221-S231 PolarHBondContact OE1-OG 3.44Å
232	I	85	Confident	81.5	Confident	47 Å²	47	61.3 Å²	61.3	24%	0.241	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	110.3	174.9	-56.8	179.4	0	0	0	108.1	V216 F218 N234 V238 E253	V216-I232 HydrophobicContact CG1-CG2 3.94Å; F218-I232 HydrophobicContact CD1-CG1 3.95Å; F218-I232 HydrophobicContact CE1-CD1 4.36Å; F218-I232 HydrophobicContact CE1-CG1 3.96Å; I232-N234 PolarHBondContact O-N 3.1Å; I232-V238 HydrophobicContact CD1-CG2 3.95Å; I232-V238 HydrophobicContact CG2-CG2 3.73Å; I232-E253 HydrophobicContact CD1-CG 3.83Å
233	G	84.3	Confident	82.3	Confident	30 Å²	30	62.2 Å²	62.2	31%	0.309	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-21.3	-175.7	0	0	0	0	0	114.1	Y217 E219	Y217-G233 PolarHBondContact O-N 3.02Å; Y217-G233 VanDerWaalsContact O-N 3.13Å; Y217-G233 PolarHBondContact OH-O 2.99Å; E219-G233 WeakPolarHBondContact OE1-CA 3.48Å
234	N	89.3	Confident	83.2	Confident	34 Å²	34	59.7 Å²	59.7	18%	0.182	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.3	70.1	179.3	62.4	-10.9	0	0	0	114.3	N215 V216 Y217 I232 G236 E237	N215-N234 PolarHBondContact O-ND2 2.9Å; V216-N234 WeakPolarHBondContact CA-OD1 3.19Å; Y217-N234 HydrophobicContact CD1-CB 4.07Å; Y217-N234 VanDerWaalsContact CD1-ND2 3.32Å; Y217-N234 WeakPolarHBondContact CD1-ND2 3.21Å; Y217-N234 HydrophobicContact CE1-CB 3.68Å; Y217-N234 PolarHBondContact N-OD1 3.17Å; Y217-N234 PolarHBondContact O-OD1 3.49Å; I232-N234 PolarHBondContact O-N 3.1Å; N234-G236 PolarHBondContact O-N 3.44Å; N234-E237 VanDerWaalsContact ND2-CG 3.35Å; N234-E237 WeakPolarHBondContact ND2-CG 3.26Å; N234-E237 PolarHBondContact O-N 3.3Å
235	S	85.3	Confident	83.7	Confident	66 Å²	66	49.4 Å²	49.4	46%	0.462	28%	0.284	S	S	.	.	H	α-helix	trans	-49.1	-25.7	170.7	59.6	0	0	0	0	114.7	E237 V238 Q239	S235-E237 PolarHBondContact O-N 3.48Å; S235-V238 WeakPolarHBondContact O-CB 3.48Å; S235-V238 PolarHBondContact O-N 2.91Å; S235-Q239 WeakPolarHBondContact O-CG 3.27Å; S235-Q239 PolarHBondContact O-N 3.03Å
236	G	89.6	Confident	84.2	Confident	37 Å²	37	50.7 Å²	50.7	38%	0.381	28%	0.28	S	S	.	.	H	α-helix	trans	-61.8	-35.5	172.6	0	0	0	0	0	114.6	N234 W240	N234-G236 PolarHBondContact O-N 3.44Å; G236-W240 VanDerWaalsContact O-CD1 3.27Å; G236-W240 PolarHBondContact O-N 2.99Å; G236-W240 VanDerWaalsContact O-N 3.14Å
237	E	91.4	Very high	84.7	Confident	36 Å²	36	49.1 Å²	49.1	17%	0.168	26%	0.258	C	S	.	.	H	α-helix	trans	-75.1	-32.2	173.9	-67.5	-73.5	-154.1	0	0	111.3	H212 N215 V216 N234 S235 W240 C241	H212-E237 IonicContact CE1-OE2 3.97Å; H212-E237 IonicContact CG-OE2 2.7Å; H212-E237 IonicContact ND1-OE2 3.95Å; H212-E237 PolarHBondContact ND1-OE2 2.95Å; N215-E237 HydrophobicContact CB-CG 3.86Å; N215-E237 WeakPolarHBondContact CB-OE1 3.11Å; N215-E237 PolarHBondContact ND2-OE1 3.41Å; V216-E237 HydrophobicContact CG2-CB 3.93Å; N234-E237 VanDerWaalsContact ND2-CG 3.35Å; N234-E237 WeakPolarHBondContact ND2-CG 3.26Å; N234-E237 PolarHBondContact O-N 3.3Å; S235-E237 PolarHBondContact O-N 3.48Å; E237-W240 PolarHBondContact O-N 2.85Å; E237-C241 PolarHBondContact O-N 3.11Å; E237-C241 PolarHBondContact O-SG 3.06Å
238	V	88.6	Confident	85.3	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.024	28%	0.276	C	S	.	.	H	α-helix	trans	-64.5	-41.3	170.8	-178.8	0	0	0	0	111.1	V216 I232 S235 W240 C241 A242 A249 L252 E253	V216-V238 HydrophobicContact CG1-CG2 4.02Å; V216-V238 HydrophobicContact CG2-CG2 4.04Å; I232-V238 HydrophobicContact CD1-CG2 3.95Å; I232-V238 HydrophobicContact CG2-CG2 3.73Å; S235-V238 WeakPolarHBondContact O-CB 3.48Å; S235-V238 PolarHBondContact O-N 2.91Å; V238-W240 PolarHBondContact O-N 2.8Å; V238-C241 CarbonylContact O-C 3.56Å; V238-C241 WeakPolarHBondContact O-CB 3.45Å; V238-C241 PolarHBondContact O-N 3.18Å; V238-C241 VanDerWaalsContact O-N 3.16Å; V238-A242 VanDerWaalsContact O-CB 3.32Å; V238-A242 WeakPolarHBondContact O-CB 3.16Å; V238-A242 PolarHBondContact O-N 3.47Å; V238-A249 HydrophobicContact CG1-CB 4.41Å; V238-L252 HydrophobicContact CG1-CD2 4.23Å; V238-E253 HydrophobicContact CG1-CG 4.1Å
239	Q	90.6	Very high	85.7	Confident	127 Å²	127	49 Å²	49	59%	0.593	26%	0.264	S	S	*	.	H	α-helix	trans	-62.5	-40.2	174.5	-73.8	176.5	7.1	0	0	112	S235 A242 Y243	S235-Q239 WeakPolarHBondContact O-CG 3.27Å; S235-Q239 PolarHBondContact O-N 3.03Å; Q239-A242 PolarHBondContact O-N 2.8Å; Q239-Y243 VanDerWaalsContact O-CB 3.31Å; Q239-Y243 WeakPolarHBondContact O-CB 3.49Å; Q239-Y243 PolarHBondContact O-N 3.48Å
240	W	93.2	Very high	85.8	Confident	92 Å²	92	53 Å²	53	35%	0.348	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-45.9	169.8	-82.1	114.4	0	0	0	111.8	H212 G236 E237 V238 A242 Y243 L244	H212-W240 HydrophobicContact CB-CB 4.27Å; H212-W240 AromaticContact ND1-CG 3.93Å; G236-W240 VanDerWaalsContact O-CD1 3.27Å; G236-W240 PolarHBondContact O-N 2.99Å; G236-W240 VanDerWaalsContact O-N 3.14Å; E237-W240 PolarHBondContact O-N 2.85Å; V238-W240 PolarHBondContact O-N 2.8Å; W240-A242 PolarHBondContact O-N 3.4Å; W240-Y243 HydrophobicContact CE3-CD1 4.12Å; W240-Y243 HydrophobicContact CZ3-CD1 4.08Å; W240-Y243 HydrophobicContact CZ3-CE1 4.28Å; W240-Y243 PolarHBondContact O-N 2.71Å; W240-L244 HydrophobicContact CB-CD1 4.48Å; W240-L244 HydrophobicContact CE3-CD1 4.49Å; W240-L244 HydrophobicContact CE3-CG 4.49Å; W240-L244 VanDerWaalsContact O-CB 3.23Å; W240-L244 WeakPolarHBondContact O-CB 3.43Å; W240-L244 WeakPolarHBondContact O-CD1 3.35Å; W240-L244 WeakPolarHBondContact O-CG 3.39Å; W240-L244 PolarHBondContact O-N 3.02Å
241	C	91	Very high	85.7	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.007	29%	0.285	C	S	.	.	H	α-helix	trans	-60	-44.4	176.6	-67.4	0	0	0	0	112	H212 L213 E237 V238 L244 L245 L252	H212-C241 VanDerWaalsContact C-SG 3.58Å; L213-C241 WeakPolarHBondContact CA-SG 3.49Å; L213-C241 PolarHBondContact N-SG 3.25Å; E237-C241 PolarHBondContact O-N 3.11Å; E237-C241 PolarHBondContact O-SG 3.06Å; V238-C241 CarbonylContact O-C 3.56Å; V238-C241 WeakPolarHBondContact O-CB 3.45Å; V238-C241 PolarHBondContact O-N 3.18Å; V238-C241 VanDerWaalsContact O-N 3.16Å; C241-L244 PolarHBondContact O-N 2.79Å; C241-L245 WeakPolarHBondContact O-CB 3.36Å; C241-L245 WeakPolarHBondContact O-CG 3.43Å; C241-L245 PolarHBondContact O-N 3.1Å; C241-L252 HydrophobicContact CB-CD2 3.77Å
242	A	88.3	Confident	85.3	Confident	5 Å²	5	52.7 Å²	52.7	4%	0.041	28%	0.282	C	S	.	.	H	α-helix	trans	-62.9	-49.5	178.3	0	0	0	0	0	111.8	V238 Q239 W240 L244 L245 Q246 M247 A249	V238-A242 VanDerWaalsContact O-CB 3.32Å; V238-A242 WeakPolarHBondContact O-CB 3.16Å; V238-A242 PolarHBondContact O-N 3.47Å; Q239-A242 PolarHBondContact O-N 2.8Å; W240-A242 PolarHBondContact O-N 3.4Å; A242-L244 PolarHBondContact O-N 3.08Å; A242-L245 CarbonylContact O-C 3.58Å; A242-L245 PolarHBondContact O-N 3Å; A242-Q246 PolarHBondContact O-N 3.31Å; A242-M247 CarbonylContact C-O 3.51Å; A242-M247 WeakPolarHBondContact CB-O 3.21Å; A242-M247 PolarHBondContact O-N 2.88Å; A242-A249 HydrophobicContact CB-CB 3.98Å
243	Y	91.4	Very high	84.7	Confident	151 Å²	151	55.2 Å²	55.2	59%	0.592	29%	0.293	S	S	*	.	H	α-helix	trans	-58.2	-49.3	175	173.4	-104.4	0	0	0	112.1	Q239 W240 L245 Q246	Q239-Y243 VanDerWaalsContact O-CB 3.31Å; Q239-Y243 WeakPolarHBondContact O-CB 3.49Å; Q239-Y243 PolarHBondContact O-N 3.48Å; W240-Y243 HydrophobicContact CE3-CD1 4.12Å; W240-Y243 HydrophobicContact CZ3-CD1 4.08Å; W240-Y243 HydrophobicContact CZ3-CE1 4.28Å; W240-Y243 PolarHBondContact O-N 2.71Å; Y243-L245 VanDerWaalsContact C-N 3.34Å; Y243-L245 PolarHBondContact O-N 3.4Å; Y243-Q246 PolarHBondContact O-N 2.96Å
244	L	91.1	Very high	83.7	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-67.5	-34.3	179.8	-64.7	168.3	0	0	0	111.3	F155 R205 A208 A209 W240 C241 A242 M457	F155-L244 HydrophobicContact CB-CD2 4.43Å; F155-L244 HydrophobicContact CD1-CD2 3.7Å; R205-L244 WeakPolarHBondContact CD-O 3.31Å; R205-L244 HydrophobicContact CG-CB 4.12Å; R205-L244 HydrophobicContact CG-CD2 4.01Å; R205-L244 WeakPolarHBondContact CG-O 3.28Å; R205-L244 PolarHBondContact NH1-O 3Å; A208-L244 HydrophobicContact CB-CD1 3.92Å; A208-L244 HydrophobicContact CB-CD2 4.24Å; A209-L244 HydrophobicContact CB-CB 3.85Å; W240-L244 HydrophobicContact CB-CD1 4.48Å; W240-L244 HydrophobicContact CE3-CD1 4.49Å; W240-L244 HydrophobicContact CE3-CG 4.49Å; W240-L244 VanDerWaalsContact O-CB 3.23Å; W240-L244 WeakPolarHBondContact O-CB 3.43Å; W240-L244 WeakPolarHBondContact O-CD1 3.35Å; W240-L244 WeakPolarHBondContact O-CG 3.39Å; W240-L244 PolarHBondContact O-N 3.02Å; C241-L244 PolarHBondContact O-N 2.79Å; A242-L244 PolarHBondContact O-N 3.08Å; L244-M457 VanDerWaalsContact O-CE 3.31Å; L244-M457 WeakPolarHBondContact O-CE 3.5Å
245	L	86.1	Confident	82	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-80.1	-13.2	176.1	-67.3	174.8	0	0	0	114	L206 A209 C241 A242 Y243 M247 L252 L279 M453 M457	L206-L245 HydrophobicContact CD2-CD2 4.29Å; A209-L245 HydrophobicContact CB-CD2 3.86Å; A209-L245 HydrophobicContact CB-CG 4.09Å; C241-L245 WeakPolarHBondContact O-CB 3.36Å; C241-L245 WeakPolarHBondContact O-CG 3.43Å; C241-L245 PolarHBondContact O-N 3.1Å; A242-L245 CarbonylContact O-C 3.58Å; A242-L245 PolarHBondContact O-N 3Å; Y243-L245 VanDerWaalsContact C-N 3.34Å; Y243-L245 PolarHBondContact O-N 3.4Å; L245-M247 HydrophobicContact CB-CG 4.38Å; L245-L252 HydrophobicContact CD1-CD1 4.26Å; L245-L279 HydrophobicContact CD2-CD1 4.15Å; L245-L279 HydrophobicContact CD2-CD2 4.07Å; L245-M453 HydrophobicContact CD1-CE 3.97Å; L245-M453 HydrophobicContact CD1-SD 4.23Å; L245-M457 HydrophobicContact CB-CE 4.45Å; L245-M457 HydrophobicContact CD2-CE 3.75Å
246	Q	84.7	Confident	80.3	Confident	108 Å²	108	61.1 Å²	61.1	51%	0.505	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	46.5	-169.7	-78.1	167	-24.9	0	0	112.9	R205 A242 Y243	R205-Q246 VanDerWaalsContact CZ-OE1 3.24Å; A242-Q246 PolarHBondContact O-N 3.31Å; Y243-Q246 PolarHBondContact O-N 2.96Å
247	M	80	Confident	78	Confident	25 Å²	25	66.8 Å²	66.8	12%	0.123	33%	0.325	C	S	.	.	S	Bend	trans	-126.2	160.5	174.3	-66.4	-172.4	72.2	0	0	111.1	A242 L245 T251 L449 M453	A242-M247 CarbonylContact C-O 3.51Å; A242-M247 WeakPolarHBondContact CB-O 3.21Å; A242-M247 PolarHBondContact O-N 2.88Å; L245-M247 HydrophobicContact CB-CG 4.38Å; M247-T251 HydrophobicContact CE-CG2 3.49Å; M247-T251 VanDerWaalsContact CE-CG2 3.49Å; M247-L449 HydrophobicContact CE-CD1 4.42Å; M247-M453 HydrophobicContact CG-CG 4.49Å; M247-M453 HydrophobicContact SD-CB 4.48Å; M247-M453 HydrophobicContact SD-CE 3.57Å; M247-M453 VanDerWaalsContact SD-CE 3.57Å; M247-M453 HydrophobicContact SD-CG 3.33Å; M247-M453 WeakPolarHBondContact SD-CG 3.44Å; M247-M453 HydrophobicContact SD-SD 4.33Å
248	D	78.6	Confident	75.5	Confident	121 Å²	121	75 Å²	75	65%	0.647	36%	0.36	S	S	*	.			trans	-73.4	137.1	166.2	-53.4	-63.4	0	0	0	110.3	D250 T251 L252	D248-D250 VanDerWaalsContact C-N 3.34Å; D248-D250 PolarHBondContact O-N 3Å; D248-T251 WeakPolarHBondContact O-CB 3.17Å; D248-T251 PolarHBondContact O-N 3.31Å; D248-L252 PolarHBondContact O-N 3.4Å
249	A	78.6	Confident	73	Confident	24 Å²	24	79.8 Å²	79.8	20%	0.198	39%	0.39	C	S	.	.	H	α-helix	trans	-57.7	-45.4	-177	0	0	0	0	0	112	V238 A242 T251 L252 E253	V238-A249 HydrophobicContact CG1-CB 4.41Å; A242-A249 HydrophobicContact CB-CB 3.98Å; A249-T251 PolarHBondContact O-N 2.79Å; A249-T251 VanDerWaalsContact O-N 3.08Å; A249-L252 WeakPolarHBondContact O-CA 3.13Å; A249-L252 WeakPolarHBondContact O-CB 3.48Å; A249-L252 PolarHBondContact O-N 3.17Å; A249-E253 PolarHBondContact O-N 3.17Å; A249-E253 VanDerWaalsContact O-N 3.08Å
250	D	75	Confident	70.5	Confident	120 Å²	120	80.5 Å²	80.5	64%	0.642	40%	0.403	S	S	*	.	H	α-helix	trans	-51.9	-33.4	175	-52.1	6.8	0	0	0	112.6	D248 S254	D248-D250 VanDerWaalsContact C-N 3.34Å; D248-D250 PolarHBondContact O-N 3Å; D250-S254 WeakPolarHBondContact O-CB 3.32Å; D250-S254 PolarHBondContact O-N 3.49Å; D250-S254 PolarHBondContact O-OG 3.48Å
251	T	74.8	Confident	68.3	Low	44 Å²	44	82.8 Å²	82.8	27%	0.27	42%	0.417	S	S	.	.	H	α-helix	trans	-76.2	-30	177.8	-56.3	0	0	0	0	111.8	M247 D248 A249 E253 Q255	M247-T251 HydrophobicContact CE-CG2 3.49Å; M247-T251 VanDerWaalsContact CE-CG2 3.49Å; D248-T251 WeakPolarHBondContact O-CB 3.17Å; D248-T251 PolarHBondContact O-N 3.31Å; A249-T251 PolarHBondContact O-N 2.79Å; A249-T251 VanDerWaalsContact O-N 3.08Å; T251-E253 VanDerWaalsContact C-N 3.34Å; T251-Q255 HydrophobicContact CG2-CG 4.14Å; T251-Q255 WeakPolarHBondContact O-CG 3.39Å
252	L	74.4	Confident	66.5	Low	34 Å²	34	90.1 Å²	90.1	18%	0.178	44%	0.444	C	S	.	.	H	α-helix	trans	-72	-31.7	174.1	-161.9	63.9	0	0	0	111.4	V238 C241 L245 D248 A249 L275 M453	V238-L252 HydrophobicContact CG1-CD2 4.23Å; C241-L252 HydrophobicContact CB-CD2 3.77Å; L245-L252 HydrophobicContact CD1-CD1 4.26Å; D248-L252 PolarHBondContact O-N 3.4Å; A249-L252 WeakPolarHBondContact O-CA 3.13Å; A249-L252 WeakPolarHBondContact O-CB 3.48Å; A249-L252 PolarHBondContact O-N 3.17Å; L252-L275 HydrophobicContact CD1-CD2 4.15Å; L252-M453 HydrophobicContact CD1-CE 3.47Å; L252-M453 VanDerWaalsContact CD1-CE 3.47Å
253	E	71.8	Confident	65.3	Low	100 Å²	100	93.1 Å²	93.1	47%	0.467	46%	0.46	S	S	.	.	H	α-helix	trans	-84.9	-39.5	179.8	-62	-176.4	178.8	0	0	113.8	I232 V238 A249 T251	I232-E253 HydrophobicContact CD1-CG 3.83Å; V238-E253 HydrophobicContact CG1-CG 4.1Å; A249-E253 PolarHBondContact O-N 3.17Å; A249-E253 VanDerWaalsContact O-N 3.08Å; T251-E253 VanDerWaalsContact C-N 3.34Å
254	S	63.1	Low	64.5	Low	45 Å²	45	88.5 Å²	88.5	32%	0.315	45%	0.449	S	S	.	.	H	α-helix	trans	-93.4	-7.9	-165.5	65.3	0	0	0	0	117.1	D250 E256 Q257	D250-S254 WeakPolarHBondContact O-CB 3.32Å; D250-S254 PolarHBondContact O-N 3.49Å; D250-S254 PolarHBondContact O-OG 3.48Å; S254-E256 VanDerWaalsContact C-N 3.3Å; S254-E256 PolarHBondContact O-N 2.86Å; S254-Q257 WeakPolarHBondContact O-CB 3.48Å; S254-Q257 WeakPolarHBondContact O-CG 3.49Å; S254-Q257 PolarHBondContact O-N 3.34Å
255	Q	54.4	Low	64.1	Low	104 Å²	104	91.3 Å²	91.3	49%	0.486	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.5	-162.2	-91.4	-84.4	-59.5	0	0	117.1	T251 L449	T251-Q255 HydrophobicContact CG2-CG 4.14Å; T251-Q255 WeakPolarHBondContact O-CG 3.39Å; Q255-L449 HydrophobicContact CG-CD1 4.2Å
256	E	48.7	Very low	63.5	Low	104 Å²	104	97.5 Å²	97.5	49%	0.486	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-0.7	175.4	-73.6	-146.6	125.8	0	0	115.3	S254 K258 T259 M271	S254-E256 VanDerWaalsContact C-N 3.3Å; S254-E256 PolarHBondContact O-N 2.86Å; E256-K258 PolarHBondContact O-N 3.23Å; E256-T259 PolarHBondContact O-N 3.11Å; E256-T259 VanDerWaalsContact O-N 3.16Å; E256-M271 HydrophobicContact CG-CE 4.2Å; E256-M271 VanDerWaalsContact OE2-CE 3.27Å; E256-M271 WeakPolarHBondContact OE2-CE 3.47Å
257	Q	41	Very low	63.1	Low	156 Å²	156	96.6 Å²	96.6	73%	0.729	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-8.9	-175.4	-74.2	-171.3	-1.5	0	0	115.6	S254 T259	S254-Q257 WeakPolarHBondContact O-CB 3.48Å; S254-Q257 WeakPolarHBondContact O-CG 3.49Å; S254-Q257 PolarHBondContact O-N 3.34Å; Q257-T259 PolarHBondContact O-N 3.19Å
258	K	39.3	Very low	63.1	Low	209 Å²	209	95.8 Å²	95.8	91%	0.909	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-6.2	174.7	-74.5	-175.5	175.9	176.6	0	114.9	E256	E256-K258 PolarHBondContact O-N 3.23Å
259	T	36.3	Very low	63.4	Low	104 Å²	104	92.8 Å²	92.8	64%	0.638	47%	0.466	S	S	*	.	S	Bend	trans	-126.6	120.3	166.7	-45.1	0	0	0	0	109.9	E256 Q257 Q261	E256-T259 PolarHBondContact O-N 3.11Å; E256-T259 VanDerWaalsContact O-N 3.16Å; Q257-T259 PolarHBondContact O-N 3.19Å; T259-Q261 PolarHBondContact O-N 3.2Å
260	V	38.1	Very low	63.3	Low	143 Å²	143	93.6 Å²	93.6	87%	0.867	47%	0.467	S	S	*	.			trans	-79.3	69.9	-177.4	-169.5	0	0	0	0	110.9
261	Q	46.3	Very low	63.5	Low	139 Å²	139	89.5 Å²	89.5	65%	0.65	44%	0.444	S	S	*	.			trans	-111.7	109.7	159.2	-72.8	-169.4	-12.1	0	0	107.8	T259 L263	T259-Q261 PolarHBondContact O-N 3.2Å; Q261-L263 PolarHBondContact O-N 3.2Å
262	R	54.5	Low	64.1	Low	155 Å²	155	88.4 Å²	88.4	59%	0.585	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-55	125.3	170.2	-73.5	178.2	165.5	119.7	-18.5	108.1	D223 T227	D223-R262 IonicContact OD2-CZ 2.77Å; D223-R262 IonicContact OD2-NE 2.8Å; D223-R262 IonicContact OD2-NH2 2.67Å; D223-R262 PolarHBondContact OD2-NH2 2.93Å; T227-R262 VanDerWaalsContact CG2-CZ 3.49Å
263	L	63.8	Low	64.6	Low	69 Å²	69	87.8 Å²	87.8	36%	0.361	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-69.9	158.7	178.7	-74.3	157.6	0	0	0	110.5	I230 Q261 R267 M271	I230-L263 HydrophobicContact CD1-CB 4.42Å; I230-L263 WeakPolarHBondContact CD1-O 3.32Å; Q261-L263 PolarHBondContact O-N 3.2Å; L263-R267 HydrophobicContact CD2-CB 4.33Å; L263-R267 HydrophobicContact CD2-CG 3.75Å; L263-M271 HydrophobicContact CD1-SD 4.47Å; L263-M271 HydrophobicContact CD2-SD 3.7Å
264	S	74.1	Confident	65.1	Low	54 Å²	54	83.4 Å²	83.4	38%	0.378	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-100.4	157.5	166.8	64.7	0	0	0	0	110.4	E266 R267 A268	S264-E266 VanDerWaalsContact C-N 3.3Å; S264-E266 PolarHBondContact O-N 3.27Å; S264-R267 PolarHBondContact O-N 3.16Å; S264-R267 WeakPolarHBondContact OG-CB 3.31Å; S264-R267 PolarHBondContact OG-N 3.09Å; S264-A268 PolarHBondContact O-N 2.79Å
265	L	81.4	Confident	66.1	Low	58 Å²	58	81.8 Å²	81.8	30%	0.304	40%	0.4	S	S	.	.	H	α-helix	trans	-55.8	-45.8	-178.4	177.4	59.7	0	0	0	111.8	F218 E220 I230 R267 A268 L269	F218-L265 HydrophobicContact CB-CD1 3.7Å; E220-L265 HydrophobicContact CG-CB 4.35Å; E220-L265 HydrophobicContact CG-CD2 4.31Å; I230-L265 HydrophobicContact CD1-CB 4.47Å; I230-L265 VanDerWaalsContact CD1-N 3.25Å; L265-R267 VanDerWaalsContact C-N 3.33Å; L265-R267 PolarHBondContact O-N 3.07Å; L265-A268 PolarHBondContact O-N 2.81Å; L265-L269 HydrophobicContact CD1-CD1 4.35Å; L265-L269 HydrophobicContact CG-CD1 4.26Å; L265-L269 WeakPolarHBondContact O-CG 3.32Å; L265-L269 PolarHBondContact O-N 2.92Å
266	E	74.6	Confident	67.8	Low	132 Å²	132	76.8 Å²	76.8	62%	0.617	38%	0.377	S	S	*	.	H	α-helix	trans	-55	-46.4	173.3	-63.5	158.8	168.4	0	0	111.7	S264 L269 D270	S264-E266 VanDerWaalsContact C-N 3.3Å; S264-E266 PolarHBondContact O-N 3.27Å; E266-L269 PolarHBondContact O-N 3.37Å; E266-D270 WeakPolarHBondContact O-CB 3.33Å; E266-D270 PolarHBondContact O-N 2.67Å
267	R	76	Confident	69.6	Low	89 Å²	89	73 Å²	73	34%	0.336	36%	0.359	S	S	.	.	H	α-helix	trans	-71.3	-33.1	-177.9	-172.4	168.9	165.3	169.3	-6.1	112.8	L263 S264 L265 D270 M271 F444	L263-R267 HydrophobicContact CD2-CB 4.33Å; L263-R267 HydrophobicContact CD2-CG 3.75Å; S264-R267 PolarHBondContact O-N 3.16Å; S264-R267 WeakPolarHBondContact OG-CB 3.31Å; S264-R267 PolarHBondContact OG-N 3.09Å; L265-R267 VanDerWaalsContact C-N 3.33Å; L265-R267 PolarHBondContact O-N 3.07Å; R267-D270 PolarHBondContact O-N 2.91Å; R267-M271 HydrophobicContact CG-SD 4.2Å; R267-M271 WeakPolarHBondContact O-CB 3.46Å; R267-M271 VanDerWaalsContact O-CG 3.23Å; R267-M271 WeakPolarHBondContact O-CG 3.45Å; R267-M271 PolarHBondContact O-N 3.42Å; R267-F444 HydrophobicContact CG-CE1 3.99Å; R267-F444 HydrophobicContact CG-CZ 4Å
268	A	80.2	Confident	71.7	Confident	8 Å²	8	67.1 Å²	67.1	7%	0.066	33%	0.332	C	S	.	.	H	α-helix	trans	-65.6	-43.6	172.8	0	0	0	0	0	111.3	F218 S264 L265 M271 R272	F218-A268 HydrophobicContact CD1-CB 4.13Å; F218-A268 HydrophobicContact CD2-CB 3.8Å; F218-A268 HydrophobicContact CE1-CB 4.1Å; F218-A268 VanDerWaalsContact CE2-C 3.47Å; F218-A268 HydrophobicContact CE2-CB 3.76Å; F218-A268 WeakPolarHBondContact CE2-O 3.17Å; F218-A268 HydrophobicContact CG-CB 4Å; F218-A268 HydrophobicContact CZ-CB 3.91Å; S264-A268 PolarHBondContact O-N 2.79Å; L265-A268 PolarHBondContact O-N 2.81Å; A268-M271 PolarHBondContact O-N 3.46Å; A268-R272 WeakPolarHBondContact O-CB 3.45Å; A268-R272 PolarHBondContact O-N 2.93Å
269	L	84.4	Confident	74	Confident	58 Å²	58	57.3 Å²	57.3	30%	0.304	29%	0.289	S	S	.	.	H	α-helix	trans	-62.7	-44.8	173.1	-68.6	166.9	0	0	0	111.8	F218 L265 E266 M271 R272 D273	F218-L269 HydrophobicContact CD2-CD2 3.86Å; F218-L269 HydrophobicContact CD2-CG 4.07Å; F218-L269 HydrophobicContact CE2-CD2 4.08Å; F218-L269 HydrophobicContact CE2-CG 4.38Å; L265-L269 HydrophobicContact CD1-CD1 4.35Å; L265-L269 HydrophobicContact CG-CD1 4.26Å; L265-L269 WeakPolarHBondContact O-CG 3.32Å; L265-L269 PolarHBondContact O-N 2.92Å; E266-L269 PolarHBondContact O-N 3.37Å; L269-M271 VanDerWaalsContact C-N 3.33Å; L269-M271 PolarHBondContact O-N 2.8Å; L269-R272 WeakPolarHBondContact O-CB 3.42Å; L269-R272 PolarHBondContact O-N 2.83Å; L269-D273 WeakPolarHBondContact O-CB 3.36Å; L269-D273 PolarHBondContact O-N 3.19Å
270	D	77.4	Confident	76.7	Confident	41 Å²	41	52.5 Å²	52.5	22%	0.219	26%	0.259	C	S	.	.	H	α-helix	trans	-59.1	-41	175.4	-95.8	-24.5	0	0	0	112.6	E266 R267 D273 A274 F444	E266-D270 WeakPolarHBondContact O-CB 3.33Å; E266-D270 PolarHBondContact O-N 2.67Å; R267-D270 PolarHBondContact O-N 2.91Å; D270-D273 PolarHBondContact O-N 3.45Å; D270-A274 WeakPolarHBondContact O-CB 3.28Å; D270-A274 PolarHBondContact O-N 3.41Å; D270-F444 HydrophobicContact CB-CD2 3.77Å; D270-F444 HydrophobicContact CB-CE2 3.59Å; D270-F444 HydrophobicContact CB-CZ 4.34Å; D270-F444 WeakPolarHBondContact OD2-CE2 3.31Å
271	M	78.9	Confident	79	Confident	33 Å²	33	46.1 Å²	46.1	16%	0.163	22%	0.222	C	C	.	.	H	α-helix	trans	-68.4	-41.7	178.5	-74.4	169.4	68.2	0	0	112.2	E256 L263 R267 A268 L269 A274 L275 F444	E256-M271 HydrophobicContact CG-CE 4.2Å; E256-M271 VanDerWaalsContact OE2-CE 3.27Å; E256-M271 WeakPolarHBondContact OE2-CE 3.47Å; L263-M271 HydrophobicContact CD1-SD 4.47Å; L263-M271 HydrophobicContact CD2-SD 3.7Å; R267-M271 HydrophobicContact CG-SD 4.2Å; R267-M271 WeakPolarHBondContact O-CB 3.46Å; R267-M271 VanDerWaalsContact O-CG 3.23Å; R267-M271 WeakPolarHBondContact O-CG 3.45Å; R267-M271 PolarHBondContact O-N 3.42Å; A268-M271 PolarHBondContact O-N 3.46Å; L269-M271 VanDerWaalsContact C-N 3.33Å; L269-M271 PolarHBondContact O-N 2.8Å; M271-A274 PolarHBondContact O-N 2.88Å; M271-L275 WeakPolarHBondContact O-CB 3.22Å; M271-L275 PolarHBondContact O-N 2.85Å; M271-F444 HydrophobicContact CG-CD1 4.23Å
272	R	86.7	Confident	81	Confident	21 Å²	21	40.5 Å²	40.5	8%	0.079	20%	0.196	C	C	.	.	H	α-helix	trans	-58.6	-48.6	171.9	179.6	-159.1	76	160.6	4.2	111.2	F164 L213 G214 V216 F218 A268 L269 L275 A276	F164-R272 VanDerWaalsContact CE1-NH2 3.34Å; L213-R272 HydrophobicContact CD1-CG 4.06Å; L213-R272 HydrophobicContact CG-CG 4.05Å; L213-R272 WeakPolarHBondContact O-CD 3.24Å; L213-R272 WeakPolarHBondContact O-CG 3.47Å; G214-R272 PolarHBondContact O-NH1 3.06Å; V216-R272 VanDerWaalsContact O-CD 3.24Å; V216-R272 WeakPolarHBondContact O-CD 3.43Å; V216-R272 PolarHBondContact O-NH1 3.35Å; F218-R272 HydrophobicContact CE2-CB 4.27Å; F218-R272 HydrophobicContact CZ-CB 4.35Å; A268-R272 WeakPolarHBondContact O-CB 3.45Å; A268-R272 PolarHBondContact O-N 2.93Å; L269-R272 WeakPolarHBondContact O-CB 3.42Å; L269-R272 PolarHBondContact O-N 2.83Å; R272-L275 PolarHBondContact O-N 2.68Å; R272-A276 PolarHBondContact O-N 3.29Å
273	D	86.1	Confident	82.7	Confident	22 Å²	22	33.3 Å²	33.3	12%	0.118	17%	0.17	C	C	.	.	H	α-helix	trans	-68	-38.3	-179.9	-81.1	31.8	0	0	0	112.1	V128 Y165 L269 D270 A276 K277	V128-D273 HydrophobicContact CB-CB 4.32Å; V128-D273 VanDerWaalsContact CB-OD2 3.24Å; V128-D273 WeakPolarHBondContact CB-OD2 3.28Å; V128-D273 HydrophobicContact CG1-CB 4Å; V128-D273 HydrophobicContact CG2-CB 4.3Å; V128-D273 VanDerWaalsContact CG2-OD2 3.22Å; V128-D273 WeakPolarHBondContact CG2-OD2 3.35Å; Y165-D273 PolarHBondContact OH-OD1 3.41Å; L269-D273 WeakPolarHBondContact O-CB 3.36Å; L269-D273 PolarHBondContact O-N 3.19Å; D270-D273 PolarHBondContact O-N 3.45Å; D273-A276 PolarHBondContact O-N 2.92Å; D273-K277 WeakPolarHBondContact O-CB 3.47Å; D273-K277 VanDerWaalsContact O-CD 3.26Å; D273-K277 WeakPolarHBondContact O-CD 3.33Å; D273-K277 WeakPolarHBondContact O-CE 3.35Å; D273-K277 WeakPolarHBondContact O-CG 3.49Å; D273-K277 PolarHBondContact O-N 2.73Å
274	A	81.9	Confident	84.1	Confident	7 Å²	7	30.3 Å²	30.3	6%	0.058	15%	0.154	C	C	.	.	H	α-helix	trans	-65.8	-41.5	174.7	0	0	0	0	0	112.2	D270 M271 K277 E278 F444	D270-A274 WeakPolarHBondContact O-CB 3.28Å; D270-A274 PolarHBondContact O-N 3.41Å; M271-A274 PolarHBondContact O-N 2.88Å; A274-K277 PolarHBondContact O-N 3.09Å; A274-E278 PolarHBondContact O-N 3.03Å; A274-F444 HydrophobicContact CB-CB 3.77Å
275	L	84.6	Confident	84.9	Confident	11 Å²	11	30.7 Å²	30.7	6%	0.058	16%	0.157	C	C	.	.	H	α-helix	trans	-61.4	-44.8	174.8	178.7	59.5	0	0	0	111.2	L213 L252 M271 R272 E278 L279 L449 V450 M453	L213-L275 HydrophobicContact CD1-CD2 4.32Å; L213-L275 HydrophobicContact CD2-CB 4Å; L213-L275 HydrophobicContact CD2-CD2 3.83Å; L213-L275 HydrophobicContact CD2-CG 3.7Å; L252-L275 HydrophobicContact CD1-CD2 4.15Å; M271-L275 WeakPolarHBondContact O-CB 3.22Å; M271-L275 PolarHBondContact O-N 2.85Å; R272-L275 PolarHBondContact O-N 2.68Å; L275-E278 PolarHBondContact O-N 3.37Å; L275-L279 HydrophobicContact CD1-CD1 4.08Å; L275-L279 HydrophobicContact CD1-CG 4.21Å; L275-L279 HydrophobicContact CG-CD1 4.02Å; L275-L279 WeakPolarHBondContact O-CB 3.42Å; L275-L279 VanDerWaalsContact O-CG 3.32Å; L275-L279 WeakPolarHBondContact O-CG 3.37Å; L275-L279 PolarHBondContact O-N 3.11Å; L275-L449 HydrophobicContact CD1-CD2 4.47Å; L275-V450 HydrophobicContact CD1-CG2 3.53Å; L275-M453 HydrophobicContact CD1-CE 4.05Å; L275-M453 HydrophobicContact CD1-SD 3.89Å; L275-M453 HydrophobicContact CD2-CE 4.21Å
276	A	90.1	Very high	85.3	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.4	-48.3	173.4	0	0	0	0	0	112.3	L127 V128 Y165 V210 L213 R272 D273 E278 L279 Y280	L127-A276 VanDerWaalsContact CD2-C 3.41Å; L127-A276 HydrophobicContact CD2-CB 4.07Å; L127-A276 WeakPolarHBondContact CD2-O 3.21Å; V128-A276 HydrophobicContact CG1-CB 4.36Å; Y165-A276 HydrophobicContact CE2-CB 3.62Å; V210-A276 HydrophobicContact CG1-CB 4.38Å; L213-A276 HydrophobicContact CD2-CB 4.04Å; R272-A276 PolarHBondContact O-N 3.29Å; D273-A276 PolarHBondContact O-N 2.92Å; A276-E278 PolarHBondContact O-N 3.08Å; A276-L279 PolarHBondContact O-N 3.02Å; A276-Y280 PolarHBondContact O-N 2.84Å
277	K	86.8	Confident	86.2	Confident	25 Å²	25	23 Å²	23	11%	0.109	12%	0.118	C	C	.	.	H	α-helix	trans	-58.3	-43.8	179.5	-71.9	160.1	-161.8	161.1	0	112.3	K124 V128 D273 A274 A281	K124-K277 HydrophobicContact CB-CB 4.22Å; K124-K277 HydrophobicContact CB-CG 4.17Å; K124-K277 HydrophobicContact CD-CB 4.36Å; V128-K277 HydrophobicContact CG1-CG 4.16Å; D273-K277 WeakPolarHBondContact O-CB 3.47Å; D273-K277 VanDerWaalsContact O-CD 3.26Å; D273-K277 WeakPolarHBondContact O-CD 3.33Å; D273-K277 WeakPolarHBondContact O-CE 3.35Å; D273-K277 WeakPolarHBondContact O-CG 3.49Å; D273-K277 PolarHBondContact O-N 2.73Å; A274-K277 PolarHBondContact O-N 3.09Å; K277-A281 VanDerWaalsContact O-CB 3.24Å; K277-A281 WeakPolarHBondContact O-CB 3.07Å; K277-A281 PolarHBondContact O-N 3.37Å
278	E	84	Confident	87	Confident	32 Å²	32	19.4 Å²	19.4	15%	0.15	11%	0.107	C	C	.	.	H	α-helix	trans	-79.6	-32.6	-178.6	-65.3	-53.3	151.8	0	0	113.7	K124 A274 L275 A276 T282 V450	K124-E278 IonicContact NZ-OE1 2.7Å; K124-E278 PolarHBondContact NZ-OE1 2.91Å; K124-E278 IonicContact NZ-OE2 2.69Å; K124-E278 PolarHBondContact NZ-OE2 3.26Å; A274-E278 PolarHBondContact O-N 3.03Å; L275-E278 PolarHBondContact O-N 3.37Å; A276-E278 PolarHBondContact O-N 3.08Å; E278-T282 WeakPolarHBondContact O-CB 3.44Å; E278-T282 PolarHBondContact O-N 3.43Å; E278-T282 PolarHBondContact O-OG1 3.34Å; E278-V450 HydrophobicContact CB-CG2 4.05Å
279	L	88.5	Confident	87.6	Confident	2 Å²	2	20 Å²	20	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-59.2	-49.5	169.1	-77	167.1	0	0	0	110.9	L206 V210 L213 L245 L275 A276 T282 L283 V450 M453	L206-L279 HydrophobicContact CD2-CD2 4.07Å; V210-L279 HydrophobicContact CG2-CB 3.89Å; V210-L279 HydrophobicContact CG2-CD1 4.43Å; L213-L279 HydrophobicContact CD2-CD1 4.29Å; L245-L279 HydrophobicContact CD2-CD1 4.15Å; L245-L279 HydrophobicContact CD2-CD2 4.07Å; L275-L279 HydrophobicContact CD1-CD1 4.08Å; L275-L279 HydrophobicContact CD1-CG 4.21Å; L275-L279 HydrophobicContact CG-CD1 4.02Å; L275-L279 WeakPolarHBondContact O-CB 3.42Å; L275-L279 VanDerWaalsContact O-CG 3.32Å; L275-L279 WeakPolarHBondContact O-CG 3.37Å; L275-L279 PolarHBondContact O-N 3.11Å; A276-L279 PolarHBondContact O-N 3.02Å; L279-T282 PolarHBondContact O-N 3.2Å; L279-L283 WeakPolarHBondContact O-CB 3.45Å; L279-L283 PolarHBondContact O-N 3.12Å; L279-V450 HydrophobicContact CD2-CG1 4.2Å; L279-V450 HydrophobicContact CD2-CG2 4.44Å; L279-V450 HydrophobicContact CG-CG2 4.29Å; L279-M453 HydrophobicContact CD2-SD 4.22Å
280	Y	92.4	Very high	87.9	Confident	4 Å²	4	18.4 Å²	18.4	2%	0.016	10%	0.101	C	C	.	.	H	α-helix	trans	-65.3	-45.3	179	-169.4	-97.3	0	0	0	112.4	F85 L122 L127 F137 V139 F140 L207 A276 T282 L283 V284	F85-Y280 HydrophobicContact CD1-CE2 4.38Å; F85-Y280 PolarHBondContact O-OH 3.11Å; L122-Y280 HydrophobicContact CD2-CD1 4.43Å; L127-Y280 HydrophobicContact CD1-CD1 4.31Å; L127-Y280 HydrophobicContact CD1-CD2 3.93Å; L127-Y280 HydrophobicContact CD1-CE2 4.38Å; L127-Y280 HydrophobicContact CD1-CG 3.89Å; L127-Y280 HydrophobicContact CD2-CG 4.15Å; F137-Y280 WeakPolarHBondContact CB-OH 2.98Å; F137-Y280 HydrophobicContact CD2-CD1 4.44Å; F137-Y280 AromaticContact CD2-CE1 3.65Å; F137-Y280 HydrophobicContact CD2-CE1 3.65Å; F137-Y280 AromaticContact CD2-CZ 3.77Å; F137-Y280 HydrophobicContact CE2-CD1 4.35Å; F137-Y280 AromaticContact CE2-CE1 3.79Å; F137-Y280 HydrophobicContact CE2-CE1 3.79Å; F137-Y280 HydrophobicContact CG-CE1 4.11Å; F137-Y280 AromaticContact CG-CZ 3.98Å; F137-Y280 WeakPolarHBondContact CG-OH 3.3Å; F137-Y280 HydrophobicContact CZ-CE1 4.35Å; V139-Y280 HydrophobicContact CG1-CE2 4.16Å; V139-Y280 WeakPolarHBondContact CG1-OH 3.46Å; F140-Y280 HydrophobicContact CE2-CD2 4.06Å; F140-Y280 AromaticContact CE2-CE2 3.54Å; F140-Y280 HydrophobicContact CE2-CE2 3.54Å; F140-Y280 AromaticContact CZ-CD2 3.6Å; F140-Y280 HydrophobicContact CZ-CD2 3.6Å; F140-Y280 AromaticContact CZ-CE2 3.44Å; F140-Y280 HydrophobicContact CZ-CE2 3.44Å; F140-Y280 VanDerWaalsContact CZ-CE2 3.44Å; L207-Y280 HydrophobicContact CD2-CD2 4.06Å; L207-Y280 HydrophobicContact CD2-CE2 3.72Å; A276-Y280 PolarHBondContact O-N 2.84Å; Y280-T282 VanDerWaalsContact C-N 3.32Å; Y280-T282 PolarHBondContact O-N 3.49Å; Y280-L283 PolarHBondContact O-N 2.77Å; Y280-V284 HydrophobicContact CD1-CG2 4.13Å; Y280-V284 HydrophobicContact CE1-CG2 3.79Å; Y280-V284 WeakPolarHBondContact O-CG2 3.13Å; Y280-V284 PolarHBondContact O-N 2.87Å
281	A	87.1	Confident	88.7	Confident	9 Å²	9	16.5 Å²	16.5	7%	0.074	9%	0.091	C	C	.	.	H	α-helix	trans	-61.4	-40.2	177.9	0	0	0	0	0	112.1	L122 K124 K277 V284 S285	L122-A281 HydrophobicContact CD2-CB 4.34Å; K124-A281 HydrophobicContact CD-CB 4.09Å; K277-A281 VanDerWaalsContact O-CB 3.24Å; K277-A281 WeakPolarHBondContact O-CB 3.07Å; K277-A281 PolarHBondContact O-N 3.37Å; A281-V284 PolarHBondContact O-N 3.31Å; A281-S285 PolarHBondContact O-N 2.76Å; A281-S285 PolarHBondContact O-OG 3.1Å
282	T	87.3	Confident	89.4	Confident	20 Å²	20	16.2 Å²	16.2	12%	0.123	9%	0.09	C	C	.	.	H	α-helix	trans	-71.9	-34.7	179.5	-47.2	0	0	0	0	112	E278 L279 Y280 S285 W286 L454 T461	E278-T282 WeakPolarHBondContact O-CB 3.44Å; E278-T282 PolarHBondContact O-N 3.43Å; E278-T282 PolarHBondContact O-OG1 3.34Å; L279-T282 PolarHBondContact O-N 3.2Å; Y280-T282 VanDerWaalsContact C-N 3.32Å; Y280-T282 PolarHBondContact O-N 3.49Å; T282-S285 PolarHBondContact O-N 3.21Å; T282-W286 WeakPolarHBondContact O-CB 3.48Å; T282-W286 PolarHBondContact O-N 3.44Å; T282-L454 HydrophobicContact CG2-CD1 3.34Å; T282-T461 HydrophobicContact CG2-CG2 3.99Å
283	L	91.6	Very high	89.6	Confident	4 Å²	4	20.8 Å²	20.8	2%	0.021	11%	0.111	C	C	.	.	H	α-helix	trans	-59.9	-45.8	170	173.6	60	0	0	0	111.7	F85 I203 L206 L207 L279 Y280 W286 L287	F85-L283 HydrophobicContact CE1-CD2 4.02Å; F85-L283 HydrophobicContact CE1-CG 4.34Å; I203-L283 HydrophobicContact CB-CD1 4.44Å; I203-L283 HydrophobicContact CG1-CD1 4.08Å; I203-L283 HydrophobicContact CG2-CD1 4.35Å; L206-L283 HydrophobicContact CB-CD2 4.06Å; L206-L283 HydrophobicContact CD1-CB 4.48Å; L206-L283 HydrophobicContact CD1-CD1 4.05Å; L207-L283 HydrophobicContact CD2-CD2 3.98Å; L207-L283 HydrophobicContact CG-CD2 4Å; L279-L283 WeakPolarHBondContact O-CB 3.45Å; L279-L283 PolarHBondContact O-N 3.12Å; Y280-L283 PolarHBondContact O-N 2.77Å; L283-W286 PolarHBondContact O-N 2.89Å; L283-L287 HydrophobicContact CD1-CD1 4.47Å; L283-L287 HydrophobicContact CG-CD1 4.42Å; L283-L287 WeakPolarHBondContact O-CG 3.41Å; L283-L287 PolarHBondContact O-N 2.86Å
284	V	93.1	Very high	89.8	Confident	7 Å²	7	24 Å²	24	4%	0.042	12%	0.121	C	C	.	.	H	α-helix	trans	-62.9	-44.7	176.7	170.8	0	0	0	0	111.3	F85 T86 L119 L122 Y280 A281 W286 L287 V288	F85-V284 HydrophobicContact CB-CG2 4.27Å; F85-V284 HydrophobicContact CD1-CG2 4.16Å; T86-V284 HydrophobicContact CG2-CG1 4.43Å; L119-V284 HydrophobicContact CD1-CG1 3.46Å; L119-V284 VanDerWaalsContact CD1-CG1 3.46Å; L122-V284 HydrophobicContact CD2-CB 4.5Å; L122-V284 HydrophobicContact CD2-CG1 4.46Å; Y280-V284 HydrophobicContact CD1-CG2 4.13Å; Y280-V284 HydrophobicContact CE1-CG2 3.79Å; Y280-V284 WeakPolarHBondContact O-CG2 3.13Å; Y280-V284 PolarHBondContact O-N 2.87Å; A281-V284 PolarHBondContact O-N 3.31Å; V284-W286 VanDerWaalsContact C-N 3.32Å; V284-W286 PolarHBondContact O-N 3.15Å; V284-L287 WeakPolarHBondContact O-CB 3.31Å; V284-L287 PolarHBondContact O-N 3.42Å; V284-V288 WeakPolarHBondContact O-CG2 3.36Å; V284-V288 PolarHBondContact O-N 3.17Å
285	S	89.3	Confident	90.1	Very high	62 Å²	62	23.7 Å²	23.7	43%	0.434	12%	0.118	S	C	.	.	H	α-helix	trans	-63	-35.5	174.9	-65.2	0	0	0	0	113.2	A281 T282 V288 S289	A281-S285 PolarHBondContact O-N 2.76Å; A281-S285 PolarHBondContact O-OG 3.1Å; T282-S285 PolarHBondContact O-N 3.21Å; S285-V288 PolarHBondContact O-N 3.43Å; S285-S289 PolarHBondContact O-N 3.47Å
286	W	90.7	Very high	90.1	Very high	23 Å²	23	30.1 Å²	30.1	9%	0.087	15%	0.148	C	C	.	.	H	α-helix	trans	-66.3	-42.4	173.8	-179.2	91.4	0	0	0	111.8	Q199 I203 T282 L283 V284 V288 S289 H290 L459	Q199-W286 HydrophobicContact CB-CH2 4.22Å; Q199-W286 HydrophobicContact CG-CH2 4.48Å; I203-W286 HydrophobicContact CD1-CZ3 4.11Å; I203-W286 HydrophobicContact CG1-CZ3 4.33Å; T282-W286 WeakPolarHBondContact O-CB 3.48Å; T282-W286 PolarHBondContact O-N 3.44Å; L283-W286 PolarHBondContact O-N 2.89Å; V284-W286 VanDerWaalsContact C-N 3.32Å; V284-W286 PolarHBondContact O-N 3.15Å; W286-V288 VanDerWaalsContact C-N 3.35Å; W286-V288 PolarHBondContact O-N 2.87Å; W286-S289 WeakPolarHBondContact O-CB 3.2Å; W286-S289 PolarHBondContact O-N 3.29Å; W286-H290 HydrophobicContact CH2-CB 4.38Å; W286-H290 AromaticContact CH2-CD2 3.67Å; W286-H290 AromaticContact CZ2-CD2 3.76Å; W286-H290 HydrophobicContact CZ3-CB 4.44Å; W286-H290 PolarHBondContact O-N 3.47Å; W286-L459 HydrophobicContact CD2-CD2 3.97Å; W286-L459 HydrophobicContact CE3-CD2 4.46Å; W286-L459 HydrophobicContact CG-CD2 4.46Å; W286-L459 HydrophobicContact CH2-CD2 4.3Å; W286-L459 HydrophobicContact CZ2-CD2 3.75Å
287	L	93.5	Very high	89.3	Confident	4 Å²	4	32.1 Å²	32.1	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-59.9	-43.4	175.1	-73.9	165.7	0	0	0	111.6	I81 F85 L190 I195 I203 L283 V284 H290 I291	I81-L287 HydrophobicContact CG2-CD1 4.44Å; I81-L287 HydrophobicContact CG2-CD2 4.5Å; F85-L287 HydrophobicContact CD1-CD1 3.72Å; F85-L287 HydrophobicContact CD2-CD1 3.88Å; F85-L287 HydrophobicContact CE1-CD1 3.55Å; F85-L287 HydrophobicContact CE2-CD1 3.73Å; F85-L287 HydrophobicContact CG-CD1 3.88Å; F85-L287 HydrophobicContact CZ-CD1 3.55Å; L190-L287 HydrophobicContact CD2-CD2 4.38Å; I195-L287 HydrophobicContact CD1-CD2 4.29Å; I203-L287 HydrophobicContact CD1-CD2 3.95Å; L283-L287 HydrophobicContact CD1-CD1 4.47Å; L283-L287 HydrophobicContact CG-CD1 4.42Å; L283-L287 WeakPolarHBondContact O-CG 3.41Å; L283-L287 PolarHBondContact O-N 2.86Å; V284-L287 WeakPolarHBondContact O-CB 3.31Å; V284-L287 PolarHBondContact O-N 3.42Å; L287-H290 PolarHBondContact O-N 3.03Å; L287-I291 WeakPolarHBondContact O-CB 3.23Å; L287-I291 WeakPolarHBondContact O-CG1 3.41Å; L287-I291 PolarHBondContact O-N 2.61Å
288	V	93.2	Very high	88.3	Confident	15 Å²	15	37.5 Å²	37.5	9%	0.091	20%	0.197	C	C	.	.	H	α-helix	trans	-62.8	-43.4	174.7	175.9	0	0	0	0	111.7	L82 V117 L119 V284 S285 W286 H290 I291 N292	L82-V288 HydrophobicContact CD2-CG2 4.13Å; V117-V288 WeakPolarHBondContact O-CG1 3.4Å; L119-V288 HydrophobicContact CB-CG2 4.32Å; L119-V288 HydrophobicContact CD1-CG2 3.51Å; L119-V288 HydrophobicContact CG-CG2 3.68Å; V284-V288 WeakPolarHBondContact O-CG2 3.36Å; V284-V288 PolarHBondContact O-N 3.17Å; S285-V288 PolarHBondContact O-N 3.43Å; W286-V288 VanDerWaalsContact C-N 3.35Å; W286-V288 PolarHBondContact O-N 2.87Å; V288-H290 VanDerWaalsContact C-N 3.3Å; V288-H290 PolarHBondContact O-N 2.75Å; V288-I291 PolarHBondContact O-N 3.37Å; V288-N292 WeakPolarHBondContact O-CB 3.33Å; V288-N292 PolarHBondContact O-N 3.24Å
289	S	91.6	Very high	87.4	Confident	20 Å²	20	40.9 Å²	40.9	14%	0.14	23%	0.225	C	C	.	.	H	α-helix	trans	-59.5	-39.2	174.5	-176.8	0	0	0	0	112	S285 W286 K293 S463	S285-S289 PolarHBondContact O-N 3.47Å; W286-S289 WeakPolarHBondContact O-CB 3.2Å; W286-S289 PolarHBondContact O-N 3.29Å; S289-K293 WeakPolarHBondContact O-CD 3.1Å; S289-K293 VanDerWaalsContact O-CG 3.29Å; S289-K293 WeakPolarHBondContact O-CG 3.48Å; S289-K293 PolarHBondContact O-N 3.5Å; S289-K293 VanDerWaalsContact O-N 3.15Å; S289-K293 PolarHBondContact OG-NZ 2.79Å; S289-S463 PolarHBondContact OG-OG 2.87Å
290	H	92	Very high	86.1	Confident	25 Å²	25	41.6 Å²	41.6	12%	0.116	23%	0.233	C	C	.	.	H	α-helix	trans	-73.6	-36.6	177.3	-162.1	-64	0	0	0	113.1	I195 W286 L287 V288 R294	I195-H290 VanDerWaalsContact CG1-CE1 3.46Å; I195-H290 WeakPolarHBondContact CG1-CE1 3.18Å; W286-H290 HydrophobicContact CH2-CB 4.38Å; W286-H290 AromaticContact CH2-CD2 3.67Å; W286-H290 AromaticContact CZ2-CD2 3.76Å; W286-H290 HydrophobicContact CZ3-CB 4.44Å; W286-H290 PolarHBondContact O-N 3.47Å; L287-H290 PolarHBondContact O-N 3.03Å; V288-H290 VanDerWaalsContact C-N 3.3Å; V288-H290 PolarHBondContact O-N 2.75Å; H290-R294 PolarHBondContact O-N 3.45Å
291	I	93.8	Very high	84.9	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.3	-49.6	172.3	-77.3	163.6	0	0	0	110	A78 L82 V117 L193 L287 V288 K293 R294 L295	A78-I291 HydrophobicContact CB-CB 4.46Å; A78-I291 HydrophobicContact CB-CD1 4.03Å; A78-I291 HydrophobicContact CB-CG1 4.02Å; A78-I291 HydrophobicContact CB-CG2 3.6Å; L82-I291 HydrophobicContact CD1-CD1 4.48Å; L82-I291 HydrophobicContact CD2-CD1 4.25Å; L82-I291 HydrophobicContact CG-CD1 4.18Å; V117-I291 HydrophobicContact CB-CG2 4.42Å; V117-I291 HydrophobicContact CG2-CG2 4Å; L193-I291 HydrophobicContact CD1-CG1 4Å; L287-I291 WeakPolarHBondContact O-CB 3.23Å; L287-I291 WeakPolarHBondContact O-CG1 3.41Å; L287-I291 PolarHBondContact O-N 2.61Å; V288-I291 PolarHBondContact O-N 3.37Å; I291-K293 VanDerWaalsContact C-N 3.34Å; I291-K293 PolarHBondContact O-N 3.25Å; I291-R294 WeakPolarHBondContact O-CB 3.15Å; I291-R294 PolarHBondContact O-N 3.44Å; I291-L295 HydrophobicContact CG2-CD1 3.65Å; I291-L295 HydrophobicContact CG2-CG 4.4Å; I291-L295 PolarHBondContact O-N 2.84Å; I291-L295 VanDerWaalsContact O-N 3.08Å
292	N	93.2	Very high	84.5	Confident	28 Å²	28	51.4 Å²	51.4	15%	0.15	28%	0.275	C	S	.	.	H	α-helix	trans	-62.1	-40.8	-179	-71.8	-14.1	0	0	0	111.6	V117 V288 R294 L295 E296	V117-N292 PolarHBondContact N-OD1 3.5Å; V117-N292 PolarHBondContact O-ND2 2.96Å; V117-N292 PolarHBondContact O-OD1 3.4Å; V288-N292 WeakPolarHBondContact O-CB 3.33Å; V288-N292 PolarHBondContact O-N 3.24Å; N292-R294 PolarHBondContact O-N 2.99Å; N292-L295 PolarHBondContact O-N 3.08Å; N292-L295 VanDerWaalsContact O-N 3.12Å; N292-E296 WeakPolarHBondContact O-CB 3.45Å; N292-E296 PolarHBondContact O-N 3.39Å
293	K	91.1	Very high	84.3	Confident	117 Å²	117	50.6 Å²	50.6	51%	0.509	27%	0.27	S	S	.	.	H	α-helix	trans	-65.5	-4.8	173.4	-72.6	165.9	-178.3	155.6	0	115.3	S289 I291	S289-K293 WeakPolarHBondContact O-CD 3.1Å; S289-K293 VanDerWaalsContact O-CG 3.29Å; S289-K293 WeakPolarHBondContact O-CG 3.48Å; S289-K293 PolarHBondContact O-N 3.5Å; S289-K293 VanDerWaalsContact O-N 3.15Å; S289-K293 PolarHBondContact OG-NZ 2.79Å; I291-K293 VanDerWaalsContact C-N 3.34Å; I291-K293 PolarHBondContact O-N 3.25Å
294	R	89.5	Confident	84.1	Confident	89 Å²	89	50.9 Å²	50.9	34%	0.336	27%	0.272	S	S	.	.	H	α-helix	trans	-102.6	-33.8	169.8	-67.5	-67.2	-176.5	-135.6	-1.4	112.6	L193 K194 H290 I291 N292	L193-R294 HydrophobicContact CD2-CB 3.61Å; L193-R294 HydrophobicContact CD2-CG 3.84Å; L193-R294 WeakPolarHBondContact O-CG 3.16Å; L193-R294 PolarHBondContact O-NE 2.9Å; K194-R294 PolarHBondContact O-NH2 2.92Å; H290-R294 PolarHBondContact O-N 3.45Å; I291-R294 WeakPolarHBondContact O-CB 3.15Å; I291-R294 PolarHBondContact O-N 3.44Å; N292-R294 PolarHBondContact O-N 2.99Å
295	L	88.9	Confident	83.9	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-88.5	-10.6	179.5	-59.3	175.5	0	0	0	113.3	M71 E74 L75 A78 S114 A115 V117 I291 N292	M71-L295 HydrophobicContact CG-CD2 3.91Å; E74-L295 HydrophobicContact CB-CD2 4.19Å; L75-L295 HydrophobicContact CB-CD2 4.05Å; L75-L295 HydrophobicContact CD1-CD1 3.87Å; L75-L295 HydrophobicContact CD1-CD2 4.47Å; A78-L295 HydrophobicContact CB-CD1 4.48Å; S114-L295 CarbonylContact C-O 3.41Å; S114-L295 VanDerWaalsContact CA-O 3.29Å; S114-L295 WeakPolarHBondContact CA-O 3.42Å; S114-L295 VanDerWaalsContact CB-O 3.25Å; S114-L295 WeakPolarHBondContact CB-O 3.41Å; A115-L295 HydrophobicContact CB-CB 4.13Å; A115-L295 HydrophobicContact CB-CD1 4.2Å; A115-L295 PolarHBondContact N-O 3.08Å; A115-L295 CarbonylContact O-C 3.55Å; A115-L295 WeakPolarHBondContact O-CB 3.34Å; V117-L295 HydrophobicContact CG2-CD1 4.08Å; I291-L295 HydrophobicContact CG2-CD1 3.65Å; I291-L295 HydrophobicContact CG2-CG 4.4Å; I291-L295 PolarHBondContact O-N 2.84Å; I291-L295 VanDerWaalsContact O-N 3.08Å; N292-L295 PolarHBondContact O-N 3.08Å; N292-L295 VanDerWaalsContact O-N 3.12Å
296	E	83.8	Confident	84	Confident	147 Å²	147	48.1 Å²	48.1	69%	0.687	25%	0.252	S	S	*	.			trans	-66.2	136.9	175.5	-178.9	167.1	-141.2	0	0	111.7	N292	N292-E296 WeakPolarHBondContact O-CB 3.45Å; N292-E296 PolarHBondContact O-N 3.39Å
297	G	73.9	Confident	84	Confident	42 Å²	42	47 Å²	47	43%	0.433	25%	0.248	S	C	.	.			trans	-166	-166.4	-177.6	0	0	0	0	0	110.2	S299	G297-S299 PolarHBondContact O-N 3.01Å
298	I	66.7	Low	83.8	Confident	137 Å²	137	47 Å²	47	70%	0.703	25%	0.248	S	C	*	.	S	Bend	trans	-56.9	130.4	178.8	-55.4	174.8	0	0	0	109	S114 G300	S114-I298 PolarHBondContact OG-O 3.46Å; S114-I298 VanDerWaalsContact OG-O 3.12Å; I298-G300 PolarHBondContact O-N 3.38Å
299	S	64.1	Low	83.6	Confident	104 Å²	104	46.6 Å²	46.6	73%	0.727	25%	0.245	S	C	*	.	P	Polyproline II helix	trans	-63.9	118	-179.6	43.1	0	0	0	0	110.7	G297	G297-S299 PolarHBondContact O-N 3.01Å
300	G	60.9	Low	83.3	Confident	17 Å²	17	46.2 Å²	46.2	18%	0.175	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-64	148.8	170.9	0	0	0	0	0	111	F107 I298 T302	F107-G300 CarbonylContact O-C 3.54Å; F107-G300 WeakPolarHBondContact O-CA 3.17Å; I298-G300 PolarHBondContact O-N 3.38Å; G300-T302 VanDerWaalsContact C-N 3.3Å
301	K	68.4	Low	83.1	Confident	205 Å²	205	45.2 Å²	45.2	89%	0.891	24%	0.237	S	C	*	.	S	Bend	trans	-78.8	-17.9	174.1	-71.9	-166.6	176.2	-170.6	0	113	F107	F107-K301 PolarHBondContact O-N 3.03Å
302	T	77.3	Confident	82.8	Confident	13 Å²	13	45.4 Å²	45.4	8%	0.08	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	144	178	45.1	0	0	0	0	109.1	M34 F107 G300	M34-T302 HydrophobicContact CB-CG2 4.04Å; M34-T302 HydrophobicContact CG-CG2 4.35Å; M34-T302 VanDerWaalsContact O-CG2 3.25Å; M34-T302 WeakPolarHBondContact O-CG2 3.45Å; F107-T302 PolarHBondContact N-O 2.99Å; F107-T302 PolarHBondContact O-OG1 3.07Å; G300-T302 VanDerWaalsContact C-N 3.3Å
303	S	84.4	Confident	82.5	Confident	3 Å²	3	44 Å²	44	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	145	179.6	64.2	0	0	0	0	109.8	E37 D38 L105	E37-S303 WeakPolarHBondContact CB-OG 3.36Å; E37-S303 VanDerWaalsContact CD-OG 3.25Å; E37-S303 VanDerWaalsContact CG-OG 3.23Å; E37-S303 WeakPolarHBondContact CG-OG 3.37Å; E37-S303 PolarHBondContact OE1-OG 3.07Å; D38-S303 PolarHBondContact N-O 3.3Å; L105-S303 CarbonylContact O-C 3.6Å; L105-S303 VanDerWaalsContact O-CA 3.32Å; L105-S303 WeakPolarHBondContact O-CA 3.1Å
304	V	86.4	Confident	82.2	Confident	10 Å²	10	41.7 Å²	41.7	6%	0.061	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	115.6	167.8	-175.7	0	0	0	0	107.4	D38 V40 L61 L105 F107	D38-V304 CarbonylContact O-C 3.53Å; D38-V304 WeakPolarHBondContact O-CA 3.39Å; V40-V304 HydrophobicContact CG2-CG1 4.47Å; L61-V304 HydrophobicContact CD1-CB 4.45Å; L61-V304 HydrophobicContact CD1-CG1 3.88Å; L105-V304 WeakPolarHBondContact CB-O 3.49Å; L105-V304 PolarHBondContact N-O 2.81Å; L105-V304 PolarHBondContact O-N 3.35Å; F107-V304 HydrophobicContact CD2-CG2 4.18Å; F107-V304 HydrophobicContact CE2-CB 3.96Å; F107-V304 HydrophobicContact CE2-CG2 3.79Å
305	T	89.2	Confident	81.9	Confident	11 Å²	11	40 Å²	40	7%	0.067	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	128.9	-177.4	-60.7	0	0	0	0	110.5	D38 L39 V40 V102 F103 N104 V307	D38-T305 PolarHBondContact O-N 3.49Å; L39-T305 CarbonylContact C-O 3.6Å; L39-T305 VanDerWaalsContact CA-O 3.32Å; L39-T305 WeakPolarHBondContact CA-O 3.16Å; L39-T305 HydrophobicContact CD1-CG2 3.61Å; L39-T305 HydrophobicContact CG-CG2 3.91Å; V40-T305 PolarHBondContact N-O 2.83Å; V102-T305 HydrophobicContact CG1-CG2 3.55Å; F103-T305 CarbonylContact O-C 3.46Å; F103-T305 WeakPolarHBondContact O-CA 3.47Å; N104-T305 VanDerWaalsContact OD1-CG2 3.3Å; N104-T305 WeakPolarHBondContact OD1-CG2 3.06Å; N104-T305 PolarHBondContact OD1-OG1 3.09Å; T305-V307 HydrophobicContact CG2-CG2 4.15Å
306	V	90.6	Very high	81.6	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.9	176	-177.5	0	0	0	0	110.1	L57 V58 L61 F103	L57-V306 HydrophobicContact CD2-CB 4.42Å; L57-V306 HydrophobicContact CD2-CG1 3.85Å; L57-V306 HydrophobicContact CD2-CG2 3.67Å; L57-V306 HydrophobicContact CG-CG2 3.97Å; V58-V306 HydrophobicContact CG2-CB 4.05Å; V58-V306 HydrophobicContact CG2-CG1 4.19Å; V58-V306 HydrophobicContact CG2-CG2 4.09Å; L61-V306 HydrophobicContact CD1-CG2 4.29Å; F103-V306 HydrophobicContact CB-CB 4.37Å; F103-V306 PolarHBondContact N-O 3.5Å; F103-V306 PolarHBondContact O-N 3.36Å
307	V	90.5	Very high	81.5	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	110	-175.8	-172.7	0	0	0	0	111.4	L39 V40 L42 V102 T305 M309	L39-V307 HydrophobicContact CD1-CG2 4.24Å; L39-V307 HydrophobicContact CD2-CG2 4.02Å; L39-V307 HydrophobicContact CG-CG2 4.19Å; V40-V307 PolarHBondContact O-N 3.27Å; L42-V307 PolarHBondContact N-O 3.08Å; V102-V307 HydrophobicContact CG1-CG2 4.41Å; V102-V307 HydrophobicContact CG2-CG1 4.34Å; V102-V307 HydrophobicContact CG2-CG2 4.44Å; T305-V307 HydrophobicContact CG2-CG2 4.15Å; V307-M309 HydrophobicContact CG1-CG 3.66Å; V307-M309 HydrophobicContact CG1-SD 4.38Å
308	D	90.3	Very high	82.2	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	119.7	166.8	177	46.6	0	0	0	109.9	S51 T97 A100 K101	S51-D308 VanDerWaalsContact CA-OD1 3.26Å; S51-D308 WeakPolarHBondContact CA-OD1 3.25Å; S51-D308 WeakPolarHBondContact CB-OD1 3.43Å; S51-D308 WeakPolarHBondContact CB-OD2 3.42Å; S51-D308 PolarHBondContact N-OD1 3.32Å; S51-D308 VanDerWaalsContact OG-CG 3.23Å; S51-D308 PolarHBondContact OG-OD1 3.46Å; S51-D308 PolarHBondContact OG-OD2 3.37Å; S51-D308 VanDerWaalsContact OG-OD2 3.06Å; T97-D308 PolarHBondContact OG1-OD2 2.88Å; A100-D308 WeakPolarHBondContact CA-O 3.48Å; K101-D308 HydrophobicContact CB-CB 4.38Å; K101-D308 PolarHBondContact N-O 3.34Å; K101-D308 IonicContact NZ-OD2 3.56Å; K101-D308 PolarHBondContact O-N 3.43Å
309	M	87.8	Confident	83.2	Confident	6 Å²	6	37.8 Å²	37.8	3%	0.03	20%	0.201	C	C	.	.			trans	-127	158.5	176.1	-60.4	-138.5	-64.3	0	0	111.9	K50 A100 V307 G311 V328 I332 L494	K50-M309 WeakPolarHBondContact CE-O 3.43Å; A100-M309 HydrophobicContact CB-CB 4.48Å; A100-M309 HydrophobicContact CB-CG 3.72Å; A100-M309 HydrophobicContact CB-SD 3.5Å; A100-M309 VanDerWaalsContact CB-SD 3.5Å; V307-M309 HydrophobicContact CG1-CG 3.66Å; V307-M309 HydrophobicContact CG1-SD 4.38Å; M309-G311 PolarHBondContact O-N 2.87Å; M309-V328 HydrophobicContact CE-CG1 3.79Å; M309-V328 HydrophobicContact SD-CG1 4.5Å; M309-I332 HydrophobicContact CE-CD1 3.74Å; M309-I332 HydrophobicContact CE-CG1 3.47Å; M309-I332 VanDerWaalsContact CE-CG1 3.47Å; M309-L494 HydrophobicContact CE-CD2 3.94Å; M309-L494 HydrophobicContact SD-CD2 3.57Å; M309-L494 VanDerWaalsContact SD-CD2 3.57Å
310	F	86.6	Confident	84.3	Confident	12 Å²	12	33 Å²	33	5%	0.053	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-54.7	133.5	165.8	43.9	-107.3	0	0	0	110.4	L121 V325 V328 N329	L121-F310 HydrophobicContact CB-CE1 3.81Å; L121-F310 HydrophobicContact CB-CZ 3.96Å; L121-F310 HydrophobicContact CD1-CE1 4.41Å; L121-F310 HydrophobicContact CD1-CZ 3.83Å; F310-V325 HydrophobicContact CD2-CB 4.12Å; F310-V325 HydrophobicContact CD2-CG1 3.75Å; F310-V325 HydrophobicContact CD2-CG2 3.83Å; F310-V325 HydrophobicContact CE2-CB 4.17Å; F310-V325 HydrophobicContact CE2-CG1 4.22Å; F310-V325 HydrophobicContact CE2-CG2 3.94Å; F310-V325 HydrophobicContact CG-CG2 4.19Å; F310-V325 HydrophobicContact CZ-CG2 4.37Å; F310-V328 HydrophobicContact CE2-CB 3.92Å; F310-V328 HydrophobicContact CE2-CG1 3.72Å; F310-V328 HydrophobicContact CE2-CG2 4.46Å; F310-V328 HydrophobicContact CZ-CB 4.31Å; F310-V328 HydrophobicContact CZ-CG1 4.04Å; F310-V328 HydrophobicContact CZ-CG2 4.4Å; F310-N329 PolarHBondContact O-ND2 3.22Å
311	G	86.6	Confident	85.3	Confident	3 Å²	3	33.2 Å²	33.2	3%	0.031	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-79.5	163	177.4	0	0	0	0	0	112.4	G44 M309 E313	G44-G311 WeakPolarHBondContact O-CA 3.5Å; M309-G311 PolarHBondContact O-N 2.87Å; G311-E313 PolarHBondContact O-N 3.48Å
312	F	88.5	Confident	86.2	Confident	4 Å²	4	24 Å²	24	2%	0.018	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-52.8	132	173.8	-168.8	-83.7	0	0	0	111.5	G44 I46 C314 N326 N329 H425 F426 F427 L430	G44-F312 PolarHBondContact O-N 3.43Å; I46-F312 PolarHBondContact N-O 3.02Å; I46-F312 VanDerWaalsContact N-O 3.12Å; F312-C314 HydrophobicContact CD1-CB 4.39Å; F312-C314 HydrophobicContact CE1-CB 4.27Å; F312-N326 HydrophobicContact CD2-CB 4.29Å; F312-N326 HydrophobicContact CE2-CB 3.87Å; F312-N326 HydrophobicContact CZ-CB 4.32Å; F312-N329 HydrophobicContact CB-CB 4.24Å; F312-N329 HydrophobicContact CD2-CB 3.84Å; F312-N329 PolarHBondContact N-OD1 2.98Å; F312-H425 HydrophobicContact CE2-CB 3.97Å; F312-H425 HydrophobicContact CZ-CB 3.63Å; F312-H425 AromaticContact CZ-CG 3.88Å; F312-F426 HydrophobicContact CD2-CD1 4.32Å; F312-F426 AromaticContact CD2-CE1 3.54Å; F312-F426 HydrophobicContact CD2-CE1 3.54Å; F312-F426 HydrophobicContact CD2-CZ 4.04Å; F312-F426 HydrophobicContact CE2-CD1 4.15Å; F312-F426 AromaticContact CE2-CE1 3.82Å; F312-F426 HydrophobicContact CE2-CE1 3.82Å; F312-F426 HydrophobicContact CG-CE1 4.4Å; F312-F426 HydrophobicContact CG-CZ 4.5Å; F312-F427 HydrophobicContact CB-CD2 4Å; F312-F427 HydrophobicContact CB-CE2 4.13Å; F312-F427 HydrophobicContact CD1-CB 3.79Å; F312-F427 AromaticContact CD1-CD2 3.59Å; F312-F427 HydrophobicContact CD1-CD2 3.59Å; F312-F427 HydrophobicContact CD1-CE2 4.4Å; F312-F427 AromaticContact CD1-CG 3.78Å; F312-F427 HydrophobicContact CD1-CG 3.78Å; F312-F427 HydrophobicContact CD2-CD2 4.16Å; F312-F427 HydrophobicContact CE1-CB 3.38Å; F312-F427 HydrophobicContact CE1-CD2 4.08Å; F312-F427 AromaticContact CE1-CG 3.92Å; F312-F427 HydrophobicContact CE1-CG 3.92Å; F312-F427 HydrophobicContact CE2-CB 4.43Å; F312-F427 HydrophobicContact CG-CB 4.48Å; F312-F427 AromaticContact CG-CD2 3.64Å; F312-F427 HydrophobicContact CG-CD2 3.64Å; F312-F427 HydrophobicContact CG-CE2 4.28Å; F312-F427 HydrophobicContact CG-CG 4.3Å; F312-F427 HydrophobicContact CZ-CB 3.75Å; F312-L430 HydrophobicContact CE1-CD1 3.67Å; F312-L430 HydrophobicContact CE1-CG 4.39Å; F312-L430 HydrophobicContact CZ-CD1 3.54Å; F312-L430 HydrophobicContact CZ-CG 4.32Å
313	E	87.6	Confident	86.9	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.121	C	C	.	.			trans	-107.8	121.9	-175.2	-81.1	175.5	-142.5	0	0	111.1	I46 R98 G311 Y315 Q322 V325 N326 L430	I46-E313 HydrophobicContact CB-CG 4.2Å; I46-E313 HydrophobicContact CD1-CG 3.87Å; I46-E313 HydrophobicContact CG2-CG 4.16Å; R98-E313 IonicContact CZ-OE1 2.76Å; R98-E313 IonicContact NH1-OE1 2.7Å; R98-E313 PolarHBondContact NH1-OE1 2.75Å; R98-E313 IonicContact NH2-OE1 3.27Å; R98-E313 PolarHBondContact NH2-OE1 3.01Å; R98-E313 IonicContact NH2-OE2 3.8Å; G311-E313 PolarHBondContact O-N 3.48Å; E313-Y315 HydrophobicContact CB-CD2 4.42Å; E313-Y315 HydrophobicContact CB-CE2 3.97Å; E313-Y315 HydrophobicContact CG-CE2 4.06Å; E313-Y315 WeakPolarHBondContact OE2-CE2 3.41Å; E313-Q322 HydrophobicContact CB-CG 3.93Å; E313-Q322 WeakPolarHBondContact OE2-CG 3.42Å; E313-Q322 PolarHBondContact OE2-NE2 3.41Å; E313-V325 HydrophobicContact CB-CG1 4.22Å; E313-V325 HydrophobicContact CG-CG1 4.07Å; E313-N326 PolarHBondContact N-OD1 2.62Å; E313-N326 PolarHBondContact O-ND2 2.92Å; E313-N326 PolarHBondContact O-OD1 2.89Å; E313-L430 WeakPolarHBondContact O-CD1 3.32Å
314	C	84.6	Confident	87.1	Confident	67 Å²	67	24.2 Å²	24.2	45%	0.453	13%	0.125	S	C	.	.			trans	-128.9	82.6	-173.9	179.8	0	0	0	0	109.9	F312 L430	F312-C314 HydrophobicContact CD1-CB 4.39Å; F312-C314 HydrophobicContact CE1-CB 4.27Å; C314-L430 HydrophobicContact CB-CD2 4.11Å; C314-L430 VanDerWaalsContact SG-CD2 3.59Å
315	Y	83.7	Confident	87.2	Confident	54 Å²	54	24.1 Å²	24.1	21%	0.212	13%	0.125	C	C	.	.			trans	-101.3	166.7	174.9	-54.8	-65.9	0	0	0	111.7	N91 A92 E313 T317 N318 Q322	N91-Y315 HydrophobicContact CB-CE1 4.39Å; A92-Y315 HydrophobicContact CB-CE1 4.07Å; E313-Y315 HydrophobicContact CB-CD2 4.42Å; E313-Y315 HydrophobicContact CB-CE2 3.97Å; E313-Y315 HydrophobicContact CG-CE2 4.06Å; E313-Y315 WeakPolarHBondContact OE2-CE2 3.41Å; Y315-T317 PolarHBondContact O-N 2.98Å; Y315-N318 WeakPolarHBondContact CB-OD1 3.35Å; Y315-N318 PolarHBondContact N-OD1 2.82Å; Y315-N318 PolarHBondContact O-ND2 3.33Å; Y315-Q322 HydrophobicContact CD2-CG 3.89Å; Y315-Q322 HydrophobicContact CE2-CG 4.09Å
316	K	82.1	Confident	87.4	Confident	186 Å²	186	23.6 Å²	23.6	81%	0.809	12%	0.122	S	C	*	.	S	Bend	trans	-60.2	-36	-179.8	-72.4	-175.4	176.7	-179.1	0	112.6	R431	K316-R431 VanDerWaalsContact O-CZ 3.24Å; K316-R431 PolarHBondContact O-NE 2.76Å; K316-R431 PolarHBondContact O-NH2 3.02Å
317	T	80.7	Confident	87.5	Confident	64 Å²	64	24 Å²	24	39%	0.393	12%	0.123	S	C	.	.	S	Bend	trans	-142	136.2	174.3	-55.6	0	0	0	0	105.7	Y315 N433	Y315-T317 PolarHBondContact O-N 2.98Å; T317-N433 HydrophobicContact CG2-CB 3.62Å
318	N	89.1	Confident	87.6	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-124	148.4	-170.9	-55.8	-86	0	0	0	108.8	Y315 Q322 R431 Y432 N433	Y315-N318 WeakPolarHBondContact CB-OD1 3.35Å; Y315-N318 PolarHBondContact N-OD1 2.82Å; Y315-N318 PolarHBondContact O-ND2 3.33Å; N318-Q322 HydrophobicContact CB-CB 3.72Å; N318-Q322 HydrophobicContact CB-CG 3.99Å; N318-R431 WeakPolarHBondContact CB-O 2.98Å; N318-R431 PolarHBondContact N-O 2.75Å; N318-R431 PolarHBondContact ND2-O 3.48Å; N318-Y432 HydrophobicContact CB-CD1 3.65Å; N318-Y432 HydrophobicContact CB-CE1 3.69Å; N318-Y432 CarbonylContact O-C 3.59Å; N318-Y432 WeakPolarHBondContact O-CA 3.17Å; N318-N433 PolarHBondContact O-N 3.33Å
319	T	87.8	Confident	87.6	Confident	30 Å²	30	24.2 Å²	24.2	18%	0.184	13%	0.125	C	C	.	.			trans	-112.4	-171.5	178.8	53.6	0	0	0	0	111.8	E321 Q322 L323 Y437	T319-E321 VanDerWaalsContact CB-OE2 3.28Å; T319-E321 WeakPolarHBondContact CB-OE2 3.41Å; T319-E321 PolarHBondContact O-N 3.21Å; T319-E321 PolarHBondContact OG1-OE2 2.89Å; T319-Q322 WeakPolarHBondContact O-CB 3.24Å; T319-Q322 PolarHBondContact O-N 3.1Å; T319-Q322 PolarHBondContact OG1-OE1 3.35Å; T319-L323 PolarHBondContact O-N 2.98Å; T319-Y437 VanDerWaalsContact C-OH 3.31Å; T319-Y437 PolarHBondContact O-OH 3.38Å
320	F	86.6	Confident	87.9	Confident	2 Å²	2	24 Å²	24	1%	0.009	12%	0.123	C	C	.	.	H	α-helix	trans	-52.8	-40.9	-174.3	177.4	-114.7	0	0	0	112.5	F125 Q322 L323 C324 L383 Y437 R440 N441 V483 T484	F125-F320 HydrophobicContact CE2-CE1 4.46Å; F320-Q322 PolarHBondContact O-N 2.59Å; F320-L323 WeakPolarHBondContact O-CB 3.48Å; F320-L323 PolarHBondContact O-N 3.05Å; F320-L323 VanDerWaalsContact O-N 3.1Å; F320-C324 PolarHBondContact O-N 2.97Å; F320-C324 PolarHBondContact O-SG 2.91Å; F320-C324 VanDerWaalsContact O-SG 3.39Å; F320-L383 HydrophobicContact CD2-CD2 4.15Å; F320-L383 HydrophobicContact CE2-CD2 3.74Å; F320-Y437 VanDerWaalsContact CA-CE1 3.46Å; F320-Y437 HydrophobicContact CB-CD1 3.74Å; F320-Y437 HydrophobicContact CB-CE1 3.65Å; F320-Y437 HydrophobicContact CB-CG 4.3Å; F320-Y437 HydrophobicContact CD2-CD2 4.22Å; F320-Y437 HydrophobicContact CD2-CE2 4.44Å; F320-Y437 HydrophobicContact CD2-CG 4.28Å; F320-Y437 PolarHBondContact N-OH 2.71Å; F320-R440 HydrophobicContact CD1-CB 3.7Å; F320-R440 HydrophobicContact CE1-CB 4.07Å; F320-R440 HydrophobicContact CG-CB 4.27Å; F320-N441 HydrophobicContact CE1-CB 4.49Å; F320-N441 HydrophobicContact CE2-CB 3.83Å; F320-N441 HydrophobicContact CZ-CB 3.67Å; F320-V483 HydrophobicContact CE1-CB 4.38Å; F320-V483 HydrophobicContact CE1-CG1 4.16Å; F320-V483 HydrophobicContact CZ-CB 4.2Å; F320-V483 HydrophobicContact CZ-CG1 4.23Å; F320-T484 HydrophobicContact CE2-CG2 3.92Å; F320-T484 HydrophobicContact CZ-CG2 4.13Å
321	E	82.1	Confident	88.2	Confident	23 Å²	23	25.3 Å²	25.3	11%	0.107	13%	0.129	C	C	.	.	H	α-helix	trans	-63.2	-42.5	-179.6	-54.6	75.2	-165.6	0	0	111.2	F125 T319 C324 V325 R440	F125-E321 HydrophobicContact CB-CG 4.22Å; T319-E321 VanDerWaalsContact CB-OE2 3.28Å; T319-E321 WeakPolarHBondContact CB-OE2 3.41Å; T319-E321 PolarHBondContact O-N 3.21Å; T319-E321 PolarHBondContact OG1-OE2 2.89Å; E321-C324 PolarHBondContact O-N 3.39Å; E321-V325 WeakPolarHBondContact O-CB 3.32Å; E321-V325 WeakPolarHBondContact O-CG2 3.32Å; E321-V325 PolarHBondContact O-N 3.01Å; E321-R440 WeakPolarHBondContact OE1-CD 3.47Å; E321-R440 IonicContact OE1-CZ 2.72Å; E321-R440 IonicContact OE1-NE 3.97Å; E321-R440 IonicContact OE1-NH1 3.71Å; E321-R440 PolarHBondContact OE1-NH1 3.06Å; E321-R440 IonicContact OE2-NH1 2.66Å; E321-R440 PolarHBondContact OE2-NH1 3.45Å
322	Q	87.5	Confident	88.5	Confident	12 Å²	12	25.3 Å²	25.3	6%	0.056	13%	0.129	C	C	.	.	H	α-helix	trans	-66.4	-37.7	172.4	-81.1	74.9	60.6	0	0	112	E313 Y315 N318 T319 F320 C324 V325 N326 Y432	E313-Q322 HydrophobicContact CB-CG 3.93Å; E313-Q322 WeakPolarHBondContact OE2-CG 3.42Å; E313-Q322 PolarHBondContact OE2-NE2 3.41Å; Y315-Q322 HydrophobicContact CD2-CG 3.89Å; Y315-Q322 HydrophobicContact CE2-CG 4.09Å; N318-Q322 HydrophobicContact CB-CB 3.72Å; N318-Q322 HydrophobicContact CB-CG 3.99Å; T319-Q322 WeakPolarHBondContact O-CB 3.24Å; T319-Q322 PolarHBondContact O-N 3.1Å; T319-Q322 PolarHBondContact OG1-OE1 3.35Å; F320-Q322 PolarHBondContact O-N 2.59Å; Q322-C324 VanDerWaalsContact C-N 3.31Å; Q322-C324 PolarHBondContact O-N 2.67Å; Q322-V325 PolarHBondContact O-N 3Å; Q322-N326 WeakPolarHBondContact O-CB 3.46Å; Q322-N326 VanDerWaalsContact O-CG 3.22Å; Q322-N326 PolarHBondContact O-N 3Å; Q322-N326 PolarHBondContact O-ND2 3.32Å; Q322-Y432 HydrophobicContact CB-CE1 4.21Å
323	L	92.2	Very high	88.6	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-62.9	-42	177.8	-177.8	62.1	0	0	0	110.6	T319 F320 Y327 L372 L380 F421 I423 Y432 Y437	T319-L323 PolarHBondContact O-N 2.98Å; F320-L323 WeakPolarHBondContact O-CB 3.48Å; F320-L323 PolarHBondContact O-N 3.05Å; F320-L323 VanDerWaalsContact O-N 3.1Å; L323-Y327 WeakPolarHBondContact O-CB 3.44Å; L323-Y327 PolarHBondContact O-N 3.45Å; L323-L372 HydrophobicContact CD1-CD2 3.99Å; L323-L380 HydrophobicContact CD2-CD2 4.35Å; L323-F421 HydrophobicContact CD2-CZ 4.26Å; L323-I423 HydrophobicContact CD1-CD1 4.11Å; L323-Y432 HydrophobicContact CB-CD1 3.96Å; L323-Y432 HydrophobicContact CB-CE1 3.74Å; L323-Y432 HydrophobicContact CD1-CD1 4.39Å; L323-Y432 HydrophobicContact CD1-CD2 4.44Å; L323-Y432 HydrophobicContact CD1-CE1 4.01Å; L323-Y432 HydrophobicContact CD1-CE2 4.05Å; L323-Y432 HydrophobicContact CG-CE1 4.48Å; L323-Y437 HydrophobicContact CD2-CE2 3.69Å
324	C	88.9	Confident	88.9	Confident	18 Å²	18	27.2 Å²	27.2	12%	0.122	14%	0.137	C	C	.	.	H	α-helix	trans	-61.6	-49.2	172.8	-67.6	0	0	0	0	112.5	F320 E321 Q322 N326 Y327 V328 L487	F320-C324 PolarHBondContact O-N 2.97Å; F320-C324 PolarHBondContact O-SG 2.91Å; F320-C324 VanDerWaalsContact O-SG 3.39Å; E321-C324 PolarHBondContact O-N 3.39Å; Q322-C324 VanDerWaalsContact C-N 3.31Å; Q322-C324 PolarHBondContact O-N 2.67Å; C324-N326 PolarHBondContact O-N 3.43Å; C324-Y327 PolarHBondContact O-N 3.44Å; C324-V328 WeakPolarHBondContact O-CG2 3.45Å; C324-V328 PolarHBondContact O-N 2.99Å; C324-V328 VanDerWaalsContact O-N 3.17Å; C324-L487 HydrophobicContact CB-CD2 3.56Å; C324-L487 VanDerWaalsContact SG-CD2 3.53Å
325	V	88.7	Confident	89.3	Confident	8 Å²	8	24.3 Å²	24.3	5%	0.048	12%	0.117	C	C	.	.	H	α-helix	trans	-59.9	-44.3	178.1	158.7	0	0	0	0	112.2	F310 E313 E321 Q322 V328 N329	F310-V325 HydrophobicContact CD2-CB 4.12Å; F310-V325 HydrophobicContact CD2-CG1 3.75Å; F310-V325 HydrophobicContact CD2-CG2 3.83Å; F310-V325 HydrophobicContact CE2-CB 4.17Å; F310-V325 HydrophobicContact CE2-CG1 4.22Å; F310-V325 HydrophobicContact CE2-CG2 3.94Å; F310-V325 HydrophobicContact CG-CG2 4.19Å; F310-V325 HydrophobicContact CZ-CG2 4.37Å; E313-V325 HydrophobicContact CB-CG1 4.22Å; E313-V325 HydrophobicContact CG-CG1 4.07Å; E321-V325 WeakPolarHBondContact O-CB 3.32Å; E321-V325 WeakPolarHBondContact O-CG2 3.32Å; E321-V325 PolarHBondContact O-N 3.01Å; Q322-V325 PolarHBondContact O-N 3Å; V325-V328 PolarHBondContact O-N 2.75Å; V325-N329 PolarHBondContact O-N 2.97Å; V325-N329 VanDerWaalsContact O-N 3.09Å; V325-N329 PolarHBondContact O-ND2 3.2Å
326	N	92.1	Very high	89.6	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-76.4	-35.6	-177.3	-69.3	-22.8	0	0	0	111.8	F312 E313 Q322 C324 V328 N329 E330 L430 Y432	F312-N326 HydrophobicContact CD2-CB 4.29Å; F312-N326 HydrophobicContact CE2-CB 3.87Å; F312-N326 HydrophobicContact CZ-CB 4.32Å; E313-N326 PolarHBondContact N-OD1 2.62Å; E313-N326 PolarHBondContact O-ND2 2.92Å; E313-N326 PolarHBondContact O-OD1 2.89Å; Q322-N326 WeakPolarHBondContact O-CB 3.46Å; Q322-N326 VanDerWaalsContact O-CG 3.22Å; Q322-N326 PolarHBondContact O-N 3Å; Q322-N326 PolarHBondContact O-ND2 3.32Å; C324-N326 PolarHBondContact O-N 3.43Å; N326-V328 VanDerWaalsContact C-N 3.3Å; N326-V328 PolarHBondContact O-N 2.96Å; N326-N329 PolarHBondContact O-N 3.36Å; N326-E330 VanDerWaalsContact O-CB 3.32Å; N326-E330 WeakPolarHBondContact O-CB 3.29Å; N326-E330 PolarHBondContact O-N 3.16Å; N326-L430 WeakPolarHBondContact ND2-CD1 3.49Å; N326-Y432 PolarHBondContact ND2-OH 2.9Å; N326-Y432 VanDerWaalsContact ND2-OH 3.09Å
327	Y	93.5	Very high	90.1	Very high	8 Å²	8	13.3 Å²	13.3	3%	0.031	7%	0.071	C	C	.	.	H	α-helix	trans	-56.5	-43.4	169.4	164.3	-115.2	0	0	0	112.2	L323 C324 E330 K331 L372 T373 L380 L487 Q488 I491	L323-Y327 WeakPolarHBondContact O-CB 3.44Å; L323-Y327 PolarHBondContact O-N 3.45Å; C324-Y327 PolarHBondContact O-N 3.44Å; Y327-E330 WeakPolarHBondContact O-CB 3.41Å; Y327-E330 PolarHBondContact O-N 3Å; Y327-K331 HydrophobicContact CD2-CG 4.32Å; Y327-K331 HydrophobicContact CE2-CG 3.7Å; Y327-K331 PolarHBondContact O-N 2.77Å; Y327-L372 HydrophobicContact CD2-CB 4.26Å; Y327-L372 HydrophobicContact CD2-CD1 3.9Å; Y327-T373 HydrophobicContact CD2-CG2 4.3Å; Y327-T373 HydrophobicContact CE2-CG2 3.36Å; Y327-L380 HydrophobicContact CD1-CD1 4.04Å; Y327-L380 HydrophobicContact CD2-CD1 4.13Å; Y327-L380 HydrophobicContact CE1-CD1 4.14Å; Y327-L380 HydrophobicContact CE2-CD1 4.23Å; Y327-L380 HydrophobicContact CG-CD1 4.03Å; Y327-L487 HydrophobicContact CD1-CD2 3.99Å; Y327-L487 HydrophobicContact CD1-CG 4.16Å; Y327-L487 HydrophobicContact CE1-CD2 4.49Å; Y327-L487 HydrophobicContact CE1-CG 4.25Å; Y327-Q488 HydrophobicContact CE1-CG 4.25Å; Y327-I491 HydrophobicContact CE1-CG2 4.11Å
328	V	91.8	Very high	90.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64.2	-46.1	176.4	166.4	0	0	0	0	111.3	L121 M309 F310 C324 V325 N326 E330 K331 I332 L487 I491	L121-V328 HydrophobicContact CD1-CB 4.44Å; L121-V328 HydrophobicContact CD1-CG1 3.8Å; L121-V328 HydrophobicContact CD1-CG2 3.78Å; M309-V328 HydrophobicContact CE-CG1 3.79Å; M309-V328 HydrophobicContact SD-CG1 4.5Å; F310-V328 HydrophobicContact CE2-CB 3.92Å; F310-V328 HydrophobicContact CE2-CG1 3.72Å; F310-V328 HydrophobicContact CE2-CG2 4.46Å; F310-V328 HydrophobicContact CZ-CB 4.31Å; F310-V328 HydrophobicContact CZ-CG1 4.04Å; F310-V328 HydrophobicContact CZ-CG2 4.4Å; C324-V328 WeakPolarHBondContact O-CG2 3.45Å; C324-V328 PolarHBondContact O-N 2.99Å; C324-V328 VanDerWaalsContact O-N 3.17Å; V325-V328 PolarHBondContact O-N 2.75Å; N326-V328 VanDerWaalsContact C-N 3.3Å; N326-V328 PolarHBondContact O-N 2.96Å; V328-E330 VanDerWaalsContact C-N 3.33Å; V328-E330 PolarHBondContact O-N 3.44Å; V328-K331 WeakPolarHBondContact O-CB 3.01Å; V328-K331 PolarHBondContact O-N 2.76Å; V328-K331 VanDerWaalsContact O-N 3.14Å; V328-I332 WeakPolarHBondContact O-CG1 3.36Å; V328-I332 PolarHBondContact O-N 2.67Å; V328-L487 HydrophobicContact CG2-CD1 3.58Å; V328-I491 HydrophobicContact CG1-CD1 4Å; V328-I491 HydrophobicContact CG2-CD1 4.5Å
329	N	91.4	Very high	90.6	Very high	11 Å²	11	16.9 Å²	16.9	6%	0.059	8%	0.082	C	C	.	.	H	α-helix	trans	-63.3	-38.4	176.1	-82.3	-103.6	0	0	0	111.7	F310 F312 V325 N326 K331 I332 Q333 F426	F310-N329 PolarHBondContact O-ND2 3.22Å; F312-N329 HydrophobicContact CB-CB 4.24Å; F312-N329 HydrophobicContact CD2-CB 3.84Å; F312-N329 PolarHBondContact N-OD1 2.98Å; V325-N329 PolarHBondContact O-N 2.97Å; V325-N329 VanDerWaalsContact O-N 3.09Å; V325-N329 PolarHBondContact O-ND2 3.2Å; N326-N329 PolarHBondContact O-N 3.36Å; N329-K331 VanDerWaalsContact C-N 3.31Å; N329-K331 PolarHBondContact O-N 2.99Å; N329-I332 PolarHBondContact O-N 3.24Å; N329-Q333 WeakPolarHBondContact O-CB 3.33Å; N329-Q333 PolarHBondContact O-N 2.84Å; N329-F426 HydrophobicContact CB-CE1 4.48Å
330	E	93.8	Very high	90.5	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.2	-39.3	173.2	-153.1	70.5	-119	0	0	111.1	N326 Y327 V328 Q333 Q334 N365 V368 I369 H425 F426	N326-E330 VanDerWaalsContact O-CB 3.32Å; N326-E330 WeakPolarHBondContact O-CB 3.29Å; N326-E330 PolarHBondContact O-N 3.16Å; Y327-E330 WeakPolarHBondContact O-CB 3.41Å; Y327-E330 PolarHBondContact O-N 3Å; V328-E330 VanDerWaalsContact C-N 3.33Å; V328-E330 PolarHBondContact O-N 3.44Å; E330-Q333 PolarHBondContact O-N 3.4Å; E330-Q334 PolarHBondContact O-N 3.24Å; E330-N365 WeakPolarHBondContact CG-ND2 3.44Å; E330-N365 PolarHBondContact O-ND2 3.42Å; E330-N365 VanDerWaalsContact OE1-CB 3.3Å; E330-N365 WeakPolarHBondContact OE1-CB 3.26Å; E330-N365 PolarHBondContact OE1-ND2 2.85Å; E330-V368 HydrophobicContact CG-CB 4.23Å; E330-V368 HydrophobicContact CG-CG1 3.95Å; E330-I369 HydrophobicContact CB-CD1 3.85Å; E330-I369 HydrophobicContact CG-CD1 3.66Å; E330-I369 HydrophobicContact CG-CG1 4.25Å; E330-H425 WeakPolarHBondContact OE2-CB 3.41Å; E330-H425 IonicContact OE2-CE1 3.17Å; E330-H425 IonicContact OE2-CG 3.7Å; E330-H425 IonicContact OE2-ND1 2.74Å; E330-H425 PolarHBondContact OE2-ND1 2.96Å; E330-F426 WeakPolarHBondContact OE1-CD1 3.43Å
331	K	93.3	Very high	90.7	Very high	41 Å²	41	17 Å²	17	18%	0.178	8%	0.083	C	C	.	.	H	α-helix	trans	-68.4	-38.9	176.2	-89.4	-71	174.8	-168.4	0	113.6	Y327 V328 N329 Q334 F335 I369 I491	Y327-K331 HydrophobicContact CD2-CG 4.32Å; Y327-K331 HydrophobicContact CE2-CG 3.7Å; Y327-K331 PolarHBondContact O-N 2.77Å; V328-K331 WeakPolarHBondContact O-CB 3.01Å; V328-K331 PolarHBondContact O-N 2.76Å; V328-K331 VanDerWaalsContact O-N 3.14Å; N329-K331 VanDerWaalsContact C-N 3.31Å; N329-K331 PolarHBondContact O-N 2.99Å; K331-Q334 PolarHBondContact O-N 3.06Å; K331-F335 PolarHBondContact O-N 2.66Å; K331-I369 HydrophobicContact CD-CD1 4.08Å; K331-I369 HydrophobicContact CG-CD1 3.96Å; K331-I369 VanDerWaalsContact NZ-CG2 3.34Å; K331-I491 HydrophobicContact CB-CD1 4.4Å; K331-I491 HydrophobicContact CB-CG1 3.91Å; K331-I491 HydrophobicContact CG-CG1 4.25Å
332	I	91.6	Very high	91.1	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.015	10%	0.097	C	C	.	.	H	α-helix	trans	-66.9	-41	172.5	-61.3	-65.4	0	0	0	110.5	Q41 E43 M309 V328 N329 Q334 F335 F336 I491 L494 I495 L498	Q41-I332 HydrophobicContact CG-CG2 4.14Å; E43-I332 HydrophobicContact CG-CG2 3.96Å; M309-I332 HydrophobicContact CE-CD1 3.74Å; M309-I332 HydrophobicContact CE-CG1 3.47Å; M309-I332 VanDerWaalsContact CE-CG1 3.47Å; V328-I332 WeakPolarHBondContact O-CG1 3.36Å; V328-I332 PolarHBondContact O-N 2.67Å; N329-I332 PolarHBondContact O-N 3.24Å; I332-Q334 VanDerWaalsContact C-N 3.32Å; I332-Q334 PolarHBondContact O-N 3.19Å; I332-F335 WeakPolarHBondContact O-CB 3.22Å; I332-F335 PolarHBondContact O-N 2.83Å; I332-F335 VanDerWaalsContact O-N 3.16Å; I332-F336 WeakPolarHBondContact O-CB 2.93Å; I332-F336 PolarHBondContact O-N 2.81Å; I332-I491 HydrophobicContact CD1-CD1 4.43Å; I332-L494 HydrophobicContact CD1-CD2 4.16Å; I332-I495 HydrophobicContact CD1-CD1 4.1Å; I332-L498 HydrophobicContact CD1-CD1 3.74Å
333	Q	91.6	Very high	91.1	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-63.8	-36.9	175	-177.2	62.9	12.8	0	0	111.9	N329 E330 F336 V337 F426	N329-Q333 WeakPolarHBondContact O-CB 3.33Å; N329-Q333 PolarHBondContact O-N 2.84Å; E330-Q333 PolarHBondContact O-N 3.4Å; Q333-F336 PolarHBondContact O-N 3.39Å; Q333-V337 WeakPolarHBondContact O-CG2 3.24Å; Q333-V337 PolarHBondContact O-N 3.26Å; Q333-F426 HydrophobicContact CB-CD1 4.31Å; Q333-F426 HydrophobicContact CB-CE1 4.16Å; Q333-F426 HydrophobicContact CB-CZ 4.32Å; Q333-F426 HydrophobicContact CG-CB 4.46Å; Q333-F426 HydrophobicContact CG-CD1 4.24Å; Q333-F426 HydrophobicContact CG-CD2 4.1Å; Q333-F426 HydrophobicContact CG-CE1 4.44Å; Q333-F426 HydrophobicContact CG-CE2 4.31Å; Q333-F426 HydrophobicContact CG-CG 4.04Å; Q333-F426 HydrophobicContact CG-CZ 4.47Å
334	Q	93.6	Very high	90.9	Very high	42 Å²	42	22.3 Å²	22.3	20%	0.196	12%	0.118	C	C	.	.	H	α-helix	trans	-62.3	-43.9	171.9	-166.6	-172.5	27.8	0	0	111.4	E330 K331 I332 R338 N365 D366 I369	E330-Q334 PolarHBondContact O-N 3.24Å; K331-Q334 PolarHBondContact O-N 3.06Å; I332-Q334 VanDerWaalsContact C-N 3.32Å; I332-Q334 PolarHBondContact O-N 3.19Å; Q334-R338 WeakPolarHBondContact O-CB 3.44Å; Q334-R338 PolarHBondContact O-N 3.2Å; Q334-R338 VanDerWaalsContact O-N 3.1Å; Q334-N365 WeakPolarHBondContact CA-OD1 3.5Å; Q334-N365 VanDerWaalsContact CB-OD1 3.28Å; Q334-N365 WeakPolarHBondContact CB-OD1 3.24Å; Q334-D366 PolarHBondContact NE2-OD1 3.47Å; Q334-I369 HydrophobicContact CB-CG1 4.26Å; Q334-I369 HydrophobicContact CG-CG1 4.36Å
335	F	92.5	Very high	90.9	Very high	6 Å²	6	22.9 Å²	22.9	3%	0.026	12%	0.119	C	C	.	.	H	α-helix	trans	-60.7	-48.6	175.7	177.3	-87.8	0	0	0	111.6	K331 I332 R338 V339 I495 L498 D499 T503 F505	K331-F335 PolarHBondContact O-N 2.66Å; I332-F335 WeakPolarHBondContact O-CB 3.22Å; I332-F335 PolarHBondContact O-N 2.83Å; I332-F335 VanDerWaalsContact O-N 3.16Å; F335-R338 VanDerWaalsContact CE2-NH2 3.3Å; F335-R338 PolarHBondContact O-N 2.9Å; F335-V339 HydrophobicContact CD1-CG2 4.32Å; F335-V339 HydrophobicContact CE1-CB 4.5Å; F335-V339 HydrophobicContact CE1-CG2 3.82Å; F335-V339 HydrophobicContact CE2-CG2 4.04Å; F335-V339 HydrophobicContact CZ-CG2 3.63Å; F335-V339 WeakPolarHBondContact O-CG2 3.35Å; F335-V339 PolarHBondContact O-N 2.95Å; F335-I495 HydrophobicContact CB-CD1 3.9Å; F335-I495 HydrophobicContact CD2-CD1 4.14Å; F335-I495 HydrophobicContact CD2-CG2 4.05Å; F335-I495 HydrophobicContact CG-CD1 4.19Å; F335-L498 HydrophobicContact CD1-CB 4.32Å; F335-L498 HydrophobicContact CD1-CD1 3.92Å; F335-L498 HydrophobicContact CD2-CB 4.14Å; F335-L498 HydrophobicContact CD2-CD1 4.33Å; F335-L498 HydrophobicContact CE1-CB 3.73Å; F335-L498 HydrophobicContact CE1-CD1 4.1Å; F335-L498 HydrophobicContact CE1-CG 4.46Å; F335-L498 HydrophobicContact CE2-CB 3.53Å; F335-L498 HydrophobicContact CG-CD1 4.08Å; F335-L498 HydrophobicContact CZ-CB 3.32Å; F335-L498 HydrophobicContact CZ-CD1 4.42Å; F335-L498 HydrophobicContact CZ-CG 4.46Å; F335-D499 HydrophobicContact CE2-CB 4.45Å; F335-T503 HydrophobicContact CE1-CG2 4.16Å; F335-F505 HydrophobicContact CD1-CE1 4.12Å; F335-F505 AromaticContact CD1-CZ 3.75Å; F335-F505 HydrophobicContact CD1-CZ 3.75Å; F335-F505 HydrophobicContact CE1-CE1 4.34Å; F335-F505 AromaticContact CE1-CZ 3.69Å; F335-F505 HydrophobicContact CE1-CZ 3.69Å
336	F	91.4	Very high	90.9	Very high	3 Å²	3	27.3 Å²	27.3	1%	0.013	14%	0.142	C	C	.	.	H	α-helix	trans	-57.2	-50.3	176	163	-102.8	0	0	0	112.4	I332 Q333 R338 V339 S340 F341 F505 R507 I537	I332-F336 WeakPolarHBondContact O-CB 2.93Å; I332-F336 PolarHBondContact O-N 2.81Å; Q333-F336 PolarHBondContact O-N 3.39Å; F336-R338 VanDerWaalsContact C-N 3.28Å; F336-R338 PolarHBondContact O-N 3.11Å; F336-V339 PolarHBondContact O-N 3.25Å; F336-S340 WeakPolarHBondContact CD2-OG 3.26Å; F336-S340 VanDerWaalsContact CE2-OG 3.3Å; F336-S340 WeakPolarHBondContact CE2-OG 3.47Å; F336-S340 WeakPolarHBondContact O-CB 3.45Å; F336-S340 PolarHBondContact O-N 3.21Å; F336-F341 AromaticContact CE1-CE2 3.66Å; F336-F341 HydrophobicContact CE1-CE2 3.66Å; F336-F341 HydrophobicContact CE1-CZ 4.39Å; F336-F341 AromaticContact CZ-CE2 3.74Å; F336-F341 HydrophobicContact CZ-CE2 3.74Å; F336-F341 HydrophobicContact CZ-CZ 4.12Å; F336-F505 HydrophobicContact CB-CD1 4.23Å; F336-F505 HydrophobicContact CB-CE1 3.68Å; F336-F505 HydrophobicContact CB-CZ 3.93Å; F336-F505 HydrophobicContact CD2-CB 4.38Å; F336-F505 AromaticContact CD2-CD1 3.82Å; F336-F505 HydrophobicContact CD2-CD1 3.82Å; F336-F505 AromaticContact CD2-CD2 3.81Å; F336-F505 HydrophobicContact CD2-CD2 3.81Å; F336-F505 AromaticContact CD2-CE1 3.94Å; F336-F505 HydrophobicContact CD2-CE1 3.94Å; F336-F505 AromaticContact CD2-CE2 3.94Å; F336-F505 HydrophobicContact CD2-CE2 3.94Å; F336-F505 AromaticContact CD2-CG 3.74Å; F336-F505 HydrophobicContact CD2-CG 3.74Å; F336-F505 AromaticContact CD2-CZ 3.98Å; F336-F505 HydrophobicContact CD2-CZ 3.98Å; F336-F505 HydrophobicContact CE2-CD2 4.36Å; F336-F505 HydrophobicContact CE2-CG 4.33Å; F336-F505 HydrophobicContact CG-CD1 4.44Å; F336-F505 HydrophobicContact CG-CE1 4.29Å; F336-F505 HydrophobicContact CG-CZ 4.47Å; F336-R507 VanDerWaalsContact CD2-NH2 3.32Å; F336-R507 VanDerWaalsContact CE1-NH2 3.25Å; F336-I537 HydrophobicContact CE2-CD1 4.19Å; F336-I537 HydrophobicContact CZ-CD1 3.72Å; F336-I537 HydrophobicContact CZ-CG1 3.84Å
337	V	91.8	Very high	90.9	Very high	7 Å²	7	28.5 Å²	28.5	4%	0.042	15%	0.148	C	C	.	.	H	α-helix	trans	-62.1	-39.9	-178.4	171.9	0	0	0	0	110.9	Q333 F341 C342 L363 A364	Q333-V337 WeakPolarHBondContact O-CG2 3.24Å; Q333-V337 PolarHBondContact O-N 3.26Å; V337-F341 HydrophobicContact CG1-CD2 4.32Å; V337-F341 PolarHBondContact O-N 3.16Å; V337-C342 PolarHBondContact O-N 3.15Å; V337-L363 HydrophobicContact CG2-CB 3.7Å; V337-A364 HydrophobicContact CG1-CB 4.49Å
338	R	91.9	Very high	90.8	Very high	97 Å²	97	28.3 Å²	28.3	37%	0.366	15%	0.147	S	C	.	.	I	π-helix	trans	-59.7	-54.5	173.4	179	176.8	57.5	118.5	-2.2	111.6	Q334 F335 F336 C342 T343 D499	Q334-R338 WeakPolarHBondContact O-CB 3.44Å; Q334-R338 PolarHBondContact O-N 3.2Å; Q334-R338 VanDerWaalsContact O-N 3.1Å; F335-R338 VanDerWaalsContact CE2-NH2 3.3Å; F335-R338 PolarHBondContact O-N 2.9Å; F336-R338 VanDerWaalsContact C-N 3.28Å; F336-R338 PolarHBondContact O-N 3.11Å; R338-C342 CarbonylContact O-C 3.51Å; R338-C342 WeakPolarHBondContact O-CA 3.45Å; R338-C342 WeakPolarHBondContact O-CB 3.46Å; R338-C342 PolarHBondContact O-N 3.39Å; R338-T343 PolarHBondContact O-N 3Å; R338-T343 PolarHBondContact O-OG1 2.92Å; R338-D499 IonicContact CZ-OD1 3.42Å; R338-D499 IonicContact CZ-OD2 3.56Å; R338-D499 IonicContact NH1-OD1 3.63Å; R338-D499 PolarHBondContact NH1-OD1 3.4Å; R338-D499 IonicContact NH1-OD2 3.81Å; R338-D499 IonicContact NH2-OD1 3.54Å; R338-D499 PolarHBondContact NH2-OD1 3.18Å; R338-D499 IonicContact NH2-OD2 2.76Å; R338-D499 PolarHBondContact NH2-OD2 3.34Å
339	V	88.2	Confident	90.7	Very high	41 Å²	41	32.9 Å²	32.9	25%	0.248	17%	0.171	C	C	.	.	I	π-helix	trans	-71	-48	-173.1	174.3	0	0	0	0	112.1	F335 F336 F505	F335-V339 HydrophobicContact CD1-CG2 4.32Å; F335-V339 HydrophobicContact CE1-CB 4.5Å; F335-V339 HydrophobicContact CE1-CG2 3.82Å; F335-V339 HydrophobicContact CE2-CG2 4.04Å; F335-V339 HydrophobicContact CZ-CG2 3.63Å; F335-V339 WeakPolarHBondContact O-CG2 3.35Å; F335-V339 PolarHBondContact O-N 2.95Å; F336-V339 PolarHBondContact O-N 3.25Å; V339-F505 HydrophobicContact CG1-CE2 4.41Å
340	S	87	Confident	90.8	Very high	32 Å²	32	38.9 Å²	38.9	22%	0.224	20%	0.199	C	C	.	.	I	π-helix	trans	-82.3	-15.6	-173	-60.6	0	0	0	0	115.2	F336	F336-S340 WeakPolarHBondContact CD2-OG 3.26Å; F336-S340 VanDerWaalsContact CE2-OG 3.3Å; F336-S340 WeakPolarHBondContact CE2-OG 3.47Å; F336-S340 WeakPolarHBondContact O-CB 3.45Å; F336-S340 PolarHBondContact O-N 3.21Å
341	F	89.9	Confident	90.8	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.009	20%	0.203	C	C	.	.	I	π-helix	trans	-128.9	-48.9	177.6	-53.8	-71.1	0	0	0	113.5	F336 V337 Q345 V359 L363 E536 I537 M540	F336-F341 AromaticContact CE1-CE2 3.66Å; F336-F341 HydrophobicContact CE1-CE2 3.66Å; F336-F341 HydrophobicContact CE1-CZ 4.39Å; F336-F341 AromaticContact CZ-CE2 3.74Å; F336-F341 HydrophobicContact CZ-CE2 3.74Å; F336-F341 HydrophobicContact CZ-CZ 4.12Å; V337-F341 HydrophobicContact CG1-CD2 4.32Å; V337-F341 PolarHBondContact O-N 3.16Å; F341-Q345 WeakPolarHBondContact O-CB 3.45Å; F341-Q345 WeakPolarHBondContact O-CG 3.42Å; F341-Q345 PolarHBondContact O-N 3.35Å; F341-Q345 VanDerWaalsContact O-N 3.14Å; F341-Q345 PolarHBondContact O-NE2 3.06Å; F341-V359 HydrophobicContact CD1-CG1 3.94Å; F341-V359 HydrophobicContact CE1-CG1 3.94Å; F341-L363 HydrophobicContact CE2-CD1 3.65Å; F341-L363 HydrophobicContact CZ-CD1 4.02Å; F341-E536 HydrophobicContact CE1-CB 4Å; F341-E536 HydrophobicContact CZ-CB 3.8Å; F341-I537 HydrophobicContact CZ-CG1 3.96Å; F341-M540 HydrophobicContact CD1-CB 4.12Å; F341-M540 HydrophobicContact CD1-CG 4.12Å; F341-M540 HydrophobicContact CD1-SD 4.41Å; F341-M540 HydrophobicContact CE1-CB 3.9Å; F341-M540 HydrophobicContact CE1-CG 4.35Å
342	C	90.2	Very high	90.7	Very high	57 Å²	57	44.5 Å²	44.5	39%	0.385	23%	0.226	S	C	.	.	I	π-helix	trans	-70.9	-49.1	-173.8	-55.2	0	0	0	0	112	V337 R338 Q345 L346	V337-C342 PolarHBondContact O-N 3.15Å; R338-C342 CarbonylContact O-C 3.51Å; R338-C342 WeakPolarHBondContact O-CA 3.45Å; R338-C342 WeakPolarHBondContact O-CB 3.46Å; R338-C342 PolarHBondContact O-N 3.39Å; C342-Q345 PolarHBondContact O-N 2.98Å; C342-L346 WeakPolarHBondContact O-CB 3.24Å; C342-L346 VanDerWaalsContact O-CG 3.24Å; C342-L346 WeakPolarHBondContact O-CG 3.48Å; C342-L346 PolarHBondContact O-N 3.45Å
343	T	88.4	Confident	90.7	Very high	60 Å²	60	44.9 Å²	44.9	37%	0.368	23%	0.228	S	C	.	.	I	π-helix	trans	-61.6	-45.9	180	-57.5	0	0	0	0	111.6	R338 Q345 L346 E347	R338-T343 PolarHBondContact O-N 3Å; R338-T343 PolarHBondContact O-OG1 2.92Å; T343-Q345 PolarHBondContact O-N 3.13Å; T343-L346 PolarHBondContact O-N 2.98Å; T343-E347 PolarHBondContact O-N 3.06Å
344	E	87	Confident	90.3	Very high	32 Å²	32	49 Å²	49	15%	0.15	26%	0.263	C	S	.	.	H	α-helix	trans	-59.9	-45.4	176.5	-66.8	-65.5	118.8	0	0	112.5	E347 Y348 M540 R548	E344-E347 PolarHBondContact O-N 3.24Å; E344-Y348 WeakPolarHBondContact O-CD1 3.45Å; E344-Y348 VanDerWaalsContact O-CG 3.29Å; E344-Y348 PolarHBondContact O-N 3.04Å; E344-M540 HydrophobicContact CB-CE 3.39Å; E344-M540 HydrophobicContact CG-CE 4.13Å; E344-R548 IonicContact OE1-CZ 3.46Å; E344-R548 IonicContact OE1-NH1 2.71Å; E344-R548 PolarHBondContact OE1-NH1 2.81Å; E344-R548 IonicContact OE1-NH2 2.71Å; E344-R548 PolarHBondContact OE1-NH2 2.72Å; E344-R548 IonicContact OE2-CZ 2.89Å; E344-R548 IonicContact OE2-NH1 2.66Å; E344-R548 PolarHBondContact OE2-NH1 2.74Å; E344-R548 IonicContact OE2-NH2 3.84Å
345	Q	89	Confident	89.8	Confident	30 Å²	30	49 Å²	49	14%	0.14	26%	0.261	C	S	.	.	H	α-helix	trans	-71.7	-32.1	-179.9	-69	176.1	99.7	0	0	112.2	F341 C342 T343 N349 W355 Q357 V359 M540	F341-Q345 WeakPolarHBondContact O-CB 3.45Å; F341-Q345 WeakPolarHBondContact O-CG 3.42Å; F341-Q345 PolarHBondContact O-N 3.35Å; F341-Q345 VanDerWaalsContact O-N 3.14Å; F341-Q345 PolarHBondContact O-NE2 3.06Å; C342-Q345 PolarHBondContact O-N 2.98Å; T343-Q345 PolarHBondContact O-N 3.13Å; Q345-N349 VanDerWaalsContact O-CG 3.24Å; Q345-N349 PolarHBondContact O-N 2.94Å; Q345-N349 VanDerWaalsContact O-N 3.15Å; Q345-N349 PolarHBondContact O-ND2 2.94Å; Q345-W355 HydrophobicContact CG-CZ2 4.07Å; Q345-Q357 PolarHBondContact OE1-O 3.14Å; Q345-V359 PolarHBondContact NE2-O 3.49Å; Q345-V359 VanDerWaalsContact NE2-O 3.11Å; Q345-M540 HydrophobicContact CG-CE 4.09Å
346	L	89.7	Confident	89	Confident	101 Å²	101	52.2 Å²	52.2	53%	0.529	30%	0.295	S	S	.	.	H	α-helix	trans	-63.9	-46.1	170	-74.4	167.4	0	0	0	111	C342 T343 Y348 N349 E350	C342-L346 WeakPolarHBondContact O-CB 3.24Å; C342-L346 VanDerWaalsContact O-CG 3.24Å; C342-L346 WeakPolarHBondContact O-CG 3.48Å; C342-L346 PolarHBondContact O-N 3.45Å; T343-L346 PolarHBondContact O-N 2.98Å; L346-Y348 VanDerWaalsContact C-N 3.32Å; L346-Y348 PolarHBondContact O-N 3.1Å; L346-N349 WeakPolarHBondContact O-CB 3.47Å; L346-N349 PolarHBondContact O-N 3.03Å; L346-N349 VanDerWaalsContact O-N 3.09Å; L346-E350 WeakPolarHBondContact O-CG 3.21Å; L346-E350 PolarHBondContact O-N 3.42Å
347	E	90.7	Very high	88.4	Confident	25 Å²	25	56.5 Å²	56.5	12%	0.117	32%	0.316	C	S	.	.	H	α-helix	trans	-64	-36.3	178.5	-171.6	169.7	170.3	0	0	112.3	T343 E344 N349 E350 E351 R548 K598 F600	T343-E347 PolarHBondContact O-N 3.06Å; E344-E347 PolarHBondContact O-N 3.24Å; E347-N349 VanDerWaalsContact C-N 3.35Å; E347-N349 PolarHBondContact O-N 2.83Å; E347-E350 PolarHBondContact O-N 3.02Å; E347-E351 WeakPolarHBondContact O-CB 3.42Å; E347-E351 PolarHBondContact O-N 3.08Å; E347-R548 WeakPolarHBondContact OE1-CD 3.24Å; E347-R548 IonicContact OE1-CZ 3.37Å; E347-R548 IonicContact OE1-NE 3.29Å; E347-R548 PolarHBondContact OE1-NE 2.9Å; E347-R548 IonicContact OE2-CZ 2.75Å; E347-R548 IonicContact OE2-NE 2.67Å; E347-R548 PolarHBondContact OE2-NE 3.4Å; E347-R548 IonicContact OE2-NH2 3.43Å; E347-R548 PolarHBondContact OE2-NH2 3.04Å; E347-K598 WeakPolarHBondContact OE1-CD 3.42Å; E347-K598 IonicContact OE1-NZ 3.55Å; E347-K598 PolarHBondContact OE1-NZ 3.23Å; E347-F600 HydrophobicContact CG-CZ 4.23Å
348	Y	91.7	Very high	87.8	Confident	3 Å²	3	59.7 Å²	59.7	1%	0.012	34%	0.338	C	S	.	.	H	α-helix	trans	-62	-40.3	171.4	-65.7	-7.8	0	0	0	112.3	E344 L346 E352 I353 W355 M540 F545 F600	E344-Y348 WeakPolarHBondContact O-CD1 3.45Å; E344-Y348 VanDerWaalsContact O-CG 3.29Å; E344-Y348 PolarHBondContact O-N 3.04Å; L346-Y348 VanDerWaalsContact C-N 3.32Å; L346-Y348 PolarHBondContact O-N 3.1Å; Y348-E352 PolarHBondContact O-N 3.1Å; Y348-I353 HydrophobicContact CG-CB 4.49Å; Y348-I353 PolarHBondContact O-N 3.43Å; Y348-W355 HydrophobicContact CD2-CB 4.27Å; Y348-W355 AromaticContact CD2-CD2 3.78Å; Y348-W355 HydrophobicContact CD2-CD2 3.78Å; Y348-W355 AromaticContact CD2-CE3 3.88Å; Y348-W355 HydrophobicContact CD2-CE3 3.88Å; Y348-W355 AromaticContact CD2-CG 3.98Å; Y348-W355 HydrophobicContact CD2-CG 3.98Å; Y348-W355 HydrophobicContact CD2-CZ3 4.49Å; Y348-W355 HydrophobicContact CE2-CD2 4.23Å; Y348-W355 AromaticContact CE2-CE3 3.97Å; Y348-W355 HydrophobicContact CE2-CE3 3.97Å; Y348-W355 HydrophobicContact CE2-CH2 4.49Å; Y348-W355 HydrophobicContact CE2-CZ3 4.13Å; Y348-M540 HydrophobicContact CE2-CE 3.75Å; Y348-F545 PolarHBondContact OH-N 3.2Å; Y348-F545 PolarHBondContact OH-O 3.29Å; Y348-F600 HydrophobicContact CD1-CD1 4.09Å; Y348-F600 AromaticContact CD1-CE1 3.73Å; Y348-F600 HydrophobicContact CD1-CE1 3.73Å; Y348-F600 HydrophobicContact CD1-CZ 4.43Å; Y348-F600 AromaticContact CE1-CD1 3.81Å; Y348-F600 HydrophobicContact CE1-CD1 3.81Å; Y348-F600 AromaticContact CE1-CE1 3.72Å; Y348-F600 HydrophobicContact CE1-CE1 3.72Å
349	N	90.8	Very high	87.5	Confident	97 Å²	97	55.2 Å²	55.2	52%	0.519	32%	0.322	S	S	.	.	H	α-helix	trans	-68.7	-43.2	176.7	-67.8	-33.5	0	0	0	111.9	Q345 L346 E347 E351 E352	Q345-N349 VanDerWaalsContact O-CG 3.24Å; Q345-N349 PolarHBondContact O-N 2.94Å; Q345-N349 VanDerWaalsContact O-N 3.15Å; Q345-N349 PolarHBondContact O-ND2 2.94Å; L346-N349 WeakPolarHBondContact O-CB 3.47Å; L346-N349 PolarHBondContact O-N 3.03Å; L346-N349 VanDerWaalsContact O-N 3.09Å; E347-N349 VanDerWaalsContact C-N 3.35Å; E347-N349 PolarHBondContact O-N 2.83Å; N349-E351 PolarHBondContact O-N 3.16Å; N349-E352 PolarHBondContact O-N 3.34Å
350	E	93.2	Very high	87.2	Confident	136 Å²	136	53.4 Å²	53.4	64%	0.636	31%	0.311	S	S	*	.	H	α-helix	trans	-61.8	-43.3	178.1	-73.9	-179.8	178.7	0	0	112	L346 E347 E352 K596	L346-E350 WeakPolarHBondContact O-CG 3.21Å; L346-E350 PolarHBondContact O-N 3.42Å; E347-E350 PolarHBondContact O-N 3.02Å; E350-E352 VanDerWaalsContact C-N 3.28Å; E350-E352 PolarHBondContact O-N 2.93Å; E350-K596 WeakPolarHBondContact O-CD 3.3Å; E350-K596 WeakPolarHBondContact O-CE 3.39Å; E350-K596 PolarHBondContact O-NZ 3.41Å
351	E	93.4	Very high	87.1	Confident	16 Å²	16	58.8 Å²	58.8	8%	0.075	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	3.3	177.9	-78.5	-81.9	134.5	0	0	114.2	E347 N349 I353 G595 K596 T597 K598 F600	E347-E351 WeakPolarHBondContact O-CB 3.42Å; E347-E351 PolarHBondContact O-N 3.08Å; N349-E351 PolarHBondContact O-N 3.16Å; E351-I353 VanDerWaalsContact C-N 3.27Å; E351-I353 HydrophobicContact CB-CD1 4.4Å; E351-I353 HydrophobicContact CB-CG1 4.04Å; E351-I353 PolarHBondContact O-N 2.72Å; E351-G595 CarbonylContact O-C 3.44Å; E351-G595 WeakPolarHBondContact O-CA 3.29Å; E351-G595 WeakPolarHBondContact OE2-CA 3.47Å; E351-K596 PolarHBondContact O-N 3.38Å; E351-K596 PolarHBondContact OE2-N 2.97Å; E351-T597 WeakPolarHBondContact OE1-CB 3.48Å; E351-T597 PolarHBondContact OE1-N 2.83Å; E351-T597 PolarHBondContact OE1-OG1 2.74Å; E351-T597 PolarHBondContact OE2-N 3.24Å; E351-K598 PolarHBondContact OE2-N 3.35Å; E351-F600 HydrophobicContact CB-CE2 3.74Å; E351-F600 HydrophobicContact CB-CZ 4.05Å; E351-F600 HydrophobicContact CG-CE2 3.79Å; E351-F600 HydrophobicContact CG-CZ 3.94Å
352	E	92.1	Very high	86.8	Confident	144 Å²	144	63.4 Å²	63.4	67%	0.673	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	34.5	-178.1	-80.9	163.1	-156.4	0	0	114.3	Y348 N349 E350 K596	Y348-E352 PolarHBondContact O-N 3.1Å; N349-E352 PolarHBondContact O-N 3.34Å; E350-E352 VanDerWaalsContact C-N 3.28Å; E350-E352 PolarHBondContact O-N 2.93Å; E352-K596 WeakPolarHBondContact OE1-CE 3.38Å; E352-K596 IonicContact OE1-NZ 2.75Å; E352-K596 PolarHBondContact OE1-NZ 3.35Å; E352-K596 WeakPolarHBondContact OE2-CE 3.48Å; E352-K596 IonicContact OE2-NZ 3.34Å
353	I	90	Very high	86.7	Confident	10 Å²	10	61.7 Å²	61.7	5%	0.051	35%	0.351	C	S	.	.			trans	-73.9	128.6	170.7	-52.1	-58	0	0	0	109	Y348 E351 W355 F545 R593 F600	Y348-I353 HydrophobicContact CG-CB 4.49Å; Y348-I353 PolarHBondContact O-N 3.43Å; E351-I353 VanDerWaalsContact C-N 3.27Å; E351-I353 HydrophobicContact CB-CD1 4.4Å; E351-I353 HydrophobicContact CB-CG1 4.04Å; E351-I353 PolarHBondContact O-N 2.72Å; I353-W355 VanDerWaalsContact C-N 3.34Å; I353-W355 PolarHBondContact O-N 3Å; I353-F545 HydrophobicContact CG2-CD2 4.25Å; I353-F545 HydrophobicContact CG2-CE2 4.32Å; I353-R593 HydrophobicContact CD1-CB 3.99Å; I353-R593 HydrophobicContact CG2-CB 4.14Å; I353-R593 HydrophobicContact CG2-CG 4.14Å; I353-F600 HydrophobicContact CD1-CD2 3.48Å; I353-F600 VanDerWaalsContact CD1-CD2 3.48Å; I353-F600 HydrophobicContact CD1-CE2 3.82Å; I353-F600 HydrophobicContact CD1-CG 4.16Å; I353-F600 HydrophobicContact CG1-CD2 3.82Å; I353-F600 HydrophobicContact CG1-CE2 3.83Å; I353-F600 HydrophobicContact CG1-CG 4.27Å; I353-F600 HydrophobicContact CG1-CZ 4.3Å
354	A	83.9	Confident	86.7	Confident	89 Å²	89	61.3 Å²	61.3	74%	0.736	35%	0.354	S	S	*	.			trans	-65.9	87.7	179.9	0	0	0	0	0	112.1
355	W	83	Confident	87	Confident	41 Å²	41	60.1 Å²	60.1	16%	0.155	35%	0.349	C	S	.	.			trans	-112	119.4	-179.2	-178.3	-107.3	0	0	0	110.7	Q345 Y348 I353 Q357 V359 M540 F543	Q345-W355 HydrophobicContact CG-CZ2 4.07Å; Y348-W355 HydrophobicContact CD2-CB 4.27Å; Y348-W355 AromaticContact CD2-CD2 3.78Å; Y348-W355 HydrophobicContact CD2-CD2 3.78Å; Y348-W355 AromaticContact CD2-CE3 3.88Å; Y348-W355 HydrophobicContact CD2-CE3 3.88Å; Y348-W355 AromaticContact CD2-CG 3.98Å; Y348-W355 HydrophobicContact CD2-CG 3.98Å; Y348-W355 HydrophobicContact CD2-CZ3 4.49Å; Y348-W355 HydrophobicContact CE2-CD2 4.23Å; Y348-W355 AromaticContact CE2-CE3 3.97Å; Y348-W355 HydrophobicContact CE2-CE3 3.97Å; Y348-W355 HydrophobicContact CE2-CH2 4.49Å; Y348-W355 HydrophobicContact CE2-CZ3 4.13Å; I353-W355 VanDerWaalsContact C-N 3.34Å; I353-W355 PolarHBondContact O-N 3Å; W355-Q357 HydrophobicContact CH2-CB 4.06Å; W355-Q357 HydrophobicContact CH2-CG 4.38Å; W355-Q357 HydrophobicContact CZ2-CB 3.76Å; W355-Q357 HydrophobicContact CZ3-CG 4.47Å; W355-Q357 PolarHBondContact NE1-O 3.26Å; W355-V359 HydrophobicContact CH2-CG2 4.14Å; W355-V359 HydrophobicContact CZ2-CB 4.41Å; W355-V359 HydrophobicContact CZ2-CG2 3.78Å; W355-M540 HydrophobicContact CH2-CE 4.49Å; W355-M540 HydrophobicContact CH2-SD 3.77Å; W355-M540 HydrophobicContact CZ2-CE 4.45Å; W355-M540 HydrophobicContact CZ2-SD 3.81Å; W355-F543 HydrophobicContact CH2-CB 4.29Å; W355-F543 HydrophobicContact CZ3-CB 4.12Å
356	G	76.3	Confident	87.2	Confident	73 Å²	73	62.1 Å²	62.1	75%	0.753	36%	0.36	S	S	*	.			trans	-128.2	27.7	-174.7	0	0	0	0	0	113.8
357	Q	78	Confident	87.4	Confident	94 Å²	94	60.1 Å²	60.1	44%	0.439	36%	0.358	S	S	.	.			trans	-118.7	137.4	-178	-59.8	-66.2	-41	0	0	109.6	Q345 W355 V359 F543	Q345-Q357 PolarHBondContact OE1-O 3.14Å; W355-Q357 HydrophobicContact CH2-CB 4.06Å; W355-Q357 HydrophobicContact CH2-CG 4.38Å; W355-Q357 HydrophobicContact CZ2-CB 3.76Å; W355-Q357 HydrophobicContact CZ3-CG 4.47Å; W355-Q357 PolarHBondContact NE1-O 3.26Å; Q357-V359 HydrophobicContact CB-CG2 3.82Å; Q357-F543 HydrophobicContact CG-CB 4.48Å
358	S	79.8	Confident	87.6	Confident	74 Å²	74	59.4 Å²	59.4	52%	0.517	36%	0.356	S	S	.	.			trans	-93.8	110.1	161.1	-177.7	0	0	0	0	108.1	Q361	S358-Q361 WeakPolarHBondContact OG-CB 3.3Å; S358-Q361 PolarHBondContact OG-OE1 2.9Å
359	V	84.3	Confident	87.8	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.018	36%	0.356	C	S	.	.			trans	-120.7	138.9	179.9	-172.8	0	0	0	0	109.3	F341 Q345 W355 Q357 Q361 E536 K539 M540	F341-V359 HydrophobicContact CD1-CG1 3.94Å; F341-V359 HydrophobicContact CE1-CG1 3.94Å; Q345-V359 PolarHBondContact NE2-O 3.49Å; Q345-V359 VanDerWaalsContact NE2-O 3.11Å; W355-V359 HydrophobicContact CH2-CG2 4.14Å; W355-V359 HydrophobicContact CZ2-CB 4.41Å; W355-V359 HydrophobicContact CZ2-CG2 3.78Å; Q357-V359 HydrophobicContact CB-CG2 3.82Å; V359-Q361 PolarHBondContact O-N 2.85Å; V359-Q361 VanDerWaalsContact O-N 3.17Å; V359-E536 HydrophobicContact CG1-CB 4.18Å; V359-E536 WeakPolarHBondContact CG1-O 3.46Å; V359-K539 HydrophobicContact CG1-CB 3.96Å; V359-K539 HydrophobicContact CG2-CB 4.4Å; V359-M540 HydrophobicContact CB-SD 4.4Å; V359-M540 HydrophobicContact CG1-CB 4.09Å; V359-M540 HydrophobicContact CG1-SD 4.45Å
360	G	82.9	Confident	88	Confident	2 Å²	2	58.3 Å²	58.3	2%	0.021	35%	0.35	C	S	.	.	S	Bend	trans	77	-10.6	177.4	0	0	0	0	0	115.6	C362 L363 E536	G360-C362 PolarHBondContact O-N 3.13Å; G360-C362 VanDerWaalsContact O-N 3.15Å; G360-L363 WeakPolarHBondContact O-CA 3.39Å; G360-L363 WeakPolarHBondContact O-CB 3.4Å; G360-L363 PolarHBondContact O-N 3.19Å; G360-E536 PolarHBondContact N-OE2 3.43Å; G360-E536 VanDerWaalsContact N-OE2 3.12Å
361	Q	84.4	Confident	88.1	Confident	145 Å²	145	52 Å²	52	68%	0.678	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-57.3	-31.3	178.3	-170.3	177.8	14.6	0	0	112.9	S358 V359 L363 A364	S358-Q361 WeakPolarHBondContact OG-CB 3.3Å; S358-Q361 PolarHBondContact OG-OE1 2.9Å; V359-Q361 PolarHBondContact O-N 2.85Å; V359-Q361 VanDerWaalsContact O-N 3.17Å; Q361-L363 PolarHBondContact O-N 3.17Å; Q361-A364 PolarHBondContact O-N 2.88Å
362	C	84.4	Confident	88.2	Confident	100 Å²	100	51.2 Å²	51.2	68%	0.676	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-75.8	-1.6	175.1	66	0	0	0	0	114.8	G360	G360-C362 PolarHBondContact O-N 3.13Å; G360-C362 VanDerWaalsContact O-N 3.15Å
363	L	87.3	Confident	88.3	Confident	20 Å²	20	46 Å²	46	11%	0.105	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-106.5	-10.1	176	-53	176.2	0	0	0	112.4	V337 F341 G360 Q361 N365 E536	V337-L363 HydrophobicContact CG2-CB 3.7Å; F341-L363 HydrophobicContact CE2-CD1 3.65Å; F341-L363 HydrophobicContact CZ-CD1 4.02Å; G360-L363 WeakPolarHBondContact O-CA 3.39Å; G360-L363 WeakPolarHBondContact O-CB 3.4Å; G360-L363 PolarHBondContact O-N 3.19Å; Q361-L363 PolarHBondContact O-N 3.17Å; L363-N365 PolarHBondContact O-N 2.93Å; L363-E536 HydrophobicContact CD1-CB 3.84Å; L363-E536 HydrophobicContact CD1-CG 3.83Å; L363-E536 HydrophobicContact CD2-CG 4.5Å; L363-E536 HydrophobicContact CG-CG 4.08Å
364	A	89.3	Confident	88.3	Confident	52 Å²	52	51.9 Å²	51.9	43%	0.43	32%	0.32	S	S	.	.			trans	-63.1	119.9	-179.8	0	0	0	0	0	110.5	V337 Q361	V337-A364 HydrophobicContact CG1-CB 4.49Å; Q361-A364 PolarHBondContact O-N 2.88Å
365	N	92.9	Very high	88.6	Confident	8 Å²	8	54.3 Å²	54.3	4%	0.043	31%	0.314	C	S	.	.			trans	-112.3	16.3	-172.5	65.2	-7.3	0	0	0	113	E330 Q334 L363 A367 V368 I369	E330-N365 WeakPolarHBondContact CG-ND2 3.44Å; E330-N365 PolarHBondContact O-ND2 3.42Å; E330-N365 VanDerWaalsContact OE1-CB 3.3Å; E330-N365 WeakPolarHBondContact OE1-CB 3.26Å; E330-N365 PolarHBondContact OE1-ND2 2.85Å; Q334-N365 WeakPolarHBondContact CA-OD1 3.5Å; Q334-N365 VanDerWaalsContact CB-OD1 3.28Å; Q334-N365 WeakPolarHBondContact CB-OD1 3.24Å; L363-N365 PolarHBondContact O-N 2.93Å; N365-A367 PolarHBondContact O-N 3.11Å; N365-A367 VanDerWaalsContact O-N 3.11Å; N365-V368 WeakPolarHBondContact O-CB 3.13Å; N365-V368 PolarHBondContact O-N 3.45Å; N365-I369 PolarHBondContact O-N 3.3Å
366	D	93.4	Very high	88.8	Confident	72 Å²	72	56.8 Å²	56.8	39%	0.385	34%	0.335	S	S	.	.	H	α-helix	trans	-55.3	-30.8	-179.9	-60	-82.6	0	0	0	113.1	Q334 I369 N370	Q334-D366 PolarHBondContact NE2-OD1 3.47Å; D366-I369 PolarHBondContact O-N 2.93Å; D366-N370 VanDerWaalsContact O-CB 3.22Å; D366-N370 WeakPolarHBondContact O-CB 3.49Å; D366-N370 VanDerWaalsContact O-CG 3.3Å; D366-N370 PolarHBondContact O-N 3.4Å; D366-N370 PolarHBondContact O-ND2 2.92Å
367	A	93	Very high	89.5	Confident	59 Å²	59	57.1 Å²	57.1	49%	0.488	32%	0.32	S	S	.	.	H	α-helix	trans	-61.3	-44.8	173.1	0	0	0	0	0	112.3	N365 N370 L371	N365-A367 PolarHBondContact O-N 3.11Å; N365-A367 VanDerWaalsContact O-N 3.11Å; A367-N370 PolarHBondContact O-N 2.72Å; A367-L371 WeakPolarHBondContact O-CB 3.39Å; A367-L371 PolarHBondContact O-N 3.07Å
368	V	95.6	Very high	90.3	Very high	10 Å²	10	52.7 Å²	52.7	6%	0.061	30%	0.3	C	S	.	.	H	α-helix	trans	-69.5	-41.5	178.3	-169.2	0	0	0	0	110.7	E330 N365 L371 L372 A410 I423 Q424	E330-V368 HydrophobicContact CG-CB 4.23Å; E330-V368 HydrophobicContact CG-CG1 3.95Å; N365-V368 WeakPolarHBondContact O-CB 3.13Å; N365-V368 PolarHBondContact O-N 3.45Å; V368-L371 WeakPolarHBondContact O-CB 3.24Å; V368-L371 PolarHBondContact O-N 3.16Å; V368-L372 HydrophobicContact CG1-CD1 4.25Å; V368-L372 WeakPolarHBondContact O-CG 3.49Å; V368-L372 PolarHBondContact O-N 3.39Å; V368-A410 HydrophobicContact CG2-CB 4.35Å; V368-I423 HydrophobicContact CG1-CG2 3.76Å; V368-Q424 VanDerWaalsContact CG2-O 3.22Å; V368-Q424 WeakPolarHBondContact CG2-O 3.39Å
369	I	95.5	Very high	91	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-63.7	-42.6	175.7	-66.9	-60.1	0	0	0	111.5	E330 K331 Q334 N365 D366 L372 T373	E330-I369 HydrophobicContact CB-CD1 3.85Å; E330-I369 HydrophobicContact CG-CD1 3.66Å; E330-I369 HydrophobicContact CG-CG1 4.25Å; K331-I369 HydrophobicContact CD-CD1 4.08Å; K331-I369 HydrophobicContact CG-CD1 3.96Å; K331-I369 VanDerWaalsContact NZ-CG2 3.34Å; Q334-I369 HydrophobicContact CB-CG1 4.26Å; Q334-I369 HydrophobicContact CG-CG1 4.36Å; N365-I369 PolarHBondContact O-N 3.3Å; D366-I369 PolarHBondContact O-N 2.93Å; I369-L372 PolarHBondContact O-N 2.96Å; I369-T373 PolarHBondContact O-N 3.31Å; I369-T373 PolarHBondContact O-OG1 3.23Å
370	N	94.5	Very high	91.5	Very high	73 Å²	73	49.2 Å²	49.2	39%	0.39	28%	0.275	S	S	.	.	H	α-helix	trans	-66.3	-43.6	176.4	-80.8	-61.8	0	0	0	111.2	D366 A367 L372 T373 K374	D366-N370 VanDerWaalsContact O-CB 3.22Å; D366-N370 WeakPolarHBondContact O-CB 3.49Å; D366-N370 VanDerWaalsContact O-CG 3.3Å; D366-N370 PolarHBondContact O-N 3.4Å; D366-N370 PolarHBondContact O-ND2 2.92Å; A367-N370 PolarHBondContact O-N 2.72Å; N370-L372 VanDerWaalsContact C-N 3.25Å; N370-L372 PolarHBondContact O-N 2.75Å; N370-T373 PolarHBondContact O-N 3.07Å; N370-K374 HydrophobicContact CB-CB 4.1Å; N370-K374 HydrophobicContact CB-CD 4.26Å; N370-K374 WeakPolarHBondContact O-CB 3.42Å; N370-K374 PolarHBondContact O-N 2.98Å
371	L	95.9	Very high	91.9	Very high	3 Å²	3	51 Å²	51	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-52.7	-43.8	172	173.8	66.6	0	0	0	111.7	A367 V368 G378 I379 H405 A410 Y411 I423	A367-L371 WeakPolarHBondContact O-CB 3.39Å; A367-L371 PolarHBondContact O-N 3.07Å; V368-L371 WeakPolarHBondContact O-CB 3.24Å; V368-L371 PolarHBondContact O-N 3.16Å; L371-G378 CarbonylContact O-C 3.59Å; L371-G378 VanDerWaalsContact O-CA 3.31Å; L371-G378 WeakPolarHBondContact O-CA 3.33Å; L371-I379 HydrophobicContact CD1-CD1 3.88Å; L371-I379 HydrophobicContact CD1-CG1 4.18Å; L371-I379 HydrophobicContact CD2-CD1 4.24Å; L371-I379 HydrophobicContact CG-CD1 3.78Å; L371-I379 HydrophobicContact CG-CG1 4.33Å; L371-I379 PolarHBondContact O-N 3.12Å; L371-H405 HydrophobicContact CD1-CB 3.91Å; L371-H405 WeakPolarHBondContact CD1-CD2 3.44Å; L371-H405 VanDerWaalsContact CD1-CG 3.42Å; L371-A410 HydrophobicContact CD2-CB 3.87Å; L371-Y411 HydrophobicContact CD1-CD2 4.24Å; L371-Y411 HydrophobicContact CD1-CG 4.41Å; L371-Y411 HydrophobicContact CD2-CD2 4.42Å; L371-I423 HydrophobicContact CD2-CD1 4.48Å; L371-I423 HydrophobicContact CD2-CG1 4.28Å; L371-I423 HydrophobicContact CD2-CG2 4.09Å
372	L	95.4	Very high	92.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-76.3	-34.8	-179.4	-69.8	169.2	0	0	0	114	L323 Y327 V368 I369 N370 I379 L380 I423	L323-L372 HydrophobicContact CD1-CD2 3.99Å; Y327-L372 HydrophobicContact CD2-CB 4.26Å; Y327-L372 HydrophobicContact CD2-CD1 3.9Å; V368-L372 HydrophobicContact CG1-CD1 4.25Å; V368-L372 WeakPolarHBondContact O-CG 3.49Å; V368-L372 PolarHBondContact O-N 3.39Å; I369-L372 PolarHBondContact O-N 2.96Å; N370-L372 VanDerWaalsContact C-N 3.25Å; N370-L372 PolarHBondContact O-N 2.75Å; L372-I379 HydrophobicContact CD2-CB 4.41Å; L372-I379 HydrophobicContact CD2-CD1 4.45Å; L372-L380 HydrophobicContact CB-CD1 4.47Å; L372-L380 VanDerWaalsContact O-CB 3.31Å; L372-L380 WeakPolarHBondContact O-CB 3.45Å; L372-L380 VanDerWaalsContact O-CG 3.28Å; L372-L380 WeakPolarHBondContact O-CG 3.49Å; L372-L380 PolarHBondContact O-N 2.92Å; L372-I423 HydrophobicContact CD2-CD1 3.74Å
373	T	94.1	Very high	92.7	Very high	34 Å²	34	40 Å²	40	21%	0.209	22%	0.222	C	C	.	.	H	α-helix	trans	-129.5	-10.6	-163.6	61.1	0	0	0	0	117.4	Y327 I369 N370 K375 L380	Y327-T373 HydrophobicContact CD2-CG2 4.3Å; Y327-T373 HydrophobicContact CE2-CG2 3.36Å; I369-T373 PolarHBondContact O-N 3.31Å; I369-T373 PolarHBondContact O-OG1 3.23Å; N370-T373 PolarHBondContact O-N 3.07Å; T373-K375 PolarHBondContact O-N 3.37Å; T373-K375 VanDerWaalsContact O-N 3.11Å; T373-L380 HydrophobicContact CG2-CD1 4.18Å
374	K	91.5	Very high	92.8	Very high	133 Å²	133	39.4 Å²	39.4	58%	0.578	22%	0.22	S	C	*	.			trans	-72.8	107	-174.3	-174.7	179.6	177.8	-179.3	0	111.1	N370 N377 G378	N370-K374 HydrophobicContact CB-CB 4.1Å; N370-K374 HydrophobicContact CB-CD 4.26Å; N370-K374 WeakPolarHBondContact O-CB 3.42Å; N370-K374 PolarHBondContact O-N 2.98Å; K374-N377 PolarHBondContact O-N 3.06Å; K374-G378 WeakPolarHBondContact O-CA 3.14Å; K374-G378 PolarHBondContact O-N 3.23Å
375	K	88.6	Confident	92.9	Very high	140 Å²	140	40.5 Å²	40.5	61%	0.609	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	146.4	174.3	-58.2	-160.7	-176.3	-143.6	0	111.1	T373	T373-K375 PolarHBondContact O-N 3.37Å; T373-K375 VanDerWaalsContact O-N 3.11Å
376	P	88.2	Confident	92.8	Very high	93 Å²	93	40.2 Å²	40.2	60%	0.604	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	cis	-74.7	-40.5	-3.6	25.9	-29.6	0	0	0	113.9	G378 Q381	P376-G378 PolarHBondContact O-N 2.94Å; P376-Q381 WeakPolarHBondContact O-CB 3.33Å; P376-Q381 VanDerWaalsContact O-CG 3.24Å; P376-Q381 WeakPolarHBondContact O-CG 3.35Å
377	N	91.1	Very high	92.4	Very high	81 Å²	81	37.2 Å²	37.2	43%	0.433	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	3.4	-158.9	-62.8	1.5	0	0	0	116.9	K374 L382 C404 H405	K374-N377 PolarHBondContact O-N 3.06Å; N377-L382 WeakPolarHBondContact O-CD1 3.48Å; N377-L382 WeakPolarHBondContact O-CG 3.43Å; N377-C404 HydrophobicContact CB-CB 4.18Å; N377-H405 PolarHBondContact O-CE1 2.79Å; N377-H405 PolarHBondContact O-NE2 3.08Å; N377-H405 VanDerWaalsContact O-NE2 3.16Å
378	G	94.3	Very high	92	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.01	19%	0.193	C	C	.	.			trans	-63.1	143.3	-177.1	0	0	0	0	0	113.2	L371 K374 P376 L380 Q381 L382	L371-G378 CarbonylContact O-C 3.59Å; L371-G378 VanDerWaalsContact O-CA 3.31Å; L371-G378 WeakPolarHBondContact O-CA 3.33Å; K374-G378 WeakPolarHBondContact O-CA 3.14Å; K374-G378 PolarHBondContact O-N 3.23Å; P376-G378 PolarHBondContact O-N 2.94Å; G378-L380 VanDerWaalsContact C-N 3.26Å; G378-L380 PolarHBondContact O-N 3.04Å; G378-L380 VanDerWaalsContact O-N 3.07Å; G378-Q381 WeakPolarHBondContact O-CA 3.07Å; G378-Q381 WeakPolarHBondContact O-CB 3.11Å; G378-Q381 PolarHBondContact O-N 2.93Å; G378-L382 PolarHBondContact O-N 3.11Å
379	I	95.5	Very high	91.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-49.6	-41.7	-171.6	-63.8	178.3	0	0	0	113.2	L371 L372 Q381 L382 L383 F397 H405 Y411 F421 I423	L371-I379 HydrophobicContact CD1-CD1 3.88Å; L371-I379 HydrophobicContact CD1-CG1 4.18Å; L371-I379 HydrophobicContact CD2-CD1 4.24Å; L371-I379 HydrophobicContact CG-CD1 3.78Å; L371-I379 HydrophobicContact CG-CG1 4.33Å; L371-I379 PolarHBondContact O-N 3.12Å; L372-I379 HydrophobicContact CD2-CB 4.41Å; L372-I379 HydrophobicContact CD2-CD1 4.45Å; I379-Q381 VanDerWaalsContact C-N 3.32Å; I379-Q381 PolarHBondContact O-N 2.94Å; I379-L382 PolarHBondContact O-N 3.45Å; I379-L383 WeakPolarHBondContact O-CB 3.49Å; I379-L383 PolarHBondContact O-N 2.91Å; I379-F397 HydrophobicContact CG2-CE2 4.23Å; I379-F397 HydrophobicContact CG2-CZ 3.84Å; I379-H405 WeakPolarHBondContact CG1-NE2 3.31Å; I379-Y411 HydrophobicContact CD1-CD2 3.99Å; I379-Y411 HydrophobicContact CD1-CE2 4.15Å; I379-F421 HydrophobicContact CG2-CZ 4.35Å; I379-I423 HydrophobicContact CD1-CD1 3.73Å; I379-I423 HydrophobicContact CD1-CG1 4.38Å
380	L	93.5	Very high	90.5	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.016	25%	0.25	C	C	.	.	H	α-helix	trans	-74	-21.3	-178.9	-57.8	-179.8	0	0	0	113.5	L323 Y327 L372 T373 G378 A384 T484	L323-L380 HydrophobicContact CD2-CD2 4.35Å; Y327-L380 HydrophobicContact CD1-CD1 4.04Å; Y327-L380 HydrophobicContact CD2-CD1 4.13Å; Y327-L380 HydrophobicContact CE1-CD1 4.14Å; Y327-L380 HydrophobicContact CE2-CD1 4.23Å; Y327-L380 HydrophobicContact CG-CD1 4.03Å; L372-L380 HydrophobicContact CB-CD1 4.47Å; L372-L380 VanDerWaalsContact O-CB 3.31Å; L372-L380 WeakPolarHBondContact O-CB 3.45Å; L372-L380 VanDerWaalsContact O-CG 3.28Å; L372-L380 WeakPolarHBondContact O-CG 3.49Å; L372-L380 PolarHBondContact O-N 2.92Å; T373-L380 HydrophobicContact CG2-CD1 4.18Å; G378-L380 VanDerWaalsContact C-N 3.26Å; G378-L380 PolarHBondContact O-N 3.04Å; G378-L380 VanDerWaalsContact O-N 3.07Å; L380-A384 PolarHBondContact O-N 3.26Å; L380-T484 HydrophobicContact CB-CG2 4.48Å; L380-T484 HydrophobicContact CD2-CG2 3.81Å
381	Q	91.4	Very high	89.9	Confident	40 Å²	40	52.7 Å²	52.7	19%	0.187	27%	0.269	C	S	.	.	H	α-helix	trans	-81.8	-45.9	170.4	-177.3	65.6	65.1	0	0	110.3	P376 G378 I379 L383 A384 D385	P376-Q381 WeakPolarHBondContact O-CB 3.33Å; P376-Q381 VanDerWaalsContact O-CG 3.24Å; P376-Q381 WeakPolarHBondContact O-CG 3.35Å; G378-Q381 WeakPolarHBondContact O-CA 3.07Å; G378-Q381 WeakPolarHBondContact O-CB 3.11Å; G378-Q381 PolarHBondContact O-N 2.93Å; I379-Q381 VanDerWaalsContact C-N 3.32Å; I379-Q381 PolarHBondContact O-N 2.94Å; Q381-L383 PolarHBondContact O-N 3.14Å; Q381-A384 CarbonylContact O-C 3.58Å; Q381-A384 WeakPolarHBondContact O-CA 3.33Å; Q381-A384 WeakPolarHBondContact O-CB 3.32Å; Q381-A384 PolarHBondContact O-N 3.04Å; Q381-D385 PolarHBondContact NE2-OD1 3.38Å; Q381-D385 PolarHBondContact O-N 3.5Å
382	L	93.7	Very high	89.4	Confident	14 Å²	14	53.1 Å²	53.1	7%	0.073	27%	0.274	C	S	.	.	H	α-helix	trans	-54.6	-42	174	-68	177.5	0	0	0	111.8	N377 G378 I379 D385 E386 F397 C404	N377-L382 WeakPolarHBondContact O-CD1 3.48Å; N377-L382 WeakPolarHBondContact O-CG 3.43Å; G378-L382 PolarHBondContact O-N 3.11Å; I379-L382 PolarHBondContact O-N 3.45Å; L382-D385 PolarHBondContact O-N 2.72Å; L382-E386 PolarHBondContact O-N 2.72Å; L382-F397 HydrophobicContact CB-CD2 4.44Å; L382-F397 HydrophobicContact CB-CE2 4.27Å; L382-C404 HydrophobicContact CD1-CB 4.12Å
383	L	93	Very high	89.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.7	-39.6	174.9	-175.1	58.7	0	0	0	112.2	F320 I379 Q381 E386 C387 F397 Y437 V438 N441 T484	F320-L383 HydrophobicContact CD2-CD2 4.15Å; F320-L383 HydrophobicContact CE2-CD2 3.74Å; I379-L383 WeakPolarHBondContact O-CB 3.49Å; I379-L383 PolarHBondContact O-N 2.91Å; Q381-L383 PolarHBondContact O-N 3.14Å; L383-E386 PolarHBondContact O-N 3.46Å; L383-C387 PolarHBondContact O-N 3.01Å; L383-C387 PolarHBondContact O-SG 3.04Å; L383-F397 HydrophobicContact CB-CD2 4.06Å; L383-F397 HydrophobicContact CB-CE2 3.53Å; L383-F397 HydrophobicContact CB-CZ 3.89Å; L383-F397 HydrophobicContact CD1-CD1 3.99Å; L383-F397 HydrophobicContact CD1-CD2 4.01Å; L383-F397 HydrophobicContact CD1-CE1 4.01Å; L383-F397 HydrophobicContact CD1-CE2 4.05Å; L383-F397 HydrophobicContact CD1-CG 3.99Å; L383-F397 HydrophobicContact CD1-CZ 4.04Å; L383-F397 HydrophobicContact CG-CE2 4.31Å; L383-F397 HydrophobicContact CG-CZ 4.35Å; L383-Y437 HydrophobicContact CD2-CD2 4.1Å; L383-V438 HydrophobicContact CD1-CG2 4.05Å; L383-N441 HydrophobicContact CD2-CB 3.96Å; L383-N441 HydrophobicContact CG-CB 4.18Å; L383-T484 HydrophobicContact CD2-CG2 4.42Å
384	A	89.3	Confident	88.9	Confident	8 Å²	8	54.4 Å²	54.4	7%	0.066	28%	0.283	C	S	.	.	H	α-helix	trans	-68.5	-36.7	177.6	0	0	0	0	0	112.1	L380 Q381 E386 C387 N388 T482	L380-A384 PolarHBondContact O-N 3.26Å; Q381-A384 CarbonylContact O-C 3.58Å; Q381-A384 WeakPolarHBondContact O-CA 3.33Å; Q381-A384 WeakPolarHBondContact O-CB 3.32Å; Q381-A384 PolarHBondContact O-N 3.04Å; A384-E386 VanDerWaalsContact C-N 3.33Å; A384-C387 WeakPolarHBondContact O-CB 3.32Å; A384-C387 PolarHBondContact O-N 2.92Å; A384-N388 PolarHBondContact O-N 3.41Å; A384-N388 PolarHBondContact O-ND2 3.42Å; A384-T482 HydrophobicContact CB-CG2 3.9Å
385	D	89.8	Confident	88.9	Confident	75 Å²	75	51.8 Å²	51.8	40%	0.401	27%	0.273	S	S	.	.	H	α-helix	trans	-65	-39.2	174.6	-60.7	-19.3	0	0	0	110.4	Q381 L382 N388 F389	Q381-D385 PolarHBondContact NE2-OD1 3.38Å; Q381-D385 PolarHBondContact O-N 3.5Å; L382-D385 PolarHBondContact O-N 2.72Å; D385-N388 PolarHBondContact O-N 2.97Å; D385-F389 PolarHBondContact O-N 3.35Å; D385-F389 VanDerWaalsContact O-N 3.12Å
386	E	90.7	Very high	89	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-65.9	-40	173.3	-142	66.6	-156	0	0	112.9	L382 L383 A384 N388 F389 G392 S396 F397 K400 V438	L382-E386 PolarHBondContact O-N 2.72Å; L383-E386 PolarHBondContact O-N 3.46Å; A384-E386 VanDerWaalsContact C-N 3.33Å; E386-N388 PolarHBondContact O-N 3.28Å; E386-F389 PolarHBondContact O-N 3.17Å; E386-F389 VanDerWaalsContact O-N 3.08Å; E386-G392 WeakPolarHBondContact OE1-CA 3.44Å; E386-S396 WeakPolarHBondContact OE1-CB 3.44Å; E386-S396 PolarHBondContact OE1-OG 3.15Å; E386-F397 HydrophobicContact CB-CB 4.4Å; E386-F397 HydrophobicContact CG-CB 4.05Å; E386-K400 IonicContact OE1-NZ 3.12Å; E386-K400 PolarHBondContact OE1-NZ 3.32Å; E386-K400 VanDerWaalsContact OE1-NZ 3.1Å; E386-K400 WeakPolarHBondContact OE2-CD 3.44Å; E386-K400 WeakPolarHBondContact OE2-CE 3.47Å; E386-K400 IonicContact OE2-NZ 3.19Å; E386-K400 PolarHBondContact OE2-NZ 3.39Å; E386-V438 HydrophobicContact CB-CG2 4.03Å; E386-V438 HydrophobicContact CG-CG2 3.92Å
387	C	86.7	Confident	89.3	Confident	10 Å²	10	42.1 Å²	42.1	7%	0.068	23%	0.225	C	C	.	.	H	α-helix	trans	-58.4	-37.7	176.4	-67.8	0	0	0	0	112.5	L383 A384 V438 N441 R442 T482	L383-C387 PolarHBondContact O-N 3.01Å; L383-C387 PolarHBondContact O-SG 3.04Å; A384-C387 WeakPolarHBondContact O-CB 3.32Å; A384-C387 PolarHBondContact O-N 2.92Å; C387-V438 PolarHBondContact SG-O 2.69Å; C387-V438 VanDerWaalsContact SG-O 3.35Å; C387-N441 PolarHBondContact SG-ND2 3.23Å; C387-N441 VanDerWaalsContact SG-ND2 3.37Å; C387-R442 HydrophobicContact CB-CG 3.94Å; C387-R442 PolarHBondContact O-NE 3.2Å; C387-R442 PolarHBondContact O-NH2 2.89Å; C387-T482 HydrophobicContact CB-CG2 4.03Å
388	N	82.9	Confident	89.4	Confident	57 Å²	57	38.5 Å²	38.5	31%	0.305	21%	0.206	S	C	.	.	H	α-helix	trans	-85.5	-9.5	178.7	-70.8	-88.4	0	0	0	113	A384 D385 E386 H480	A384-N388 PolarHBondContact O-N 3.41Å; A384-N388 PolarHBondContact O-ND2 3.42Å; D385-N388 PolarHBondContact O-N 2.97Å; E386-N388 PolarHBondContact O-N 3.28Å; N388-H480 PolarHBondContact OD1-N 2.95Å; N388-H480 VanDerWaalsContact OD1-N 3.16Å
389	F	83.7	Confident	89.3	Confident	108 Å²	108	43.9 Å²	43.9	47%	0.474	23%	0.234	S	C	.	.	S	Bend	trans	-84.4	125.2	177.1	-167.1	-119.3	0	0	0	111	D385 E386 K391 G392	D385-F389 PolarHBondContact O-N 3.35Å; D385-F389 VanDerWaalsContact O-N 3.12Å; E386-F389 PolarHBondContact O-N 3.17Å; E386-F389 VanDerWaalsContact O-N 3.08Å; F389-K391 HydrophobicContact CD1-CB 4.35Å; F389-K391 HydrophobicContact CE1-CB 4Å; F389-K391 PolarHBondContact O-N 3.04Å; F389-G392 PolarHBondContact O-N 2.89Å
390	P	75.7	Confident	89.1	Confident	123 Å²	123	47.5 Å²	47.5	80%	0.799	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.5	-174.4	-26.7	35.7	0	0	0	115.8
391	K	82.4	Confident	89.1	Confident	182 Å²	182	47.4 Å²	47.4	79%	0.791	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.4	25.9	174.3	-64.2	-170	175.2	-171.8	0	112.3	F389	F389-K391 HydrophobicContact CD1-CB 4.35Å; F389-K391 HydrophobicContact CE1-CB 4Å; F389-K391 PolarHBondContact O-N 3.04Å
392	G	84.9	Confident	89.2	Confident	12 Å²	12	46.1 Å²	46.1	12%	0.124	24%	0.243	C	C	.	.			trans	-75.4	132.7	177.5	0	0	0	0	0	111.6	E386 F389	E386-G392 WeakPolarHBondContact OE1-CA 3.44Å; F389-G392 PolarHBondContact O-N 2.89Å
393	S	89.1	Confident	89.1	Confident	44 Å²	44	49.5 Å²	49.5	31%	0.308	27%	0.268	S	S	.	.			trans	-132.7	169.5	177.3	80.3	0	0	0	0	111.3	E395 S396 F397	S393-E395 VanDerWaalsContact C-N 3.27Å; S393-E395 WeakPolarHBondContact CB-OE2 3.49Å; S393-E395 PolarHBondContact O-N 3.2Å; S393-E395 PolarHBondContact OG-OE2 3.35Å; S393-S396 PolarHBondContact N-OG 3.44Å; S393-S396 PolarHBondContact O-N 3.01Å; S393-S396 PolarHBondContact O-OG 3.16Å; S393-S396 PolarHBondContact OG-N 2.94Å; S393-F397 WeakPolarHBondContact O-CB 3.48Å; S393-F397 PolarHBondContact O-N 3.49Å
394	D	90.9	Very high	89.1	Confident	18 Å²	18	51.6 Å²	51.6	10%	0.096	28%	0.283	C	S	.	.	H	α-helix	trans	-66.6	-30.2	-179.7	-60.3	-43.8	0	0	0	112.2	V398 V434 G436 Y437 V438	D394-V398 WeakPolarHBondContact O-CG2 3.35Å; D394-V398 PolarHBondContact O-N 3.36Å; D394-V434 HydrophobicContact CB-CB 4.23Å; D394-V434 HydrophobicContact CB-CG2 3.75Å; D394-G436 WeakPolarHBondContact OD2-CA 3.17Å; D394-G436 PolarHBondContact OD2-N 3.45Å; D394-Y437 WeakPolarHBondContact OD1-CA 3.39Å; D394-Y437 WeakPolarHBondContact OD1-CB 3.4Å; D394-Y437 PolarHBondContact OD1-N 3.39Å; D394-V438 WeakPolarHBondContact OD1-CG2 3.43Å; D394-V438 PolarHBondContact OD1-N 3.23Å
395	E	90.7	Very high	89.3	Confident	77 Å²	77	51.9 Å²	51.9	36%	0.36	28%	0.283	S	S	.	.	H	α-helix	trans	-69	-44.5	174	-53.3	80.2	-175.8	0	0	111.7	S393 F397 V398 L399 H419	S393-E395 VanDerWaalsContact C-N 3.27Å; S393-E395 WeakPolarHBondContact CB-OE2 3.49Å; S393-E395 PolarHBondContact O-N 3.2Å; S393-E395 PolarHBondContact OG-OE2 3.35Å; E395-F397 VanDerWaalsContact C-N 3.29Å; E395-F397 PolarHBondContact O-N 2.71Å; E395-V398 PolarHBondContact O-N 2.9Å; E395-L399 WeakPolarHBondContact O-CB 3.47Å; E395-L399 VanDerWaalsContact O-CG 3.25Å; E395-L399 WeakPolarHBondContact O-CG 3.39Å; E395-L399 PolarHBondContact O-N 3.16Å; E395-H419 IonicContact OE1-CE1 2.66Å; E395-H419 PolarHBondContact OE1-CE1 3.37Å; E395-H419 IonicContact OE1-ND1 3.21Å
396	S	92.3	Very high	89.3	Confident	30 Å²	30	53.8 Å²	53.8	21%	0.21	29%	0.289	C	S	.	.	H	α-helix	trans	-67.9	-32.5	177.7	61.6	0	0	0	0	111.7	E386 S393 K400	E386-S396 WeakPolarHBondContact OE1-CB 3.44Å; E386-S396 PolarHBondContact OE1-OG 3.15Å; S393-S396 PolarHBondContact N-OG 3.44Å; S393-S396 PolarHBondContact O-N 3.01Å; S393-S396 PolarHBondContact O-OG 3.16Å; S393-S396 PolarHBondContact OG-N 2.94Å; S396-K400 WeakPolarHBondContact O-CB 3.32Å; S396-K400 WeakPolarHBondContact O-CG 3.14Å; S396-K400 PolarHBondContact O-N 2.84Å
397	F	93.9	Very high	89.2	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.5	-50.9	167.9	167.9	-120.5	0	0	0	112.5	I379 L382 L383 E386 S393 E395 L399 K400 C401 F421 V434 Y437 V438	I379-F397 HydrophobicContact CG2-CE2 4.23Å; I379-F397 HydrophobicContact CG2-CZ 3.84Å; L382-F397 HydrophobicContact CB-CD2 4.44Å; L382-F397 HydrophobicContact CB-CE2 4.27Å; L383-F397 HydrophobicContact CB-CD2 4.06Å; L383-F397 HydrophobicContact CB-CE2 3.53Å; L383-F397 HydrophobicContact CB-CZ 3.89Å; L383-F397 HydrophobicContact CD1-CD1 3.99Å; L383-F397 HydrophobicContact CD1-CD2 4.01Å; L383-F397 HydrophobicContact CD1-CE1 4.01Å; L383-F397 HydrophobicContact CD1-CE2 4.05Å; L383-F397 HydrophobicContact CD1-CG 3.99Å; L383-F397 HydrophobicContact CD1-CZ 4.04Å; L383-F397 HydrophobicContact CG-CE2 4.31Å; L383-F397 HydrophobicContact CG-CZ 4.35Å; E386-F397 HydrophobicContact CB-CB 4.4Å; E386-F397 HydrophobicContact CG-CB 4.05Å; S393-F397 WeakPolarHBondContact O-CB 3.48Å; S393-F397 PolarHBondContact O-N 3.49Å; E395-F397 VanDerWaalsContact C-N 3.29Å; E395-F397 PolarHBondContact O-N 2.71Å; F397-L399 PolarHBondContact O-N 3.46Å; F397-K400 WeakPolarHBondContact O-CB 3.49Å; F397-K400 PolarHBondContact O-N 2.88Å; F397-C401 WeakPolarHBondContact CE2-SG 3.45Å; F397-C401 PolarHBondContact O-N 2.93Å; F397-F421 AromaticContact CE1-CE1 3.93Å; F397-F421 HydrophobicContact CE1-CE1 3.93Å; F397-F421 HydrophobicContact CZ-CE1 4.2Å; F397-V434 HydrophobicContact CD1-CB 4.31Å; F397-V434 HydrophobicContact CD1-CG1 4.06Å; F397-V434 HydrophobicContact CE1-CB 4.42Å; F397-V434 HydrophobicContact CE1-CG1 3.81Å; F397-Y437 HydrophobicContact CD1-CD2 4.46Å; F397-Y437 AromaticContact CE1-CD2 3.67Å; F397-Y437 HydrophobicContact CE1-CD2 3.67Å; F397-Y437 HydrophobicContact CE1-CE2 4.32Å; F397-Y437 HydrophobicContact CE1-CG 4.49Å; F397-Y437 HydrophobicContact CZ-CD2 4.36Å; F397-V438 HydrophobicContact CB-CG2 4.42Å
398	V	93.1	Very high	89.5	Confident	5 Å²	5	62.6 Å²	62.6	3%	0.03	34%	0.336	C	S	.	.	H	α-helix	trans	-62.7	-42.1	177.6	171.3	0	0	0	0	111.8	D394 E395 K400 C401 D402 A418 F421 V434	D394-V398 WeakPolarHBondContact O-CG2 3.35Å; D394-V398 PolarHBondContact O-N 3.36Å; E395-V398 PolarHBondContact O-N 2.9Å; V398-K400 VanDerWaalsContact C-N 3.26Å; V398-K400 PolarHBondContact O-N 3.48Å; V398-C401 PolarHBondContact O-N 3.2Å; V398-D402 WeakPolarHBondContact O-CB 3.42Å; V398-D402 PolarHBondContact O-N 2.88Å; V398-A418 WeakPolarHBondContact CG1-O 3.23Å; V398-F421 HydrophobicContact CG2-CD1 4.39Å; V398-V434 HydrophobicContact CG2-CB 4.02Å; V398-V434 HydrophobicContact CG2-CG1 3.56Å; V398-V434 HydrophobicContact CG2-CG2 3.38Å
399	L	91.4	Very high	89.8	Confident	114 Å²	114	67.4 Å²	67.4	60%	0.597	36%	0.361	S	S	*	.	H	α-helix	trans	-61.1	-34.7	177.1	-71.6	169.3	0	0	0	112.2	E395 F397 S403	E395-L399 WeakPolarHBondContact O-CB 3.47Å; E395-L399 VanDerWaalsContact O-CG 3.25Å; E395-L399 WeakPolarHBondContact O-CG 3.39Å; E395-L399 PolarHBondContact O-N 3.16Å; F397-L399 PolarHBondContact O-N 3.46Å; L399-S403 WeakPolarHBondContact O-CB 3.31Å; L399-S403 PolarHBondContact O-N 2.91Å; L399-S403 VanDerWaalsContact O-N 3.1Å; L399-S403 PolarHBondContact O-OG 3.49Å
400	K	92.5	Very high	90.2	Very high	77 Å²	77	62.6 Å²	62.6	34%	0.335	34%	0.341	S	S	.	.	H	α-helix	trans	-70.3	-48	171.6	-76.3	167.7	178.4	171.6	0	112.3	E386 S396 F397 V398 D402 S403 C404	E386-K400 IonicContact OE1-NZ 3.12Å; E386-K400 PolarHBondContact OE1-NZ 3.32Å; E386-K400 VanDerWaalsContact OE1-NZ 3.1Å; E386-K400 WeakPolarHBondContact OE2-CD 3.44Å; E386-K400 WeakPolarHBondContact OE2-CE 3.47Å; E386-K400 IonicContact OE2-NZ 3.19Å; E386-K400 PolarHBondContact OE2-NZ 3.39Å; S396-K400 WeakPolarHBondContact O-CB 3.32Å; S396-K400 WeakPolarHBondContact O-CG 3.14Å; S396-K400 PolarHBondContact O-N 2.84Å; F397-K400 WeakPolarHBondContact O-CB 3.49Å; F397-K400 PolarHBondContact O-N 2.88Å; V398-K400 VanDerWaalsContact C-N 3.26Å; V398-K400 PolarHBondContact O-N 3.48Å; K400-D402 VanDerWaalsContact C-N 3.32Å; K400-D402 PolarHBondContact O-N 2.92Å; K400-S403 PolarHBondContact O-N 3.24Å; K400-S403 PolarHBondContact O-OG 3.43Å; K400-S403 VanDerWaalsContact O-OG 3.05Å; K400-C404 WeakPolarHBondContact O-CB 3.48Å; K400-C404 PolarHBondContact O-N 3.41Å; K400-C404 PolarHBondContact O-SG 2.77Å
401	C	93.8	Very high	91.2	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58.4	-44.5	176.2	-75.3	0	0	0	0	112	F397 V398 C404 H405 Y411	F397-C401 WeakPolarHBondContact CE2-SG 3.45Å; F397-C401 PolarHBondContact O-N 2.93Å; V398-C401 PolarHBondContact O-N 3.2Å; C401-C404 PolarHBondContact O-N 3.35Å; C401-H405 WeakPolarHBondContact O-CB 3.38Å; C401-H405 PolarHBondContact O-CD2 3.22Å; C401-H405 PolarHBondContact O-N 2.7Å; C401-Y411 HydrophobicContact CB-CE2 4.18Å
402	D	92.7	Very high	91.7	Very high	13 Å²	13	52.3 Å²	52.3	7%	0.07	29%	0.287	C	S	.	.	H	α-helix	trans	-59.3	-47.6	175	-82.8	-14	0	0	0	112.1	V398 K400 C404 H405 Q406 Y411 K413	V398-D402 WeakPolarHBondContact O-CB 3.42Å; V398-D402 PolarHBondContact O-N 2.88Å; K400-D402 VanDerWaalsContact C-N 3.32Å; K400-D402 PolarHBondContact O-N 2.92Å; D402-C404 VanDerWaalsContact C-N 3.3Å; D402-C404 PolarHBondContact O-N 3.01Å; D402-H405 PolarHBondContact O-N 2.87Å; D402-Q406 VanDerWaalsContact O-CB 3.25Å; D402-Q406 WeakPolarHBondContact O-CB 3.46Å; D402-Q406 WeakPolarHBondContact O-CG 3.42Å; D402-Q406 PolarHBondContact O-N 2.86Å; D402-Y411 PolarHBondContact N-OH 3.35Å; D402-Y411 VanDerWaalsContact OD1-CE1 3.3Å; D402-Y411 WeakPolarHBondContact OD1-CE1 3.1Å; D402-Y411 PolarHBondContact OD1-OH 2.96Å; D402-K413 HydrophobicContact CB-CD 4.04Å; D402-K413 VanDerWaalsContact CG-NZ 3.31Å; D402-K413 WeakPolarHBondContact OD1-CB 3.45Å; D402-K413 WeakPolarHBondContact OD1-CG 3.28Å; D402-K413 WeakPolarHBondContact OD2-CD 3.4Å; D402-K413 VanDerWaalsContact OD2-CE 3.31Å; D402-K413 WeakPolarHBondContact OD2-CE 3.34Å; D402-K413 IonicContact OD2-NZ 3.92Å; D402-K413 PolarHBondContact OD2-NZ 3.22Å
403	S	92	Very high	91.7	Very high	85 Å²	85	56.1 Å²	56.1	59%	0.594	30%	0.3	S	S	*	.	H	α-helix	trans	-69.3	-27.3	-179.3	71.6	0	0	0	0	113.4	L399 K400	L399-S403 WeakPolarHBondContact O-CB 3.31Å; L399-S403 PolarHBondContact O-N 2.91Å; L399-S403 VanDerWaalsContact O-N 3.1Å; L399-S403 PolarHBondContact O-OG 3.49Å; K400-S403 PolarHBondContact O-N 3.24Å; K400-S403 PolarHBondContact O-OG 3.43Å; K400-S403 VanDerWaalsContact O-OG 3.05Å
404	C	92.7	Very high	91	Very high	45 Å²	45	56.8 Å²	56.8	30%	0.304	30%	0.297	S	S	.	.	H	α-helix	trans	-86.9	-18.5	176.6	-73.5	0	0	0	0	114.7	N377 L382 K400 C401 D402	N377-C404 HydrophobicContact CB-CB 4.18Å; L382-C404 HydrophobicContact CD1-CB 4.12Å; K400-C404 WeakPolarHBondContact O-CB 3.48Å; K400-C404 PolarHBondContact O-N 3.41Å; K400-C404 PolarHBondContact O-SG 2.77Å; C401-C404 PolarHBondContact O-N 3.35Å; D402-C404 VanDerWaalsContact C-N 3.3Å; D402-C404 PolarHBondContact O-N 3.01Å
405	H	93.9	Very high	90	Very high	14 Å²	14	65.6 Å²	65.6	7%	0.065	34%	0.335	C	S	.	.	H	α-helix	trans	-136.5	0.9	-166.6	-54.5	-34.8	0	0	0	116.1	L371 N377 I379 C401 D402 D407 N408 Y411	L371-H405 HydrophobicContact CD1-CB 3.91Å; L371-H405 WeakPolarHBondContact CD1-CD2 3.44Å; L371-H405 VanDerWaalsContact CD1-CG 3.42Å; N377-H405 PolarHBondContact O-CE1 2.79Å; N377-H405 PolarHBondContact O-NE2 3.08Å; N377-H405 VanDerWaalsContact O-NE2 3.16Å; I379-H405 WeakPolarHBondContact CG1-NE2 3.31Å; C401-H405 WeakPolarHBondContact O-CB 3.38Å; C401-H405 PolarHBondContact O-CD2 3.22Å; C401-H405 PolarHBondContact O-N 2.7Å; D402-H405 PolarHBondContact O-N 2.87Å; H405-D407 PolarHBondContact O-N 3.44Å; H405-N408 WeakPolarHBondContact O-CB 3.31Å; H405-N408 PolarHBondContact O-N 3Å; H405-Y411 HydrophobicContact CB-CD1 3.62Å; H405-Y411 HydrophobicContact CB-CD2 4.09Å; H405-Y411 HydrophobicContact CB-CE1 4.14Å; H405-Y411 HydrophobicContact CB-CG 3.6Å; H405-Y411 WeakPolarHBondContact O-CD1 3.3Å
406	Q	88.9	Confident	89.1	Confident	115 Å²	115	67.7 Å²	67.7	54%	0.537	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-28.1	177	51.3	159.1	42.4	0	0	114.8	D402	D402-Q406 VanDerWaalsContact O-CB 3.25Å; D402-Q406 WeakPolarHBondContact O-CB 3.46Å; D402-Q406 WeakPolarHBondContact O-CG 3.42Å; D402-Q406 PolarHBondContact O-N 2.86Å
407	D	89.9	Confident	88.1	Confident	143 Å²	143	69 Å²	69	77%	0.765	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	15.2	-177.2	-54	-63.3	0	0	0	113.1	H405	H405-D407 PolarHBondContact O-N 3.44Å
408	N	91.2	Very high	87.3	Confident	53 Å²	53	72 Å²	72	28%	0.283	38%	0.382	S	S	.	.			trans	-109.5	117.6	179.7	-179.4	-13.6	0	0	0	110.6	H405 A410 Y411	H405-N408 WeakPolarHBondContact O-CB 3.31Å; H405-N408 PolarHBondContact O-N 3Å; N408-A410 PolarHBondContact O-N 3.06Å; N408-A410 WeakPolarHBondContact OD1-CB 3.45Å; N408-A410 PolarHBondContact OD1-N 2.84Å; N408-Y411 PolarHBondContact O-N 2.89Å; N408-Y411 VanDerWaalsContact O-O 3.08Å
409	D	90.9	Very high	87	Confident	158 Å²	158	73.9 Å²	73.9	85%	0.845	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-24.9	-179.5	-62.3	-46.9	0	0	0	114.7	Y411	D409-Y411 VanDerWaalsContact C-N 3.32Å
410	A	92.5	Very high	87	Confident	6 Å²	6	69.3 Å²	69.3	5%	0.05	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-10.2	177.8	0	0	0	0	0	114.3	V368 L371 N408 I423 Q424	V368-A410 HydrophobicContact CG2-CB 4.35Å; L371-A410 HydrophobicContact CD2-CB 3.87Å; N408-A410 PolarHBondContact O-N 3.06Å; N408-A410 WeakPolarHBondContact OD1-CB 3.45Å; N408-A410 PolarHBondContact OD1-N 2.84Å; A410-I423 WeakPolarHBondContact O-CA 3.46Å; A410-Q424 PolarHBondContact O-N 2.9Å
411	Y	95.4	Very high	87	Confident	6 Å²	6	65.7 Å²	65.7	2%	0.024	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.5	-176	-177.4	-90.7	0	0	0	111.2	L371 I379 C401 D402 H405 N408 D409 K413 F421	L371-Y411 HydrophobicContact CD1-CD2 4.24Å; L371-Y411 HydrophobicContact CD1-CG 4.41Å; L371-Y411 HydrophobicContact CD2-CD2 4.42Å; I379-Y411 HydrophobicContact CD1-CD2 3.99Å; I379-Y411 HydrophobicContact CD1-CE2 4.15Å; C401-Y411 HydrophobicContact CB-CE2 4.18Å; D402-Y411 PolarHBondContact N-OH 3.35Å; D402-Y411 VanDerWaalsContact OD1-CE1 3.3Å; D402-Y411 WeakPolarHBondContact OD1-CE1 3.1Å; D402-Y411 PolarHBondContact OD1-OH 2.96Å; H405-Y411 HydrophobicContact CB-CD1 3.62Å; H405-Y411 HydrophobicContact CB-CD2 4.09Å; H405-Y411 HydrophobicContact CB-CE1 4.14Å; H405-Y411 HydrophobicContact CB-CG 3.6Å; H405-Y411 WeakPolarHBondContact O-CD1 3.3Å; N408-Y411 PolarHBondContact O-N 2.89Å; N408-Y411 VanDerWaalsContact O-O 3.08Å; D409-Y411 VanDerWaalsContact C-N 3.32Å; Y411-K413 HydrophobicContact CE1-CB 4.22Å; Y411-F421 HydrophobicContact CE2-CB 3.67Å; Y411-F421 HydrophobicContact CE2-CD2 4.05Å; Y411-F421 AromaticContact CE2-CG 3.86Å; Y411-F421 HydrophobicContact CE2-CG 3.86Å; Y411-F421 WeakPolarHBondContact OH-CB 3.32Å
412	I	92.2	Very high	86.9	Confident	83 Å²	83	66.4 Å²	66.4	43%	0.426	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	103.4	-177.7	-58.8	167.3	0	0	0	109.2	T422	I412-T422 HydrophobicContact CB-CG2 4.29Å; I412-T422 HydrophobicContact CD1-CG2 4.43Å; I412-T422 PolarHBondContact N-O 3.14Å; I412-T422 PolarHBondContact O-N 3.06Å; I412-T422 VanDerWaalsContact O-N 3.17Å
413	K	85.8	Confident	87.1	Confident	92 Å²	92	65.8 Å²	65.8	40%	0.4	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	131.7	172.9	172.7	172.9	178.5	113.4	0	111.2	D402 Y411	D402-K413 HydrophobicContact CB-CD 4.04Å; D402-K413 VanDerWaalsContact CG-NZ 3.31Å; D402-K413 WeakPolarHBondContact OD1-CB 3.45Å; D402-K413 WeakPolarHBondContact OD1-CG 3.28Å; D402-K413 WeakPolarHBondContact OD2-CD 3.4Å; D402-K413 VanDerWaalsContact OD2-CE 3.31Å; D402-K413 WeakPolarHBondContact OD2-CE 3.34Å; D402-K413 IonicContact OD2-NZ 3.92Å; D402-K413 PolarHBondContact OD2-NZ 3.22Å; Y411-K413 HydrophobicContact CE1-CB 4.22Å
414	K	74.4	Confident	87.2	Confident	58 Å²	58	65.4 Å²	65.4	25%	0.252	34%	0.341	S	S	.	.			trans	-98.8	112.2	179.2	-163.9	-173.7	177.1	-167.2	0	111.5	T416 N417 E420	K414-T416 PolarHBondContact O-N 3.18Å; K414-T416 VanDerWaalsContact O-N 3.08Å; K414-N417 HydrophobicContact CD-CB 4.22Å; K414-E420 WeakPolarHBondContact CB-O 3.26Å; K414-E420 HydrophobicContact CD-CB 3.72Å; K414-E420 HydrophobicContact CD-CG 4.46Å; K414-E420 IonicContact NZ-OE1 2.63Å; K414-E420 PolarHBondContact NZ-OE1 2.8Å; K414-E420 IonicContact NZ-OE2 3.29Å; K414-E420 PolarHBondContact NZ-OE2 2.84Å
415	K	69.4	Low	87.2	Confident	204 Å²	204	63.4 Å²	63.4	89%	0.887	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-8.3	-176.7	-63.9	-172.3	178.6	-177	0	116
416	T	71.7	Confident	87.1	Confident	121 Å²	121	64.5 Å²	64.5	74%	0.742	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.5	-0.2	-167.1	55.2	0	0	0	0	115.8	K414	K414-T416 PolarHBondContact O-N 3.18Å; K414-T416 VanDerWaalsContact O-N 3.08Å
417	N	71.2	Confident	87	Confident	57 Å²	57	59.7 Å²	59.7	31%	0.305	31%	0.309	S	S	.	.			trans	-147.5	122.9	173.2	-173.5	5.2	0	0	0	109.5	K414 H419 E420	K414-N417 HydrophobicContact CD-CB 4.22Å; N417-H419 PolarHBondContact O-N 3.37Å; N417-H419 PolarHBondContact OD1-N 3.19Å; N417-E420 HydrophobicContact CB-CB 4.3Å; N417-E420 PolarHBondContact ND2-OE1 3Å; N417-E420 PolarHBondContact O-N 2.95Å
418	A	77.3	Confident	87	Confident	63 Å²	63	53.7 Å²	53.7	52%	0.521	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-18.3	-174.5	0	0	0	0	0	113.9	V398	V398-A418 WeakPolarHBondContact CG1-O 3.23Å
419	H	86.7	Confident	87	Confident	45 Å²	45	55 Å²	55	21%	0.208	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	17.3	-175.4	-39.4	-94.2	0	0	0	113.2	E395 N417 N433 V434 L435	E395-H419 IonicContact OE1-CE1 2.66Å; E395-H419 PolarHBondContact OE1-CE1 3.37Å; E395-H419 IonicContact OE1-ND1 3.21Å; N417-H419 PolarHBondContact O-N 3.37Å; N417-H419 PolarHBondContact OD1-N 3.19Å; H419-N433 CarbonylContact O-C 3.56Å; H419-N433 WeakPolarHBondContact O-CA 3.32Å; H419-N433 PolarHBondContact O-OD1 2.99Å; H419-V434 HydrophobicContact CB-CG2 3.83Å; H419-V434 WeakPolarHBondContact O-CG2 3.43Å; H419-V434 PolarHBondContact O-N 3.23Å; H419-L435 HydrophobicContact CB-CD2 4.43Å; H419-L435 HydrophobicContact CB-CG 4.07Å
420	E	91	Very high	87.2	Confident	18 Å²	18	47.7 Å²	47.7	8%	0.084	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	123.2	179.2	-90.1	179	-103.1	0	0	113	K414 N417 R431 Y432 N433	K414-E420 WeakPolarHBondContact CB-O 3.26Å; K414-E420 HydrophobicContact CD-CB 3.72Å; K414-E420 HydrophobicContact CD-CG 4.46Å; K414-E420 IonicContact NZ-OE1 2.63Å; K414-E420 PolarHBondContact NZ-OE1 2.8Å; K414-E420 IonicContact NZ-OE2 3.29Å; K414-E420 PolarHBondContact NZ-OE2 2.84Å; N417-E420 HydrophobicContact CB-CB 4.3Å; N417-E420 PolarHBondContact ND2-OE1 3Å; N417-E420 PolarHBondContact O-N 2.95Å; E420-R431 IonicContact OE2-CZ 3.64Å; E420-R431 IonicContact OE2-NH1 3.92Å; E420-R431 PolarHBondContact OE2-NH1 2.64Å; E420-Y432 VanDerWaalsContact CA-O 3.31Å; E420-Y432 WeakPolarHBondContact CA-O 3.46Å; E420-N433 HydrophobicContact CG-CB 4.5Å
421	F	92.6	Very high	87.2	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	167.3	161.1	66.2	-108.6	0	0	0	111.2	L323 I379 F397 V398 Y411 I423 Y432 V434 Y437	L323-F421 HydrophobicContact CD2-CZ 4.26Å; I379-F421 HydrophobicContact CG2-CZ 4.35Å; F397-F421 AromaticContact CE1-CE1 3.93Å; F397-F421 HydrophobicContact CE1-CE1 3.93Å; F397-F421 HydrophobicContact CZ-CE1 4.2Å; V398-F421 HydrophobicContact CG2-CD1 4.39Å; Y411-F421 HydrophobicContact CE2-CB 3.67Å; Y411-F421 HydrophobicContact CE2-CD2 4.05Å; Y411-F421 AromaticContact CE2-CG 3.86Å; Y411-F421 HydrophobicContact CE2-CG 3.86Å; Y411-F421 WeakPolarHBondContact OH-CB 3.32Å; F421-I423 HydrophobicContact CD2-CD1 4.3Å; F421-I423 HydrophobicContact CD2-CG1 3.95Å; F421-I423 HydrophobicContact CE2-CD1 3.69Å; F421-I423 HydrophobicContact CE2-CG1 3.83Å; F421-Y432 HydrophobicContact CD2-CD2 4.17Å; F421-Y432 AromaticContact CE2-CD2 3.65Å; F421-Y432 HydrophobicContact CE2-CD2 3.65Å; F421-Y432 AromaticContact CE2-CG 3.94Å; F421-Y432 HydrophobicContact CE2-CG 3.94Å; F421-Y432 HydrophobicContact CZ-CG 4.42Å; F421-Y432 PolarHBondContact N-O 2.82Å; F421-Y432 PolarHBondContact O-N 3.31Å; F421-V434 HydrophobicContact CD1-CG1 3.72Å; F421-V434 HydrophobicContact CE1-CG1 3.45Å; F421-V434 VanDerWaalsContact CE1-CG1 3.45Å; F421-V434 HydrophobicContact CZ-CG1 4.48Å; F421-Y437 HydrophobicContact CZ-CE2 4.36Å
422	T	93.6	Very high	87.1	Confident	15 Å²	15	51.4 Å²	51.4	9%	0.092	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	135	178.6	-58.1	0	0	0	0	110.4	I412 P429 L430 R431	I412-T422 HydrophobicContact CB-CG2 4.29Å; I412-T422 HydrophobicContact CD1-CG2 4.43Å; I412-T422 PolarHBondContact N-O 3.14Å; I412-T422 PolarHBondContact O-N 3.06Å; I412-T422 VanDerWaalsContact O-N 3.17Å; T422-P429 HydrophobicContact CG2-CB 3.83Å; T422-L430 CarbonylContact C-O 3.59Å; T422-L430 VanDerWaalsContact CA-O 3.25Å; T422-L430 WeakPolarHBondContact CA-O 3.48Å; T422-L430 WeakPolarHBondContact CG2-O 3.27Å; T422-R431 HydrophobicContact CG2-CG 4.44Å; T422-R431 WeakPolarHBondContact OG1-CG 3.35Å
423	I	95.4	Very high	87.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	134.4	175.4	-61.1	-179.9	0	0	0	109.8	L323 V368 L371 L372 I379 A410 F421 H425 P429 L430 Y432	L323-I423 HydrophobicContact CD1-CD1 4.11Å; V368-I423 HydrophobicContact CG1-CG2 3.76Å; L371-I423 HydrophobicContact CD2-CD1 4.48Å; L371-I423 HydrophobicContact CD2-CG1 4.28Å; L371-I423 HydrophobicContact CD2-CG2 4.09Å; L372-I423 HydrophobicContact CD2-CD1 3.74Å; I379-I423 HydrophobicContact CD1-CD1 3.73Å; I379-I423 HydrophobicContact CD1-CG1 4.38Å; A410-I423 WeakPolarHBondContact O-CA 3.46Å; F421-I423 HydrophobicContact CD2-CD1 4.3Å; F421-I423 HydrophobicContact CD2-CG1 3.95Å; F421-I423 HydrophobicContact CE2-CD1 3.69Å; F421-I423 HydrophobicContact CE2-CG1 3.83Å; I423-H425 PolarHBondContact O-CD2 2.7Å; I423-H425 PolarHBondContact O-N 3.18Å; I423-H425 VanDerWaalsContact O-N 3.14Å; I423-P429 WeakPolarHBondContact O-CA 3.32Å; I423-L430 PolarHBondContact N-O 3.36Å; I423-L430 PolarHBondContact O-N 3.07Å; I423-Y432 HydrophobicContact CB-CE2 4.19Å; I423-Y432 HydrophobicContact CD1-CD2 4.48Å; I423-Y432 HydrophobicContact CD1-CE2 4.31Å; I423-Y432 HydrophobicContact CG1-CD2 4.4Å; I423-Y432 HydrophobicContact CG1-CE2 4.35Å
424	Q	94.1	Very high	87.4	Confident	78 Å²	78	45 Å²	45	36%	0.364	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	78.3	176.6	-175.9	57.2	38.9	0	0	110.8	V368 A410 P429	V368-Q424 VanDerWaalsContact CG2-O 3.22Å; V368-Q424 WeakPolarHBondContact CG2-O 3.39Å; A410-Q424 PolarHBondContact O-N 2.9Å; Q424-P429 VanDerWaalsContact OE1-CD 3.29Å
425	H	94	Very high	88.1	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.009	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	166.5	175.6	-70.4	-84.7	0	0	0	112.5	F312 E330 I423 F427 G428 Y432	F312-H425 HydrophobicContact CE2-CB 3.97Å; F312-H425 HydrophobicContact CZ-CB 3.63Å; F312-H425 AromaticContact CZ-CG 3.88Å; E330-H425 WeakPolarHBondContact OE2-CB 3.41Å; E330-H425 IonicContact OE2-CE1 3.17Å; E330-H425 IonicContact OE2-CG 3.7Å; E330-H425 IonicContact OE2-ND1 2.74Å; E330-H425 PolarHBondContact OE2-ND1 2.96Å; I423-H425 PolarHBondContact O-CD2 2.7Å; I423-H425 PolarHBondContact O-N 3.18Å; I423-H425 VanDerWaalsContact O-N 3.14Å; H425-F427 PolarHBondContact O-N 3.25Å; H425-F427 VanDerWaalsContact O-N 3.09Å; H425-G428 PolarHBondContact N-O 3.35Å; H425-G428 PolarHBondContact O-N 2.9Å; H425-Y432 AromaticContact NE2-CE2 3.4Å; H425-Y432 WeakPolarHBondContact NE2-CE2 3.19Å; H425-Y432 AromaticContact NE2-CZ 3.53Å; H425-Y432 PolarHBondContact NE2-OH 3.36Å
426	F	90.5	Very high	88.7	Confident	38 Å²	38	36.8 Å²	36.8	17%	0.167	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-24	176.8	78.3	-84.7	0	0	0	114.5	F312 N329 E330 Q333 A531 L532	F312-F426 HydrophobicContact CD2-CD1 4.32Å; F312-F426 AromaticContact CD2-CE1 3.54Å; F312-F426 HydrophobicContact CD2-CE1 3.54Å; F312-F426 HydrophobicContact CD2-CZ 4.04Å; F312-F426 HydrophobicContact CE2-CD1 4.15Å; F312-F426 AromaticContact CE2-CE1 3.82Å; F312-F426 HydrophobicContact CE2-CE1 3.82Å; F312-F426 HydrophobicContact CG-CE1 4.4Å; F312-F426 HydrophobicContact CG-CZ 4.5Å; N329-F426 HydrophobicContact CB-CE1 4.48Å; E330-F426 WeakPolarHBondContact OE1-CD1 3.43Å; Q333-F426 HydrophobicContact CB-CD1 4.31Å; Q333-F426 HydrophobicContact CB-CE1 4.16Å; Q333-F426 HydrophobicContact CB-CZ 4.32Å; Q333-F426 HydrophobicContact CG-CB 4.46Å; Q333-F426 HydrophobicContact CG-CD1 4.24Å; Q333-F426 HydrophobicContact CG-CD2 4.1Å; Q333-F426 HydrophobicContact CG-CE1 4.44Å; Q333-F426 HydrophobicContact CG-CE2 4.31Å; Q333-F426 HydrophobicContact CG-CG 4.04Å; Q333-F426 HydrophobicContact CG-CZ 4.47Å; F426-A531 HydrophobicContact CD2-CB 4.21Å; F426-A531 WeakPolarHBondContact CD2-O 3.42Å; F426-L532 HydrophobicContact CE2-CD2 4.3Å
427	F	88.2	Confident	89.5	Confident	14 Å²	14	31 Å²	31	6%	0.061	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-8.9	174.2	-106.9	-75.4	0	0	0	115	F312 H425 Q527 Q528 A531 L532	F312-F427 HydrophobicContact CB-CD2 4Å; F312-F427 HydrophobicContact CB-CE2 4.13Å; F312-F427 HydrophobicContact CD1-CB 3.79Å; F312-F427 AromaticContact CD1-CD2 3.59Å; F312-F427 HydrophobicContact CD1-CD2 3.59Å; F312-F427 HydrophobicContact CD1-CE2 4.4Å; F312-F427 AromaticContact CD1-CG 3.78Å; F312-F427 HydrophobicContact CD1-CG 3.78Å; F312-F427 HydrophobicContact CD2-CD2 4.16Å; F312-F427 HydrophobicContact CE1-CB 3.38Å; F312-F427 HydrophobicContact CE1-CD2 4.08Å; F312-F427 AromaticContact CE1-CG 3.92Å; F312-F427 HydrophobicContact CE1-CG 3.92Å; F312-F427 HydrophobicContact CE2-CB 4.43Å; F312-F427 HydrophobicContact CG-CB 4.48Å; F312-F427 AromaticContact CG-CD2 3.64Å; F312-F427 HydrophobicContact CG-CD2 3.64Å; F312-F427 HydrophobicContact CG-CE2 4.28Å; F312-F427 HydrophobicContact CG-CG 4.3Å; F312-F427 HydrophobicContact CZ-CB 3.75Å; H425-F427 PolarHBondContact O-N 3.25Å; H425-F427 VanDerWaalsContact O-N 3.09Å; F427-Q527 PolarHBondContact O-NE2 2.97Å; F427-Q528 HydrophobicContact CE1-CB 4.33Å; F427-Q528 HydrophobicContact CE1-CG 3.74Å; F427-Q528 HydrophobicContact CZ-CB 4.49Å; F427-Q528 HydrophobicContact CZ-CG 4.08Å; F427-A531 HydrophobicContact CB-CB 4.49Å; F427-A531 HydrophobicContact CD1-CB 3.63Å; F427-A531 HydrophobicContact CD2-CB 4.04Å; F427-A531 HydrophobicContact CE1-CB 3.68Å; F427-A531 HydrophobicContact CE2-CB 4.09Å; F427-A531 HydrophobicContact CG-CB 3.81Å; F427-A531 HydrophobicContact CZ-CB 3.92Å; F427-L532 HydrophobicContact CE2-CD2 4.09Å; F427-L532 HydrophobicContact CE2-CG 4.46Å; F427-L532 HydrophobicContact CZ-CD2 4.28Å; F427-L532 HydrophobicContact CZ-CG 4.22Å
428	G	89.2	Confident	90.2	Very high	16 Å²	16	28.5 Å²	28.5	17%	0.165	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	121.3	178.6	-173.6	0	0	0	0	0	113.5	H425 L430	H425-G428 PolarHBondContact N-O 3.35Å; H425-G428 PolarHBondContact O-N 2.9Å; G428-L430 PolarHBondContact O-N 3.15Å
429	P	92	Very high	90.1	Very high	80 Å²	80	30 Å²	30	52%	0.519	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	124.8	-179.6	26.4	-31.9	0	0	0	111.7	T422 I423 Q424	T422-P429 HydrophobicContact CG2-CB 3.83Å; I423-P429 WeakPolarHBondContact O-CA 3.32Å; Q424-P429 VanDerWaalsContact OE1-CD 3.29Å
430	L	93.1	Very high	89.7	Confident	5 Å²	5	31.2 Å²	31.2	3%	0.026	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.9	173.1	-64.6	-172.6	0	0	0	111.4	F312 E313 C314 N326 T422 I423 G428 Y432	F312-L430 HydrophobicContact CE1-CD1 3.67Å; F312-L430 HydrophobicContact CE1-CG 4.39Å; F312-L430 HydrophobicContact CZ-CD1 3.54Å; F312-L430 HydrophobicContact CZ-CG 4.32Å; E313-L430 WeakPolarHBondContact O-CD1 3.32Å; C314-L430 HydrophobicContact CB-CD2 4.11Å; C314-L430 VanDerWaalsContact SG-CD2 3.59Å; N326-L430 WeakPolarHBondContact ND2-CD1 3.49Å; T422-L430 CarbonylContact C-O 3.59Å; T422-L430 VanDerWaalsContact CA-O 3.25Å; T422-L430 WeakPolarHBondContact CA-O 3.48Å; T422-L430 WeakPolarHBondContact CG2-O 3.27Å; I423-L430 PolarHBondContact N-O 3.36Å; I423-L430 PolarHBondContact O-N 3.07Å; G428-L430 PolarHBondContact O-N 3.15Å; L430-Y432 HydrophobicContact CB-CE2 3.88Å
431	R	92.8	Very high	89.4	Confident	91 Å²	91	30.3 Å²	30.3	34%	0.343	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	127.1	173.6	-62.9	-172	-65.6	138.9	-3.7	110.5	K316 N318 E420 T422	K316-R431 VanDerWaalsContact O-CZ 3.24Å; K316-R431 PolarHBondContact O-NE 2.76Å; K316-R431 PolarHBondContact O-NH2 3.02Å; N318-R431 WeakPolarHBondContact CB-O 2.98Å; N318-R431 PolarHBondContact N-O 2.75Å; N318-R431 PolarHBondContact ND2-O 3.48Å; E420-R431 IonicContact OE2-CZ 3.64Å; E420-R431 IonicContact OE2-NH1 3.92Å; E420-R431 PolarHBondContact OE2-NH1 2.64Å; T422-R431 HydrophobicContact CG2-CG 4.44Å; T422-R431 WeakPolarHBondContact OG1-CG 3.35Å
432	Y	93.9	Very high	88.7	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131.7	175.1	-67.8	-79	0	0	0	109.7	N318 Q322 L323 N326 E420 F421 I423 H425 L430 Y437	N318-Y432 HydrophobicContact CB-CD1 3.65Å; N318-Y432 HydrophobicContact CB-CE1 3.69Å; N318-Y432 CarbonylContact O-C 3.59Å; N318-Y432 WeakPolarHBondContact O-CA 3.17Å; Q322-Y432 HydrophobicContact CB-CE1 4.21Å; L323-Y432 HydrophobicContact CB-CD1 3.96Å; L323-Y432 HydrophobicContact CB-CE1 3.74Å; L323-Y432 HydrophobicContact CD1-CD1 4.39Å; L323-Y432 HydrophobicContact CD1-CD2 4.44Å; L323-Y432 HydrophobicContact CD1-CE1 4.01Å; L323-Y432 HydrophobicContact CD1-CE2 4.05Å; L323-Y432 HydrophobicContact CG-CE1 4.48Å; N326-Y432 PolarHBondContact ND2-OH 2.9Å; N326-Y432 VanDerWaalsContact ND2-OH 3.09Å; E420-Y432 VanDerWaalsContact CA-O 3.31Å; E420-Y432 WeakPolarHBondContact CA-O 3.46Å; F421-Y432 HydrophobicContact CD2-CD2 4.17Å; F421-Y432 AromaticContact CE2-CD2 3.65Å; F421-Y432 HydrophobicContact CE2-CD2 3.65Å; F421-Y432 AromaticContact CE2-CG 3.94Å; F421-Y432 HydrophobicContact CE2-CG 3.94Å; F421-Y432 HydrophobicContact CZ-CG 4.42Å; F421-Y432 PolarHBondContact N-O 2.82Å; F421-Y432 PolarHBondContact O-N 3.31Å; I423-Y432 HydrophobicContact CB-CE2 4.19Å; I423-Y432 HydrophobicContact CD1-CD2 4.48Å; I423-Y432 HydrophobicContact CD1-CE2 4.31Å; I423-Y432 HydrophobicContact CG1-CD2 4.4Å; I423-Y432 HydrophobicContact CG1-CE2 4.35Å; H425-Y432 AromaticContact NE2-CE2 3.4Å; H425-Y432 WeakPolarHBondContact NE2-CE2 3.19Å; H425-Y432 AromaticContact NE2-CZ 3.53Å; H425-Y432 PolarHBondContact NE2-OH 3.36Å; L430-Y432 HydrophobicContact CB-CE2 3.88Å; Y432-Y437 WeakPolarHBondContact CD1-OH 3.46Å
433	N	92	Very high	87.4	Confident	40 Å²	40	36.5 Å²	36.5	21%	0.214	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	120.4	170.3	174.8	7	0	0	0	108	T317 N318 H419 E420 L435 Y437	T317-N433 HydrophobicContact CG2-CB 3.62Å; N318-N433 PolarHBondContact O-N 3.33Å; H419-N433 CarbonylContact O-C 3.56Å; H419-N433 WeakPolarHBondContact O-CA 3.32Å; H419-N433 PolarHBondContact O-OD1 2.99Å; E420-N433 HydrophobicContact CG-CB 4.5Å; N433-L435 VanDerWaalsContact C-N 3.34Å; N433-L435 PolarHBondContact O-N 3.17Å; N433-L435 WeakPolarHBondContact OD1-CG 3.08Å; N433-L435 PolarHBondContact OD1-N 3.22Å; N433-Y437 WeakPolarHBondContact O-CE1 3.34Å
434	V	92	Very high	85.9	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.188	C	C	.	.			trans	-80.8	-4.9	-171.9	-61.7	0	0	0	0	115.1	D394 F397 V398 H419 F421 G436 Y437	D394-V434 HydrophobicContact CB-CB 4.23Å; D394-V434 HydrophobicContact CB-CG2 3.75Å; F397-V434 HydrophobicContact CD1-CB 4.31Å; F397-V434 HydrophobicContact CD1-CG1 4.06Å; F397-V434 HydrophobicContact CE1-CB 4.42Å; F397-V434 HydrophobicContact CE1-CG1 3.81Å; V398-V434 HydrophobicContact CG2-CB 4.02Å; V398-V434 HydrophobicContact CG2-CG1 3.56Å; V398-V434 HydrophobicContact CG2-CG2 3.38Å; H419-V434 HydrophobicContact CB-CG2 3.83Å; H419-V434 WeakPolarHBondContact O-CG2 3.43Å; H419-V434 PolarHBondContact O-N 3.23Å; F421-V434 HydrophobicContact CD1-CG1 3.72Å; F421-V434 HydrophobicContact CE1-CG1 3.45Å; F421-V434 VanDerWaalsContact CE1-CG1 3.45Å; F421-V434 HydrophobicContact CZ-CG1 4.48Å; V434-G436 PolarHBondContact O-N 3.32Å; V434-G436 VanDerWaalsContact O-N 3.13Å; V434-Y437 VanDerWaalsContact C-CD1 3.41Å; V434-Y437 VanDerWaalsContact CA-CD1 3.42Å; V434-Y437 HydrophobicContact CB-CD1 4.22Å; V434-Y437 HydrophobicContact CB-CD2 4.27Å; V434-Y437 HydrophobicContact CB-CG 4.06Å; V434-Y437 HydrophobicContact CG1-CD2 4.14Å; V434-Y437 HydrophobicContact CG1-CE2 4.17Å; V434-Y437 HydrophobicContact CG1-CG 4.43Å; V434-Y437 WeakPolarHBondContact O-CB 3.24Å; V434-Y437 WeakPolarHBondContact O-CD1 3.4Å; V434-Y437 PolarHBondContact O-N 3.36Å
435	L	88.8	Confident	84.1	Confident	81 Å²	81	38.4 Å²	38.4	42%	0.424	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	118.5	-174	-72.2	168.6	0	0	0	112.9	H419 N433 R440	H419-L435 HydrophobicContact CB-CD2 4.43Å; H419-L435 HydrophobicContact CB-CG 4.07Å; N433-L435 VanDerWaalsContact C-N 3.34Å; N433-L435 PolarHBondContact O-N 3.17Å; N433-L435 WeakPolarHBondContact OD1-CG 3.08Å; N433-L435 PolarHBondContact OD1-N 3.22Å; L435-R440 PolarHBondContact O-NH2 3.28Å
436	G	82.7	Confident	82.5	Confident	9 Å²	9	40 Å²	40	9%	0.093	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	20.5	-172.8	0	0	0	0	0	114.6	D394 V434 R440	D394-G436 WeakPolarHBondContact OD2-CA 3.17Å; D394-G436 PolarHBondContact OD2-N 3.45Å; V434-G436 PolarHBondContact O-N 3.32Å; V434-G436 VanDerWaalsContact O-N 3.13Å; G436-R440 WeakPolarHBondContact O-CB 3.15Å; G436-R440 WeakPolarHBondContact O-CD 3.38Å; G436-R440 WeakPolarHBondContact O-CG 3.43Å; G436-R440 PolarHBondContact O-N 3.19Å; G436-R440 VanDerWaalsContact O-N 3.07Å; G436-R440 PolarHBondContact O-NE 3.34Å
437	Y	88.6	Confident	81.1	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-73.3	-46.1	-179.8	-93.3	40.7	0	0	0	112.2	T319 F320 L323 L383 D394 F397 F421 Y432 N433 V434 E439 N441	T319-Y437 VanDerWaalsContact C-OH 3.31Å; T319-Y437 PolarHBondContact O-OH 3.38Å; F320-Y437 VanDerWaalsContact CA-CE1 3.46Å; F320-Y437 HydrophobicContact CB-CD1 3.74Å; F320-Y437 HydrophobicContact CB-CE1 3.65Å; F320-Y437 HydrophobicContact CB-CG 4.3Å; F320-Y437 HydrophobicContact CD2-CD2 4.22Å; F320-Y437 HydrophobicContact CD2-CE2 4.44Å; F320-Y437 HydrophobicContact CD2-CG 4.28Å; F320-Y437 PolarHBondContact N-OH 2.71Å; L323-Y437 HydrophobicContact CD2-CE2 3.69Å; L383-Y437 HydrophobicContact CD2-CD2 4.1Å; D394-Y437 WeakPolarHBondContact OD1-CA 3.39Å; D394-Y437 WeakPolarHBondContact OD1-CB 3.4Å; D394-Y437 PolarHBondContact OD1-N 3.39Å; F397-Y437 HydrophobicContact CD1-CD2 4.46Å; F397-Y437 AromaticContact CE1-CD2 3.67Å; F397-Y437 HydrophobicContact CE1-CD2 3.67Å; F397-Y437 HydrophobicContact CE1-CE2 4.32Å; F397-Y437 HydrophobicContact CE1-CG 4.49Å; F397-Y437 HydrophobicContact CZ-CD2 4.36Å; F421-Y437 HydrophobicContact CZ-CE2 4.36Å; Y432-Y437 WeakPolarHBondContact CD1-OH 3.46Å; N433-Y437 WeakPolarHBondContact O-CE1 3.34Å; V434-Y437 VanDerWaalsContact C-CD1 3.41Å; V434-Y437 VanDerWaalsContact CA-CD1 3.42Å; V434-Y437 HydrophobicContact CB-CD1 4.22Å; V434-Y437 HydrophobicContact CB-CD2 4.27Å; V434-Y437 HydrophobicContact CB-CG 4.06Å; V434-Y437 HydrophobicContact CG1-CD2 4.14Å; V434-Y437 HydrophobicContact CG1-CE2 4.17Å; V434-Y437 HydrophobicContact CG1-CG 4.43Å; V434-Y437 WeakPolarHBondContact O-CB 3.24Å; V434-Y437 WeakPolarHBondContact O-CD1 3.4Å; V434-Y437 PolarHBondContact O-N 3.36Å; Y437-E439 VanDerWaalsContact C-N 3.34Å; Y437-N441 VanDerWaalsContact O-CB 3.24Å; Y437-N441 WeakPolarHBondContact O-CB 3.15Å; Y437-N441 PolarHBondContact O-N 3.06Å
438	V	86	Confident	79.9	Confident	4 Å²	4	47 Å²	47	2%	0.024	25%	0.247	C	C	.	.	H	α-helix	trans	-63.6	-42.9	-179.5	176.3	0	0	0	0	110.3	L383 E386 C387 D394 F397 R442	L383-V438 HydrophobicContact CD1-CG2 4.05Å; E386-V438 HydrophobicContact CB-CG2 4.03Å; E386-V438 HydrophobicContact CG-CG2 3.92Å; C387-V438 PolarHBondContact SG-O 2.69Å; C387-V438 VanDerWaalsContact SG-O 3.35Å; D394-V438 WeakPolarHBondContact OD1-CG2 3.43Å; D394-V438 PolarHBondContact OD1-N 3.23Å; F397-V438 HydrophobicContact CB-CG2 4.42Å; V438-R442 WeakPolarHBondContact O-CG 3.39Å; V438-R442 PolarHBondContact O-N 3.46Å
439	E	76	Confident	78.8	Confident	95 Å²	95	47.5 Å²	47.5	44%	0.444	25%	0.246	S	C	.	.	H	α-helix	trans	-63.7	-55.9	175.6	-64.9	168.9	167.3	0	0	111.6	Y437 N441 R442	Y437-E439 VanDerWaalsContact C-N 3.34Å; E439-N441 PolarHBondContact O-N 2.77Å; E439-N441 VanDerWaalsContact O-N 3.13Å; E439-R442 WeakPolarHBondContact O-CB 3.28Å; E439-R442 PolarHBondContact O-N 3.08Å; E439-R442 VanDerWaalsContact O-N 3.07Å
440	R	77.7	Confident	77.6	Confident	69 Å²	69	43.8 Å²	43.8	26%	0.26	22%	0.222	S	C	.	.	H	α-helix	trans	-62.8	-24	-177.8	-70.6	177.9	-128.2	-165.8	2.5	113.7	F125 F320 E321 L435 G436	F125-R440 HydrophobicContact CD1-CB 4.24Å; F125-R440 HydrophobicContact CD1-CG 4.14Å; F125-R440 HydrophobicContact CE1-CB 3.87Å; F125-R440 HydrophobicContact CE1-CG 4.14Å; F125-R440 VanDerWaalsContact CE1-O 3.26Å; F125-R440 WeakPolarHBondContact CE1-O 3.32Å; F125-R440 WeakPolarHBondContact CZ-O 3.46Å; F320-R440 HydrophobicContact CD1-CB 3.7Å; F320-R440 HydrophobicContact CE1-CB 4.07Å; F320-R440 HydrophobicContact CG-CB 4.27Å; E321-R440 WeakPolarHBondContact OE1-CD 3.47Å; E321-R440 IonicContact OE1-CZ 2.72Å; E321-R440 IonicContact OE1-NE 3.97Å; E321-R440 IonicContact OE1-NH1 3.71Å; E321-R440 PolarHBondContact OE1-NH1 3.06Å; E321-R440 IonicContact OE2-NH1 2.66Å; E321-R440 PolarHBondContact OE2-NH1 3.45Å; L435-R440 PolarHBondContact O-NH2 3.28Å; G436-R440 WeakPolarHBondContact O-CB 3.15Å; G436-R440 WeakPolarHBondContact O-CD 3.38Å; G436-R440 WeakPolarHBondContact O-CG 3.43Å; G436-R440 PolarHBondContact O-N 3.19Å; G436-R440 VanDerWaalsContact O-N 3.07Å; G436-R440 PolarHBondContact O-NE 3.34Å
441	N	84.2	Confident	76.3	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-88.4	-16.1	178.2	-169.3	43.5	0	0	0	113.8	F320 L383 C387 Y437 E439 T482 V483 T484	F320-N441 HydrophobicContact CE1-CB 4.49Å; F320-N441 HydrophobicContact CE2-CB 3.83Å; F320-N441 HydrophobicContact CZ-CB 3.67Å; L383-N441 HydrophobicContact CD2-CB 3.96Å; L383-N441 HydrophobicContact CG-CB 4.18Å; C387-N441 PolarHBondContact SG-ND2 3.23Å; C387-N441 VanDerWaalsContact SG-ND2 3.37Å; Y437-N441 VanDerWaalsContact O-CB 3.24Å; Y437-N441 WeakPolarHBondContact O-CB 3.15Å; Y437-N441 PolarHBondContact O-N 3.06Å; E439-N441 PolarHBondContact O-N 2.77Å; E439-N441 VanDerWaalsContact O-N 3.13Å; N441-T482 WeakPolarHBondContact O-CA 3.33Å; N441-T482 VanDerWaalsContact O-CB 3.31Å; N441-T482 WeakPolarHBondContact O-CB 3.38Å; N441-T482 WeakPolarHBondContact OD1-CB 3.44Å; N441-V483 PolarHBondContact O-N 2.97Å; N441-V483 VanDerWaalsContact O-N 3.11Å; N441-V483 PolarHBondContact OD1-N 2.99Å; N441-T484 PolarHBondContact ND2-OG1 3.14Å; N441-T484 WeakPolarHBondContact OD1-CG2 3.43Å; N441-T484 PolarHBondContact OD1-N 3.38Å; N441-T484 PolarHBondContact OD1-OG1 3.37Å
442	R	77.2	Confident	75.2	Confident	84 Å²	84	47.8 Å²	47.8	32%	0.317	24%	0.243	S	C	.	.			trans	-66.9	140.8	166.5	-74.8	171.4	175.9	152.9	5.8	109.7	C387 V438 E439	C387-R442 HydrophobicContact CB-CG 3.94Å; C387-R442 PolarHBondContact O-NE 3.2Å; C387-R442 PolarHBondContact O-NH2 2.89Å; V438-R442 WeakPolarHBondContact O-CG 3.39Å; V438-R442 PolarHBondContact O-N 3.46Å; E439-R442 WeakPolarHBondContact O-CB 3.28Å; E439-R442 PolarHBondContact O-N 3.08Å; E439-R442 VanDerWaalsContact O-N 3.07Å
443	Q	67.5	Low	74	Confident	61 Å²	61	47.8 Å²	47.8	29%	0.285	24%	0.243	S	C	.	.			trans	-123	102.1	178.7	-165.4	-178.5	7.2	0	0	110.6	S481	Q443-S481 VanDerWaalsContact CB-O 3.26Å; Q443-S481 WeakPolarHBondContact CB-O 3.42Å; Q443-S481 PolarHBondContact OE1-O 3.31Å
444	F	63.9	Low	72.8	Confident	52 Å²	52	46 Å²	46	23%	0.228	23%	0.234	C	C	.	.			trans	-71.6	127.4	166.2	-68.9	-88.4	0	0	0	109.3	R267 D270 M271 A274	R267-F444 HydrophobicContact CG-CE1 3.99Å; R267-F444 HydrophobicContact CG-CZ 4Å; D270-F444 HydrophobicContact CB-CD2 3.77Å; D270-F444 HydrophobicContact CB-CE2 3.59Å; D270-F444 HydrophobicContact CB-CZ 4.34Å; D270-F444 WeakPolarHBondContact OD2-CE2 3.31Å; M271-F444 HydrophobicContact CG-CD1 4.23Å; A274-F444 HydrophobicContact CB-CB 3.77Å
445	A	56.4	Low	71.7	Confident	65 Å²	65	49.5 Å²	49.5	54%	0.537	26%	0.258	S	S	.	.			trans	-114.3	58.8	-159.3	0	0	0	0	0	113.4	G447	A445-G447 PolarHBondContact O-N 3.38Å
446	N	60.9	Low	70.7	Confident	35 Å²	35	50.3 Å²	50.3	19%	0.187	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	23.5	-178.7	-67.6	0.2	0	0	0	114.5	Q448 L449 V450	N446-Q448 PolarHBondContact O-N 3.22Å; N446-Q448 VanDerWaalsContact O-N 3.16Å; N446-L449 WeakPolarHBondContact O-CB 3.32Å; N446-L449 PolarHBondContact O-N 3Å; N446-L449 VanDerWaalsContact O-N 3.15Å; N446-V450 PolarHBondContact O-N 3.46Å
447	G	59.5	Low	69.9	Low	34 Å²	34	50.1 Å²	50.1	35%	0.351	26%	0.257	S	S	.	.	H	α-helix	trans	-63.6	-21.5	-174.3	0	0	0	0	0	114.8	A445 K451	A445-G447 PolarHBondContact O-N 3.38Å; G447-K451 WeakPolarHBondContact O-CB 3.46Å; G447-K451 VanDerWaalsContact O-CG 3.31Å; G447-K451 WeakPolarHBondContact O-CG 3.28Å; G447-K451 PolarHBondContact O-N 2.85Å; G447-K451 VanDerWaalsContact O-N 3.16Å
448	Q	63.5	Low	68.8	Low	165 Å²	165	59 Å²	59	77%	0.771	30%	0.295	S	S	*	.	H	α-helix	trans	-76.8	-43.3	174	-168.2	164.8	-9	0	0	111.6	N446 K451 Q452	N446-Q448 PolarHBondContact O-N 3.22Å; N446-Q448 VanDerWaalsContact O-N 3.16Å; Q448-K451 PolarHBondContact O-N 2.92Å; Q448-Q452 PolarHBondContact O-N 3.34Å
449	L	66.5	Low	67.7	Low	27 Å²	27	59.2 Å²	59.2	14%	0.141	30%	0.296	C	S	.	.	H	α-helix	trans	-61.4	-45.4	173.3	-179.5	65.4	0	0	0	111.3	M247 Q255 L275 N446 K451 Q452 M453	M247-L449 HydrophobicContact CE-CD1 4.42Å; Q255-L449 HydrophobicContact CG-CD1 4.2Å; L275-L449 HydrophobicContact CD1-CD2 4.47Å; N446-L449 WeakPolarHBondContact O-CB 3.32Å; N446-L449 PolarHBondContact O-N 3Å; N446-L449 VanDerWaalsContact O-N 3.15Å; L449-K451 PolarHBondContact O-N 2.89Å; L449-Q452 WeakPolarHBondContact O-CB 3.44Å; L449-Q452 PolarHBondContact O-N 3.3Å; L449-Q452 VanDerWaalsContact O-N 3.11Å; L449-M453 HydrophobicContact CD1-CE 4.01Å; L449-M453 HydrophobicContact CD2-CE 3.89Å; L449-M453 HydrophobicContact CG-CE 3.66Å; L449-M453 HydrophobicContact CG-SD 4.18Å; L449-M453 WeakPolarHBondContact O-CG 3.28Å; L449-M453 PolarHBondContact O-N 2.69Å
450	V	67.4	Low	66.8	Low	2 Å²	2	60.9 Å²	60.9	1%	0.012	31%	0.308	C	S	.	.	H	α-helix	trans	-63.3	-38.5	177.2	171.3	0	0	0	0	112.4	L275 E278 L279 N446 Q452 M453 L454	L275-V450 HydrophobicContact CD1-CG2 3.53Å; E278-V450 HydrophobicContact CB-CG2 4.05Å; L279-V450 HydrophobicContact CD2-CG1 4.2Å; L279-V450 HydrophobicContact CD2-CG2 4.44Å; L279-V450 HydrophobicContact CG-CG2 4.29Å; N446-V450 PolarHBondContact O-N 3.46Å; V450-Q452 VanDerWaalsContact C-N 3.32Å; V450-Q452 PolarHBondContact O-N 3.48Å; V450-M453 HydrophobicContact CG2-SD 4.5Å; V450-L454 HydrophobicContact CG1-CD1 3.75Å; V450-L454 HydrophobicContact CG1-CG 4.44Å; V450-L454 WeakPolarHBondContact O-CB 3.44Å; V450-L454 VanDerWaalsContact O-CG 3.32Å; V450-L454 WeakPolarHBondContact O-CG 3.13Å; V450-L454 PolarHBondContact O-N 3.25Å
451	K	65.3	Low	65.7	Low	73 Å²	73	58.9 Å²	58.9	32%	0.317	30%	0.303	S	S	.	.	H	α-helix	trans	-63.1	-39.4	172.2	-81.3	-177.6	174.3	-165.9	0	111.9	G447 Q448 L449 S455 V464	G447-K451 WeakPolarHBondContact O-CB 3.46Å; G447-K451 VanDerWaalsContact O-CG 3.31Å; G447-K451 WeakPolarHBondContact O-CG 3.28Å; G447-K451 PolarHBondContact O-N 2.85Å; G447-K451 VanDerWaalsContact O-N 3.16Å; Q448-K451 PolarHBondContact O-N 2.92Å; L449-K451 PolarHBondContact O-N 2.89Å; K451-S455 WeakPolarHBondContact O-CB 3.48Å; K451-S455 PolarHBondContact O-N 2.83Å; K451-V464 WeakPolarHBondContact CE-O 3.48Å; K451-V464 PolarHBondContact NZ-O 3.37Å
452	Q	68.3	Low	63.8	Low	107 Å²	107	61.9 Å²	61.9	50%	0.5	33%	0.328	S	S	.	.	H	α-helix	trans	-65.2	-48.5	177.9	-156.7	163.1	-8.9	0	0	111.6	Q448 L449 V450 L454 S455 Q456	Q448-Q452 PolarHBondContact O-N 3.34Å; L449-Q452 WeakPolarHBondContact O-CB 3.44Å; L449-Q452 PolarHBondContact O-N 3.3Å; L449-Q452 VanDerWaalsContact O-N 3.11Å; V450-Q452 VanDerWaalsContact C-N 3.32Å; V450-Q452 PolarHBondContact O-N 3.48Å; Q452-L454 PolarHBondContact O-N 3.27Å; Q452-S455 PolarHBondContact O-N 2.75Å; Q452-S455 PolarHBondContact O-OG 2.92Å; Q452-Q456 PolarHBondContact O-N 3.23Å
453	M	69.5	Low	62.2	Low	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-50.9	-53.8	171.1	-73.9	160.3	173.7	0	0	112.7	L245 M247 L252 L275 L279 L449 V450 S455 Q456 M457	L245-M453 HydrophobicContact CD1-CE 3.97Å; L245-M453 HydrophobicContact CD1-SD 4.23Å; M247-M453 HydrophobicContact CG-CG 4.49Å; M247-M453 HydrophobicContact SD-CB 4.48Å; M247-M453 HydrophobicContact SD-CE 3.57Å; M247-M453 VanDerWaalsContact SD-CE 3.57Å; M247-M453 HydrophobicContact SD-CG 3.33Å; M247-M453 WeakPolarHBondContact SD-CG 3.44Å; M247-M453 HydrophobicContact SD-SD 4.33Å; L252-M453 HydrophobicContact CD1-CE 3.47Å; L252-M453 VanDerWaalsContact CD1-CE 3.47Å; L275-M453 HydrophobicContact CD1-CE 4.05Å; L275-M453 HydrophobicContact CD1-SD 3.89Å; L275-M453 HydrophobicContact CD2-CE 4.21Å; L279-M453 HydrophobicContact CD2-SD 4.22Å; L449-M453 HydrophobicContact CD1-CE 4.01Å; L449-M453 HydrophobicContact CD2-CE 3.89Å; L449-M453 HydrophobicContact CG-CE 3.66Å; L449-M453 HydrophobicContact CG-SD 4.18Å; L449-M453 WeakPolarHBondContact O-CG 3.28Å; L449-M453 PolarHBondContact O-N 2.69Å; V450-M453 HydrophobicContact CG2-SD 4.5Å; M453-S455 VanDerWaalsContact C-N 3.32Å; M453-S455 PolarHBondContact O-N 3.24Å; M453-Q456 PolarHBondContact O-N 3.41Å; M453-M457 PolarHBondContact O-N 3.04Å
454	L	67.4	Low	61	Low	4 Å²	4	60.2 Å²	60.2	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-70.1	-28.3	-174	-68.6	169.5	0	0	0	113	L206 T282 V450 Q452 Q456 M457 L459 T461	L206-L454 HydrophobicContact CD1-CD2 3.69Å; L206-L454 HydrophobicContact CD2-CD2 3.81Å; L206-L454 HydrophobicContact CG-CD2 4.39Å; T282-L454 HydrophobicContact CG2-CD1 3.34Å; V450-L454 HydrophobicContact CG1-CD1 3.75Å; V450-L454 HydrophobicContact CG1-CG 4.44Å; V450-L454 WeakPolarHBondContact O-CB 3.44Å; V450-L454 VanDerWaalsContact O-CG 3.32Å; V450-L454 WeakPolarHBondContact O-CG 3.13Å; V450-L454 PolarHBondContact O-N 3.25Å; Q452-L454 PolarHBondContact O-N 3.27Å; L454-Q456 VanDerWaalsContact C-N 3.34Å; L454-M457 PolarHBondContact O-N 2.82Å; L454-L459 HydrophobicContact CD2-CD1 4.03Å; L454-L459 PolarHBondContact O-N 2.7Å; L454-T461 HydrophobicContact CD1-CG2 4.39Å
455	S	68.7	Low	59.7	Low	73 Å²	73	63.4 Å²	63.4	51%	0.51	35%	0.35	S	S	.	.	H	α-helix	trans	-61.7	-40	171.7	78.6	0	0	0	0	112.4	K451 Q452 M453 M457 K458	K451-S455 WeakPolarHBondContact O-CB 3.48Å; K451-S455 PolarHBondContact O-N 2.83Å; Q452-S455 PolarHBondContact O-N 2.75Å; Q452-S455 PolarHBondContact O-OG 2.92Å; M453-S455 VanDerWaalsContact C-N 3.32Å; M453-S455 PolarHBondContact O-N 3.24Å; S455-M457 VanDerWaalsContact C-N 3.31Å; S455-M457 PolarHBondContact O-N 2.85Å; S455-K458 PolarHBondContact O-N 2.85Å
456	Q	67.3	Low	58.7	Low	97 Å²	97	65.9 Å²	65.9	45%	0.453	36%	0.359	S	S	.	.	H	α-helix	trans	-68.3	-32.5	177.6	-68.6	174.7	-50	0	0	111.3	Q452 M453 L454 K458	Q452-Q456 PolarHBondContact O-N 3.23Å; M453-Q456 PolarHBondContact O-N 3.41Å; L454-Q456 VanDerWaalsContact C-N 3.34Å; Q456-K458 PolarHBondContact O-N 2.88Å; Q456-K458 VanDerWaalsContact O-N 3.17Å
457	M	66.7	Low	57.6	Low	6 Å²	6	69.7 Å²	69.7	3%	0.03	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-1.3	174.3	-64.9	-150.6	-178.4	0	0	115.6	L206 L244 L245 M453 L454 S455 L459	L206-M457 HydrophobicContact CD1-SD 4.04Å; L206-M457 HydrophobicContact CD2-CE 3.49Å; L206-M457 VanDerWaalsContact CD2-CE 3.49Å; L206-M457 HydrophobicContact CD2-SD 3.71Å; L206-M457 HydrophobicContact CG-CE 3.94Å; L206-M457 HydrophobicContact CG-SD 3.66Å; L244-M457 VanDerWaalsContact O-CE 3.31Å; L244-M457 WeakPolarHBondContact O-CE 3.5Å; L245-M457 HydrophobicContact CB-CE 4.45Å; L245-M457 HydrophobicContact CD2-CE 3.75Å; M453-M457 PolarHBondContact O-N 3.04Å; L454-M457 PolarHBondContact O-N 2.82Å; S455-M457 VanDerWaalsContact C-N 3.31Å; S455-M457 PolarHBondContact O-N 2.85Å; M457-L459 HydrophobicContact CB-CD1 4.26Å; M457-L459 HydrophobicContact CB-CG 4.35Å; M457-L459 PolarHBondContact O-N 3.04Å; M457-L459 HydrophobicContact SD-CD1 4.39Å
458	K	66	Low	56.4	Low	187 Å²	187	70.4 Å²	70.4	81%	0.813	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	15.5	-172.9	-50.6	177.9	-177.4	175.4	0	114.6	S455 Q456 N460	S455-K458 PolarHBondContact O-N 2.85Å; Q456-K458 PolarHBondContact O-N 2.88Å; Q456-K458 VanDerWaalsContact O-N 3.17Å; K458-N460 PolarHBondContact O-N 3.34Å; K458-N460 VanDerWaalsContact O-N 3.16Å
459	L	62.5	Low	54.9	Low	8 Å²	8	68.2 Å²	68.2	4%	0.042	37%	0.368	C	S	.	.			trans	-82.3	90.4	172.2	-72.2	168.7	0	0	0	108.5	C202 L206 W286 L454 M457 T461	C202-L459 HydrophobicContact CB-CD1 4.24Å; C202-L459 HydrophobicContact CB-CD2 4.49Å; C202-L459 HydrophobicContact CB-CG 4.44Å; L206-L459 HydrophobicContact CD1-CD1 3.46Å; L206-L459 VanDerWaalsContact CD1-CD1 3.46Å; W286-L459 HydrophobicContact CD2-CD2 3.97Å; W286-L459 HydrophobicContact CE3-CD2 4.46Å; W286-L459 HydrophobicContact CG-CD2 4.46Å; W286-L459 HydrophobicContact CH2-CD2 4.3Å; W286-L459 HydrophobicContact CZ2-CD2 3.75Å; L454-L459 HydrophobicContact CD2-CD1 4.03Å; L454-L459 PolarHBondContact O-N 2.7Å; M457-L459 HydrophobicContact CB-CD1 4.26Å; M457-L459 HydrophobicContact CB-CG 4.35Å; M457-L459 PolarHBondContact O-N 3.04Å; M457-L459 HydrophobicContact SD-CD1 4.39Å; L459-T461 PolarHBondContact O-N 3.04Å
460	N	56.3	Low	53.4	Low	130 Å²	130	73.2 Å²	73.2	70%	0.695	39%	0.39	S	S	*	.			trans	-64.4	89.8	179.5	-80.8	3.8	0	0	0	111.8	K458 A462	K458-N460 PolarHBondContact O-N 3.34Å; K458-N460 VanDerWaalsContact O-N 3.16Å; N460-A462 PolarHBondContact O-N 3.31Å; N460-A462 VanDerWaalsContact O-N 3.08Å
461	T	53.8	Low	52	Low	26 Å²	26	79.6 Å²	79.6	16%	0.16	42%	0.418	C	S	.	.			trans	-79.7	32.4	176.6	56.3	0	0	0	0	113.3	T282 L454 L459 S463 V464	T282-T461 HydrophobicContact CG2-CG2 3.99Å; L454-T461 HydrophobicContact CD1-CG2 4.39Å; L459-T461 PolarHBondContact O-N 3.04Å; T461-S463 PolarHBondContact O-N 3.4Å; T461-V464 PolarHBondContact O-N 3.49Å
462	A	45.1	Very low	50.4	Low	63 Å²	63	83.7 Å²	83.7	52%	0.521	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	23	-178.8	0	0	0	0	0	114.3	N460 E465	N460-A462 PolarHBondContact O-N 3.31Å; N460-A462 VanDerWaalsContact O-N 3.08Å; A462-E465 VanDerWaalsContact CA-OE1 3.28Å; A462-E465 WeakPolarHBondContact CA-OE1 3.37Å; A462-E465 WeakPolarHBondContact CB-OE1 3.23Å
463	S	43.5	Very low	48.6	Very low	61 Å²	61	86.5 Å²	86.5	43%	0.427	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117	-4.9	171.5	-30.2	0	0	0	0	111.7	S289 T461	S289-S463 PolarHBondContact OG-OG 2.87Å; T461-S463 PolarHBondContact O-N 3.4Å
464	V	42.5	Very low	46.6	Very low	50 Å²	50	88.7 Å²	88.7	30%	0.303	47%	0.471	S	S	.	.	S	Bend	trans	-104.7	34.4	-179.2	-160.4	0	0	0	0	110	K451 T461	K451-V464 WeakPolarHBondContact CE-O 3.48Å; K451-V464 PolarHBondContact NZ-O 3.37Å; T461-V464 PolarHBondContact O-N 3.49Å
465	E	37.1	Very low	44.8	Very low	118 Å²	118	90.7 Å²	90.7	55%	0.551	49%	0.493	S	S	*	.			trans	-91.5	-37.4	-171.1	-63	-174.9	168.2	0	0	111.9	A462 E467 A468	A462-E465 VanDerWaalsContact CA-OE1 3.28Å; A462-E465 WeakPolarHBondContact CA-OE1 3.37Å; A462-E465 WeakPolarHBondContact CB-OE1 3.23Å; E465-E467 PolarHBondContact O-N 2.94Å; E465-A468 PolarHBondContact O-N 2.74Å
466	T	35	Very low	42.9	Very low	118 Å²	118	94.5 Å²	94.5	72%	0.724	52%	0.516	S	S	*	.	H	α-helix	trans	-66.1	-28.2	-170.7	39	0	0	0	0	116.1
467	E	37.2	Very low	41.3	Very low	114 Å²	114	93.6 Å²	93.6	53%	0.533	53%	0.533	S	S	.	.	H	α-helix	trans	-89.4	-9.7	-179	-66.9	-141.1	109.8	0	0	114.7	E465 K489	E465-E467 PolarHBondContact O-N 2.94Å; E467-K489 IonicContact OE1-NZ 2.76Å; E467-K489 PolarHBondContact OE1-NZ 3.43Å
468	A	34.3	Very low	39.9	Very low	49 Å²	49	98.8 Å²	98.8	41%	0.405	56%	0.56	S	S	.	*	H	α-helix	trans	-85.6	-25.5	-177.5	0	0	0	0	0	113.1	E465	E465-A468 PolarHBondContact O-N 2.74Å
469	E	33	Very low	38.9	Very low	120 Å²	120	94.7 Å²	94.7	56%	0.561	55%	0.551	S	S	*	*	H	α-helix	trans	-84.2	-30.1	-171.5	-61.3	-125	98.5	0	0	113.4	K471 K472	E469-K471 PolarHBondContact O-N 3.01Å; E469-K472 PolarHBondContact O-N 2.92Å; E469-K472 IonicContact OE1-NZ 3.25Å; E469-K472 PolarHBondContact OE1-NZ 2.76Å
470	E	35.6	Very low	38.5	Very low	131 Å²	131	101.1 Å²	101.1	61%	0.612	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-55	-27.8	176.4	-63.1	-167.1	117.6	0	0	112.5	K472 K489	E470-K472 VanDerWaalsContact C-N 3.28Å; E470-K472 PolarHBondContact O-N 3.48Å; E470-K489 IonicContact OE2-NZ 3.38Å; E470-K489 PolarHBondContact OE2-NZ 3.05Å
471	K	37.3	Very low	39	Very low	136 Å²	136	97.5 Å²	97.5	59%	0.591	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-71.9	-12.3	-179.7	-68.3	-171	177.1	-177.6	0	114.5	E469 L473 A474	E469-K471 PolarHBondContact O-N 3.01Å; K471-L473 PolarHBondContact O-N 3.03Å; K471-A474 WeakPolarHBondContact O-CB 3.2Å; K471-A474 PolarHBondContact O-N 3.21Å
472	K	31.7	Very low	40.3	Very low	159 Å²	159	96.6 Å²	96.6	69%	0.691	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-78.1	-12.3	179.9	-71.4	176.6	-175.1	159.6	0	114.7	E469 E470	E469-K472 PolarHBondContact O-N 2.92Å; E469-K472 IonicContact OE1-NZ 3.25Å; E469-K472 PolarHBondContact OE1-NZ 2.76Å; E470-K472 VanDerWaalsContact C-N 3.28Å; E470-K472 PolarHBondContact O-N 3.48Å
473	L	31.2	Very low	42	Very low	166 Å²	166	95.2 Å²	95.2	87%	0.869	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-95.2	5.8	171.8	-74.9	96.1	0	0	0	113.4	K471	K471-L473 PolarHBondContact O-N 3.03Å
474	A	27.4	Very low	44	Very low	46 Å²	46	92.4 Å²	92.4	38%	0.38	53%	0.525	S	S	.	.			trans	-81.4	117.1	174.8	0	0	0	0	0	111.1	K471 N478	K471-A474 WeakPolarHBondContact O-CB 3.2Å; K471-A474 PolarHBondContact O-N 3.21Å; A474-N478 HydrophobicContact CB-CB 3.94Å; A474-N478 VanDerWaalsContact CB-ND2 3.32Å; A474-N478 WeakPolarHBondContact CB-ND2 3.37Å
475	G	28	Very low	46	Very low	47 Å²	47	92 Å²	92	49%	0.485	53%	0.527	S	S	.	.			trans	-65.6	163.2	170.2	0	0	0	0	0	112.8	G477 N478	G475-G477 PolarHBondContact O-N 3.15Å; G475-N478 PolarHBondContact O-N 2.9Å
476	P	29	Very low	48.2	Very low	153 Å²	153	87.5 Å²	87.5	99%	0.994	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	28.6	-168.4	31.9	-38.3	0	0	0	115.8
477	G	33.5	Very low	50.6	Low	78 Å²	78	82.8 Å²	82.8	80%	0.804	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.8	17.7	172.4	0	0	0	0	0	113.1	G475	G475-G477 PolarHBondContact O-N 3.15Å
478	N	37.5	Very low	53	Low	114 Å²	114	79.9 Å²	79.9	61%	0.61	47%	0.469	S	S	*	.			trans	-80.2	125.3	-170.8	-132.2	15	0	0	0	112.3	A474 G475	A474-N478 HydrophobicContact CB-CB 3.94Å; A474-N478 VanDerWaalsContact CB-ND2 3.32Å; A474-N478 WeakPolarHBondContact CB-ND2 3.37Å; G475-N478 PolarHBondContact O-N 2.9Å
479	V	45.6	Very low	55.5	Low	101 Å²	101	81.7 Å²	81.7	61%	0.612	47%	0.468	S	S	*	.			trans	-32.4	128.8	176.1	179.9	0	0	0	0	113.1	S481	V479-S481 PolarHBondContact O-N 3.38Å; V479-S481 VanDerWaalsContact O-N 3.13Å
480	H	53.4	Low	58	Low	144 Å²	144	78.3 Å²	78.3	67%	0.667	45%	0.454	S	S	*	.			trans	-61.7	118.8	171.7	-70.9	-85	0	0	0	109.1	N388 T482	N388-H480 PolarHBondContact OD1-N 2.95Å; N388-H480 VanDerWaalsContact OD1-N 3.16Å; H480-T482 PolarHBondContact O-N 2.76Å
481	S	67.9	Low	60.5	Low	54 Å²	54	72.2 Å²	72.2	38%	0.378	43%	0.425	S	S	.	.			trans	-55.1	108.3	176.6	173.7	0	0	0	0	109.8	Q443 V479	Q443-S481 VanDerWaalsContact CB-O 3.26Å; Q443-S481 WeakPolarHBondContact CB-O 3.42Å; Q443-S481 PolarHBondContact OE1-O 3.31Å; V479-S481 PolarHBondContact O-N 3.38Å; V479-S481 VanDerWaalsContact O-N 3.13Å
482	T	80.7	Confident	62.9	Low	6 Å²	6	73.5 Å²	73.5	4%	0.037	43%	0.431	C	S	.	.			trans	-79.2	161.3	177.6	61.6	0	0	0	0	111.2	A384 C387 N441 H480 T484 A485 G486	A384-T482 HydrophobicContact CB-CG2 3.9Å; C387-T482 HydrophobicContact CB-CG2 4.03Å; N441-T482 WeakPolarHBondContact O-CA 3.33Å; N441-T482 VanDerWaalsContact O-CB 3.31Å; N441-T482 WeakPolarHBondContact O-CB 3.38Å; N441-T482 WeakPolarHBondContact OD1-CB 3.44Å; H480-T482 PolarHBondContact O-N 2.76Å; T482-T484 PolarHBondContact O-N 3.18Å; T482-T484 PolarHBondContact OG1-OG1 2.9Å; T482-A485 WeakPolarHBondContact O-CB 3.24Å; T482-A485 PolarHBondContact O-N 3.4Å; T482-A485 WeakPolarHBondContact OG1-CB 3.42Å; T482-A485 PolarHBondContact OG1-N 3.21Å; T482-G486 PolarHBondContact O-N 3.33Å
483	V	80.1	Confident	65.5	Low	34 Å²	34	70.3 Å²	70.3	21%	0.206	42%	0.418	C	S	.	.	H	α-helix	trans	-59.4	-38.6	174	176.8	0	0	0	0	110.9	F125 F320 N441 A485 G486 L487	F125-V483 HydrophobicContact CE2-CB 4.47Å; F125-V483 HydrophobicContact CE2-CG1 3.93Å; F125-V483 HydrophobicContact CE2-CG2 3.87Å; F125-V483 HydrophobicContact CZ-CG2 3.81Å; F320-V483 HydrophobicContact CE1-CB 4.38Å; F320-V483 HydrophobicContact CE1-CG1 4.16Å; F320-V483 HydrophobicContact CZ-CB 4.2Å; F320-V483 HydrophobicContact CZ-CG1 4.23Å; N441-V483 PolarHBondContact O-N 2.97Å; N441-V483 VanDerWaalsContact O-N 3.11Å; N441-V483 PolarHBondContact OD1-N 2.99Å; V483-A485 VanDerWaalsContact C-N 3.29Å; V483-A485 PolarHBondContact O-N 2.99Å; V483-G486 PolarHBondContact O-N 3.3Å; V483-L487 VanDerWaalsContact O-CB 3.24Å; V483-L487 WeakPolarHBondContact O-CB 3.32Å; V483-L487 PolarHBondContact O-N 2.73Å
484	T	86	Confident	68	Low	2 Å²	2	62.5 Å²	62.5	1%	0.012	38%	0.377	C	S	.	.	H	α-helix	trans	-62.9	-31.2	173.5	53.1	0	0	0	0	113.4	F320 L380 L383 N441 T482 Q488	F320-T484 HydrophobicContact CE2-CG2 3.92Å; F320-T484 HydrophobicContact CZ-CG2 4.13Å; L380-T484 HydrophobicContact CB-CG2 4.48Å; L380-T484 HydrophobicContact CD2-CG2 3.81Å; L383-T484 HydrophobicContact CD2-CG2 4.42Å; N441-T484 PolarHBondContact ND2-OG1 3.14Å; N441-T484 WeakPolarHBondContact OD1-CG2 3.43Å; N441-T484 PolarHBondContact OD1-N 3.38Å; N441-T484 PolarHBondContact OD1-OG1 3.37Å; T482-T484 PolarHBondContact O-N 3.18Å; T482-T484 PolarHBondContact OG1-OG1 2.9Å; T484-Q488 WeakPolarHBondContact O-CB 3.36Å; T484-Q488 WeakPolarHBondContact O-CG 3.37Å; T484-Q488 PolarHBondContact O-N 3.24Å; T484-Q488 VanDerWaalsContact O-N 3.08Å
485	A	85	Confident	71	Confident	41 Å²	41	61.8 Å²	61.8	34%	0.339	37%	0.367	S	S	.	.	H	α-helix	trans	-74.3	-41.4	175.9	0	0	0	0	0	111.9	T482 V483 Q488 K489	T482-A485 WeakPolarHBondContact O-CB 3.24Å; T482-A485 PolarHBondContact O-N 3.4Å; T482-A485 WeakPolarHBondContact OG1-CB 3.42Å; T482-A485 PolarHBondContact OG1-N 3.21Å; V483-A485 VanDerWaalsContact C-N 3.29Å; V483-A485 PolarHBondContact O-N 2.99Å; A485-Q488 PolarHBondContact O-N 3.35Å; A485-K489 PolarHBondContact O-N 3.05Å
486	G	82.5	Confident	73.8	Confident	25 Å²	25	62.5 Å²	62.5	26%	0.258	36%	0.364	S	S	.	.	H	α-helix	trans	-60.1	-50.2	171.6	0	0	0	0	0	111.8	T482 V483 Q488 K489 D490	T482-G486 PolarHBondContact O-N 3.33Å; V483-G486 PolarHBondContact O-N 3.3Å; G486-Q488 PolarHBondContact O-N 3.17Å; G486-K489 WeakPolarHBondContact O-CA 3.06Å; G486-K489 WeakPolarHBondContact O-CB 3.3Å; G486-K489 PolarHBondContact O-N 3.04Å; G486-D490 PolarHBondContact O-N 2.68Å
487	L	85	Confident	76.2	Confident	19 Å²	19	58.8 Å²	58.8	10%	0.099	33%	0.33	C	S	.	.	H	α-helix	trans	-52.1	-37.5	172.8	177.3	61.4	0	0	0	113.1	L121 C324 Y327 V328 V483 I491	L121-L487 HydrophobicContact CD2-CD1 3.49Å; L121-L487 VanDerWaalsContact CD2-CD1 3.49Å; C324-L487 HydrophobicContact CB-CD2 3.56Å; C324-L487 VanDerWaalsContact SG-CD2 3.53Å; Y327-L487 HydrophobicContact CD1-CD2 3.99Å; Y327-L487 HydrophobicContact CD1-CG 4.16Å; Y327-L487 HydrophobicContact CE1-CD2 4.49Å; Y327-L487 HydrophobicContact CE1-CG 4.25Å; V328-L487 HydrophobicContact CG2-CD1 3.58Å; V483-L487 VanDerWaalsContact O-CB 3.24Å; V483-L487 WeakPolarHBondContact O-CB 3.32Å; V483-L487 PolarHBondContact O-N 2.73Å; L487-I491 WeakPolarHBondContact O-CB 3.14Å; L487-I491 VanDerWaalsContact O-CG2 3.24Å; L487-I491 WeakPolarHBondContact O-CG2 3.34Å; L487-I491 PolarHBondContact O-N 3.16Å
488	Q	89.1	Confident	78.7	Confident	52 Å²	52	55.1 Å²	55.1	24%	0.243	29%	0.292	C	S	.	.	H	α-helix	trans	-73.4	-30.5	175.4	-78.1	174.9	11.6	0	0	113.6	Y327 T484 A485 G486 K492	Y327-Q488 HydrophobicContact CE1-CG 4.25Å; T484-Q488 WeakPolarHBondContact O-CB 3.36Å; T484-Q488 WeakPolarHBondContact O-CG 3.37Å; T484-Q488 PolarHBondContact O-N 3.24Å; T484-Q488 VanDerWaalsContact O-N 3.08Å; A485-Q488 PolarHBondContact O-N 3.35Å; G486-Q488 PolarHBondContact O-N 3.17Å; Q488-K492 VanDerWaalsContact O-CB 3.27Å; Q488-K492 WeakPolarHBondContact O-CB 3.4Å; Q488-K492 PolarHBondContact O-N 2.84Å
489	K	86.3	Confident	81	Confident	88 Å²	88	53.5 Å²	53.5	38%	0.383	28%	0.284	S	S	.	.	H	α-helix	trans	-67	-53.4	170.6	-170.7	-175.6	-173.9	180	0	109.8	E467 E470 A485 G486 K492 Q493	E467-K489 IonicContact OE1-NZ 2.76Å; E467-K489 PolarHBondContact OE1-NZ 3.43Å; E470-K489 IonicContact OE2-NZ 3.38Å; E470-K489 PolarHBondContact OE2-NZ 3.05Å; A485-K489 PolarHBondContact O-N 3.05Å; G486-K489 WeakPolarHBondContact O-CA 3.06Å; G486-K489 WeakPolarHBondContact O-CB 3.3Å; G486-K489 PolarHBondContact O-N 3.04Å; K489-K492 WeakPolarHBondContact O-CB 3.44Å; K489-K492 PolarHBondContact O-N 3.41Å; K489-Q493 PolarHBondContact O-N 2.63Å
490	D	84.5	Confident	82.8	Confident	48 Å²	48	55.8 Å²	55.8	26%	0.257	29%	0.285	S	S	.	.	H	α-helix	trans	-57.2	-51.6	-178.2	-77.1	23.6	0	0	0	112.7	I120 L121 G486 K492 Q493 L494	I120-D490 HydrophobicContact CG2-CB 3.72Å; L121-D490 HydrophobicContact CD2-CB 3.38Å; L121-D490 HydrophobicContact CG-CB 4.33Å; G486-D490 PolarHBondContact O-N 2.68Å; D490-K492 VanDerWaalsContact C-N 3.28Å; D490-K492 PolarHBondContact O-N 3.23Å; D490-Q493 WeakPolarHBondContact O-CB 3.29Å; D490-Q493 PolarHBondContact O-N 3.27Å; D490-L494 PolarHBondContact O-N 3.21Å
491	I	88.4	Confident	84.1	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-65.6	-33.3	179.9	-165.9	52.8	0	0	0	111.6	Y327 V328 K331 I332 L487 Q493 L494 I495	Y327-I491 HydrophobicContact CE1-CG2 4.11Å; V328-I491 HydrophobicContact CG1-CD1 4Å; V328-I491 HydrophobicContact CG2-CD1 4.5Å; K331-I491 HydrophobicContact CB-CD1 4.4Å; K331-I491 HydrophobicContact CB-CG1 3.91Å; K331-I491 HydrophobicContact CG-CG1 4.25Å; I332-I491 HydrophobicContact CD1-CD1 4.43Å; L487-I491 WeakPolarHBondContact O-CB 3.14Å; L487-I491 VanDerWaalsContact O-CG2 3.24Å; L487-I491 WeakPolarHBondContact O-CG2 3.34Å; L487-I491 PolarHBondContact O-N 3.16Å; I491-Q493 VanDerWaalsContact C-N 3.35Å; I491-L494 HydrophobicContact CD1-CB 4.42Å; I491-L494 HydrophobicContact CD1-CD2 4.05Å; I491-L494 PolarHBondContact O-N 2.96Å; I491-I495 HydrophobicContact CG1-CG1 4.49Å; I491-I495 VanDerWaalsContact O-CG1 3.32Å; I491-I495 WeakPolarHBondContact O-CG1 3.47Å; I491-I495 PolarHBondContact O-N 3.23Å
492	K	88.8	Confident	84.8	Confident	162 Å²	162	53.6 Å²	53.6	70%	0.704	27%	0.269	S	S	*	.	H	α-helix	trans	-67.2	-36.7	175.5	-173.3	-175.7	178.1	-171.4	0	111.5	Q488 K489 D490 C496	Q488-K492 VanDerWaalsContact O-CB 3.27Å; Q488-K492 WeakPolarHBondContact O-CB 3.4Å; Q488-K492 PolarHBondContact O-N 2.84Å; K489-K492 WeakPolarHBondContact O-CB 3.44Å; K489-K492 PolarHBondContact O-N 3.41Å; D490-K492 VanDerWaalsContact C-N 3.28Å; D490-K492 PolarHBondContact O-N 3.23Å; K492-C496 VanDerWaalsContact O-CB 3.27Å; K492-C496 WeakPolarHBondContact O-CB 3.41Å; K492-C496 PolarHBondContact O-N 2.83Å
493	Q	85	Confident	85	Confident	92 Å²	92	54 Å²	54	43%	0.43	27%	0.272	S	S	.	.	H	α-helix	trans	-65.3	-45.5	172.2	178.8	171.4	-29.3	0	0	111.4	K489 D490 I491 C496 W497	K489-Q493 PolarHBondContact O-N 2.63Å; D490-Q493 WeakPolarHBondContact O-CB 3.29Å; D490-Q493 PolarHBondContact O-N 3.27Å; I491-Q493 VanDerWaalsContact C-N 3.35Å; Q493-C496 WeakPolarHBondContact O-CB 3.27Å; Q493-C496 PolarHBondContact O-N 2.72Å; Q493-W497 HydrophobicContact CG-CZ2 4.32Å; Q493-W497 VanDerWaalsContact NE2-CZ2 3.25Å; Q493-W497 PolarHBondContact O-N 2.79Å
494	L	85.4	Confident	85.2	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-60.2	-49.1	176.5	178.4	59	0	0	0	111.8	I120 M309 I332 D490 I491 C496 W497 L498	I120-L494 HydrophobicContact CD1-CB 4.25Å; I120-L494 HydrophobicContact CD1-CD1 4.19Å; M309-L494 HydrophobicContact CE-CD2 3.94Å; M309-L494 HydrophobicContact SD-CD2 3.57Å; M309-L494 VanDerWaalsContact SD-CD2 3.57Å; I332-L494 HydrophobicContact CD1-CD2 4.16Å; D490-L494 PolarHBondContact O-N 3.21Å; I491-L494 HydrophobicContact CD1-CB 4.42Å; I491-L494 HydrophobicContact CD1-CD2 4.05Å; I491-L494 PolarHBondContact O-N 2.96Å; L494-C496 VanDerWaalsContact C-N 3.26Å; L494-C496 PolarHBondContact O-N 3.09Å; L494-W497 WeakPolarHBondContact O-CB 3.37Å; L494-W497 PolarHBondContact O-N 3.09Å; L494-L498 HydrophobicContact CD1-CG 4.44Å; L494-L498 WeakPolarHBondContact O-CG 3.28Å; L494-L498 PolarHBondContact O-N 2.71Å
495	I	89.3	Confident	85.2	Confident	32 Å²	32	55.6 Å²	55.6	16%	0.164	28%	0.277	C	S	.	.	H	α-helix	trans	-57.6	-39.5	175.2	-65.4	-49.1	0	0	0	111.2	I332 F335 I491 W497 L498 D499	I332-I495 HydrophobicContact CD1-CD1 4.1Å; F335-I495 HydrophobicContact CB-CD1 3.9Å; F335-I495 HydrophobicContact CD2-CD1 4.14Å; F335-I495 HydrophobicContact CD2-CG2 4.05Å; F335-I495 HydrophobicContact CG-CD1 4.19Å; I491-I495 HydrophobicContact CG1-CG1 4.49Å; I491-I495 VanDerWaalsContact O-CG1 3.32Å; I491-I495 WeakPolarHBondContact O-CG1 3.47Å; I491-I495 PolarHBondContact O-N 3.23Å; I495-W497 VanDerWaalsContact C-N 3.26Å; I495-W497 PolarHBondContact O-N 3.25Å; I495-L498 HydrophobicContact CD1-CD1 3.82Å; I495-L498 PolarHBondContact O-N 2.9Å; I495-D499 WeakPolarHBondContact CG2-OD2 3.24Å; I495-D499 WeakPolarHBondContact O-CB 3.47Å; I495-D499 PolarHBondContact O-N 3Å
496	C	87.5	Confident	85.4	Confident	62 Å²	62	55.8 Å²	55.8	42%	0.419	27%	0.273	S	S	.	.	H	α-helix	trans	-67.2	-20.8	176.2	-172.4	0	0	0	0	114	K492 Q493 L494 K500	K492-C496 VanDerWaalsContact O-CB 3.27Å; K492-C496 WeakPolarHBondContact O-CB 3.41Å; K492-C496 PolarHBondContact O-N 2.83Å; Q493-C496 WeakPolarHBondContact O-CB 3.27Å; Q493-C496 PolarHBondContact O-N 2.72Å; L494-C496 VanDerWaalsContact C-N 3.26Å; L494-C496 PolarHBondContact O-N 3.09Å; C496-K500 WeakPolarHBondContact O-CD 3.44Å; C496-K500 WeakPolarHBondContact O-CE 3.39Å; C496-K500 WeakPolarHBondContact O-CG 3.42Å
497	W	79.7	Confident	85.7	Confident	74 Å²	74	56.3 Å²	56.3	28%	0.28	27%	0.268	S	S	.	.	H	α-helix	trans	-80.6	-45.3	168.1	-68	-8	0	0	0	111.2	V102 I120 Q493 L494 I495 D499 K500 S501	V102-W497 HydrophobicContact CG1-CE3 4.39Å; V102-W497 HydrophobicContact CG1-CZ3 4.22Å; V102-W497 HydrophobicContact CG2-CZ3 4.45Å; I120-W497 HydrophobicContact CD1-CE3 4.42Å; I120-W497 HydrophobicContact CD1-CZ3 4Å; Q493-W497 HydrophobicContact CG-CZ2 4.32Å; Q493-W497 VanDerWaalsContact NE2-CZ2 3.25Å; Q493-W497 PolarHBondContact O-N 2.79Å; L494-W497 WeakPolarHBondContact O-CB 3.37Å; L494-W497 PolarHBondContact O-N 3.09Å; I495-W497 VanDerWaalsContact C-N 3.26Å; I495-W497 PolarHBondContact O-N 3.25Å; W497-D499 VanDerWaalsContact C-N 3.33Å; W497-D499 PolarHBondContact O-N 3.11Å; W497-K500 PolarHBondContact O-N 3.3Å; W497-S501 PolarHBondContact O-OG 2.7Å
498	L	84.9	Confident	86	Confident	1 Å²	1	56 Å²	56	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-59.7	-39.7	176.4	-58.1	177.3	0	0	0	112.2	L39 I332 F335 L494 I495 K500 S501 T503	L39-L498 HydrophobicContact CD1-CD2 3.69Å; L39-L498 HydrophobicContact CD2-CD2 3.33Å; L39-L498 HydrophobicContact CG-CD2 4.17Å; I332-L498 HydrophobicContact CD1-CD1 3.74Å; F335-L498 HydrophobicContact CD1-CB 4.32Å; F335-L498 HydrophobicContact CD1-CD1 3.92Å; F335-L498 HydrophobicContact CD2-CB 4.14Å; F335-L498 HydrophobicContact CD2-CD1 4.33Å; F335-L498 HydrophobicContact CE1-CB 3.73Å; F335-L498 HydrophobicContact CE1-CD1 4.1Å; F335-L498 HydrophobicContact CE1-CG 4.46Å; F335-L498 HydrophobicContact CE2-CB 3.53Å; F335-L498 HydrophobicContact CG-CD1 4.08Å; F335-L498 HydrophobicContact CZ-CB 3.32Å; F335-L498 HydrophobicContact CZ-CD1 4.42Å; F335-L498 HydrophobicContact CZ-CG 4.46Å; L494-L498 HydrophobicContact CD1-CG 4.44Å; L494-L498 WeakPolarHBondContact O-CG 3.28Å; L494-L498 PolarHBondContact O-N 2.71Å; I495-L498 HydrophobicContact CD1-CD1 3.82Å; I495-L498 PolarHBondContact O-N 2.9Å; L498-K500 PolarHBondContact O-N 2.81Å; L498-S501 PolarHBondContact O-N 3.04Å; L498-S501 VanDerWaalsContact O-O 3.12Å; L498-T503 PolarHBondContact O-OG1 3.26Å
499	D	85.7	Confident	86.1	Confident	81 Å²	81	56.2 Å²	56.2	43%	0.433	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-14.3	178.5	-94.5	-60	0	0	0	114.5	F335 R338 I495 W497	F335-D499 HydrophobicContact CE2-CB 4.45Å; R338-D499 IonicContact CZ-OD1 3.42Å; R338-D499 IonicContact CZ-OD2 3.56Å; R338-D499 IonicContact NH1-OD1 3.63Å; R338-D499 PolarHBondContact NH1-OD1 3.4Å; R338-D499 IonicContact NH1-OD2 3.81Å; R338-D499 IonicContact NH2-OD1 3.54Å; R338-D499 PolarHBondContact NH2-OD1 3.18Å; R338-D499 IonicContact NH2-OD2 2.76Å; R338-D499 PolarHBondContact NH2-OD2 3.34Å; I495-D499 WeakPolarHBondContact CG2-OD2 3.24Å; I495-D499 WeakPolarHBondContact O-CB 3.47Å; I495-D499 PolarHBondContact O-N 3Å; W497-D499 VanDerWaalsContact C-N 3.33Å; W497-D499 PolarHBondContact O-N 3.11Å
500	K	84.1	Confident	86.2	Confident	149 Å²	149	53.1 Å²	53.1	65%	0.648	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-21	179.9	-69.1	175.1	-175	-178.8	0	113.8	C496 W497 L498	C496-K500 WeakPolarHBondContact O-CD 3.44Å; C496-K500 WeakPolarHBondContact O-CE 3.39Å; C496-K500 WeakPolarHBondContact O-CG 3.42Å; W497-K500 PolarHBondContact O-N 3.3Å; L498-K500 PolarHBondContact O-N 2.81Å
501	S	81.4	Confident	86.6	Confident	18 Å²	18	53.5 Å²	53.5	13%	0.126	26%	0.262	C	S	.	.	S	Bend	trans	-111.2	147.5	-171.3	-49.8	0	0	0	0	110.7	E37 W497 L498 T503	E37-S501 CarbonylContact O-C 3.48Å; E37-S501 VanDerWaalsContact O-CA 3.24Å; E37-S501 WeakPolarHBondContact O-CA 3.49Å; E37-S501 WeakPolarHBondContact O-CB 3.44Å; W497-S501 PolarHBondContact O-OG 2.7Å; L498-S501 PolarHBondContact O-N 3.04Å; L498-S501 VanDerWaalsContact O-O 3.12Å; S501-T503 PolarHBondContact O-N 2.93Å; S501-T503 PolarHBondContact O-OG1 3.11Å
502	F	82	Confident	86.7	Confident	133 Å²	133	53.4 Å²	53.4	58%	0.583	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	108.2	173.7	-173.5	-103.6	0	0	0	109.6	E37 L39 H504	E37-F502 PolarHBondContact O-N 3.44Å; L39-F502 PolarHBondContact N-O 2.92Å; F502-H504 AromaticContact CD1-CD2 3.98Å; F502-H504 AromaticContact CD1-NE2 3.52Å; F502-H504 AromaticContact CE1-CE1 3.75Å; F502-H504 AromaticContact CE1-NE2 3.65Å
503	T	84.3	Confident	86.5	Confident	15 Å²	15	52.1 Å²	52.1	9%	0.092	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	111	-167.6	-62.2	0	0	0	0	112.5	L39 Q41 F335 L498 S501 F505	L39-T503 HydrophobicContact CD2-CG2 3.86Å; L39-T503 CarbonylContact O-C 3.57Å; L39-T503 WeakPolarHBondContact O-CA 3.31Å; Q41-T503 HydrophobicContact CB-CG2 3.97Å; F335-T503 HydrophobicContact CE1-CG2 4.16Å; L498-T503 PolarHBondContact O-OG1 3.26Å; S501-T503 PolarHBondContact O-N 2.93Å; S501-T503 PolarHBondContact O-OG1 3.11Å; T503-F505 HydrophobicContact CG2-CD1 4.34Å; T503-F505 HydrophobicContact CG2-CD2 4.23Å; T503-F505 HydrophobicContact CG2-CE1 3.91Å; T503-F505 HydrophobicContact CG2-CE2 3.79Å; T503-F505 HydrophobicContact CG2-CG 4.5Å; T503-F505 HydrophobicContact CG2-CZ 3.62Å
504	H	85	Confident	86.5	Confident	29 Å²	29	51 Å²	51	13%	0.134	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	128.7	166.5	-63.5	-95	0	0	0	110.6	L39 V40 Q41 F502	L39-H504 PolarHBondContact O-N 3.34Å; V40-H504 CarbonylContact C-O 3.57Å; V40-H504 WeakPolarHBondContact CA-O 3.3Å; V40-H504 HydrophobicContact CG2-CB 4.41Å; Q41-H504 PolarHBondContact N-O 2.98Å; F502-H504 AromaticContact CD1-CD2 3.98Å; F502-H504 AromaticContact CD1-NE2 3.52Å; F502-H504 AromaticContact CE1-CE1 3.75Å; F502-H504 AromaticContact CE1-NE2 3.65Å
505	F	86.2	Confident	86.4	Confident	41 Å²	41	55.8 Å²	55.8	18%	0.18	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128.7	178	-63.2	-89.2	0	0	0	111.5	Q41 E43 F335 F336 V339 T503	Q41-F505 HydrophobicContact CB-CD1 4.11Å; Q41-F505 HydrophobicContact CB-CE1 4.36Å; Q41-F505 HydrophobicContact CG-CD1 4.16Å; Q41-F505 HydrophobicContact CG-CE1 4.29Å; E43-F505 VanDerWaalsContact OE1-CD1 3.3Å; E43-F505 WeakPolarHBondContact OE1-CD1 3.45Å; F335-F505 HydrophobicContact CD1-CE1 4.12Å; F335-F505 AromaticContact CD1-CZ 3.75Å; F335-F505 HydrophobicContact CD1-CZ 3.75Å; F335-F505 HydrophobicContact CE1-CE1 4.34Å; F335-F505 AromaticContact CE1-CZ 3.69Å; F335-F505 HydrophobicContact CE1-CZ 3.69Å; F336-F505 HydrophobicContact CB-CD1 4.23Å; F336-F505 HydrophobicContact CB-CE1 3.68Å; F336-F505 HydrophobicContact CB-CZ 3.93Å; F336-F505 HydrophobicContact CD2-CB 4.38Å; F336-F505 AromaticContact CD2-CD1 3.82Å; F336-F505 HydrophobicContact CD2-CD1 3.82Å; F336-F505 AromaticContact CD2-CD2 3.81Å; F336-F505 HydrophobicContact CD2-CD2 3.81Å; F336-F505 AromaticContact CD2-CE1 3.94Å; F336-F505 HydrophobicContact CD2-CE1 3.94Å; F336-F505 AromaticContact CD2-CE2 3.94Å; F336-F505 HydrophobicContact CD2-CE2 3.94Å; F336-F505 AromaticContact CD2-CG 3.74Å; F336-F505 HydrophobicContact CD2-CG 3.74Å; F336-F505 AromaticContact CD2-CZ 3.98Å; F336-F505 HydrophobicContact CD2-CZ 3.98Å; F336-F505 HydrophobicContact CE2-CD2 4.36Å; F336-F505 HydrophobicContact CE2-CG 4.33Å; F336-F505 HydrophobicContact CG-CD1 4.44Å; F336-F505 HydrophobicContact CG-CE1 4.29Å; F336-F505 HydrophobicContact CG-CZ 4.47Å; V339-F505 HydrophobicContact CG1-CE2 4.41Å; T503-F505 HydrophobicContact CG2-CD1 4.34Å; T503-F505 HydrophobicContact CG2-CD2 4.23Å; T503-F505 HydrophobicContact CG2-CE1 3.91Å; T503-F505 HydrophobicContact CG2-CE2 3.79Å; T503-F505 HydrophobicContact CG2-CG 4.5Å; T503-F505 HydrophobicContact CG2-CZ 3.62Å
506	V	88.7	Confident	86.3	Confident	44 Å²	44	58 Å²	58	27%	0.267	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.1	175.7	-167	0	0	0	0	110.9	V40 Q41 L42 E43 L53	V40-V506 HydrophobicContact CG1-CG2 3.82Å; Q41-V506 PolarHBondContact O-N 3.07Å; L42-V506 HydrophobicContact CD2-CB 3.73Å; L42-V506 HydrophobicContact CD2-CG2 3.95Å; E43-V506 PolarHBondContact N-O 2.79Å; L53-V506 HydrophobicContact CD2-CG1 3.76Å
507	R	88.4	Confident	86.4	Confident	37 Å²	37	58.9 Å²	58.9	14%	0.14	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	97.5	-170.5	-63.1	-63.4	-170.5	163.9	-8.5	111.5	E43 F336 L532 L534	E43-R507 IonicContact OE1-CZ 2.56Å; E43-R507 VanDerWaalsContact OE1-CZ 3.29Å; E43-R507 IonicContact OE1-NE 2.74Å; E43-R507 IonicContact OE1-NH1 3.67Å; E43-R507 IonicContact OE1-NH2 2.73Å; E43-R507 PolarHBondContact OE1-NH2 2.86Å; E43-R507 IonicContact OE2-CZ 3.86Å; E43-R507 VanDerWaalsContact OE2-CZ 3.25Å; E43-R507 IonicContact OE2-NH1 3.1Å; E43-R507 PolarHBondContact OE2-NH1 3.37Å; E43-R507 IonicContact OE2-NH2 3.62Å; E43-R507 PolarHBondContact OE2-NH2 3.22Å; F336-R507 VanDerWaalsContact CD2-NH2 3.32Å; F336-R507 VanDerWaalsContact CE1-NH2 3.25Å; R507-L532 VanDerWaalsContact NH1-CD2 3.31Å; R507-L534 HydrophobicContact CB-CD2 3.71Å; R507-L534 HydrophobicContact CG-CD2 3.68Å
508	C	91.1	Very high	86.8	Confident	13 Å²	13	62.5 Å²	62.5	9%	0.088	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-87.5	118.9	-176.6	-57.6	0	0	0	0	111.2	E43 G44 S48 K50	E43-C508 WeakPolarHBondContact O-CB 3.39Å; E43-C508 PolarHBondContact O-N 3.22Å; G44-C508 WeakPolarHBondContact CA-O 3.45Å; S48-C508 WeakPolarHBondContact CB-O 3.43Å; S48-C508 WeakPolarHBondContact O-CB 3.48Å; S48-C508 WeakPolarHBondContact OG-CB 3.47Å; S48-C508 PolarHBondContact OG-O 3.28Å; K50-C508 HydrophobicContact CG-CB 3.93Å
509	L	91.2	Very high	87.1	Confident	56 Å²	56	66.6 Å²	66.6	29%	0.293	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-99.8	137.2	-177.9	-66	172.9	0	0	0	112	V525 Q528 V529 L532 L534	L509-V525 HydrophobicContact CD1-CG1 4.3Å; L509-Q528 HydrophobicContact CD2-CB 3.66Å; L509-V529 HydrophobicContact CD1-CG2 4.24Å; L509-V529 HydrophobicContact CD2-CG2 4.49Å; L509-L532 HydrophobicContact CD2-CD1 3.69Å; L509-L534 HydrophobicContact CD1-CD1 4.16Å; L509-L534 HydrophobicContact CD2-CD1 4.36Å
510	N	89.8	Confident	87.4	Confident	23 Å²	23	67.4 Å²	67.4	12%	0.123	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-92.3	121	173.3	-175	-20.2	0	0	0	110.3	S45 I46 N512 F524 Q528	S45-N510 WeakPolarHBondContact OG-CB 3.48Å; I46-N510 PolarHBondContact O-ND2 3.44Å; N510-N512 PolarHBondContact OD1-N 3.5Å; N510-N512 PolarHBondContact OD1-O 3.5Å; N510-F524 HydrophobicContact CB-CE1 3.98Å; N510-F524 HydrophobicContact CB-CZ 4.18Å; N510-F524 WeakPolarHBondContact O-CE1 3.34Å; N510-Q528 PolarHBondContact O-NE2 3.4Å
511	P	91.9	Very high	87.9	Confident	55 Å²	55	62.3 Å²	62.3	36%	0.357	33%	0.326	S	S	.	.			trans	-72.9	-26.8	-173.2	28.7	-35.9	0	0	0	114.8	F520 E521	P511-F520 HydrophobicContact CB-CD2 4.19Å; P511-E521 PolarHBondContact O-N 2.89Å
512	N	89.9	Confident	88.4	Confident	3 Å²	3	67.1 Å²	67.1	2%	0.016	35%	0.35	C	S	.	.			trans	-159	152.5	179.8	64.8	90.7	0	0	0	113.1	N510 C514 K515 V516 K519 E521	N510-N512 PolarHBondContact OD1-N 3.5Å; N510-N512 PolarHBondContact OD1-O 3.5Å; N512-C514 PolarHBondContact O-N 3.01Å; N512-C514 WeakPolarHBondContact OD1-CA 3.45Å; N512-C514 WeakPolarHBondContact OD1-CB 3.4Å; N512-C514 PolarHBondContact OD1-N 2.83Å; N512-C514 VanDerWaalsContact OD1-N 3.07Å; N512-K515 PolarHBondContact OD1-N 3.09Å; N512-V516 PolarHBondContact ND2-O 2.94Å; N512-V516 PolarHBondContact OD1-N 3.16Å; N512-K519 HydrophobicContact CB-CB 4.49Å; N512-K519 HydrophobicContact CB-CD 4.16Å; N512-K519 HydrophobicContact CB-CG 4.39Å; N512-K519 WeakPolarHBondContact CB-O 2.97Å; N512-K519 PolarHBondContact ND2-O 3.07Å; N512-E521 WeakPolarHBondContact CA-OE2 3.46Å; N512-E521 HydrophobicContact CB-CB 4.21Å; N512-E521 VanDerWaalsContact CB-CD 3.45Å; N512-E521 HydrophobicContact CB-CG 3.65Å
513	K	85.3	Confident	88.9	Confident	135 Å²	135	65.9 Å²	65.9	59%	0.587	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-6.4	178.2	-61.3	-173.7	-178.2	-177	0	114	E521 F524	K513-E521 PolarHBondContact N-OE2 2.82Å; K513-F524 HydrophobicContact CD-CD2 4.31Å; K513-F524 HydrophobicContact CD-CE2 4.46Å; K513-F524 HydrophobicContact CD-CG 4.37Å; K513-F524 VanDerWaalsContact CE-CE2 3.45Å; K513-F524 HydrophobicContact CG-CD1 3.71Å; K513-F524 HydrophobicContact CG-CD2 4.17Å; K513-F524 HydrophobicContact CG-CE1 3.71Å; K513-F524 HydrophobicContact CG-CE2 4.16Å; K513-F524 HydrophobicContact CG-CG 3.93Å; K513-F524 HydrophobicContact CG-CZ 3.94Å
514	C	85.2	Confident	89.2	Confident	69 Å²	69	66.5 Å²	66.5	47%	0.466	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-5.1	-173.5	-61.8	0	0	0	0	114.7	N512 V516 K519	N512-C514 PolarHBondContact O-N 3.01Å; N512-C514 WeakPolarHBondContact OD1-CA 3.45Å; N512-C514 WeakPolarHBondContact OD1-CB 3.4Å; N512-C514 PolarHBondContact OD1-N 2.83Å; N512-C514 VanDerWaalsContact OD1-N 3.07Å; C514-V516 VanDerWaalsContact C-N 3.28Å; C514-V516 HydrophobicContact CB-CG2 3.75Å; C514-V516 PolarHBondContact O-N 3.3Å; C514-K519 PolarHBondContact SG-NZ 3.36Å
515	K	84	Confident	89.5	Confident	101 Å²	101	65.6 Å²	65.6	44%	0.439	35%	0.353	S	S	.	.			trans	60.7	28.2	-172.6	-40	-173.4	-160.8	-174.4	0	114.4	N91 A92 D94 N512	N91-K515 VanDerWaalsContact O-CE 3.29Å; N91-K515 WeakPolarHBondContact O-CE 3.47Å; N91-K515 PolarHBondContact O-NZ 3.32Å; A92-K515 VanDerWaalsContact O-CE 3.25Å; A92-K515 WeakPolarHBondContact O-CE 3.48Å; D94-K515 IonicContact OD1-NZ 2.67Å; D94-K515 PolarHBondContact OD1-NZ 2.99Å; D94-K515 IonicContact OD2-NZ 3.73Å; D94-K515 PolarHBondContact OD2-NZ 2.95Å; N512-K515 PolarHBondContact OD1-N 3.09Å
516	V	86.6	Confident	89.8	Confident	78 Å²	78	69.6 Å²	69.6	47%	0.473	37%	0.372	S	S	.	.			trans	-100.4	138.3	-176.4	-174.2	0	0	0	0	110.8	N512 C514 K519	N512-V516 PolarHBondContact ND2-O 2.94Å; N512-V516 PolarHBondContact OD1-N 3.16Å; C514-V516 VanDerWaalsContact C-N 3.28Å; C514-V516 HydrophobicContact CB-CG2 3.75Å; C514-V516 PolarHBondContact O-N 3.3Å; V516-K519 HydrophobicContact CB-CB 4.34Å; V516-K519 HydrophobicContact CG1-CB 4.49Å
517	A	88.6	Confident	89.9	Confident	82 Å²	82	71 Å²	71	68%	0.678	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	155.8	173.2	0	0	0	0	0	111.9	K519	A517-K519 PolarHBondContact O-N 2.99Å
518	D	88.9	Confident	90	Very high	149 Å²	149	69.3 Å²	69.3	80%	0.797	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	3.5	174.6	-51.8	-44.4	0	0	0	117.3
519	K	90.8	Very high	90	Very high	87 Å²	87	70.7 Å²	70.7	38%	0.378	38%	0.377	S	S	.	.			trans	-94.4	116.1	176.1	-169.5	-166.3	-173.3	-160.8	0	110.6	N512 C514 V516 A517 E521	N512-K519 HydrophobicContact CB-CB 4.49Å; N512-K519 HydrophobicContact CB-CD 4.16Å; N512-K519 HydrophobicContact CB-CG 4.39Å; N512-K519 WeakPolarHBondContact CB-O 2.97Å; N512-K519 PolarHBondContact ND2-O 3.07Å; C514-K519 PolarHBondContact SG-NZ 3.36Å; V516-K519 HydrophobicContact CB-CB 4.34Å; V516-K519 HydrophobicContact CG1-CB 4.49Å; A517-K519 PolarHBondContact O-N 2.99Å; K519-E521 WeakPolarHBondContact CE-OE1 3.38Å; K519-E521 IonicContact NZ-OE1 3.27Å; K519-E521 PolarHBondContact NZ-OE1 2.65Å
520	F	92.2	Very high	90	Very high	98 Å²	98	75.8 Å²	75.8	43%	0.43	40%	0.397	S	S	.	.			trans	-110	107.6	178.9	-167.7	-96.9	0	0	0	112	P511 L522 V525 M1163	P511-F520 HydrophobicContact CB-CD2 4.19Å; F520-L522 HydrophobicContact CD1-CB 4.35Å; F520-L522 HydrophobicContact CE1-CB 4.31Å; F520-L522 HydrophobicContact CE1-CD1 3.96Å; F520-L522 PolarHBondContact O-N 3.42Å; F520-V525 HydrophobicContact CD2-CG2 4.15Å; F520-V525 HydrophobicContact CE1-CB 4.24Å; F520-V525 HydrophobicContact CE1-CG1 4.5Å; F520-V525 HydrophobicContact CE1-CG2 4.24Å; F520-V525 HydrophobicContact CE2-CB 4.21Å; F520-V525 HydrophobicContact CE2-CG1 3.99Å; F520-V525 HydrophobicContact CE2-CG2 3.72Å; F520-V525 HydrophobicContact CZ-CB 3.8Å; F520-V525 HydrophobicContact CZ-CG1 3.64Å; F520-V525 HydrophobicContact CZ-CG2 3.79Å; F520-M1163 HydrophobicContact CD2-CE 3.95Å; F520-M1163 HydrophobicContact CD2-SD 3.37Å; F520-M1163 WeakPolarHBondContact CD2-SD 3.29Å; F520-M1163 HydrophobicContact CE2-CE 4.24Å; F520-M1163 HydrophobicContact CE2-SD 3.44Å; F520-M1163 WeakPolarHBondContact CE2-SD 3.47Å; F520-M1163 HydrophobicContact CG-SD 4.46Å
521	E	93.8	Very high	89.9	Confident	43 Å²	43	75.1 Å²	75.1	20%	0.201	40%	0.395	C	S	.	.			trans	-88.7	81.3	179.4	-71.6	176.5	174	0	0	110.6	P511 N512 K513 K519 P523 F524 V525	P511-E521 PolarHBondContact O-N 2.89Å; N512-E521 WeakPolarHBondContact CA-OE2 3.46Å; N512-E521 HydrophobicContact CB-CB 4.21Å; N512-E521 VanDerWaalsContact CB-CD 3.45Å; N512-E521 HydrophobicContact CB-CG 3.65Å; K513-E521 PolarHBondContact N-OE2 2.82Å; K519-E521 WeakPolarHBondContact CE-OE1 3.38Å; K519-E521 IonicContact NZ-OE1 3.27Å; K519-E521 PolarHBondContact NZ-OE1 2.65Å; E521-P523 VanDerWaalsContact C-CD 3.41Å; E521-P523 VanDerWaalsContact C-N 3.31Å; E521-P523 VanDerWaalsContact O-N 3.07Å; E521-F524 HydrophobicContact CB-CB 4.12Å; E521-F524 WeakPolarHBondContact O-CA 3.49Å; E521-F524 WeakPolarHBondContact O-CB 3.25Å; E521-F524 PolarHBondContact O-N 3.43Å; E521-V525 PolarHBondContact O-N 2.66Å
522	L	92.8	Very high	89.7	Confident	119 Å²	119	72.6 Å²	72.6	62%	0.623	38%	0.378	S	S	*	.	H	α-helix	trans	-44	-43.3	-175.6	179.4	65.6	0	0	0	114.9	F520 F524 V525 H526	F520-L522 HydrophobicContact CD1-CB 4.35Å; F520-L522 HydrophobicContact CE1-CB 4.31Å; F520-L522 HydrophobicContact CE1-CD1 3.96Å; F520-L522 PolarHBondContact O-N 3.42Å; L522-F524 PolarHBondContact O-N 2.8Å; L522-V525 PolarHBondContact O-N 2.92Å; L522-H526 WeakPolarHBondContact O-CB 3.28Å; L522-H526 PolarHBondContact O-N 2.94Å
523	P	92.9	Very high	89.6	Confident	106 Å²	106	72.5 Å²	72.5	69%	0.688	38%	0.378	S	S	*	.	H	α-helix	trans	-64.3	-35.3	177.3	-22.4	34.9	0	0	0	113.9	E521 Q527	E521-P523 VanDerWaalsContact C-CD 3.41Å; E521-P523 VanDerWaalsContact C-N 3.31Å; E521-P523 VanDerWaalsContact O-N 3.07Å; P523-Q527 PolarHBondContact O-N 3.08Å; P523-Q527 VanDerWaalsContact O-N 3.11Å
524	F	90.1	Very high	89.8	Confident	29 Å²	29	66.8 Å²	66.8	13%	0.127	35%	0.354	C	S	.	.	H	α-helix	trans	-77	-36.5	178.2	172.2	-130	0	0	0	111.9	N510 K513 E521 L522 Q527 Q528	N510-F524 HydrophobicContact CB-CE1 3.98Å; N510-F524 HydrophobicContact CB-CZ 4.18Å; N510-F524 WeakPolarHBondContact O-CE1 3.34Å; K513-F524 HydrophobicContact CD-CD2 4.31Å; K513-F524 HydrophobicContact CD-CE2 4.46Å; K513-F524 HydrophobicContact CD-CG 4.37Å; K513-F524 VanDerWaalsContact CE-CE2 3.45Å; K513-F524 HydrophobicContact CG-CD1 3.71Å; K513-F524 HydrophobicContact CG-CD2 4.17Å; K513-F524 HydrophobicContact CG-CE1 3.71Å; K513-F524 HydrophobicContact CG-CE2 4.16Å; K513-F524 HydrophobicContact CG-CG 3.93Å; K513-F524 HydrophobicContact CG-CZ 3.94Å; E521-F524 HydrophobicContact CB-CB 4.12Å; E521-F524 WeakPolarHBondContact O-CA 3.49Å; E521-F524 WeakPolarHBondContact O-CB 3.25Å; E521-F524 PolarHBondContact O-N 3.43Å; L522-F524 PolarHBondContact O-N 2.8Å; F524-Q527 PolarHBondContact O-N 3.28Å; F524-Q528 HydrophobicContact CE2-CG 4.21Å; F524-Q528 WeakPolarHBondContact O-CG 3.4Å; F524-Q528 PolarHBondContact O-N 3.04Å; F524-Q528 PolarHBondContact O-NE2 2.92Å
525	V	92.2	Very high	90.1	Very high	9 Å²	9	68.7 Å²	68.7	6%	0.055	36%	0.359	C	S	.	.	H	α-helix	trans	-68.9	-41.6	172.9	-175.4	0	0	0	0	110.4	L509 F520 E521 L522 Q527 Q528 V529	L509-V525 HydrophobicContact CD1-CG1 4.3Å; F520-V525 HydrophobicContact CD2-CG2 4.15Å; F520-V525 HydrophobicContact CE1-CB 4.24Å; F520-V525 HydrophobicContact CE1-CG1 4.5Å; F520-V525 HydrophobicContact CE1-CG2 4.24Å; F520-V525 HydrophobicContact CE2-CB 4.21Å; F520-V525 HydrophobicContact CE2-CG1 3.99Å; F520-V525 HydrophobicContact CE2-CG2 3.72Å; F520-V525 HydrophobicContact CZ-CB 3.8Å; F520-V525 HydrophobicContact CZ-CG1 3.64Å; F520-V525 HydrophobicContact CZ-CG2 3.79Å; E521-V525 PolarHBondContact O-N 2.66Å; L522-V525 PolarHBondContact O-N 2.92Å; V525-Q527 VanDerWaalsContact C-N 3.33Å; V525-Q527 PolarHBondContact O-N 3.37Å; V525-Q528 WeakPolarHBondContact O-CB 3.3Å; V525-Q528 PolarHBondContact O-N 3.21Å; V525-V529 HydrophobicContact CG1-CG2 4.13Å; V525-V529 VanDerWaalsContact O-CG2 3.28Å; V525-V529 WeakPolarHBondContact O-CG2 3.29Å; V525-V529 PolarHBondContact O-N 3.5Å
526	H	91.9	Very high	90.3	Very high	125 Å²	125	64.7 Å²	64.7	58%	0.579	34%	0.341	S	S	*	.	H	α-helix	trans	-59	-40.2	174.5	-179.5	-145.2	0	0	0	112.7	L522 Q528 V529 K530	L522-H526 WeakPolarHBondContact O-CB 3.28Å; L522-H526 PolarHBondContact O-N 2.94Å; H526-Q528 VanDerWaalsContact C-N 3.34Å; H526-Q528 PolarHBondContact O-N 3.47Å; H526-V529 PolarHBondContact O-N 3.17Å; H526-K530 PolarHBondContact O-N 3.4Å
527	Q	90.1	Very high	90.4	Very high	75 Å²	75	62.9 Å²	62.9	35%	0.35	33%	0.329	S	S	.	.	H	α-helix	trans	-58.7	-44.5	172.1	-174.5	-177.9	1.6	0	0	111.8	F427 P523 F524 V525 K530 A531	F427-Q527 PolarHBondContact O-NE2 2.97Å; P523-Q527 PolarHBondContact O-N 3.08Å; P523-Q527 VanDerWaalsContact O-N 3.11Å; F524-Q527 PolarHBondContact O-N 3.28Å; V525-Q527 VanDerWaalsContact C-N 3.33Å; V525-Q527 PolarHBondContact O-N 3.37Å; Q527-K530 PolarHBondContact O-N 3.12Å; Q527-A531 WeakPolarHBondContact O-CB 3.47Å; Q527-A531 PolarHBondContact O-N 3.08Å
528	Q	90.8	Very high	90.4	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-68	-41.5	178.2	-69.9	168	98	0	0	112.5	S45 F427 L509 N510 F524 V525 H526 K530 A531 L532	S45-Q528 PolarHBondContact OG-OE1 3.21Å; F427-Q528 HydrophobicContact CE1-CB 4.33Å; F427-Q528 HydrophobicContact CE1-CG 3.74Å; F427-Q528 HydrophobicContact CZ-CB 4.49Å; F427-Q528 HydrophobicContact CZ-CG 4.08Å; L509-Q528 HydrophobicContact CD2-CB 3.66Å; N510-Q528 PolarHBondContact O-NE2 3.4Å; F524-Q528 HydrophobicContact CE2-CG 4.21Å; F524-Q528 WeakPolarHBondContact O-CG 3.4Å; F524-Q528 PolarHBondContact O-N 3.04Å; F524-Q528 PolarHBondContact O-NE2 2.92Å; V525-Q528 WeakPolarHBondContact O-CB 3.3Å; V525-Q528 PolarHBondContact O-N 3.21Å; H526-Q528 VanDerWaalsContact C-N 3.34Å; H526-Q528 PolarHBondContact O-N 3.47Å; Q528-K530 VanDerWaalsContact C-N 3.28Å; Q528-K530 PolarHBondContact O-N 3.05Å; Q528-A531 PolarHBondContact O-N 3.38Å; Q528-L532 HydrophobicContact CB-CD1 4.38Å; Q528-L532 VanDerWaalsContact O-CB 3.31Å; Q528-L532 WeakPolarHBondContact O-CB 3.14Å; Q528-L532 VanDerWaalsContact O-CG 3.31Å; Q528-L532 WeakPolarHBondContact O-CG 3.23Å; Q528-L532 PolarHBondContact O-N 3.15Å
529	V	91.8	Very high	90.4	Very high	43 Å²	43	59.3 Å²	59.3	26%	0.261	29%	0.294	S	S	.	.	H	α-helix	trans	-58.4	-40.9	175.8	169.3	0	0	0	0	111.1	L509 V525 H526 L534	L509-V529 HydrophobicContact CD1-CG2 4.24Å; L509-V529 HydrophobicContact CD2-CG2 4.49Å; V525-V529 HydrophobicContact CG1-CG2 4.13Å; V525-V529 VanDerWaalsContact O-CG2 3.28Å; V525-V529 WeakPolarHBondContact O-CG2 3.29Å; V525-V529 PolarHBondContact O-N 3.5Å; H526-V529 PolarHBondContact O-N 3.17Å; V529-L534 HydrophobicContact CB-CD1 4.41Å; V529-L534 HydrophobicContact CG1-CB 4.32Å; V529-L534 HydrophobicContact CG1-CD1 4.39Å; V529-L534 HydrophobicContact CG2-CD1 4.14Å; V529-L534 PolarHBondContact O-N 3.03Å
530	K	89.9	Confident	90.2	Very high	163 Å²	163	55.9 Å²	55.9	71%	0.709	28%	0.28	S	S	*	.	H	α-helix	trans	-70	-49.8	175.3	-173.2	179.3	178.9	-177.4	0	112	H526 Q527 Q528 G533	H526-K530 PolarHBondContact O-N 3.4Å; Q527-K530 PolarHBondContact O-N 3.12Å; Q528-K530 VanDerWaalsContact C-N 3.28Å; Q528-K530 PolarHBondContact O-N 3.05Å; K530-G533 PolarHBondContact O-N 2.79Å
531	A	87.4	Confident	89.8	Confident	9 Å²	9	56 Å²	56	7%	0.074	28%	0.282	C	S	.	.	H	α-helix	trans	-63	-45.5	-176.9	0	0	0	0	0	112.5	F426 F427 Q527 Q528 G533	F426-A531 HydrophobicContact CD2-CB 4.21Å; F426-A531 WeakPolarHBondContact CD2-O 3.42Å; F427-A531 HydrophobicContact CB-CB 4.49Å; F427-A531 HydrophobicContact CD1-CB 3.63Å; F427-A531 HydrophobicContact CD2-CB 4.04Å; F427-A531 HydrophobicContact CE1-CB 3.68Å; F427-A531 HydrophobicContact CE2-CB 4.09Å; F427-A531 HydrophobicContact CG-CB 3.81Å; F427-A531 HydrophobicContact CZ-CB 3.92Å; Q527-A531 WeakPolarHBondContact O-CB 3.47Å; Q527-A531 PolarHBondContact O-N 3.08Å; Q528-A531 PolarHBondContact O-N 3.38Å; A531-G533 PolarHBondContact O-N 3Å; A531-G533 VanDerWaalsContact O-N 3.15Å
532	L	89.1	Confident	89.4	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.005	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	6.8	179.2	-59.4	167.4	0	0	0	113.2	F426 F427 R507 L509 Q528 L534	F426-L532 HydrophobicContact CE2-CD2 4.3Å; F427-L532 HydrophobicContact CE2-CD2 4.09Å; F427-L532 HydrophobicContact CE2-CG 4.46Å; F427-L532 HydrophobicContact CZ-CD2 4.28Å; F427-L532 HydrophobicContact CZ-CG 4.22Å; R507-L532 VanDerWaalsContact NH1-CD2 3.31Å; L509-L532 HydrophobicContact CD2-CD1 3.69Å; Q528-L532 HydrophobicContact CB-CD1 4.38Å; Q528-L532 VanDerWaalsContact O-CB 3.31Å; Q528-L532 WeakPolarHBondContact O-CB 3.14Å; Q528-L532 VanDerWaalsContact O-CG 3.31Å; Q528-L532 WeakPolarHBondContact O-CG 3.23Å; Q528-L532 PolarHBondContact O-N 3.15Å; L532-L534 VanDerWaalsContact C-N 3.27Å; L532-L534 HydrophobicContact CB-CD2 4.22Å; L532-L534 HydrophobicContact CB-CG 4.33Å; L532-L534 PolarHBondContact O-N 3.38Å
533	G	87.5	Confident	89.1	Confident	2 Å²	2	59.2 Å²	59.2	2%	0.021	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	15.1	170.6	0	0	0	0	0	116.3	K530 A531 L535 E536 I537	K530-G533 PolarHBondContact O-N 2.79Å; A531-G533 PolarHBondContact O-N 3Å; A531-G533 VanDerWaalsContact O-N 3.15Å; G533-L535 PolarHBondContact O-N 3.33Å; G533-L535 VanDerWaalsContact O-N 3.09Å; G533-E536 WeakPolarHBondContact O-CA 3.42Å; G533-E536 WeakPolarHBondContact O-CB 3.19Å; G533-E536 PolarHBondContact O-N 2.84Å; G533-I537 PolarHBondContact O-N 3.42Å; G533-I537 VanDerWaalsContact O-N 3.08Å
534	L	90.3	Very high	88.9	Confident	14 Å²	14	54.2 Å²	54.2	7%	0.073	26%	0.258	C	S	.	.	H	α-helix	trans	-57.6	-33.6	-169.6	-55.4	-173.5	0	0	0	113.2	R507 L509 V529 L532 I537 L538	R507-L534 HydrophobicContact CB-CD2 3.71Å; R507-L534 HydrophobicContact CG-CD2 3.68Å; L509-L534 HydrophobicContact CD1-CD1 4.16Å; L509-L534 HydrophobicContact CD2-CD1 4.36Å; V529-L534 HydrophobicContact CB-CD1 4.41Å; V529-L534 HydrophobicContact CG1-CB 4.32Å; V529-L534 HydrophobicContact CG1-CD1 4.39Å; V529-L534 HydrophobicContact CG2-CD1 4.14Å; V529-L534 PolarHBondContact O-N 3.03Å; L532-L534 VanDerWaalsContact C-N 3.27Å; L532-L534 HydrophobicContact CB-CD2 4.22Å; L532-L534 HydrophobicContact CB-CG 4.33Å; L532-L534 PolarHBondContact O-N 3.38Å; L534-I537 HydrophobicContact CD2-CD1 4.06Å; L534-I537 PolarHBondContact O-N 2.8Å; L534-L538 WeakPolarHBondContact O-CG 3.32Å; L534-L538 PolarHBondContact O-N 3.36Å
535	L	89.8	Confident	88.8	Confident	109 Å²	109	53.2 Å²	53.2	57%	0.571	25%	0.253	S	S	*	.	H	α-helix	trans	-71.3	-30.6	178.9	-152.4	152.5	0	0	0	112	G533 K539	G533-L535 PolarHBondContact O-N 3.33Å; G533-L535 VanDerWaalsContact O-N 3.09Å; L535-K539 WeakPolarHBondContact O-CG 3.46Å; L535-K539 PolarHBondContact O-N 2.89Å; L535-K539 VanDerWaalsContact O-N 3.1Å
536	E	89.6	Confident	88.3	Confident	17 Å²	17	55.3 Å²	55.3	8%	0.079	27%	0.267	C	S	.	.	H	α-helix	trans	-74.8	-37.2	171.5	-59	-56.5	114.8	0	0	111.8	F341 V359 G360 L363 G533 L538 K539 M540	F341-E536 HydrophobicContact CE1-CB 4Å; F341-E536 HydrophobicContact CZ-CB 3.8Å; V359-E536 HydrophobicContact CG1-CB 4.18Å; V359-E536 WeakPolarHBondContact CG1-O 3.46Å; G360-E536 PolarHBondContact N-OE2 3.43Å; G360-E536 VanDerWaalsContact N-OE2 3.12Å; L363-E536 HydrophobicContact CD1-CB 3.84Å; L363-E536 HydrophobicContact CD1-CG 3.83Å; L363-E536 HydrophobicContact CD2-CG 4.5Å; L363-E536 HydrophobicContact CG-CG 4.08Å; G533-E536 WeakPolarHBondContact O-CA 3.42Å; G533-E536 WeakPolarHBondContact O-CB 3.19Å; G533-E536 PolarHBondContact O-N 2.84Å; E536-L538 VanDerWaalsContact C-N 3.31Å; E536-L538 PolarHBondContact O-N 2.89Å; E536-K539 WeakPolarHBondContact O-CB 3.41Å; E536-K539 PolarHBondContact O-N 2.71Å; E536-K539 VanDerWaalsContact OE1-CE 3.31Å; E536-K539 WeakPolarHBondContact OE1-CE 3.25Å; E536-K539 IonicContact OE1-NZ 2.71Å; E536-K539 PolarHBondContact OE1-NZ 2.79Å; E536-K539 IonicContact OE2-NZ 2.7Å; E536-K539 PolarHBondContact OE2-NZ 3.46Å; E536-M540 PolarHBondContact O-N 2.84Å
537	I	88.1	Confident	88	Confident	40 Å²	40	50.9 Å²	50.9	21%	0.205	25%	0.247	C	C	.	.	H	α-helix	trans	-57	-47.9	172.1	-59.4	173.8	0	0	0	109.7	F336 F341 G533 L534 K539 M540 Q541	F336-I537 HydrophobicContact CE2-CD1 4.19Å; F336-I537 HydrophobicContact CZ-CD1 3.72Å; F336-I537 HydrophobicContact CZ-CG1 3.84Å; F341-I537 HydrophobicContact CZ-CG1 3.96Å; G533-I537 PolarHBondContact O-N 3.42Å; G533-I537 VanDerWaalsContact O-N 3.08Å; L534-I537 HydrophobicContact CD2-CD1 4.06Å; L534-I537 PolarHBondContact O-N 2.8Å; I537-K539 VanDerWaalsContact C-N 3.35Å; I537-K539 PolarHBondContact O-N 2.84Å; I537-M540 WeakPolarHBondContact O-CB 3.23Å; I537-M540 PolarHBondContact O-N 2.87Å; I537-M540 VanDerWaalsContact O-N 3.13Å; I537-Q541 HydrophobicContact CG2-CG 4.46Å; I537-Q541 WeakPolarHBondContact O-CG 3.46Å; I537-Q541 PolarHBondContact O-N 2.84Å
538	L	88	Confident	87.9	Confident	82 Å²	82	50.9 Å²	50.9	43%	0.429	24%	0.243	S	C	.	.	H	α-helix	trans	-64.6	-34.3	178.1	-69.6	170.8	0	0	0	112.9	L534 E536 K542 F1161	L534-L538 WeakPolarHBondContact O-CG 3.32Å; L534-L538 PolarHBondContact O-N 3.36Å; E536-L538 VanDerWaalsContact C-N 3.31Å; E536-L538 PolarHBondContact O-N 2.89Å; L538-K542 WeakPolarHBondContact O-CB 3.34Å; L538-K542 PolarHBondContact O-N 2.92Å; L538-F1161 HydrophobicContact CD1-CZ 4.43Å
539	K	89	Confident	87.9	Confident	74 Å²	74	52.9 Å²	52.9	32%	0.322	25%	0.254	S	S	.	.	H	α-helix	trans	-62.7	-47.5	169.2	-73.7	173.4	-177.2	172.9	0	111.2	V359 L535 E536 I537 Q541 K542 F543	V359-K539 HydrophobicContact CG1-CB 3.96Å; V359-K539 HydrophobicContact CG2-CB 4.4Å; L535-K539 WeakPolarHBondContact O-CG 3.46Å; L535-K539 PolarHBondContact O-N 2.89Å; L535-K539 VanDerWaalsContact O-N 3.1Å; E536-K539 WeakPolarHBondContact O-CB 3.41Å; E536-K539 PolarHBondContact O-N 2.71Å; E536-K539 VanDerWaalsContact OE1-CE 3.31Å; E536-K539 WeakPolarHBondContact OE1-CE 3.25Å; E536-K539 IonicContact OE1-NZ 2.71Å; E536-K539 PolarHBondContact OE1-NZ 2.79Å; E536-K539 IonicContact OE2-NZ 2.7Å; E536-K539 PolarHBondContact OE2-NZ 3.46Å; I537-K539 VanDerWaalsContact C-N 3.35Å; I537-K539 PolarHBondContact O-N 2.84Å; K539-Q541 PolarHBondContact O-N 2.92Å; K539-K542 PolarHBondContact O-N 3.31Å; K539-F543 HydrophobicContact CB-CD2 4.21Å; K539-F543 HydrophobicContact CB-CE2 4.45Å; K539-F543 HydrophobicContact CG-CE2 4.41Å; K539-F543 WeakPolarHBondContact O-CB 3.01Å; K539-F543 VanDerWaalsContact O-CD2 3.24Å; K539-F543 WeakPolarHBondContact O-CD2 3.11Å; K539-F543 PolarHBondContact O-N 2.58Å
540	M	87.3	Confident	87.9	Confident	16 Å²	16	53 Å²	53	8%	0.079	26%	0.255	C	S	.	.	H	α-helix	trans	-62	-44.8	-178	-166.7	62.9	-174.6	0	0	111.4	F341 E344 Q345 Y348 W355 V359 E536 I537 G544	F341-M540 HydrophobicContact CD1-CB 4.12Å; F341-M540 HydrophobicContact CD1-CG 4.12Å; F341-M540 HydrophobicContact CD1-SD 4.41Å; F341-M540 HydrophobicContact CE1-CB 3.9Å; F341-M540 HydrophobicContact CE1-CG 4.35Å; E344-M540 HydrophobicContact CB-CE 3.39Å; E344-M540 HydrophobicContact CG-CE 4.13Å; Q345-M540 HydrophobicContact CG-CE 4.09Å; Y348-M540 HydrophobicContact CE2-CE 3.75Å; W355-M540 HydrophobicContact CH2-CE 4.49Å; W355-M540 HydrophobicContact CH2-SD 3.77Å; W355-M540 HydrophobicContact CZ2-CE 4.45Å; W355-M540 HydrophobicContact CZ2-SD 3.81Å; V359-M540 HydrophobicContact CB-SD 4.4Å; V359-M540 HydrophobicContact CG1-CB 4.09Å; V359-M540 HydrophobicContact CG1-SD 4.45Å; E536-M540 PolarHBondContact O-N 2.84Å; I537-M540 WeakPolarHBondContact O-CB 3.23Å; I537-M540 PolarHBondContact O-N 2.87Å; I537-M540 VanDerWaalsContact O-N 3.13Å; M540-G544 VanDerWaalsContact O-CA 3.24Å; M540-G544 WeakPolarHBondContact O-CA 3.37Å; M540-G544 PolarHBondContact O-N 2.63Å
541	Q	83.9	Confident	88	Confident	100 Å²	100	45.4 Å²	45.4	47%	0.467	22%	0.222	S	C	.	.	H	α-helix	trans	-66	-38.3	175	-70.6	176.5	-38.4	0	0	113	I537 K539	I537-Q541 HydrophobicContact CG2-CG 4.46Å; I537-Q541 WeakPolarHBondContact O-CG 3.46Å; I537-Q541 PolarHBondContact O-N 2.84Å; K539-Q541 PolarHBondContact O-N 2.92Å
542	K	85.7	Confident	88.1	Confident	140 Å²	140	47.7 Å²	47.7	61%	0.609	24%	0.235	S	C	*	.	H	α-helix	trans	-72	-42	-178.6	177.4	172.6	176.6	172.4	0	113.4	L538 K539 K602	L538-K542 WeakPolarHBondContact O-CB 3.34Å; L538-K542 PolarHBondContact O-N 2.92Å; K539-K542 PolarHBondContact O-N 3.31Å; K542-K602 WeakPolarHBondContact O-CE 3.49Å; K542-K602 PolarHBondContact O-NZ 2.94Å
543	F	86.1	Confident	88.1	Confident	90 Å²	90	52.3 Å²	52.3	40%	0.395	26%	0.256	S	S	.	.	H	α-helix	trans	-100	-31.2	-173.1	-62.5	-61.3	0	0	0	113.5	W355 Q357 K539	W355-F543 HydrophobicContact CH2-CB 4.29Å; W355-F543 HydrophobicContact CZ3-CB 4.12Å; Q357-F543 HydrophobicContact CG-CB 4.48Å; K539-F543 HydrophobicContact CB-CD2 4.21Å; K539-F543 HydrophobicContact CB-CE2 4.45Å; K539-F543 HydrophobicContact CG-CE2 4.41Å; K539-F543 WeakPolarHBondContact O-CB 3.01Å; K539-F543 VanDerWaalsContact O-CD2 3.24Å; K539-F543 WeakPolarHBondContact O-CD2 3.11Å; K539-F543 PolarHBondContact O-N 2.58Å
544	G	87.9	Confident	88.3	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-79.6	-172.6	178.7	0	0	0	0	0	113.5	M540 K602	M540-G544 VanDerWaalsContact O-CA 3.24Å; M540-G544 WeakPolarHBondContact O-CA 3.37Å; M540-G544 PolarHBondContact O-N 2.63Å; G544-K602 WeakPolarHBondContact O-CD 3.21Å; G544-K602 WeakPolarHBondContact O-CE 3.2Å; G544-K602 WeakPolarHBondContact O-CG 3.43Å
545	F	88.6	Confident	88.3	Confident	9 Å²	9	51.9 Å²	51.9	4%	0.039	25%	0.253	C	S	.	.			trans	-130.1	82.3	-178.4	-59.1	-82.2	0	0	0	108.5	Y348 I353 H547 R593 F600 M601 K602	Y348-F545 PolarHBondContact OH-N 3.2Å; Y348-F545 PolarHBondContact OH-O 3.29Å; I353-F545 HydrophobicContact CG2-CD2 4.25Å; I353-F545 HydrophobicContact CG2-CE2 4.32Å; F545-H547 VanDerWaalsContact C-N 3.27Å; F545-H547 PolarHBondContact O-N 3.05Å; F545-R593 HydrophobicContact CD2-CG 4.32Å; F545-R593 HydrophobicContact CE1-CG 4.1Å; F545-R593 HydrophobicContact CE2-CG 3.7Å; F545-R593 HydrophobicContact CZ-CG 3.58Å; F545-F600 HydrophobicContact CB-CB 3.76Å; F545-F600 HydrophobicContact CB-CD1 4.34Å; F545-F600 HydrophobicContact CG-CB 4.24Å; F545-M601 CarbonylContact C-O 3.57Å; F545-K602 HydrophobicContact CD1-CG 3.8Å; F545-K602 HydrophobicContact CE1-CG 4.18Å
546	P	80.6	Confident	88.2	Confident	53 Å²	53	52 Å²	52	34%	0.344	26%	0.255	S	S	.	.			trans	-70.5	-18.4	-168.8	26.4	-34.7	0	0	0	114.2
547	H	86.4	Confident	88.1	Confident	32 Å²	32	55 Å²	55	15%	0.148	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.8	177.5	-52.9	-82.6	0	0	0	110.2	F545 M601 E603 L606	F545-H547 VanDerWaalsContact C-N 3.27Å; F545-H547 PolarHBondContact O-N 3.05Å; H547-M601 HydrophobicContact CB-CB 4.39Å; H547-M601 PolarHBondContact N-O 2.9Å; H547-M601 VanDerWaalsContact N-O 3.11Å; H547-M601 PolarHBondContact O-N 2.91Å; H547-E603 IonicContact CE1-OE1 2.97Å; H547-E603 WeakPolarHBondContact NE2-CA 3.3Å; H547-E603 IonicContact NE2-OE1 3.44Å; H547-L606 HydrophobicContact CB-CD2 4.18Å; H547-L606 VanDerWaalsContact ND1-CD2 3.3Å; H547-L606 WeakPolarHBondContact ND1-CD2 3.12Å
548	R	88.7	Confident	88.1	Confident	74 Å²	74	53.1 Å²	53.1	28%	0.279	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	142.3	178.3	58.6	-170.9	-180	-91.9	20.2	112.1	E344 E347 V599 F600	E344-R548 IonicContact OE1-CZ 3.46Å; E344-R548 IonicContact OE1-NH1 2.71Å; E344-R548 PolarHBondContact OE1-NH1 2.81Å; E344-R548 IonicContact OE1-NH2 2.71Å; E344-R548 PolarHBondContact OE1-NH2 2.72Å; E344-R548 IonicContact OE2-CZ 2.89Å; E344-R548 IonicContact OE2-NH1 2.66Å; E344-R548 PolarHBondContact OE2-NH1 2.74Å; E344-R548 IonicContact OE2-NH2 3.84Å; E347-R548 WeakPolarHBondContact OE1-CD 3.24Å; E347-R548 IonicContact OE1-CZ 3.37Å; E347-R548 IonicContact OE1-NE 3.29Å; E347-R548 PolarHBondContact OE1-NE 2.9Å; E347-R548 IonicContact OE2-CZ 2.75Å; E347-R548 IonicContact OE2-NE 2.67Å; E347-R548 PolarHBondContact OE2-NE 3.4Å; E347-R548 IonicContact OE2-NH2 3.43Å; E347-R548 PolarHBondContact OE2-NH2 3.04Å; R548-V599 VanDerWaalsContact CA-O 3.28Å; R548-V599 WeakPolarHBondContact CA-O 3.4Å; R548-F600 HydrophobicContact CB-CD1 3.9Å; R548-F600 HydrophobicContact CB-CE1 3.93Å; R548-F600 HydrophobicContact CB-CG 4.45Å; R548-F600 HydrophobicContact CG-CE1 4.47Å
549	L	90.1	Very high	88.1	Confident	43 Å²	43	49.2 Å²	49.2	23%	0.225	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	141.5	176.6	-67.1	173.4	0	0	0	108.3	E553 F554 Y558 K598 V599 M601	L549-E553 HydrophobicContact CB-CB 4.3Å; L549-E553 HydrophobicContact CD2-CB 4.3Å; L549-F554 HydrophobicContact CB-CB 4.27Å; L549-F554 HydrophobicContact CD1-CD2 4.22Å; L549-Y558 HydrophobicContact CD1-CE2 3.89Å; L549-K598 CarbonylContact O-C 3.52Å; L549-K598 VanDerWaalsContact O-CA 3.24Å; L549-K598 WeakPolarHBondContact O-CA 3.19Å; L549-K598 WeakPolarHBondContact O-CB 3.32Å; L549-V599 PolarHBondContact N-O 3.42Å; L549-V599 VanDerWaalsContact N-O 3.09Å; L549-V599 PolarHBondContact O-N 2.72Å; L549-M601 HydrophobicContact CD1-CE 4.2Å
550	T	91.8	Very high	87.9	Confident	45 Å²	45	50.1 Å²	50.1	28%	0.276	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	156.7	166.8	63.9	0	0	0	0	110.4	T552 E553 F554 T597 K598	T550-T552 PolarHBondContact O-N 2.84Å; T550-E553 VanDerWaalsContact CB-OE2 3.26Å; T550-E553 WeakPolarHBondContact CB-OE2 3.36Å; T550-E553 WeakPolarHBondContact CG2-OE2 3.47Å; T550-E553 PolarHBondContact N-OE2 2.86Å; T550-E553 PolarHBondContact O-N 2.82Å; T550-E553 VanDerWaalsContact O-N 3.13Å; T550-E553 VanDerWaalsContact OG1-CG 3.28Å; T550-E553 WeakPolarHBondContact OG1-CG 3.2Å; T550-E553 PolarHBondContact OG1-N 2.98Å; T550-E553 PolarHBondContact OG1-OE2 2.81Å; T550-F554 WeakPolarHBondContact O-CB 3.28Å; T550-F554 PolarHBondContact O-N 2.88Å; T550-T597 WeakPolarHBondContact CA-O 3.39Å; T550-K598 HydrophobicContact CG2-CG 4.33Å
551	Y	92.3	Very high	87.7	Confident	3 Å²	3	49.5 Å²	49.5	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-56.6	-37.7	177.5	-58.2	-42.9	0	0	0	112.5	F554 I555 R574 C577 L594 G595 K596 T597 K598 V599	Y551-F554 PolarHBondContact O-N 2.63Å; Y551-I555 WeakPolarHBondContact O-CB 3.5Å; Y551-I555 WeakPolarHBondContact O-CD1 3.09Å; Y551-I555 WeakPolarHBondContact O-CG1 3.36Å; Y551-I555 PolarHBondContact O-N 2.77Å; Y551-R574 HydrophobicContact CD2-CB 4.23Å; Y551-R574 HydrophobicContact CE1-CG 4.34Å; Y551-R574 HydrophobicContact CE2-CB 3.84Å; Y551-R574 HydrophobicContact CE2-CG 4.1Å; Y551-R574 WeakPolarHBondContact OH-CD 3.32Å; Y551-C577 HydrophobicContact CD1-CB 4.28Å; Y551-L594 HydrophobicContact CE1-CD2 3.8Å; Y551-G595 PolarHBondContact OH-N 3.49Å; Y551-G595 PolarHBondContact OH-O 2.99Å; Y551-K596 WeakPolarHBondContact CE2-O 2.99Å; Y551-T597 WeakPolarHBondContact CD2-O 3.34Å; Y551-T597 PolarHBondContact N-O 3.26Å; Y551-K598 WeakPolarHBondContact CE1-O 3.26Å; Y551-V599 HydrophobicContact CD1-CG2 3.63Å; Y551-V599 HydrophobicContact CE1-CG2 3.88Å
552	T	89.7	Confident	87.6	Confident	57 Å²	57	48.8 Å²	48.8	35%	0.35	24%	0.236	S	C	.	.	H	α-helix	trans	-60.7	-47.6	174.5	-48.1	0	0	0	0	112.4	T550 I555 N556 Q573	T550-T552 PolarHBondContact O-N 2.84Å; T552-I555 PolarHBondContact O-N 3.39Å; T552-N556 WeakPolarHBondContact O-CB 3.07Å; T552-N556 PolarHBondContact O-N 3.38Å; T552-N556 PolarHBondContact O-ND2 3.37Å; T552-Q573 PolarHBondContact OG1-NE2 3.09Å
553	E	89.8	Confident	87.1	Confident	99 Å²	99	45.1 Å²	45.1	46%	0.463	24%	0.238	S	C	.	.	H	α-helix	trans	-66	-41.3	178.6	-69.4	158.6	142.8	0	0	111.8	L549 T550 N556 K557	L549-E553 HydrophobicContact CB-CB 4.3Å; L549-E553 HydrophobicContact CD2-CB 4.3Å; T550-E553 VanDerWaalsContact CB-OE2 3.26Å; T550-E553 WeakPolarHBondContact CB-OE2 3.36Å; T550-E553 WeakPolarHBondContact CG2-OE2 3.47Å; T550-E553 PolarHBondContact N-OE2 2.86Å; T550-E553 PolarHBondContact O-N 2.82Å; T550-E553 VanDerWaalsContact O-N 3.13Å; T550-E553 VanDerWaalsContact OG1-CG 3.28Å; T550-E553 WeakPolarHBondContact OG1-CG 3.2Å; T550-E553 PolarHBondContact OG1-N 2.98Å; T550-E553 PolarHBondContact OG1-OE2 2.81Å; E553-N556 PolarHBondContact O-N 3.4Å; E553-K557 WeakPolarHBondContact O-CB 3.28Å; E553-K557 PolarHBondContact O-N 2.99Å
554	F	91	Very high	86.3	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.3	-44.5	176.8	-172.9	-82.8	0	0	0	111.7	L549 T550 Y551 K557 Y558 C577 I580 L581 V599 M601 L609	L549-F554 HydrophobicContact CB-CB 4.27Å; L549-F554 HydrophobicContact CD1-CD2 4.22Å; T550-F554 WeakPolarHBondContact O-CB 3.28Å; T550-F554 PolarHBondContact O-N 2.88Å; Y551-F554 PolarHBondContact O-N 2.63Å; F554-K557 PolarHBondContact O-N 3.47Å; F554-Y558 HydrophobicContact CD1-CD2 4.05Å; F554-Y558 AromaticContact CD2-CD2 3.52Å; F554-Y558 HydrophobicContact CD2-CD2 3.52Å; F554-Y558 AromaticContact CD2-CE2 3.64Å; F554-Y558 HydrophobicContact CD2-CE2 3.64Å; F554-Y558 AromaticContact CE1-CD2 3.96Å; F554-Y558 HydrophobicContact CE1-CD2 3.96Å; F554-Y558 AromaticContact CE2-CD2 3.42Å; F554-Y558 HydrophobicContact CE2-CD2 3.42Å; F554-Y558 VanDerWaalsContact CE2-CD2 3.42Å; F554-Y558 AromaticContact CE2-CE2 3.6Å; F554-Y558 HydrophobicContact CE2-CE2 3.6Å; F554-Y558 HydrophobicContact CE2-CG 4.49Å; F554-Y558 AromaticContact CG-CD2 3.82Å; F554-Y558 HydrophobicContact CG-CD2 3.82Å; F554-Y558 HydrophobicContact CG-CE2 4.32Å; F554-Y558 AromaticContact CZ-CD2 3.64Å; F554-Y558 HydrophobicContact CZ-CD2 3.64Å; F554-Y558 HydrophobicContact CZ-CE2 4.26Å; F554-Y558 HydrophobicContact CZ-CG 4.36Å; F554-Y558 WeakPolarHBondContact O-CB 3.16Å; F554-Y558 WeakPolarHBondContact O-CD2 3.38Å; F554-Y558 PolarHBondContact O-N 2.84Å; F554-C577 HydrophobicContact CD1-CB 4.04Å; F554-C577 HydrophobicContact CE1-CB 4.29Å; F554-I580 HydrophobicContact CD1-CD1 4.36Å; F554-I580 HydrophobicContact CE1-CB 4.01Å; F554-I580 HydrophobicContact CE1-CD1 4.03Å; F554-I580 HydrophobicContact CE1-CG2 3.85Å; F554-I580 HydrophobicContact CZ-CG2 4.17Å; F554-L581 HydrophobicContact CE1-CG 4.31Å; F554-L581 HydrophobicContact CE2-CD2 4.15Å; F554-L581 HydrophobicContact CE2-CG 4.48Å; F554-L581 HydrophobicContact CZ-CD1 4.21Å; F554-L581 HydrophobicContact CZ-CD2 3.72Å; F554-L581 HydrophobicContact CZ-CG 3.74Å; F554-V599 HydrophobicContact CB-CG2 3.88Å; F554-V599 HydrophobicContact CD1-CG2 4.27Å; F554-V599 HydrophobicContact CD2-CB 3.95Å; F554-V599 HydrophobicContact CD2-CG1 4.02Å; F554-V599 HydrophobicContact CD2-CG2 3.76Å; F554-V599 HydrophobicContact CE2-CB 4.48Å; F554-V599 HydrophobicContact CE2-CG1 4.05Å; F554-V599 HydrophobicContact CE2-CG2 4.42Å; F554-V599 HydrophobicContact CG-CB 4.38Å; F554-V599 HydrophobicContact CG-CG2 3.69Å; F554-M601 HydrophobicContact CD2-CE 4.13Å; F554-M601 HydrophobicContact CD2-SD 4.45Å; F554-M601 HydrophobicContact CE2-CE 4.02Å; F554-M601 HydrophobicContact CE2-SD 3.8Å; F554-L609 HydrophobicContact CE2-CD1 3.83Å; F554-L609 HydrophobicContact CZ-CD1 4.03Å
555	I	90.3	Very high	85.3	Confident	6 Å²	6	50.9 Å²	50.9	3%	0.031	27%	0.265	C	S	.	.	H	α-helix	trans	-67.4	-38.3	176.2	-66.1	160.7	0	0	0	110.9	Y551 T552 G559 Q573 Q576	Y551-I555 WeakPolarHBondContact O-CB 3.5Å; Y551-I555 WeakPolarHBondContact O-CD1 3.09Å; Y551-I555 WeakPolarHBondContact O-CG1 3.36Å; Y551-I555 PolarHBondContact O-N 2.77Å; T552-I555 PolarHBondContact O-N 3.39Å; I555-G559 WeakPolarHBondContact O-CA 3.21Å; I555-G559 PolarHBondContact O-N 2.94Å; I555-Q573 HydrophobicContact CD1-CB 3.73Å; I555-Q573 HydrophobicContact CD1-CG 3.77Å; I555-Q576 HydrophobicContact CD1-CB 4.01Å; I555-Q576 HydrophobicContact CG1-CB 4.22Å
556	N	87.8	Confident	84.3	Confident	113 Å²	113	53 Å²	53	60%	0.604	28%	0.282	S	S	*	.	H	α-helix	trans	-66.2	-38.7	176.4	-71.8	-14.2	0	0	0	112.3	T552 E553	T552-N556 WeakPolarHBondContact O-CB 3.07Å; T552-N556 PolarHBondContact O-N 3.38Å; T552-N556 PolarHBondContact O-ND2 3.37Å; E553-N556 PolarHBondContact O-N 3.4Å
557	K	86.5	Confident	83.8	Confident	79 Å²	79	51.4 Å²	51.4	34%	0.343	27%	0.273	S	S	.	.	H	α-helix	trans	-78.3	-37.5	178.8	-167.7	176.4	171.7	-159.1	0	113.3	E553 F554 F560 D610	E553-K557 WeakPolarHBondContact O-CB 3.28Å; E553-K557 PolarHBondContact O-N 2.99Å; F554-K557 PolarHBondContact O-N 3.47Å; K557-F560 WeakPolarHBondContact O-CE1 3.47Å; K557-D610 WeakPolarHBondContact CE-OD1 3.26Å; K557-D610 IonicContact NZ-OD1 2.68Å; K557-D610 PolarHBondContact NZ-OD1 2.71Å; K557-D610 IonicContact NZ-OD2 3.04Å; K557-D610 PolarHBondContact NZ-OD2 3.1Å
558	Y	89.6	Confident	83.2	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-121.2	-8.7	-169.9	-51.1	-63.1	0	0	0	115.8	L549 F554 F560 L561 L606 L609 V613	L549-Y558 HydrophobicContact CD1-CE2 3.89Å; F554-Y558 HydrophobicContact CD1-CD2 4.05Å; F554-Y558 AromaticContact CD2-CD2 3.52Å; F554-Y558 HydrophobicContact CD2-CD2 3.52Å; F554-Y558 AromaticContact CD2-CE2 3.64Å; F554-Y558 HydrophobicContact CD2-CE2 3.64Å; F554-Y558 AromaticContact CE1-CD2 3.96Å; F554-Y558 HydrophobicContact CE1-CD2 3.96Å; F554-Y558 AromaticContact CE2-CD2 3.42Å; F554-Y558 HydrophobicContact CE2-CD2 3.42Å; F554-Y558 VanDerWaalsContact CE2-CD2 3.42Å; F554-Y558 AromaticContact CE2-CE2 3.6Å; F554-Y558 HydrophobicContact CE2-CE2 3.6Å; F554-Y558 HydrophobicContact CE2-CG 4.49Å; F554-Y558 AromaticContact CG-CD2 3.82Å; F554-Y558 HydrophobicContact CG-CD2 3.82Å; F554-Y558 HydrophobicContact CG-CE2 4.32Å; F554-Y558 AromaticContact CZ-CD2 3.64Å; F554-Y558 HydrophobicContact CZ-CD2 3.64Å; F554-Y558 HydrophobicContact CZ-CE2 4.26Å; F554-Y558 HydrophobicContact CZ-CG 4.36Å; F554-Y558 WeakPolarHBondContact O-CB 3.16Å; F554-Y558 WeakPolarHBondContact O-CD2 3.38Å; F554-Y558 PolarHBondContact O-N 2.84Å; Y558-F560 PolarHBondContact O-N 3.32Å; Y558-F560 VanDerWaalsContact O-N 3.15Å; Y558-L561 VanDerWaalsContact O-CB 3.23Å; Y558-L561 WeakPolarHBondContact O-CB 3.4Å; Y558-L561 VanDerWaalsContact O-CG 3.29Å; Y558-L561 WeakPolarHBondContact O-CG 3.41Å; Y558-L561 PolarHBondContact O-N 2.81Å; Y558-L606 WeakPolarHBondContact OH-CD1 3.45Å; Y558-L609 HydrophobicContact CD1-CB 4.15Å; Y558-L609 HydrophobicContact CD1-CD2 4.5Å; Y558-L609 HydrophobicContact CD2-CD1 4.4Å; Y558-L609 HydrophobicContact CE1-CB 3.76Å; Y558-L609 HydrophobicContact CE2-CD1 4.11Å; Y558-V613 HydrophobicContact CD1-CG2 3.68Å; Y558-V613 HydrophobicContact CE1-CG2 4.04Å
559	G	86.6	Confident	83	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.01	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-59.8	-29.2	-174.2	0	0	0	0	0	114.5	I555 L561 Q562 G563 C564	I555-G559 WeakPolarHBondContact O-CA 3.21Å; I555-G559 PolarHBondContact O-N 2.94Å; G559-L561 PolarHBondContact O-N 3.07Å; G559-Q562 PolarHBondContact O-N 2.78Å; G559-Q562 VanDerWaalsContact O-N 3.09Å; G559-G563 PolarHBondContact O-N 3.38Å; G559-C564 PolarHBondContact O-N 2.8Å
560	F	85	Confident	82.6	Confident	92 Å²	92	63 Å²	63	40%	0.404	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-63.4	-18.6	174.6	82.7	-89.7	0	0	0	113.4	K557 Y558 Q562 V613 R616 L617	K557-F560 WeakPolarHBondContact O-CE1 3.47Å; Y558-F560 PolarHBondContact O-N 3.32Å; Y558-F560 VanDerWaalsContact O-N 3.15Å; F560-Q562 PolarHBondContact O-N 2.7Å; F560-V613 HydrophobicContact CE1-CG1 4.29Å; F560-V613 HydrophobicContact CE1-CG2 3.94Å; F560-V613 HydrophobicContact CZ-CB 4.19Å; F560-V613 HydrophobicContact CZ-CG1 3.99Å; F560-V613 HydrophobicContact CZ-CG2 3.86Å; F560-R616 HydrophobicContact CE2-CB 4.26Å; F560-L617 HydrophobicContact CE2-CD2 4.2Å; F560-L617 HydrophobicContact CE2-CG 4.47Å; F560-L617 HydrophobicContact CZ-CD2 4.1Å; F560-L617 HydrophobicContact CZ-CG 4.07Å
561	L	84.6	Confident	82.2	Confident	4 Å²	4	63.5 Å²	63.5	2%	0.021	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-65.7	-23.3	174.2	-61	-178	0	0	0	112.7	Y558 G559 V584 L609 T612 V613 R616	Y558-L561 VanDerWaalsContact O-CB 3.23Å; Y558-L561 WeakPolarHBondContact O-CB 3.4Å; Y558-L561 VanDerWaalsContact O-CG 3.29Å; Y558-L561 WeakPolarHBondContact O-CG 3.41Å; Y558-L561 PolarHBondContact O-N 2.81Å; G559-L561 PolarHBondContact O-N 3.07Å; L561-V584 HydrophobicContact CD1-CG2 4.26Å; L561-L609 HydrophobicContact CD1-CD2 4.39Å; L561-T612 HydrophobicContact CD1-CG2 4.32Å; L561-T612 HydrophobicContact CD2-CG2 4.2Å; L561-V613 HydrophobicContact CD1-CG2 4.24Å; L561-V613 HydrophobicContact CD2-CG2 4.29Å; L561-V613 HydrophobicContact CG-CG2 4.48Å; L561-R616 HydrophobicContact CD2-CG 4.49Å; L561-R616 PolarHBondContact O-NH1 3.2Å; L561-R616 PolarHBondContact O-NH2 3.2Å
562	Q	80.5	Confident	82	Confident	84 Å²	84	66.4 Å²	66.4	39%	0.393	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	6.6	179.6	-73.5	-62.9	-43.2	0	0	113.7	G559 F560 C564 I580 A583	G559-Q562 PolarHBondContact O-N 2.78Å; G559-Q562 VanDerWaalsContact O-N 3.09Å; F560-Q562 PolarHBondContact O-N 2.7Å; Q562-C564 PolarHBondContact O-N 2.96Å; Q562-I580 HydrophobicContact CB-CG1 4.24Å; Q562-I580 HydrophobicContact CG-CG1 4.15Å; Q562-A583 HydrophobicContact CG-CB 4.34Å; Q562-A583 VanDerWaalsContact NE2-CB 3.26Å
563	G	74.8	Confident	81.9	Confident	64 Å²	64	64.6 Å²	64.6	66%	0.66	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	20.1	-176.9	0	0	0	0	0	114.3	G559	G559-G563 PolarHBondContact O-N 3.38Å
564	C	69.4	Low	81.9	Confident	24 Å²	24	64.9 Å²	64.9	16%	0.162	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-69.8	130.2	-179.5	-64.5	0	0	0	0	111	G559 Q562	G559-C564 PolarHBondContact O-N 2.8Å; Q562-C564 PolarHBondContact O-N 2.96Å
565	K	68.4	Low	81.8	Confident	186 Å²	186	68.2 Å²	68.2	81%	0.809	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-90.4	136.4	162.9	-65.9	-175.7	179.9	-178.1	0	108.5	A567 Q576	K565-A567 PolarHBondContact O-N 2.84Å; K565-Q576 PolarHBondContact O-NE2 3.39Å; K565-Q576 VanDerWaalsContact O-NE2 3.1Å; K565-Q576 PolarHBondContact O-OE1 3.13Å
566	S	67.5	Low	81.7	Confident	55 Å²	55	68.6 Å²	68.6	39%	0.385	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-56.3	127.9	179.4	-168	0	0	0	0	111.2
567	A	69.6	Low	81.9	Confident	19 Å²	19	63.2 Å²	63.2	16%	0.157	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-90.8	150.7	176.4	0	0	0	0	0	110.9	K565 E572 Q573	K565-A567 PolarHBondContact O-N 2.84Å; A567-E572 HydrophobicContact CB-CB 4.08Å; A567-E572 HydrophobicContact CB-CG 3.72Å; A567-Q573 HydrophobicContact CB-CG 4.4Å; A567-Q573 WeakPolarHBondContact O-CG 3.04Å; A567-Q573 PolarHBondContact O-NE2 3.3Å
568	N	74.1	Confident	82	Confident	170 Å²	170	62.6 Å²	62.6	91%	0.909	33%	0.333	S	S	*	.	S	Bend	trans	-78.9	-20.7	176.7	-69.4	-3	0	0	0	113.3
569	D	84.1	Confident	81.8	Confident	91 Å²	91	69.1 Å²	69.1	49%	0.487	36%	0.358	S	S	.	.	S	Bend	trans	-92.9	137.2	179.7	166.9	50.3	0	0	0	112.2	A571 E572 Q573	D569-A571 PolarHBondContact O-N 3.25Å; D569-A571 PolarHBondContact OD1-N 2.67Å; D569-A571 WeakPolarHBondContact OD2-CA 3.3Å; D569-A571 VanDerWaalsContact OD2-CB 3.31Å; D569-A571 WeakPolarHBondContact OD2-CB 3.5Å; D569-A571 PolarHBondContact OD2-N 3.31Å; D569-A571 VanDerWaalsContact OD2-N 3.11Å; D569-E572 PolarHBondContact OD2-N 3.21Å; D569-Q573 WeakPolarHBondContact O-CB 3.36Å; D569-Q573 VanDerWaalsContact O-CG 3.26Å; D569-Q573 WeakPolarHBondContact O-CG 3.37Å; D569-Q573 PolarHBondContact O-N 2.93Å
570	K	81	Confident	81.9	Confident	130 Å²	130	69.1 Å²	69.1	57%	0.565	36%	0.357	S	S	*	.	H	α-helix	trans	-66.8	-33.6	179.8	-69.3	-174.2	176.7	-176.3	0	113.2	R574	K570-R574 WeakPolarHBondContact O-CB 3.36Å; K570-R574 PolarHBondContact O-N 3.1Å
571	A	84.6	Confident	82.1	Confident	56 Å²	56	64.7 Å²	64.7	46%	0.463	34%	0.338	S	S	.	.	H	α-helix	trans	-70.2	-44	179.4	0	0	0	0	0	110.7	D569 R574 N575	D569-A571 PolarHBondContact O-N 3.25Å; D569-A571 PolarHBondContact OD1-N 2.67Å; D569-A571 WeakPolarHBondContact OD2-CA 3.3Å; D569-A571 VanDerWaalsContact OD2-CB 3.31Å; D569-A571 WeakPolarHBondContact OD2-CB 3.5Å; D569-A571 PolarHBondContact OD2-N 3.31Å; D569-A571 VanDerWaalsContact OD2-N 3.11Å; A571-R574 WeakPolarHBondContact O-CB 3.36Å; A571-R574 PolarHBondContact O-N 2.88Å; A571-N575 VanDerWaalsContact O-CG 3.27Å; A571-N575 PolarHBondContact O-N 3.12Å; A571-N575 PolarHBondContact O-ND2 3.47Å
572	E	86.2	Confident	82.1	Confident	64 Å²	64	67.4 Å²	67.4	30%	0.299	36%	0.361	S	S	.	.	H	α-helix	trans	-67.1	-37.2	172.7	179.8	53.7	-163.3	0	0	112.6	A567 D569 R574 N575 Q576	A567-E572 HydrophobicContact CB-CB 4.08Å; A567-E572 HydrophobicContact CB-CG 3.72Å; D569-E572 PolarHBondContact OD2-N 3.21Å; E572-R574 VanDerWaalsContact C-N 3.31Å; E572-R574 PolarHBondContact O-N 2.92Å; E572-N575 WeakPolarHBondContact O-CB 3.16Å; E572-N575 PolarHBondContact O-N 2.88Å; E572-N575 VanDerWaalsContact O-N 3.13Å; E572-N575 PolarHBondContact OE2-ND2 2.9Å; E572-Q576 HydrophobicContact CG-CG 4.48Å; E572-Q576 WeakPolarHBondContact O-CG 3Å; E572-Q576 PolarHBondContact O-N 3.32Å; E572-Q576 WeakPolarHBondContact OE1-CG 3.42Å; E572-Q576 PolarHBondContact OE1-NE2 3.35Å
573	Q	88.3	Confident	82.1	Confident	19 Å²	19	65.6 Å²	65.6	9%	0.089	36%	0.36	C	S	.	.	H	α-helix	trans	-57.1	-43.7	171.1	-76	179.8	-2.1	0	0	112.2	T552 I555 A567 D569 N575 Q576 C577	T552-Q573 PolarHBondContact OG1-NE2 3.09Å; I555-Q573 HydrophobicContact CD1-CB 3.73Å; I555-Q573 HydrophobicContact CD1-CG 3.77Å; A567-Q573 HydrophobicContact CB-CG 4.4Å; A567-Q573 WeakPolarHBondContact O-CG 3.04Å; A567-Q573 PolarHBondContact O-NE2 3.3Å; D569-Q573 WeakPolarHBondContact O-CB 3.36Å; D569-Q573 VanDerWaalsContact O-CG 3.26Å; D569-Q573 WeakPolarHBondContact O-CG 3.37Å; D569-Q573 PolarHBondContact O-N 2.93Å; Q573-N575 VanDerWaalsContact C-N 3.33Å; Q573-N575 PolarHBondContact O-N 2.8Å; Q573-Q576 PolarHBondContact O-N 3.35Å; Q573-C577 PolarHBondContact O-N 2.69Å; Q573-C577 PolarHBondContact O-SG 3.44Å
574	R	90.2	Very high	82.1	Confident	106 Å²	106	63.9 Å²	63.9	40%	0.4	34%	0.337	S	S	.	.	H	α-helix	trans	-62.3	-39.1	175	-173.9	173.8	-178.6	-98.2	7	111.9	Y551 K570 A571 E572 C577 L578	Y551-R574 HydrophobicContact CD2-CB 4.23Å; Y551-R574 HydrophobicContact CE1-CG 4.34Å; Y551-R574 HydrophobicContact CE2-CB 3.84Å; Y551-R574 HydrophobicContact CE2-CG 4.1Å; Y551-R574 WeakPolarHBondContact OH-CD 3.32Å; K570-R574 WeakPolarHBondContact O-CB 3.36Å; K570-R574 PolarHBondContact O-N 3.1Å; A571-R574 WeakPolarHBondContact O-CB 3.36Å; A571-R574 PolarHBondContact O-N 2.88Å; E572-R574 VanDerWaalsContact C-N 3.31Å; E572-R574 PolarHBondContact O-N 2.92Å; R574-C577 PolarHBondContact O-N 3.41Å; R574-L578 PolarHBondContact O-N 2.78Å
575	N	88.9	Confident	82.3	Confident	69 Å²	69	63.1 Å²	63.1	37%	0.369	33%	0.331	S	S	.	.	H	α-helix	trans	-65.8	-38.9	173.9	-64.2	-23.9	0	0	0	112.6	A571 E572 Q573 L578 R579	A571-N575 VanDerWaalsContact O-CG 3.27Å; A571-N575 PolarHBondContact O-N 3.12Å; A571-N575 PolarHBondContact O-ND2 3.47Å; E572-N575 WeakPolarHBondContact O-CB 3.16Å; E572-N575 PolarHBondContact O-N 2.88Å; E572-N575 VanDerWaalsContact O-N 3.13Å; E572-N575 PolarHBondContact OE2-ND2 2.9Å; Q573-N575 VanDerWaalsContact C-N 3.33Å; Q573-N575 PolarHBondContact O-N 2.8Å; N575-L578 WeakPolarHBondContact O-CB 3.44Å; N575-L578 PolarHBondContact O-N 3.31Å; N575-R579 VanDerWaalsContact O-CG 3.29Å; N575-R579 WeakPolarHBondContact O-CG 3.25Å; N575-R579 PolarHBondContact O-N 2.76Å
576	Q	89	Confident	82.5	Confident	14 Å²	14	62.6 Å²	62.6	7%	0.065	33%	0.329	C	S	.	.	H	α-helix	trans	-65.1	-43	174.8	-69.7	-175.4	10.6	0	0	111.4	I555 K565 E572 Q573 L578 R579 I580	I555-Q576 HydrophobicContact CD1-CB 4.01Å; I555-Q576 HydrophobicContact CG1-CB 4.22Å; K565-Q576 PolarHBondContact O-NE2 3.39Å; K565-Q576 VanDerWaalsContact O-NE2 3.1Å; K565-Q576 PolarHBondContact O-OE1 3.13Å; E572-Q576 HydrophobicContact CG-CG 4.48Å; E572-Q576 WeakPolarHBondContact O-CG 3Å; E572-Q576 PolarHBondContact O-N 3.32Å; E572-Q576 WeakPolarHBondContact OE1-CG 3.42Å; E572-Q576 PolarHBondContact OE1-NE2 3.35Å; Q573-Q576 PolarHBondContact O-N 3.35Å; Q576-L578 PolarHBondContact O-N 3.33Å; Q576-R579 PolarHBondContact O-N 2.83Å; Q576-I580 WeakPolarHBondContact O-CD1 3.19Å; Q576-I580 VanDerWaalsContact O-CG1 3.3Å; Q576-I580 WeakPolarHBondContact O-CG1 3.29Å; Q576-I580 PolarHBondContact O-N 2.62Å
577	C	90.2	Very high	82.5	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-58.6	-47.1	173	-63	0	0	0	0	111.4	Y551 F554 Q573 R574 R579 I580 L581 L594 V599	Y551-C577 HydrophobicContact CD1-CB 4.28Å; F554-C577 HydrophobicContact CD1-CB 4.04Å; F554-C577 HydrophobicContact CE1-CB 4.29Å; Q573-C577 PolarHBondContact O-N 2.69Å; Q573-C577 PolarHBondContact O-SG 3.44Å; R574-C577 PolarHBondContact O-N 3.41Å; C577-R579 VanDerWaalsContact C-N 3.35Å; C577-R579 PolarHBondContact O-N 3.09Å; C577-I580 PolarHBondContact O-N 3.17Å; C577-L581 WeakPolarHBondContact O-CB 3.29Å; C577-L581 WeakPolarHBondContact O-CD1 3.14Å; C577-L581 VanDerWaalsContact O-CG 3.3Å; C577-L581 WeakPolarHBondContact O-CG 3.45Å; C577-L581 PolarHBondContact O-N 2.79Å; C577-L594 HydrophobicContact CB-CD2 4.26Å; C577-V599 HydrophobicContact CB-CG2 4.01Å
578	L	88.8	Confident	82.6	Confident	67 Å²	67	70.3 Å²	70.3	35%	0.351	36%	0.355	S	S	.	.	H	α-helix	trans	-54.8	-46.2	173.2	-84.7	168.6	0	0	0	112.6	R574 N575 Q576 L581 A582 L594	R574-L578 PolarHBondContact O-N 2.78Å; N575-L578 WeakPolarHBondContact O-CB 3.44Å; N575-L578 PolarHBondContact O-N 3.31Å; Q576-L578 PolarHBondContact O-N 3.33Å; L578-L581 PolarHBondContact O-N 2.8Å; L578-A582 WeakPolarHBondContact O-CB 3.36Å; L578-A582 PolarHBondContact O-N 2.59Å; L578-L594 HydrophobicContact CD1-CD1 4.23Å; L578-L594 HydrophobicContact CD2-CD1 3.35Å; L578-L594 HydrophobicContact CG-CD1 3.41Å; L578-L594 VanDerWaalsContact CG-CD1 3.41Å
579	R	87	Confident	82.7	Confident	137 Å²	137	66 Å²	66	52%	0.517	34%	0.339	S	S	.	.	H	α-helix	trans	-65.3	-40.7	-178.8	-74.5	168.8	60.7	-172.2	-1.1	112.5	N575 Q576 C577 A583	N575-R579 VanDerWaalsContact O-CG 3.29Å; N575-R579 WeakPolarHBondContact O-CG 3.25Å; N575-R579 PolarHBondContact O-N 2.76Å; Q576-R579 PolarHBondContact O-N 2.83Å; C577-R579 VanDerWaalsContact C-N 3.35Å; C577-R579 PolarHBondContact O-N 3.09Å; R579-A583 WeakPolarHBondContact O-CB 3.22Å; R579-A583 PolarHBondContact O-N 3.16Å; R579-A583 VanDerWaalsContact O-N 3.12Å
580	I	88	Confident	82.6	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-64.4	-50.2	175.5	-64	157.8	0	0	0	109.8	F554 Q562 Q576 C577 A583 V584	F554-I580 HydrophobicContact CD1-CD1 4.36Å; F554-I580 HydrophobicContact CE1-CB 4.01Å; F554-I580 HydrophobicContact CE1-CD1 4.03Å; F554-I580 HydrophobicContact CE1-CG2 3.85Å; F554-I580 HydrophobicContact CZ-CG2 4.17Å; Q562-I580 HydrophobicContact CB-CG1 4.24Å; Q562-I580 HydrophobicContact CG-CG1 4.15Å; Q576-I580 WeakPolarHBondContact O-CD1 3.19Å; Q576-I580 VanDerWaalsContact O-CG1 3.3Å; Q576-I580 WeakPolarHBondContact O-CG1 3.29Å; Q576-I580 PolarHBondContact O-N 2.62Å; C577-I580 PolarHBondContact O-N 3.17Å; I580-A583 PolarHBondContact O-N 3.36Å; I580-V584 WeakPolarHBondContact O-CG2 3.25Å; I580-V584 PolarHBondContact O-N 3.12Å; I580-V584 VanDerWaalsContact O-N 3.16Å
581	L	88.1	Confident	82.9	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-63.1	-45.8	-179.3	-70.8	163.5	0	0	0	112.1	F554 C577 L578 A583 V584 M585 F592 L594 V599 V605 L609	F554-L581 HydrophobicContact CE1-CG 4.31Å; F554-L581 HydrophobicContact CE2-CD2 4.15Å; F554-L581 HydrophobicContact CE2-CG 4.48Å; F554-L581 HydrophobicContact CZ-CD1 4.21Å; F554-L581 HydrophobicContact CZ-CD2 3.72Å; F554-L581 HydrophobicContact CZ-CG 3.74Å; C577-L581 WeakPolarHBondContact O-CB 3.29Å; C577-L581 WeakPolarHBondContact O-CD1 3.14Å; C577-L581 VanDerWaalsContact O-CG 3.3Å; C577-L581 WeakPolarHBondContact O-CG 3.45Å; C577-L581 PolarHBondContact O-N 2.79Å; L578-L581 PolarHBondContact O-N 2.8Å; L581-A583 VanDerWaalsContact C-N 3.32Å; L581-A583 PolarHBondContact O-N 3.05Å; L581-V584 PolarHBondContact O-N 3.24Å; L581-M585 WeakPolarHBondContact O-CA 3.48Å; L581-M585 VanDerWaalsContact O-CB 3.3Å; L581-M585 WeakPolarHBondContact O-CB 3.26Å; L581-M585 PolarHBondContact O-N 2.82Å; L581-F592 HydrophobicContact CB-CE1 4.17Å; L581-F592 HydrophobicContact CB-CE2 4.17Å; L581-F592 HydrophobicContact CB-CZ 3.86Å; L581-F592 HydrophobicContact CD1-CD2 3.8Å; L581-F592 HydrophobicContact CD1-CE2 3.81Å; L581-F592 HydrophobicContact CD1-CG 4.33Å; L581-F592 HydrophobicContact CD1-CZ 4.35Å; L581-F592 HydrophobicContact CD2-CD1 4.39Å; L581-F592 HydrophobicContact CD2-CG 4.42Å; L581-L594 HydrophobicContact CD1-CD2 4.16Å; L581-V599 HydrophobicContact CD1-CG1 3.88Å; L581-V605 HydrophobicContact CD2-CG1 4.3Å; L581-L609 HydrophobicContact CD2-CD1 4.2Å
582	A	84.7	Confident	83.1	Confident	61 Å²	61	63.9 Å²	63.9	50%	0.504	32%	0.318	S	S	.	.	H	α-helix	trans	-68.1	-28.6	179.3	0	0	0	0	0	113.5	L578	L578-A582 WeakPolarHBondContact O-CB 3.36Å; L578-A582 PolarHBondContact O-N 2.59Å
583	A	80.6	Confident	83.3	Confident	46 Å²	46	65 Å²	65	38%	0.38	32%	0.32	S	S	.	.	H	α-helix	trans	-77.8	-29.8	177.4	0	0	0	0	0	113.3	Q562 R579 I580 L581	Q562-A583 HydrophobicContact CG-CB 4.34Å; Q562-A583 VanDerWaalsContact NE2-CB 3.26Å; R579-A583 WeakPolarHBondContact O-CB 3.22Å; R579-A583 PolarHBondContact O-N 3.16Å; R579-A583 VanDerWaalsContact O-N 3.12Å; I580-A583 PolarHBondContact O-N 3.36Å; L581-A583 VanDerWaalsContact C-N 3.32Å; L581-A583 PolarHBondContact O-N 3.05Å
584	V	74.7	Confident	83.5	Confident	28 Å²	28	65.4 Å²	65.4	17%	0.17	32%	0.322	C	S	.	.	H	α-helix	trans	-97.4	-44.6	-178.7	-178.2	0	0	0	0	111.9	L561 I580 L581 L609 T612	L561-V584 HydrophobicContact CD1-CG2 4.26Å; I580-V584 WeakPolarHBondContact O-CG2 3.25Å; I580-V584 PolarHBondContact O-N 3.12Å; I580-V584 VanDerWaalsContact O-N 3.16Å; L581-V584 PolarHBondContact O-N 3.24Å; V584-L609 HydrophobicContact CB-CD2 4.4Å; V584-L609 HydrophobicContact CG1-CD2 4.22Å; V584-T612 HydrophobicContact CG1-CG2 4.5Å
585	M	75.1	Confident	83.5	Confident	7 Å²	7	60.8 Å²	60.8	3%	0.034	31%	0.307	C	S	.	.			trans	-105.6	46.6	-166.1	-54.7	-57.5	-52.8	0	0	113.7	L581 E587 H588 F592 V605 H608	L581-M585 WeakPolarHBondContact O-CA 3.48Å; L581-M585 VanDerWaalsContact O-CB 3.3Å; L581-M585 WeakPolarHBondContact O-CB 3.26Å; L581-M585 PolarHBondContact O-N 2.82Å; M585-E587 PolarHBondContact O-N 3.43Å; M585-E587 VanDerWaalsContact O-N 3.11Å; M585-H588 HydrophobicContact CE-CB 3.85Å; M585-H588 PolarHBondContact O-N 2.96Å; M585-F592 HydrophobicContact CB-CE1 4.48Å; M585-V605 HydrophobicContact CE-CB 4.43Å; M585-V605 HydrophobicContact CE-CG1 4.29Å; M585-V605 HydrophobicContact CE-CG2 4.29Å; M585-V605 HydrophobicContact CG-CG1 4.09Å; M585-V605 HydrophobicContact SD-CG1 4.37Å; M585-H608 HydrophobicContact CE-CB 3.75Å; M585-H608 HydrophobicContact SD-CB 3.65Å; M585-H608 VanDerWaalsContact SD-CD2 3.58Å
586	K	70.6	Confident	83.6	Confident	175 Å²	175	62 Å²	62	76%	0.761	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-32.3	-177.7	-70.8	-172.8	178.2	-177.8	0	114.2
587	E	68.4	Low	83.7	Confident	175 Å²	175	63.4 Å²	63.4	82%	0.818	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-7.2	-172.5	-62.9	178.6	176.8	0	0	114	M585	M585-E587 PolarHBondContact O-N 3.43Å; M585-E587 VanDerWaalsContact O-N 3.11Å
588	H	72.8	Confident	83.9	Confident	61 Å²	61	66 Å²	66	28%	0.282	33%	0.33	S	S	.	.			trans	-128.9	34.7	-169.8	-60.9	-1.6	0	0	0	112.6	M585 Q590 E591	M585-H588 HydrophobicContact CE-CB 3.85Å; M585-H588 PolarHBondContact O-N 2.96Å; H588-Q590 PolarHBondContact O-N 3.21Å; H588-Q590 VanDerWaalsContact O-N 3.07Å; H588-E591 HydrophobicContact CB-CB 4.36Å; H588-E591 HydrophobicContact CB-CG 4.27Å; H588-E591 PolarHBondContact O-N 3.41Å
589	S	75.2	Confident	84.1	Confident	80 Å²	80	62.8 Å²	62.8	56%	0.559	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-20.7	-178.1	58.7	0	0	0	0	114.8
590	Q	81.7	Confident	84.3	Confident	145 Å²	145	56.2 Å²	56.2	68%	0.678	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-13	175.9	-61.2	-167.9	13.4	0	0	114	H588 R593	H588-Q590 PolarHBondContact O-N 3.21Å; H588-Q590 VanDerWaalsContact O-N 3.07Å; Q590-R593 PolarHBondContact O-NH1 2.93Å
591	E	87	Confident	84.5	Confident	62 Å²	62	56.3 Å²	56.3	29%	0.29	29%	0.289	S	S	.	.	S	Bend	trans	-95.1	5.6	-172.8	-57.2	-59.2	161.7	0	0	114.1	H588 K602 V605	H588-E591 HydrophobicContact CB-CB 4.36Å; H588-E591 HydrophobicContact CB-CG 4.27Å; H588-E591 PolarHBondContact O-N 3.41Å; E591-K602 PolarHBondContact O-N 3.22Å; E591-K602 IonicContact OE1-NZ 3.39Å; E591-K602 WeakPolarHBondContact OE2-CD 3.41Å; E591-K602 WeakPolarHBondContact OE2-CE 3.46Å; E591-K602 IonicContact OE2-NZ 3.54Å; E591-K602 PolarHBondContact OE2-NZ 3.02Å; E591-V605 HydrophobicContact CB-CG2 3.51Å; E591-V605 WeakPolarHBondContact O-CG2 3.47Å
592	F	90.1	Very high	84.5	Confident	26 Å²	26	58 Å²	58	11%	0.114	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	160.1	169.2	70.8	-96.2	0	0	0	112.4	L581 M585 F600 M601	L581-F592 HydrophobicContact CB-CE1 4.17Å; L581-F592 HydrophobicContact CB-CE2 4.17Å; L581-F592 HydrophobicContact CB-CZ 3.86Å; L581-F592 HydrophobicContact CD1-CD2 3.8Å; L581-F592 HydrophobicContact CD1-CE2 3.81Å; L581-F592 HydrophobicContact CD1-CG 4.33Å; L581-F592 HydrophobicContact CD1-CZ 4.35Å; L581-F592 HydrophobicContact CD2-CD1 4.39Å; L581-F592 HydrophobicContact CD2-CG 4.42Å; M585-F592 HydrophobicContact CB-CE1 4.48Å; F592-F600 CarbonylContact C-O 3.55Å; F592-F600 WeakPolarHBondContact CA-O 3.48Å; F592-F600 WeakPolarHBondContact CB-O 3.24Å; F592-M601 HydrophobicContact CB-CG 4.06Å
593	R	90	Very high	84.4	Confident	87 Å²	87	57.6 Å²	57.6	33%	0.328	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	161.8	172	-65.8	-66.1	-178	-76.2	-7.8	110.1	I353 F545 Q590 F600	I353-R593 HydrophobicContact CD1-CB 3.99Å; I353-R593 HydrophobicContact CG2-CB 4.14Å; I353-R593 HydrophobicContact CG2-CG 4.14Å; F545-R593 HydrophobicContact CD2-CG 4.32Å; F545-R593 HydrophobicContact CE1-CG 4.1Å; F545-R593 HydrophobicContact CE2-CG 3.7Å; F545-R593 HydrophobicContact CZ-CG 3.58Å; Q590-R593 PolarHBondContact O-NH1 2.93Å; R593-F600 HydrophobicContact CB-CB 4.36Å; R593-F600 PolarHBondContact N-O 3.27Å; R593-F600 PolarHBondContact O-N 3.26Å
594	L	91.4	Very high	84.6	Confident	28 Å²	28	59 Å²	59	15%	0.147	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	118.6	177.8	-64.1	167.5	0	0	0	107.9	Y551 C577 L578 L581 V599	Y551-L594 HydrophobicContact CE1-CD2 3.8Å; C577-L594 HydrophobicContact CB-CD2 4.26Å; L578-L594 HydrophobicContact CD1-CD1 4.23Å; L578-L594 HydrophobicContact CD2-CD1 3.35Å; L578-L594 HydrophobicContact CG-CD1 3.41Å; L578-L594 VanDerWaalsContact CG-CD1 3.41Å; L581-L594 HydrophobicContact CD1-CD2 4.16Å; L594-V599 HydrophobicContact CD2-CB 4.1Å; L594-V599 HydrophobicContact CD2-CG1 3.87Å; L594-V599 HydrophobicContact CD2-CG2 3.73Å
595	G	91.9	Very high	85.2	Confident	8 Å²	8	57.7 Å²	57.7	8%	0.082	28%	0.28	C	S	.	.			trans	-88.3	-139.9	-179.7	0	0	0	0	0	112.9	E351 Y551 K598	E351-G595 CarbonylContact O-C 3.44Å; E351-G595 WeakPolarHBondContact O-CA 3.29Å; E351-G595 WeakPolarHBondContact OE2-CA 3.47Å; Y551-G595 PolarHBondContact OH-N 3.49Å; Y551-G595 PolarHBondContact OH-O 2.99Å; G595-K598 PolarHBondContact N-O 3.36Å
596	K	91.1	Very high	85.6	Confident	96 Å²	96	58.5 Å²	58.5	42%	0.417	28%	0.284	S	S	.	.	S	Bend	trans	-83.7	-37.2	174.3	-67.5	173.6	-175	158.7	0	112.2	E350 E351 E352 Y551	E350-K596 WeakPolarHBondContact O-CD 3.3Å; E350-K596 WeakPolarHBondContact O-CE 3.39Å; E350-K596 PolarHBondContact O-NZ 3.41Å; E351-K596 PolarHBondContact O-N 3.38Å; E351-K596 PolarHBondContact OE2-N 2.97Å; E352-K596 WeakPolarHBondContact OE1-CE 3.38Å; E352-K596 IonicContact OE1-NZ 2.75Å; E352-K596 PolarHBondContact OE1-NZ 3.35Å; E352-K596 WeakPolarHBondContact OE2-CE 3.48Å; E352-K596 IonicContact OE2-NZ 3.34Å; Y551-K596 WeakPolarHBondContact CE2-O 2.99Å
597	T	90.8	Very high	86.3	Confident	42 Å²	42	51.9 Å²	51.9	26%	0.258	26%	0.256	S	S	.	.	S	Bend	trans	-135.5	-13.7	-175.1	74.4	0	0	0	0	114.5	E351 T550 Y551	E351-T597 WeakPolarHBondContact OE1-CB 3.48Å; E351-T597 PolarHBondContact OE1-N 2.83Å; E351-T597 PolarHBondContact OE1-OG1 2.74Å; E351-T597 PolarHBondContact OE2-N 3.24Å; T550-T597 WeakPolarHBondContact CA-O 3.39Å; Y551-T597 WeakPolarHBondContact CD2-O 3.34Å; Y551-T597 PolarHBondContact N-O 3.26Å
598	K	93.5	Very high	87.2	Confident	54 Å²	54	47.3 Å²	47.3	24%	0.235	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	149.7	-173.5	-53.2	-177.7	-168.4	179.4	0	113.9	E347 E351 L549 T550 Y551 G595 F600	E347-K598 WeakPolarHBondContact OE1-CD 3.42Å; E347-K598 IonicContact OE1-NZ 3.55Å; E347-K598 PolarHBondContact OE1-NZ 3.23Å; E351-K598 PolarHBondContact OE2-N 3.35Å; L549-K598 CarbonylContact O-C 3.52Å; L549-K598 VanDerWaalsContact O-CA 3.24Å; L549-K598 WeakPolarHBondContact O-CA 3.19Å; L549-K598 WeakPolarHBondContact O-CB 3.32Å; T550-K598 HydrophobicContact CG2-CG 4.33Å; Y551-K598 WeakPolarHBondContact CE1-O 3.26Å; G595-K598 PolarHBondContact N-O 3.36Å; K598-F600 HydrophobicContact CB-CD2 4.15Å; K598-F600 HydrophobicContact CB-CE2 3.7Å; K598-F600 HydrophobicContact CB-CZ 4.29Å; K598-F600 HydrophobicContact CD-CZ 4.42Å
599	V	92.7	Very high	87.9	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	126.3	162.2	-169.2	0	0	0	0	108.2	R548 L549 Y551 F554 C577 L581 L594 M601	R548-V599 VanDerWaalsContact CA-O 3.28Å; R548-V599 WeakPolarHBondContact CA-O 3.4Å; L549-V599 PolarHBondContact N-O 3.42Å; L549-V599 VanDerWaalsContact N-O 3.09Å; L549-V599 PolarHBondContact O-N 2.72Å; Y551-V599 HydrophobicContact CD1-CG2 3.63Å; Y551-V599 HydrophobicContact CE1-CG2 3.88Å; F554-V599 HydrophobicContact CB-CG2 3.88Å; F554-V599 HydrophobicContact CD1-CG2 4.27Å; F554-V599 HydrophobicContact CD2-CB 3.95Å; F554-V599 HydrophobicContact CD2-CG1 4.02Å; F554-V599 HydrophobicContact CD2-CG2 3.76Å; F554-V599 HydrophobicContact CE2-CB 4.48Å; F554-V599 HydrophobicContact CE2-CG1 4.05Å; F554-V599 HydrophobicContact CE2-CG2 4.42Å; F554-V599 HydrophobicContact CG-CB 4.38Å; F554-V599 HydrophobicContact CG-CG2 3.69Å; C577-V599 HydrophobicContact CB-CG2 4.01Å; L581-V599 HydrophobicContact CD1-CG1 3.88Å; L594-V599 HydrophobicContact CD2-CB 4.1Å; L594-V599 HydrophobicContact CD2-CG1 3.87Å; L594-V599 HydrophobicContact CD2-CG2 3.73Å; V599-M601 HydrophobicContact CG1-CE 4.45Å; V599-M601 HydrophobicContact CG1-CG 3.9Å; V599-M601 HydrophobicContact CG1-SD 4.11Å
600	F	92.5	Very high	88.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.1	176	-74.9	-93.9	0	0	0	109.5	E347 Y348 E351 I353 F545 R548 F592 R593 K598	E347-F600 HydrophobicContact CG-CZ 4.23Å; Y348-F600 HydrophobicContact CD1-CD1 4.09Å; Y348-F600 AromaticContact CD1-CE1 3.73Å; Y348-F600 HydrophobicContact CD1-CE1 3.73Å; Y348-F600 HydrophobicContact CD1-CZ 4.43Å; Y348-F600 AromaticContact CE1-CD1 3.81Å; Y348-F600 HydrophobicContact CE1-CD1 3.81Å; Y348-F600 AromaticContact CE1-CE1 3.72Å; Y348-F600 HydrophobicContact CE1-CE1 3.72Å; E351-F600 HydrophobicContact CB-CE2 3.74Å; E351-F600 HydrophobicContact CB-CZ 4.05Å; E351-F600 HydrophobicContact CG-CE2 3.79Å; E351-F600 HydrophobicContact CG-CZ 3.94Å; I353-F600 HydrophobicContact CD1-CD2 3.48Å; I353-F600 VanDerWaalsContact CD1-CD2 3.48Å; I353-F600 HydrophobicContact CD1-CE2 3.82Å; I353-F600 HydrophobicContact CD1-CG 4.16Å; I353-F600 HydrophobicContact CG1-CD2 3.82Å; I353-F600 HydrophobicContact CG1-CE2 3.83Å; I353-F600 HydrophobicContact CG1-CG 4.27Å; I353-F600 HydrophobicContact CG1-CZ 4.3Å; F545-F600 HydrophobicContact CB-CB 3.76Å; F545-F600 HydrophobicContact CB-CD1 4.34Å; F545-F600 HydrophobicContact CG-CB 4.24Å; R548-F600 HydrophobicContact CB-CD1 3.9Å; R548-F600 HydrophobicContact CB-CE1 3.93Å; R548-F600 HydrophobicContact CB-CG 4.45Å; R548-F600 HydrophobicContact CG-CE1 4.47Å; F592-F600 CarbonylContact C-O 3.55Å; F592-F600 WeakPolarHBondContact CA-O 3.48Å; F592-F600 WeakPolarHBondContact CB-O 3.24Å; R593-F600 HydrophobicContact CB-CB 4.36Å; R593-F600 PolarHBondContact N-O 3.27Å; R593-F600 PolarHBondContact O-N 3.26Å; K598-F600 HydrophobicContact CB-CD2 4.15Å; K598-F600 HydrophobicContact CB-CE2 3.7Å; K598-F600 HydrophobicContact CB-CZ 4.29Å; K598-F600 HydrophobicContact CD-CZ 4.42Å
601	M	90.9	Very high	88.6	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	150.5	-171.1	-64.6	179.7	-70.9	0	0	111.8	F545 H547 L549 F554 F592 V599 V605 L609	F545-M601 CarbonylContact C-O 3.57Å; H547-M601 HydrophobicContact CB-CB 4.39Å; H547-M601 PolarHBondContact N-O 2.9Å; H547-M601 VanDerWaalsContact N-O 3.11Å; H547-M601 PolarHBondContact O-N 2.91Å; L549-M601 HydrophobicContact CD1-CE 4.2Å; F554-M601 HydrophobicContact CD2-CE 4.13Å; F554-M601 HydrophobicContact CD2-SD 4.45Å; F554-M601 HydrophobicContact CE2-CE 4.02Å; F554-M601 HydrophobicContact CE2-SD 3.8Å; F592-M601 HydrophobicContact CB-CG 4.06Å; V599-M601 HydrophobicContact CG1-CE 4.45Å; V599-M601 HydrophobicContact CG1-CG 3.9Å; V599-M601 HydrophobicContact CG1-SD 4.11Å; M601-V605 HydrophobicContact CB-CB 4.25Å; M601-V605 HydrophobicContact CB-CG1 4.4Å; M601-V605 HydrophobicContact CG-CB 4.48Å; M601-V605 HydrophobicContact CG-CG1 4.09Å; M601-V605 HydrophobicContact SD-CG1 3.89Å; M601-L609 HydrophobicContact SD-CD1 3.67Å
602	K	88.4	Confident	88.6	Confident	35 Å²	35	39.8 Å²	39.8	15%	0.152	19%	0.189	C	C	.	.			trans	-87.2	161.3	160.8	-57.8	-156.1	-157.5	149.4	0	111.7	K542 G544 F545 E591 V604 V605 L606	K542-K602 WeakPolarHBondContact O-CE 3.49Å; K542-K602 PolarHBondContact O-NZ 2.94Å; G544-K602 WeakPolarHBondContact O-CD 3.21Å; G544-K602 WeakPolarHBondContact O-CE 3.2Å; G544-K602 WeakPolarHBondContact O-CG 3.43Å; F545-K602 HydrophobicContact CD1-CG 3.8Å; F545-K602 HydrophobicContact CE1-CG 4.18Å; E591-K602 PolarHBondContact O-N 3.22Å; E591-K602 IonicContact OE1-NZ 3.39Å; E591-K602 WeakPolarHBondContact OE2-CD 3.41Å; E591-K602 WeakPolarHBondContact OE2-CE 3.46Å; E591-K602 IonicContact OE2-NZ 3.54Å; E591-K602 PolarHBondContact OE2-NZ 3.02Å; K602-V604 VanDerWaalsContact C-N 3.28Å; K602-V604 PolarHBondContact O-N 3.36Å; K602-V605 WeakPolarHBondContact O-CB 3.45Å; K602-V605 PolarHBondContact O-N 3.4Å; K602-L606 PolarHBondContact O-N 3.12Å
603	E	82.6	Confident	88.4	Confident	53 Å²	53	39.3 Å²	39.3	25%	0.248	19%	0.188	C	C	.	.	H	α-helix	trans	-53	-42.4	-174.4	-159	153.8	-123.3	0	0	112.5	R29 H547 V605 L606 E607	R29-E603 IonicContact CZ-OE1 3.88Å; R29-E603 IonicContact NH1-OE1 2.99Å; R29-E603 IonicContact NH2-OE1 3.65Å; R29-E603 PolarHBondContact NH2-OE1 3.07Å; H547-E603 IonicContact CE1-OE1 2.97Å; H547-E603 WeakPolarHBondContact NE2-CA 3.3Å; H547-E603 IonicContact NE2-OE1 3.44Å; E603-V605 VanDerWaalsContact C-N 3.27Å; E603-V605 PolarHBondContact O-N 3.44Å; E603-L606 WeakPolarHBondContact O-CB 3.5Å; E603-L606 PolarHBondContact O-N 2.86Å; E603-L606 VanDerWaalsContact O-N 3.09Å; E603-E607 WeakPolarHBondContact O-CB 3.47Å; E603-E607 WeakPolarHBondContact O-CG 3.47Å; E603-E607 PolarHBondContact O-N 2.96Å
604	V	84.8	Confident	88.1	Confident	77 Å²	77	41.2 Å²	41.2	47%	0.467	20%	0.201	S	C	.	.	H	α-helix	trans	-57.2	-35.3	176.6	-172.7	0	0	0	0	113.3	K602 H608	K602-V604 VanDerWaalsContact C-N 3.28Å; K602-V604 PolarHBondContact O-N 3.36Å; V604-H608 WeakPolarHBondContact O-CB 3.48Å; V604-H608 PolarHBondContact O-N 2.9Å; V604-H608 VanDerWaalsContact O-N 3.09Å
605	V	86.9	Confident	87.9	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-74.8	-42.5	177.5	-178.8	0	0	0	0	110.5	L581 M585 E591 M601 K602 E603 H608 L609	L581-V605 HydrophobicContact CD2-CG1 4.3Å; M585-V605 HydrophobicContact CE-CB 4.43Å; M585-V605 HydrophobicContact CE-CG1 4.29Å; M585-V605 HydrophobicContact CE-CG2 4.29Å; M585-V605 HydrophobicContact CG-CG1 4.09Å; M585-V605 HydrophobicContact SD-CG1 4.37Å; E591-V605 HydrophobicContact CB-CG2 3.51Å; E591-V605 WeakPolarHBondContact O-CG2 3.47Å; M601-V605 HydrophobicContact CB-CB 4.25Å; M601-V605 HydrophobicContact CB-CG1 4.4Å; M601-V605 HydrophobicContact CG-CB 4.48Å; M601-V605 HydrophobicContact CG-CG1 4.09Å; M601-V605 HydrophobicContact SD-CG1 3.89Å; K602-V605 WeakPolarHBondContact O-CB 3.45Å; K602-V605 PolarHBondContact O-N 3.4Å; E603-V605 VanDerWaalsContact C-N 3.27Å; E603-V605 PolarHBondContact O-N 3.44Å; V605-H608 PolarHBondContact O-N 3.3Å; V605-L609 HydrophobicContact CG1-CD1 4.16Å; V605-L609 WeakPolarHBondContact O-CB 3.34Å; V605-L609 WeakPolarHBondContact O-CG 3.43Å; V605-L609 PolarHBondContact O-N 3.28Å
606	L	85	Confident	87.6	Confident	24 Å²	24	52.4 Å²	52.4	13%	0.126	24%	0.242	C	C	.	.	H	α-helix	trans	-61.7	-49.2	175.9	178.9	61.8	0	0	0	110.9	H547 Y558 K602 E603 H608 L609 D610	H547-L606 HydrophobicContact CB-CD2 4.18Å; H547-L606 VanDerWaalsContact ND1-CD2 3.3Å; H547-L606 WeakPolarHBondContact ND1-CD2 3.12Å; Y558-L606 WeakPolarHBondContact OH-CD1 3.45Å; K602-L606 PolarHBondContact O-N 3.12Å; E603-L606 WeakPolarHBondContact O-CB 3.5Å; E603-L606 PolarHBondContact O-N 2.86Å; E603-L606 VanDerWaalsContact O-N 3.09Å; L606-H608 VanDerWaalsContact C-N 3.34Å; L606-H608 PolarHBondContact O-N 3.46Å; L606-L609 PolarHBondContact O-N 3.42Å; L606-D610 WeakPolarHBondContact CD1-OD2 3.09Å; L606-D610 WeakPolarHBondContact O-CB 3.05Å; L606-D610 PolarHBondContact O-N 2.97Å
607	E	84.2	Confident	87.4	Confident	36 Å²	36	51.3 Å²	51.3	17%	0.168	24%	0.241	C	C	.	.	H	α-helix	trans	-55.5	-45.6	174.4	-79.4	-164	-107.4	0	0	112.3	E603 D610 R611 Y1156	E603-E607 WeakPolarHBondContact O-CB 3.47Å; E603-E607 WeakPolarHBondContact O-CG 3.47Å; E603-E607 PolarHBondContact O-N 2.96Å; E607-D610 PolarHBondContact O-N 2.89Å; E607-R611 WeakPolarHBondContact O-CB 3.46Å; E607-R611 VanDerWaalsContact O-CD 3.32Å; E607-R611 WeakPolarHBondContact O-CD 3.44Å; E607-R611 WeakPolarHBondContact O-CG 3.23Å; E607-R611 PolarHBondContact O-N 3.21Å; E607-R611 IonicContact OE2-CZ 3.71Å; E607-R611 VanDerWaalsContact OE2-CZ 3.29Å; E607-R611 IonicContact OE2-NE 3.18Å; E607-R611 PolarHBondContact OE2-NE 2.88Å; E607-R611 IonicContact OE2-NH2 2.65Å; E607-R611 PolarHBondContact OE2-NH2 3.38Å; E607-Y1156 HydrophobicContact CG-CD1 3.92Å; E607-Y1156 HydrophobicContact CG-CD2 4.36Å; E607-Y1156 HydrophobicContact CG-CE1 3.74Å; E607-Y1156 HydrophobicContact CG-CE2 4.19Å; E607-Y1156 HydrophobicContact CG-CG 4.22Å; E607-Y1156 VanDerWaalsContact OE2-CB 3.24Å; E607-Y1156 WeakPolarHBondContact OE2-CB 3.46Å; E607-Y1156 VanDerWaalsContact OE2-CD1 3.28Å; E607-Y1156 WeakPolarHBondContact OE2-CD1 3.47Å
608	H	86.8	Confident	87.2	Confident	79 Å²	79	50.6 Å²	50.6	37%	0.366	24%	0.242	S	C	.	.	H	α-helix	trans	-67.6	-40.2	-179.4	-165.9	115.6	0	0	0	111.7	M585 V604 V605 L606 T612	M585-H608 HydrophobicContact CE-CB 3.75Å; M585-H608 HydrophobicContact SD-CB 3.65Å; M585-H608 VanDerWaalsContact SD-CD2 3.58Å; V604-H608 WeakPolarHBondContact O-CB 3.48Å; V604-H608 PolarHBondContact O-N 2.9Å; V604-H608 VanDerWaalsContact O-N 3.09Å; V605-H608 PolarHBondContact O-N 3.3Å; L606-H608 VanDerWaalsContact C-N 3.34Å; L606-H608 PolarHBondContact O-N 3.46Å; H608-T612 VanDerWaalsContact O-CB 3.28Å; H608-T612 WeakPolarHBondContact O-CB 3.45Å; H608-T612 PolarHBondContact O-N 2.9Å; H608-T612 PolarHBondContact O-OG1 3.18Å
609	L	88.1	Confident	86.8	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.7	-50.1	172.6	-74.4	167.7	0	0	0	111	F554 Y558 L561 L581 V584 M601 V605 L606 T612 V613	F554-L609 HydrophobicContact CE2-CD1 3.83Å; F554-L609 HydrophobicContact CZ-CD1 4.03Å; Y558-L609 HydrophobicContact CD1-CB 4.15Å; Y558-L609 HydrophobicContact CD1-CD2 4.5Å; Y558-L609 HydrophobicContact CD2-CD1 4.4Å; Y558-L609 HydrophobicContact CE1-CB 3.76Å; Y558-L609 HydrophobicContact CE2-CD1 4.11Å; L561-L609 HydrophobicContact CD1-CD2 4.39Å; L581-L609 HydrophobicContact CD2-CD1 4.2Å; V584-L609 HydrophobicContact CB-CD2 4.4Å; V584-L609 HydrophobicContact CG1-CD2 4.22Å; M601-L609 HydrophobicContact SD-CD1 3.67Å; V605-L609 HydrophobicContact CG1-CD1 4.16Å; V605-L609 WeakPolarHBondContact O-CB 3.34Å; V605-L609 WeakPolarHBondContact O-CG 3.43Å; V605-L609 PolarHBondContact O-N 3.28Å; L606-L609 PolarHBondContact O-N 3.42Å; L609-T612 CarbonylContact O-C 3.57Å; L609-T612 WeakPolarHBondContact O-CA 3.45Å; L609-T612 WeakPolarHBondContact O-CB 3.46Å; L609-T612 PolarHBondContact O-N 3.48Å; L609-T612 VanDerWaalsContact O-N 3.09Å; L609-V613 WeakPolarHBondContact O-CG2 3.16Å; L609-V613 PolarHBondContact O-N 2.75Å
610	D	85.3	Confident	86.6	Confident	44 Å²	44	54.5 Å²	54.5	24%	0.235	28%	0.279	C	S	.	.	H	α-helix	trans	-69.9	-37.8	-177.3	-80.2	-34.7	0	0	0	113	K557 L606 E607 T612 V613 E614	K557-D610 WeakPolarHBondContact CE-OD1 3.26Å; K557-D610 IonicContact NZ-OD1 2.68Å; K557-D610 PolarHBondContact NZ-OD1 2.71Å; K557-D610 IonicContact NZ-OD2 3.04Å; K557-D610 PolarHBondContact NZ-OD2 3.1Å; L606-D610 WeakPolarHBondContact CD1-OD2 3.09Å; L606-D610 WeakPolarHBondContact O-CB 3.05Å; L606-D610 PolarHBondContact O-N 2.97Å; E607-D610 PolarHBondContact O-N 2.89Å; D610-T612 PolarHBondContact O-N 3.21Å; D610-V613 WeakPolarHBondContact O-CB 3.46Å; D610-V613 PolarHBondContact O-N 2.55Å; D610-E614 VanDerWaalsContact O-CB 3.29Å; D610-E614 WeakPolarHBondContact O-CB 3.28Å; D610-E614 PolarHBondContact O-N 2.72Å
611	R	86.1	Confident	86.4	Confident	117 Å²	117	58.4 Å²	58.4	44%	0.442	30%	0.299	S	S	.	.	H	α-helix	trans	-62.3	-29.8	168.9	-68.8	164.3	-176.2	-140.8	4.9	112.1	E607 K615	E607-R611 WeakPolarHBondContact O-CB 3.46Å; E607-R611 VanDerWaalsContact O-CD 3.32Å; E607-R611 WeakPolarHBondContact O-CD 3.44Å; E607-R611 WeakPolarHBondContact O-CG 3.23Å; E607-R611 PolarHBondContact O-N 3.21Å; E607-R611 IonicContact OE2-CZ 3.71Å; E607-R611 VanDerWaalsContact OE2-CZ 3.29Å; E607-R611 IonicContact OE2-NE 3.18Å; E607-R611 PolarHBondContact OE2-NE 2.88Å; E607-R611 IonicContact OE2-NH2 2.65Å; E607-R611 PolarHBondContact OE2-NH2 3.38Å; R611-K615 WeakPolarHBondContact O-CD 3.36Å; R611-K615 VanDerWaalsContact O-CG 3.26Å; R611-K615 WeakPolarHBondContact O-CG 3.49Å; R611-K615 PolarHBondContact O-N 3.35Å; R611-K615 VanDerWaalsContact O-N 3.17Å
612	T	87.4	Confident	86.2	Confident	28 Å²	28	63.8 Å²	63.8	17%	0.172	33%	0.326	C	S	.	.	H	α-helix	trans	-78	-40.5	176.4	-61.4	0	0	0	0	111.6	L561 V584 H608 L609 D610 R616	L561-T612 HydrophobicContact CD1-CG2 4.32Å; L561-T612 HydrophobicContact CD2-CG2 4.2Å; V584-T612 HydrophobicContact CG1-CG2 4.5Å; H608-T612 VanDerWaalsContact O-CB 3.28Å; H608-T612 WeakPolarHBondContact O-CB 3.45Å; H608-T612 PolarHBondContact O-N 2.9Å; H608-T612 PolarHBondContact O-OG1 3.18Å; L609-T612 CarbonylContact O-C 3.57Å; L609-T612 WeakPolarHBondContact O-CA 3.45Å; L609-T612 WeakPolarHBondContact O-CB 3.46Å; L609-T612 PolarHBondContact O-N 3.48Å; L609-T612 VanDerWaalsContact O-N 3.09Å; D610-T612 PolarHBondContact O-N 3.21Å; T612-R616 PolarHBondContact O-N 3.36Å
613	V	85.9	Confident	86.3	Confident	16 Å²	16	64 Å²	64	10%	0.097	34%	0.335	C	S	.	.	H	α-helix	trans	-57.3	-52	169	163.2	0	0	0	0	109.9	Y558 F560 L561 L609 D610 K615 R616 L617	Y558-V613 HydrophobicContact CD1-CG2 3.68Å; Y558-V613 HydrophobicContact CE1-CG2 4.04Å; F560-V613 HydrophobicContact CE1-CG1 4.29Å; F560-V613 HydrophobicContact CE1-CG2 3.94Å; F560-V613 HydrophobicContact CZ-CB 4.19Å; F560-V613 HydrophobicContact CZ-CG1 3.99Å; F560-V613 HydrophobicContact CZ-CG2 3.86Å; L561-V613 HydrophobicContact CD1-CG2 4.24Å; L561-V613 HydrophobicContact CD2-CG2 4.29Å; L561-V613 HydrophobicContact CG-CG2 4.48Å; L609-V613 WeakPolarHBondContact O-CG2 3.16Å; L609-V613 PolarHBondContact O-N 2.75Å; D610-V613 WeakPolarHBondContact O-CB 3.46Å; D610-V613 PolarHBondContact O-N 2.55Å; V613-K615 PolarHBondContact O-N 2.87Å; V613-R616 PolarHBondContact O-N 3.31Å; V613-L617 HydrophobicContact CG1-CD1 3.51Å; V613-L617 HydrophobicContact CG1-CG 4.03Å; V613-L617 VanDerWaalsContact O-CB 3.32Å; V613-L617 WeakPolarHBondContact O-CB 3.32Å; V613-L617 WeakPolarHBondContact O-CG 3.47Å; V613-L617 PolarHBondContact O-N 2.77Å
614	E	84.4	Confident	86.6	Confident	128 Å²	128	64.6 Å²	64.6	60%	0.598	34%	0.342	S	S	*	.	H	α-helix	trans	-58.1	-45.6	-179.7	-176.1	-179.8	-147.6	0	0	112.2	D610 R616 G618	D610-E614 VanDerWaalsContact O-CB 3.29Å; D610-E614 WeakPolarHBondContact O-CB 3.28Å; D610-E614 PolarHBondContact O-N 2.72Å; E614-R616 PolarHBondContact O-N 3.1Å; E614-G618 WeakPolarHBondContact O-CA 3.47Å; E614-G618 PolarHBondContact O-N 3.3Å
615	K	86.6	Confident	86.9	Confident	154 Å²	154	64.4 Å²	64.4	67%	0.67	34%	0.336	S	S	*	.	H	α-helix	trans	-61.6	-41.6	176.8	-75.1	169.9	-177.3	179	0	112.9	R611 V613 S619	R611-K615 WeakPolarHBondContact O-CD 3.36Å; R611-K615 VanDerWaalsContact O-CG 3.26Å; R611-K615 WeakPolarHBondContact O-CG 3.49Å; R611-K615 PolarHBondContact O-N 3.35Å; R611-K615 VanDerWaalsContact O-N 3.17Å; V613-K615 PolarHBondContact O-N 2.87Å; K615-S619 PolarHBondContact O-N 3.13Å; K615-S619 PolarHBondContact O-OG 3.36Å
616	R	85.4	Confident	87	Confident	116 Å²	116	73.3 Å²	73.3	44%	0.438	37%	0.37	S	S	.	.	H	α-helix	trans	-74	-45.5	178.3	-69.5	-161	-170	-174.8	10.3	112.1	F560 L561 T612 V613 E614 S619 A620	F560-R616 HydrophobicContact CE2-CB 4.26Å; L561-R616 HydrophobicContact CD2-CG 4.49Å; L561-R616 PolarHBondContact O-NH1 3.2Å; L561-R616 PolarHBondContact O-NH2 3.2Å; T612-R616 PolarHBondContact O-N 3.36Å; V613-R616 PolarHBondContact O-N 3.31Å; E614-R616 PolarHBondContact O-N 3.1Å; R616-S619 WeakPolarHBondContact O-CB 3.34Å; R616-S619 PolarHBondContact O-N 3.29Å; R616-A620 PolarHBondContact O-N 3.09Å; R616-A620 VanDerWaalsContact O-N 3.09Å
617	L	86.2	Confident	87.3	Confident	74 Å²	74	74.8 Å²	74.8	39%	0.387	38%	0.377	S	S	.	.	H	α-helix	trans	-63.7	-43.6	176.7	-71.3	-175.3	0	0	0	111.1	F560 V613 S619 A620 I621	F560-L617 HydrophobicContact CE2-CD2 4.2Å; F560-L617 HydrophobicContact CE2-CG 4.47Å; F560-L617 HydrophobicContact CZ-CD2 4.1Å; F560-L617 HydrophobicContact CZ-CG 4.07Å; V613-L617 HydrophobicContact CG1-CD1 3.51Å; V613-L617 HydrophobicContact CG1-CG 4.03Å; V613-L617 VanDerWaalsContact O-CB 3.32Å; V613-L617 WeakPolarHBondContact O-CB 3.32Å; V613-L617 WeakPolarHBondContact O-CG 3.47Å; V613-L617 PolarHBondContact O-N 2.77Å; L617-S619 VanDerWaalsContact C-N 3.31Å; L617-S619 PolarHBondContact O-N 2.89Å; L617-A620 CarbonylContact O-C 3.6Å; L617-A620 PolarHBondContact O-N 3.43Å; L617-A620 VanDerWaalsContact O-N 3.1Å; L617-I621 HydrophobicContact CB-CD1 4.19Å; L617-I621 VanDerWaalsContact O-CB 3.28Å; L617-I621 WeakPolarHBondContact O-CB 3.29Å; L617-I621 WeakPolarHBondContact O-CD1 3.3Å; L617-I621 WeakPolarHBondContact O-CG1 3.39Å; L617-I621 PolarHBondContact O-N 2.88Å
618	G	87	Confident	87.5	Confident	26 Å²	26	73.4 Å²	73.4	27%	0.268	37%	0.371	S	S	.	.	H	α-helix	trans	-56.4	-43.9	175.5	0	0	0	0	0	112.3	E614 A620 I621 I622	E614-G618 WeakPolarHBondContact O-CA 3.47Å; E614-G618 PolarHBondContact O-N 3.3Å; G618-A620 PolarHBondContact O-N 2.92Å; G618-I621 PolarHBondContact O-N 3.45Å; G618-I622 WeakPolarHBondContact O-CB 3.28Å; G618-I622 WeakPolarHBondContact O-CD1 3.19Å; G618-I622 VanDerWaalsContact O-CG1 3.23Å; G618-I622 WeakPolarHBondContact O-CG1 3.18Å; G618-I622 PolarHBondContact O-N 2.91Å
619	S	86.3	Confident	87.6	Confident	83 Å²	83	74.8 Å²	74.8	58%	0.58	37%	0.373	S	S	*	.	H	α-helix	trans	-60.7	-44.2	174.2	-57	0	0	0	0	112.5	K615 R616 L617 A623	K615-S619 PolarHBondContact O-N 3.13Å; K615-S619 PolarHBondContact O-OG 3.36Å; R616-S619 WeakPolarHBondContact O-CB 3.34Å; R616-S619 PolarHBondContact O-N 3.29Å; L617-S619 VanDerWaalsContact C-N 3.31Å; L617-S619 PolarHBondContact O-N 2.89Å; S619-A623 PolarHBondContact O-N 2.8Å; S619-A623 VanDerWaalsContact O-N 3.17Å
620	A	86.7	Confident	87.6	Confident	53 Å²	53	76.2 Å²	76.2	44%	0.438	39%	0.388	S	S	.	.	H	α-helix	trans	-69.3	-40	177	0	0	0	0	0	112.8	R616 L617 G618 A623 V624	R616-A620 PolarHBondContact O-N 3.09Å; R616-A620 VanDerWaalsContact O-N 3.09Å; L617-A620 CarbonylContact O-C 3.6Å; L617-A620 PolarHBondContact O-N 3.43Å; L617-A620 VanDerWaalsContact O-N 3.1Å; G618-A620 PolarHBondContact O-N 2.92Å; A620-A623 WeakPolarHBondContact O-CB 3.23Å; A620-A623 PolarHBondContact O-N 3.31Å; A620-V624 WeakPolarHBondContact O-CG2 3.42Å; A620-V624 PolarHBondContact O-N 3.46Å
621	I	88.4	Confident	87.8	Confident	83 Å²	83	74.3 Å²	74.3	43%	0.426	38%	0.378	S	S	.	.	H	α-helix	trans	-63.6	-42.4	176.7	-72.2	164	0	0	0	109.9	L617 G618 A623 V624 Q625	L617-I621 HydrophobicContact CB-CD1 4.19Å; L617-I621 VanDerWaalsContact O-CB 3.28Å; L617-I621 WeakPolarHBondContact O-CB 3.29Å; L617-I621 WeakPolarHBondContact O-CD1 3.3Å; L617-I621 WeakPolarHBondContact O-CG1 3.39Å; L617-I621 PolarHBondContact O-N 2.88Å; G618-I621 PolarHBondContact O-N 3.45Å; I621-A623 VanDerWaalsContact C-N 3.33Å; I621-A623 PolarHBondContact O-N 3.09Å; I621-V624 PolarHBondContact O-N 3.19Å; I621-Q625 HydrophobicContact CG2-CG 4.15Å; I621-Q625 VanDerWaalsContact O-CB 3.24Å; I621-Q625 WeakPolarHBondContact O-CB 3.48Å; I621-Q625 WeakPolarHBondContact O-CG 3.29Å; I621-Q625 PolarHBondContact O-N 2.94Å
622	I	88.4	Confident	87.9	Confident	113 Å²	113	69.5 Å²	69.5	58%	0.579	36%	0.361	S	S	*	.	H	α-helix	trans	-61.9	-41.5	173.9	-70.9	163.9	0	0	0	110.6	G618 R626	G618-I622 WeakPolarHBondContact O-CB 3.28Å; G618-I622 WeakPolarHBondContact O-CD1 3.19Å; G618-I622 VanDerWaalsContact O-CG1 3.23Å; G618-I622 WeakPolarHBondContact O-CG1 3.18Å; G618-I622 PolarHBondContact O-N 2.91Å; I622-R626 VanDerWaalsContact O-CB 3.29Å; I622-R626 WeakPolarHBondContact O-CB 3.43Å; I622-R626 PolarHBondContact O-N 3.18Å
623	A	89	Confident	88	Confident	41 Å²	41	71.9 Å²	71.9	34%	0.339	38%	0.375	S	S	.	.	H	α-helix	trans	-63.7	-45.7	176.1	0	0	0	0	0	112.3	S619 A620 I621 R626 I627	S619-A623 PolarHBondContact O-N 2.8Å; S619-A623 VanDerWaalsContact O-N 3.17Å; A620-A623 WeakPolarHBondContact O-CB 3.23Å; A620-A623 PolarHBondContact O-N 3.31Å; I621-A623 VanDerWaalsContact C-N 3.33Å; I621-A623 PolarHBondContact O-N 3.09Å; A623-R626 PolarHBondContact O-N 2.78Å; A623-I627 WeakPolarHBondContact O-CD1 3.33Å; A623-I627 WeakPolarHBondContact O-CG1 3.42Å; A623-I627 PolarHBondContact O-N 2.93Å
624	V	90.2	Very high	88.2	Confident	65 Å²	65	76.9 Å²	76.9	39%	0.394	39%	0.393	S	S	.	.	H	α-helix	trans	-64	-47.4	175.5	172.5	0	0	0	0	111	A620 I621 R626 I627 C628 F1098	A620-V624 WeakPolarHBondContact O-CG2 3.42Å; A620-V624 PolarHBondContact O-N 3.46Å; I621-V624 PolarHBondContact O-N 3.19Å; V624-R626 VanDerWaalsContact C-N 3.3Å; V624-R626 PolarHBondContact O-N 3.15Å; V624-I627 PolarHBondContact O-N 3.47Å; V624-I627 VanDerWaalsContact O-N 3.12Å; V624-C628 WeakPolarHBondContact O-CB 3.31Å; V624-C628 PolarHBondContact O-N 3Å; V624-C628 PolarHBondContact O-SG 3.2Å; V624-C628 VanDerWaalsContact O-SG 3.36Å; V624-F1098 HydrophobicContact CG1-CE1 4.1Å
625	Q	89.5	Confident	88.4	Confident	72 Å²	72	74.3 Å²	74.3	34%	0.336	38%	0.377	S	S	.	.	H	α-helix	trans	-58.2	-40.8	175.8	-76.4	178.1	1.8	0	0	111.7	I621 R629	I621-Q625 HydrophobicContact CG2-CG 4.15Å; I621-Q625 VanDerWaalsContact O-CB 3.24Å; I621-Q625 WeakPolarHBondContact O-CB 3.48Å; I621-Q625 WeakPolarHBondContact O-CG 3.29Å; I621-Q625 PolarHBondContact O-N 2.94Å; Q625-R629 WeakPolarHBondContact O-CB 3.47Å; Q625-R629 WeakPolarHBondContact O-CG 3.43Å; Q625-R629 PolarHBondContact O-N 3.43Å
626	R	90.5	Very high	88.5	Confident	188 Å²	188	71.6 Å²	71.6	71%	0.709	37%	0.367	S	S	*	.	H	α-helix	trans	-61	-46.1	174.6	-173.4	-175.1	72.1	164.8	3	111.3	I622 A623 V624 G630	I622-R626 VanDerWaalsContact O-CB 3.29Å; I622-R626 WeakPolarHBondContact O-CB 3.43Å; I622-R626 PolarHBondContact O-N 3.18Å; A623-R626 PolarHBondContact O-N 2.78Å; V624-R626 VanDerWaalsContact C-N 3.3Å; V624-R626 PolarHBondContact O-N 3.15Å; R626-G630 PolarHBondContact O-N 2.84Å
627	I	90.6	Very high	88.7	Confident	55 Å²	55	72.9 Å²	72.9	28%	0.282	37%	0.373	S	S	.	.	H	α-helix	trans	-65.2	-49.4	178.6	-67.7	162	0	0	0	110.5	A623 V624 G630 F631 I1090 V1095	A623-I627 WeakPolarHBondContact O-CD1 3.33Å; A623-I627 WeakPolarHBondContact O-CG1 3.42Å; A623-I627 PolarHBondContact O-N 2.93Å; V624-I627 PolarHBondContact O-N 3.47Å; V624-I627 VanDerWaalsContact O-N 3.12Å; I627-G630 PolarHBondContact O-N 3.24Å; I627-F631 WeakPolarHBondContact O-CB 3.41Å; I627-F631 PolarHBondContact O-N 3.38Å; I627-I1090 HydrophobicContact CD1-CD1 4.03Å; I627-V1095 HydrophobicContact CG2-CG2 3.87Å
628	C	88.7	Confident	89	Confident	6 Å²	6	74.9 Å²	74.9	4%	0.041	38%	0.379	C	S	.	.	H	α-helix	trans	-62.2	-50	178.4	-66.6	0	0	0	0	111.7	V624 G630 F631 L632	V624-C628 WeakPolarHBondContact O-CB 3.31Å; V624-C628 PolarHBondContact O-N 3Å; V624-C628 PolarHBondContact O-SG 3.2Å; V624-C628 VanDerWaalsContact O-SG 3.36Å; C628-G630 VanDerWaalsContact C-N 3.31Å; C628-G630 PolarHBondContact O-N 3.28Å; C628-F631 PolarHBondContact O-N 3.46Å; C628-L632 WeakPolarHBondContact O-CB 3.42Å; C628-L632 WeakPolarHBondContact O-CD1 3.4Å; C628-L632 WeakPolarHBondContact O-CG 3.19Å; C628-L632 PolarHBondContact O-N 3.25Å
629	R	88.9	Confident	89.1	Confident	108 Å²	108	81 Å²	81	41%	0.408	39%	0.393	S	S	.	.	H	α-helix	trans	-58.3	-44.4	176.6	-72.2	171.6	176.2	173.5	-1.4	111.1	Q625 L632 V633 I1120	Q625-R629 WeakPolarHBondContact O-CB 3.47Å; Q625-R629 WeakPolarHBondContact O-CG 3.43Å; Q625-R629 PolarHBondContact O-N 3.43Å; R629-L632 PolarHBondContact O-N 2.96Å; R629-V633 WeakPolarHBondContact O-CB 3.26Å; R629-V633 WeakPolarHBondContact O-CG2 3.41Å; R629-V633 PolarHBondContact O-N 3.13Å; R629-I1120 HydrophobicContact CG-CG2 3.92Å; R629-I1120 VanDerWaalsContact CZ-O 3.3Å; R629-I1120 PolarHBondContact NE-O 3.45Å; R629-I1120 PolarHBondContact NH2-O 2.8Å
630	G	88.1	Confident	89.4	Confident	31 Å²	31	79.8 Å²	79.8	32%	0.32	39%	0.385	S	S	.	.	H	α-helix	trans	-58.4	-52.3	173.9	0	0	0	0	0	112.6	R626 I627 C628 L632 V633 R634	R626-G630 PolarHBondContact O-N 2.84Å; I627-G630 PolarHBondContact O-N 3.24Å; C628-G630 VanDerWaalsContact C-N 3.31Å; C628-G630 PolarHBondContact O-N 3.28Å; G630-L632 VanDerWaalsContact C-N 3.34Å; G630-L632 PolarHBondContact O-N 2.99Å; G630-V633 PolarHBondContact O-N 3.02Å; G630-R634 WeakPolarHBondContact O-CB 3.5Å; G630-R634 VanDerWaalsContact O-CG 3.28Å; G630-R634 WeakPolarHBondContact O-CG 3.48Å; G630-R634 PolarHBondContact O-N 3.3Å
631	F	88.8	Confident	89.7	Confident	4 Å²	4	82.3 Å²	82.3	2%	0.018	39%	0.386	C	S	.	.	H	α-helix	trans	-55.8	-46.2	176	170.6	-101.2	0	0	0	112.2	I627 C628 R634 R635 D1092 V1095 D1096 L1099	I627-F631 WeakPolarHBondContact O-CB 3.41Å; I627-F631 PolarHBondContact O-N 3.38Å; C628-F631 PolarHBondContact O-N 3.46Å; F631-R634 PolarHBondContact O-N 3.32Å; F631-R635 VanDerWaalsContact O-CB 3.26Å; F631-R635 WeakPolarHBondContact O-CB 3.4Å; F631-R635 PolarHBondContact O-N 2.93Å; F631-D1092 HydrophobicContact CD2-CB 4.4Å; F631-D1092 WeakPolarHBondContact CD2-OD1 3.46Å; F631-D1092 HydrophobicContact CE2-CB 4.13Å; F631-V1095 HydrophobicContact CB-CG1 3.86Å; F631-V1095 HydrophobicContact CD1-CG1 3.75Å; F631-V1095 HydrophobicContact CD2-CB 4.13Å; F631-V1095 HydrophobicContact CD2-CG1 4.01Å; F631-V1095 HydrophobicContact CE1-CG1 4.31Å; F631-V1095 HydrophobicContact CE2-CB 4.47Å; F631-V1095 HydrophobicContact CG-CB 4.23Å; F631-V1095 HydrophobicContact CG-CG1 3.59Å; F631-D1096 HydrophobicContact CZ-CB 4.26Å; F631-L1099 HydrophobicContact CD1-CD1 3.82Å; F631-L1099 HydrophobicContact CE1-CD1 3.66Å
632	L	88.7	Confident	89.9	Confident	15 Å²	15	86 Å²	86	8%	0.079	40%	0.398	C	S	.	.	H	α-helix	trans	-67.8	-39.8	-177.9	-67.8	164.6	0	0	0	112.2	C628 R629 G630 Q636 A1117	C628-L632 WeakPolarHBondContact O-CB 3.42Å; C628-L632 WeakPolarHBondContact O-CD1 3.4Å; C628-L632 WeakPolarHBondContact O-CG 3.19Å; C628-L632 PolarHBondContact O-N 3.25Å; R629-L632 PolarHBondContact O-N 2.96Å; G630-L632 VanDerWaalsContact C-N 3.34Å; G630-L632 PolarHBondContact O-N 2.99Å; L632-Q636 WeakPolarHBondContact O-CB 3.44Å; L632-Q636 PolarHBondContact O-N 3.4Å; L632-A1117 HydrophobicContact CD1-CB 3.35Å; L632-A1117 HydrophobicContact CD2-CB 3.38Å; L632-A1117 HydrophobicContact CG-CB 3.87Å
633	V	88.7	Confident	90.1	Very high	79 Å²	79	82.9 Å²	82.9	48%	0.479	39%	0.39	S	S	.	.	H	α-helix	trans	-66.8	-45.6	171.7	172.6	0	0	0	0	110.7	R629 G630 R635 Q636 Y637	R629-V633 WeakPolarHBondContact O-CB 3.26Å; R629-V633 WeakPolarHBondContact O-CG2 3.41Å; R629-V633 PolarHBondContact O-N 3.13Å; G630-V633 PolarHBondContact O-N 3.02Å; V633-R635 VanDerWaalsContact C-N 3.33Å; V633-R635 PolarHBondContact O-N 2.91Å; V633-Q636 PolarHBondContact O-N 3.26Å; V633-Y637 WeakPolarHBondContact O-CB 3.38Å; V633-Y637 PolarHBondContact O-N 3.11Å
634	R	90.7	Very high	90.3	Very high	121 Å²	121	84.3 Å²	84.3	46%	0.457	39%	0.394	S	S	.	.	H	α-helix	trans	-57.9	-43.1	174.5	-72.2	-167.7	-51.7	-141.8	10.2	111.8	G630 F631 K638 D1092	G630-R634 WeakPolarHBondContact O-CB 3.5Å; G630-R634 VanDerWaalsContact O-CG 3.28Å; G630-R634 WeakPolarHBondContact O-CG 3.48Å; G630-R634 PolarHBondContact O-N 3.3Å; F631-R634 PolarHBondContact O-N 3.32Å; R634-K638 VanDerWaalsContact O-CB 3.28Å; R634-K638 WeakPolarHBondContact O-CB 3.43Å; R634-K638 WeakPolarHBondContact O-CG 3.44Å; R634-K638 PolarHBondContact O-N 2.99Å; R634-D1092 IonicContact CZ-OD1 2.71Å; R634-D1092 IonicContact NE-OD1 2.7Å; R634-D1092 IonicContact NH2-OD1 2.86Å; R634-D1092 PolarHBondContact NH2-OD1 3.47Å
635	R	88.1	Confident	90.4	Very high	74 Å²	74	85.6 Å²	85.6	28%	0.279	40%	0.398	S	S	.	.	H	α-helix	trans	-65.3	-42.6	178.9	-169.8	179.4	-163.4	160.5	15.2	111.6	F631 V633 R639 D1096	F631-R635 VanDerWaalsContact O-CB 3.26Å; F631-R635 WeakPolarHBondContact O-CB 3.4Å; F631-R635 PolarHBondContact O-N 2.93Å; V633-R635 VanDerWaalsContact C-N 3.33Å; V633-R635 PolarHBondContact O-N 2.91Å; R635-R639 WeakPolarHBondContact O-CG 3.13Å; R635-R639 PolarHBondContact O-N 2.95Å; R635-D1096 IonicContact CZ-OD1 2.67Å; R635-D1096 VanDerWaalsContact CZ-OD1 3.22Å; R635-D1096 IonicContact CZ-OD2 3.84Å; R635-D1096 IonicContact NH1-OD1 2.83Å; R635-D1096 PolarHBondContact NH1-OD1 3.42Å; R635-D1096 IonicContact NH1-OD2 3.1Å; R635-D1096 IonicContact NH2-OD1 2.7Å; R635-D1096 PolarHBondContact NH2-OD1 3.24Å; R635-D1096 IonicContact NH2-OD2 2.7Å; R635-D1096 PolarHBondContact NH2-OD2 3.2Å
636	Q	88.6	Confident	90.5	Very high	97 Å²	97	85.4 Å²	85.4	45%	0.453	40%	0.402	S	S	.	.	H	α-helix	trans	-68.8	-44.8	176.1	-173.4	62.4	6.9	0	0	111.7	L632 V633 K638 R639 C640	L632-Q636 WeakPolarHBondContact O-CB 3.44Å; L632-Q636 PolarHBondContact O-N 3.4Å; V633-Q636 PolarHBondContact O-N 3.26Å; Q636-K638 PolarHBondContact O-N 3.08Å; Q636-R639 WeakPolarHBondContact O-CB 3.14Å; Q636-R639 PolarHBondContact O-N 3.3Å; Q636-R639 VanDerWaalsContact O-N 3.13Å; Q636-C640 PolarHBondContact O-N 3.02Å; Q636-C640 PolarHBondContact O-SG 2.84Å; Q636-C640 VanDerWaalsContact O-SG 3.37Å
637	Y	91.1	Very high	90.7	Very high	143 Å²	143	81.6 Å²	81.6	56%	0.561	39%	0.394	S	S	*	.	H	α-helix	trans	-59	-47.2	174.2	173.3	-97.9	0	0	0	112	V633 R639 C640 K641	V633-Y637 WeakPolarHBondContact O-CB 3.38Å; V633-Y637 PolarHBondContact O-N 3.11Å; Y637-R639 VanDerWaalsContact C-N 3.28Å; Y637-R639 PolarHBondContact O-N 3.3Å; Y637-C640 PolarHBondContact O-N 2.84Å; Y637-K641 HydrophobicContact CE1-CD 3.99Å; Y637-K641 WeakPolarHBondContact O-CB 3.27Å; Y637-K641 PolarHBondContact O-N 2.88Å; Y637-K641 PolarHBondContact OH-NZ 3.43Å
638	K	91.3	Very high	90.8	Very high	116 Å²	116	83.5 Å²	83.5	50%	0.504	40%	0.402	S	S	.	.	H	α-helix	trans	-55.3	-41.6	173.4	-76.4	171.9	-179.9	-175.1	0	111.4	R634 Q636 K642 D1092	R634-K638 VanDerWaalsContact O-CB 3.28Å; R634-K638 WeakPolarHBondContact O-CB 3.43Å; R634-K638 WeakPolarHBondContact O-CG 3.44Å; R634-K638 PolarHBondContact O-N 2.99Å; Q636-K638 PolarHBondContact O-N 3.08Å; K638-K642 WeakPolarHBondContact O-CB 3.4Å; K638-K642 PolarHBondContact O-N 3.19Å; K638-K642 VanDerWaalsContact O-N 3.14Å; K638-D1092 IonicContact NZ-OD2 2.64Å; K638-D1092 PolarHBondContact NZ-OD2 2.69Å
639	R	90.3	Very high	91.1	Very high	153 Å²	153	86.3 Å²	86.3	58%	0.577	42%	0.422	S	S	*	.	H	α-helix	trans	-66.9	-52.7	175.7	-79.3	175.7	166.8	176.7	-4.5	112.6	R635 Q636 Y637 K641 K642 A643	R635-R639 WeakPolarHBondContact O-CG 3.13Å; R635-R639 PolarHBondContact O-N 2.95Å; Q636-R639 WeakPolarHBondContact O-CB 3.14Å; Q636-R639 PolarHBondContact O-N 3.3Å; Q636-R639 VanDerWaalsContact O-N 3.13Å; Y637-R639 VanDerWaalsContact C-N 3.28Å; Y637-R639 PolarHBondContact O-N 3.3Å; R639-K641 PolarHBondContact O-N 2.93Å; R639-K642 PolarHBondContact O-N 2.82Å; R639-A643 PolarHBondContact O-N 2.87Å
640	C	91.6	Very high	91.2	Very high	59 Å²	59	90.1 Å²	90.1	40%	0.399	44%	0.436	S	S	.	.	H	α-helix	trans	-58.4	-47	178.7	-68.4	0	0	0	0	111.4	Q636 Y637 K642 A643 V644	Q636-C640 PolarHBondContact O-N 3.02Å; Q636-C640 PolarHBondContact O-SG 2.84Å; Q636-C640 VanDerWaalsContact O-SG 3.37Å; Y637-C640 PolarHBondContact O-N 2.84Å; C640-K642 PolarHBondContact O-N 2.84Å; C640-A643 PolarHBondContact O-N 2.82Å; C640-A643 VanDerWaalsContact O-N 3.14Å; C640-V644 WeakPolarHBondContact O-CG2 3.26Å; C640-V644 PolarHBondContact O-N 2.76Å
641	K	93.5	Very high	91.4	Very high	106 Å²	106	92.3 Å²	92.3	46%	0.461	44%	0.443	S	S	.	.	H	α-helix	trans	-58.3	-44.3	176.2	-173	167	-172.3	165.8	0	112.2	Y637 R639 I645	Y637-K641 HydrophobicContact CE1-CD 3.99Å; Y637-K641 WeakPolarHBondContact O-CB 3.27Å; Y637-K641 PolarHBondContact O-N 2.88Å; Y637-K641 PolarHBondContact OH-NZ 3.43Å; R639-K641 PolarHBondContact O-N 2.93Å; K641-I645 HydrophobicContact CG-CD1 3.86Å; K641-I645 WeakPolarHBondContact O-CB 3.21Å; K641-I645 WeakPolarHBondContact O-CD1 3.45Å; K641-I645 VanDerWaalsContact O-CG1 3.24Å; K641-I645 WeakPolarHBondContact O-CG1 3.24Å; K641-I645 PolarHBondContact O-N 3.3Å
642	K	92.1	Very high	91.6	Very high	159 Å²	159	100.6 Å²	100.6	69%	0.691	47%	0.474	S	S	*	.	H	α-helix	trans	-63.4	-41.9	175.1	-171.4	175.7	-178.3	178.6	0	112	K638 R639 C640 T646	K638-K642 WeakPolarHBondContact O-CB 3.4Å; K638-K642 PolarHBondContact O-N 3.19Å; K638-K642 VanDerWaalsContact O-N 3.14Å; R639-K642 PolarHBondContact O-N 2.82Å; C640-K642 PolarHBondContact O-N 2.84Å; K642-T646 WeakPolarHBondContact O-CB 3.34Å; K642-T646 PolarHBondContact O-N 2.87Å; K642-T646 PolarHBondContact O-OG1 2.71Å
643	A	93.1	Very high	91.8	Very high	48 Å²	48	100.9 Å²	100.9	40%	0.397	48%	0.48	S	S	.	.	H	α-helix	trans	-63.6	-49.6	176.9	0	0	0	0	0	112.1	R639 C640 I645 T646 I647	R639-A643 PolarHBondContact O-N 2.87Å; C640-A643 PolarHBondContact O-N 2.82Å; C640-A643 VanDerWaalsContact O-N 3.14Å; A643-I645 PolarHBondContact O-N 3.25Å; A643-T646 WeakPolarHBondContact O-CB 3.49Å; A643-T646 PolarHBondContact O-N 3.45Å; A643-T646 VanDerWaalsContact O-N 3.11Å; A643-I647 WeakPolarHBondContact O-CG1 3.44Å; A643-I647 PolarHBondContact O-N 2.79Å
644	V	92.2	Very high	92	Very high	71 Å²	71	103.5 Å²	103.5	43%	0.43	48%	0.483	S	S	.	.	H	α-helix	trans	-58.9	-47.1	177.9	171.3	0	0	0	0	111.2	C640 T646 I647 Q648	C640-V644 WeakPolarHBondContact O-CG2 3.26Å; C640-V644 PolarHBondContact O-N 2.76Å; V644-T646 VanDerWaalsContact C-N 3.3Å; V644-T646 PolarHBondContact O-N 2.73Å; V644-I647 PolarHBondContact O-N 3.19Å; V644-Q648 HydrophobicContact CG1-CG 4.18Å; V644-Q648 WeakPolarHBondContact O-CB 3.39Å; V644-Q648 VanDerWaalsContact O-CG 3.31Å; V644-Q648 WeakPolarHBondContact O-CG 3.17Å; V644-Q648 PolarHBondContact O-N 3.22Å
645	I	93.8	Very high	92.1	Very high	92 Å²	92	101.7 Å²	101.7	47%	0.472	48%	0.482	S	S	.	.	H	α-helix	trans	-61.6	-37.8	176.2	-68.3	167.5	0	0	0	111.5	K641 A643 S649	K641-I645 HydrophobicContact CG-CD1 3.86Å; K641-I645 WeakPolarHBondContact O-CB 3.21Å; K641-I645 WeakPolarHBondContact O-CD1 3.45Å; K641-I645 VanDerWaalsContact O-CG1 3.24Å; K641-I645 WeakPolarHBondContact O-CG1 3.24Å; K641-I645 PolarHBondContact O-N 3.3Å; A643-I645 PolarHBondContact O-N 3.25Å; I645-S649 VanDerWaalsContact O-CB 3.31Å; I645-S649 WeakPolarHBondContact O-CB 3.36Å; I645-S649 PolarHBondContact O-N 2.82Å; I645-S649 PolarHBondContact O-OG 3.47Å
646	T	92.1	Very high	92.2	Very high	69 Å²	69	101.1 Å²	101.1	42%	0.423	49%	0.493	S	S	.	.	H	α-helix	trans	-66.9	-41.8	176.8	-55.6	0	0	0	0	111.6	K642 A643 V644 S649 R650	K642-T646 WeakPolarHBondContact O-CB 3.34Å; K642-T646 PolarHBondContact O-N 2.87Å; K642-T646 PolarHBondContact O-OG1 2.71Å; A643-T646 WeakPolarHBondContact O-CB 3.49Å; A643-T646 PolarHBondContact O-N 3.45Å; A643-T646 VanDerWaalsContact O-N 3.11Å; V644-T646 VanDerWaalsContact C-N 3.3Å; V644-T646 PolarHBondContact O-N 2.73Å; T646-S649 PolarHBondContact O-OG 3.31Å; T646-S649 VanDerWaalsContact O-OG 3.08Å; T646-R650 WeakPolarHBondContact O-CB 3.39Å; T646-R650 WeakPolarHBondContact O-CG 3.43Å; T646-R650 PolarHBondContact O-N 2.82Å; T646-R650 VanDerWaalsContact O-N 3.15Å
647	I	93.6	Very high	92.4	Very high	107 Å²	107	103.8 Å²	103.8	55%	0.549	50%	0.499	S	S	.	.	H	α-helix	trans	-67.4	-51	176.7	-66.2	163.4	0	0	0	110.3	A643 V644 S649 R650 V651	A643-I647 WeakPolarHBondContact O-CG1 3.44Å; A643-I647 PolarHBondContact O-N 2.79Å; V644-I647 PolarHBondContact O-N 3.19Å; I647-S649 VanDerWaalsContact C-N 3.34Å; I647-S649 PolarHBondContact O-N 3.36Å; I647-R650 PolarHBondContact O-N 3.26Å; I647-R650 VanDerWaalsContact O-N 3.14Å; I647-V651 HydrophobicContact CG2-CG2 4.35Å; I647-V651 WeakPolarHBondContact O-CG2 3.35Å; I647-V651 PolarHBondContact O-N 2.91Å
648	Q	93.3	Very high	92.5	Very high	95 Å²	95	100.1 Å²	100.1	44%	0.444	49%	0.489	S	S	.	.	H	α-helix	trans	-59.1	-41.6	-179.9	-73.4	177.9	-10.4	0	0	112.5	V644 V651 R652	V644-Q648 HydrophobicContact CG1-CG 4.18Å; V644-Q648 WeakPolarHBondContact O-CB 3.39Å; V644-Q648 VanDerWaalsContact O-CG 3.31Å; V644-Q648 WeakPolarHBondContact O-CG 3.17Å; V644-Q648 PolarHBondContact O-N 3.22Å; Q648-V651 PolarHBondContact O-N 3.49Å; Q648-R652 WeakPolarHBondContact O-CB 3.46Å; Q648-R652 VanDerWaalsContact O-CG 3.24Å; Q648-R652 WeakPolarHBondContact O-CG 3.43Å; Q648-R652 PolarHBondContact O-N 3.44Å
649	S	93.8	Very high	92.4	Very high	65 Å²	65	102.4 Å²	102.4	46%	0.455	49%	0.494	S	S	.	.	H	α-helix	trans	-68.4	-36.2	176.5	54.6	0	0	0	0	112.7	I645 T646 I647 G653	I645-S649 VanDerWaalsContact O-CB 3.31Å; I645-S649 WeakPolarHBondContact O-CB 3.36Å; I645-S649 PolarHBondContact O-N 2.82Å; I645-S649 PolarHBondContact O-OG 3.47Å; T646-S649 PolarHBondContact O-OG 3.31Å; T646-S649 VanDerWaalsContact O-OG 3.08Å; I647-S649 VanDerWaalsContact C-N 3.34Å; I647-S649 PolarHBondContact O-N 3.36Å; S649-G653 PolarHBondContact O-N 3.29Å
650	R	92.1	Very high	92.4	Very high	189 Å²	189	101.5 Å²	101.5	71%	0.713	49%	0.494	S	S	*	.	H	α-helix	trans	-65.8	-42.9	173.1	-70.2	-75.9	178.1	169.1	-0.5	112.1	T646 I647 G653 Y654	T646-R650 WeakPolarHBondContact O-CB 3.39Å; T646-R650 WeakPolarHBondContact O-CG 3.43Å; T646-R650 PolarHBondContact O-N 2.82Å; T646-R650 VanDerWaalsContact O-N 3.15Å; I647-R650 PolarHBondContact O-N 3.26Å; I647-R650 VanDerWaalsContact O-N 3.14Å; R650-G653 PolarHBondContact O-N 3.24Å; R650-Y654 WeakPolarHBondContact O-CB 3.31Å; R650-Y654 PolarHBondContact O-N 3.47Å
651	V	93	Very high	92.3	Very high	76 Å²	76	101.3 Å²	101.3	46%	0.461	50%	0.498	S	S	.	.	H	α-helix	trans	-66.5	-50.4	176.7	173.3	0	0	0	0	111.3	I647 Q648 G653 Y654 N655	I647-V651 HydrophobicContact CG2-CG2 4.35Å; I647-V651 WeakPolarHBondContact O-CG2 3.35Å; I647-V651 PolarHBondContact O-N 2.91Å; Q648-V651 PolarHBondContact O-N 3.49Å; V651-G653 VanDerWaalsContact C-N 3.26Å; V651-G653 PolarHBondContact O-N 3.18Å; V651-Y654 WeakPolarHBondContact O-CA 3.44Å; V651-Y654 WeakPolarHBondContact O-CB 3.29Å; V651-Y654 PolarHBondContact O-N 3Å; V651-N655 PolarHBondContact O-N 3.36Å; V651-N655 PolarHBondContact O-OD1 3.36Å
652	R	91.5	Very high	92.1	Very high	179 Å²	179	103.1 Å²	103.1	68%	0.675	50%	0.501	S	S	*	.	H	α-helix	trans	-55.3	-43	174.6	-71.9	175.2	-172.2	-167.4	3.5	111.4	Q648 N655 A656	Q648-R652 WeakPolarHBondContact O-CB 3.46Å; Q648-R652 VanDerWaalsContact O-CG 3.24Å; Q648-R652 WeakPolarHBondContact O-CG 3.43Å; Q648-R652 PolarHBondContact O-N 3.44Å; R652-N655 PolarHBondContact O-N 2.88Å; R652-A656 WeakPolarHBondContact O-CB 3.39Å; R652-A656 PolarHBondContact O-N 3.19Å
653	G	92.4	Very high	91.8	Very high	20 Å²	20	100 Å²	100	21%	0.206	49%	0.49	C	S	.	.	H	α-helix	trans	-66.2	-32.6	175	0	0	0	0	0	114.1	S649 R650 V651 R657	S649-G653 PolarHBondContact O-N 3.29Å; R650-G653 PolarHBondContact O-N 3.24Å; V651-G653 VanDerWaalsContact C-N 3.26Å; V651-G653 PolarHBondContact O-N 3.18Å; G653-R657 WeakPolarHBondContact O-CG 3.43Å; G653-R657 PolarHBondContact O-N 3.49Å; G653-R657 VanDerWaalsContact O-N 3.16Å; G653-R657 PolarHBondContact O-NH1 2.98Å; G653-R657 VanDerWaalsContact O-NH1 3.08Å
654	Y	92.9	Very high	91.5	Very high	134 Å²	134	104.8 Å²	104.8	53%	0.525	50%	0.502	S	S	.	.	H	α-helix	trans	-68.7	-49.9	173.6	177.6	-93.1	0	0	0	111	R650 V651 A656 R657 L658	R650-Y654 WeakPolarHBondContact O-CB 3.31Å; R650-Y654 PolarHBondContact O-N 3.47Å; V651-Y654 WeakPolarHBondContact O-CA 3.44Å; V651-Y654 WeakPolarHBondContact O-CB 3.29Å; V651-Y654 PolarHBondContact O-N 3Å; Y654-A656 VanDerWaalsContact C-N 3.29Å; Y654-A656 PolarHBondContact O-N 3.1Å; Y654-R657 PolarHBondContact O-N 3.2Å; Y654-L658 HydrophobicContact CE1-CD2 4.4Å; Y654-L658 PolarHBondContact O-N 3.17Å
655	N	92.9	Very high	91.3	Very high	84 Å²	84	106.3 Å²	106.3	45%	0.449	51%	0.507	S	S	.	.	H	α-helix	trans	-60.6	-39.6	178	-66.4	18.9	0	0	0	111.3	V651 R652 R657 L658 R659	V651-N655 PolarHBondContact O-N 3.36Å; V651-N655 PolarHBondContact O-OD1 3.36Å; R652-N655 PolarHBondContact O-N 2.88Å; N655-R657 PolarHBondContact O-N 3.05Å; N655-L658 PolarHBondContact O-N 3.02Å; N655-R659 WeakPolarHBondContact O-CB 3.44Å; N655-R659 PolarHBondContact O-N 3.23Å
656	A	92	Very high	90.9	Very high	61 Å²	61	107.3 Å²	107.3	50%	0.504	51%	0.512	S	S	.	.	H	α-helix	trans	-61.2	-42.1	173.6	0	0	0	0	0	112.8	R652 Y654 F660	R652-A656 WeakPolarHBondContact O-CB 3.39Å; R652-A656 PolarHBondContact O-N 3.19Å; Y654-A656 VanDerWaalsContact C-N 3.29Å; Y654-A656 PolarHBondContact O-N 3.1Å; A656-F660 WeakPolarHBondContact O-CB 3.39Å; A656-F660 PolarHBondContact O-N 2.8Å
657	R	92.1	Very high	90.5	Very high	153 Å²	153	106.9 Å²	106.9	58%	0.577	52%	0.515	S	S	*	.	H	α-helix	trans	-67.2	-39	174.3	-74.9	-176.1	-62.6	-84.4	-1.6	112.3	G653 Y654 N655 F660 A661	G653-R657 WeakPolarHBondContact O-CG 3.43Å; G653-R657 PolarHBondContact O-N 3.49Å; G653-R657 VanDerWaalsContact O-N 3.16Å; G653-R657 PolarHBondContact O-NH1 2.98Å; G653-R657 VanDerWaalsContact O-NH1 3.08Å; Y654-R657 PolarHBondContact O-N 3.2Å; N655-R657 PolarHBondContact O-N 3.05Å; R657-F660 PolarHBondContact O-N 3.32Å; R657-A661 WeakPolarHBondContact O-CB 3.46Å; R657-A661 PolarHBondContact O-N 2.82Å
658	L	92.4	Very high	89.9	Confident	66 Å²	66	107.7 Å²	107.7	35%	0.346	52%	0.516	S	S	.	.	H	α-helix	trans	-65.1	-44.1	176.6	-171.1	69	0	0	0	111.3	Y654 N655 A661 R662	Y654-L658 HydrophobicContact CE1-CD2 4.4Å; Y654-L658 PolarHBondContact O-N 3.17Å; N655-L658 PolarHBondContact O-N 3.02Å; L658-A661 PolarHBondContact O-N 3.5Å; L658-R662 WeakPolarHBondContact O-CG 3.46Å; L658-R662 PolarHBondContact O-N 2.78Å
659	R	89.5	Confident	89.4	Confident	164 Å²	164	107.7 Å²	107.7	62%	0.619	52%	0.516	S	S	*	.	H	α-helix	trans	-61.9	-43.5	173.1	-172.4	176.8	175.4	-172.3	0.3	111.3	N655 R662 M663	N655-R659 WeakPolarHBondContact O-CB 3.44Å; N655-R659 PolarHBondContact O-N 3.23Å; R659-R662 PolarHBondContact O-N 3.43Å; R659-M663 HydrophobicContact CG-CE 4.26Å; R659-M663 HydrophobicContact CG-SD 4.4Å; R659-M663 WeakPolarHBondContact O-CB 3.24Å; R659-M663 VanDerWaalsContact O-CG 3.3Å; R659-M663 WeakPolarHBondContact O-CG 3.41Å; R659-M663 PolarHBondContact O-N 3.46Å
660	F	90.7	Very high	88.5	Confident	134 Å²	134	111.8 Å²	111.8	59%	0.588	53%	0.526	S	S	*	.	H	α-helix	trans	-62.6	-40.5	174.7	-178.6	-101.6	0	0	0	112.7	A656 R657 M663 K664	A656-F660 WeakPolarHBondContact O-CB 3.39Å; A656-F660 PolarHBondContact O-N 2.8Å; R657-F660 PolarHBondContact O-N 3.32Å; F660-M663 HydrophobicContact CD2-CE 4.45Å; F660-M663 PolarHBondContact O-N 2.71Å; F660-K664 WeakPolarHBondContact O-CB 3.32Å; F660-K664 PolarHBondContact O-N 2.69Å
661	A	90.3	Very high	87.9	Confident	56 Å²	56	105.5 Å²	105.5	46%	0.463	51%	0.514	S	S	.	.	H	α-helix	trans	-63.2	-45.2	175.3	0	0	0	0	0	112	R657 L658 K664 L665	R657-A661 WeakPolarHBondContact O-CB 3.46Å; R657-A661 PolarHBondContact O-N 2.82Å; L658-A661 PolarHBondContact O-N 3.5Å; A661-K664 PolarHBondContact O-N 2.81Å; A661-L665 PolarHBondContact O-N 2.7Å
662	R	88.5	Confident	87.2	Confident	144 Å²	144	105.9 Å²	105.9	54%	0.543	51%	0.513	S	S	.	.	H	α-helix	trans	-58.5	-48	172.7	-72.1	176.5	177.2	168.9	-1.7	111.6	L658 R659 K664 L665 M666	L658-R662 WeakPolarHBondContact O-CG 3.46Å; L658-R662 PolarHBondContact O-N 2.78Å; R659-R662 PolarHBondContact O-N 3.43Å; R662-K664 VanDerWaalsContact C-N 3.34Å; R662-K664 PolarHBondContact O-N 2.7Å; R662-L665 PolarHBondContact O-N 3.03Å; R662-M666 WeakPolarHBondContact O-CG 3.49Å; R662-M666 PolarHBondContact O-N 2.96Å
663	M	86.3	Confident	86.3	Confident	93 Å²	93	102.9 Å²	102.9	46%	0.458	51%	0.507	S	S	.	.	H	α-helix	trans	-62.8	-37.7	177.3	-70	-174.1	-54.1	0	0	112.6	R659 F660 M666 A667	R659-M663 HydrophobicContact CG-CE 4.26Å; R659-M663 HydrophobicContact CG-SD 4.4Å; R659-M663 WeakPolarHBondContact O-CB 3.24Å; R659-M663 VanDerWaalsContact O-CG 3.3Å; R659-M663 WeakPolarHBondContact O-CG 3.41Å; R659-M663 PolarHBondContact O-N 3.46Å; F660-M663 HydrophobicContact CD2-CE 4.45Å; F660-M663 PolarHBondContact O-N 2.71Å; M663-M666 PolarHBondContact O-N 2.96Å; M663-A667 VanDerWaalsContact O-CB 3.23Å; M663-A667 WeakPolarHBondContact O-CB 3.49Å; M663-A667 PolarHBondContact O-N 3.41Å
664	K	86.7	Confident	85.3	Confident	148 Å²	148	105 Å²	105	64%	0.643	52%	0.518	S	S	*	.	H	α-helix	trans	-66.5	-38.8	176	-172.5	179.9	178.6	-175.5	0	111.9	F660 A661 R662 H668	F660-K664 WeakPolarHBondContact O-CB 3.32Å; F660-K664 PolarHBondContact O-N 2.69Å; A661-K664 PolarHBondContact O-N 2.81Å; R662-K664 VanDerWaalsContact C-N 3.34Å; R662-K664 PolarHBondContact O-N 2.7Å; K664-H668 WeakPolarHBondContact O-CB 3.47Å; K664-H668 PolarHBondContact O-N 2.83Å; K664-H668 VanDerWaalsContact O-N 3.08Å
665	L	87.9	Confident	84.3	Confident	103 Å²	103	101.1 Å²	101.1	54%	0.539	51%	0.514	S	S	.	.	H	α-helix	trans	-63	-53.7	173.2	-169.2	79.5	0	0	0	110.6	A661 R662 A667 H668 E669	A661-L665 PolarHBondContact O-N 2.7Å; R662-L665 PolarHBondContact O-N 3.03Å; L665-A667 VanDerWaalsContact C-N 3.29Å; L665-A667 PolarHBondContact O-N 3.49Å; L665-H668 WeakPolarHBondContact O-CA 3.37Å; L665-H668 WeakPolarHBondContact O-CB 3.28Å; L665-H668 PolarHBondContact O-N 3.17Å; L665-E669 WeakPolarHBondContact O-CG 3.12Å; L665-E669 PolarHBondContact O-N 3.31Å
666	M	85.6	Confident	83.2	Confident	114 Å²	114	103.3 Å²	103.3	56%	0.562	52%	0.52	S	S	*	.	H	α-helix	trans	-59.6	-36.3	179.3	-70.3	171.1	168.9	0	0	112.9	R662 M663 K670	R662-M666 WeakPolarHBondContact O-CG 3.49Å; R662-M666 PolarHBondContact O-N 2.96Å; M663-M666 PolarHBondContact O-N 2.96Å; M666-K670 WeakPolarHBondContact O-CB 3.41Å; M666-K670 WeakPolarHBondContact O-CG 3.15Å; M666-K670 PolarHBondContact O-N 3.37Å
667	A	83.1	Confident	81.6	Confident	60 Å²	60	106.6 Å²	106.6	50%	0.496	52%	0.524	S	S	.	.	H	α-helix	trans	-67.9	-39.5	174.6	0	0	0	0	0	112.1	M663 L665 A671	M663-A667 VanDerWaalsContact O-CB 3.23Å; M663-A667 WeakPolarHBondContact O-CB 3.49Å; M663-A667 PolarHBondContact O-N 3.41Å; L665-A667 VanDerWaalsContact C-N 3.29Å; L665-A667 PolarHBondContact O-N 3.49Å; A667-A671 VanDerWaalsContact O-CB 3.28Å; A667-A671 WeakPolarHBondContact O-CB 3.43Å; A667-A671 PolarHBondContact O-N 2.95Å
668	H	81.9	Confident	80.2	Confident	123 Å²	123	102.2 Å²	102.2	57%	0.569	52%	0.517	S	S	*	.	H	α-helix	trans	-66.6	-42.3	174.1	-178.4	-85.8	0	0	0	111.7	K664 L665 A671 L672	K664-H668 WeakPolarHBondContact O-CB 3.47Å; K664-H668 PolarHBondContact O-N 2.83Å; K664-H668 VanDerWaalsContact O-N 3.08Å; L665-H668 WeakPolarHBondContact O-CA 3.37Å; L665-H668 WeakPolarHBondContact O-CB 3.28Å; L665-H668 PolarHBondContact O-N 3.17Å; H668-A671 PolarHBondContact O-N 3.02Å; H668-L672 WeakPolarHBondContact O-CB 3.38Å; H668-L672 PolarHBondContact O-N 2.68Å
669	E	81.3	Confident	78.8	Confident	96 Å²	96	106.9 Å²	106.9	45%	0.449	54%	0.535	S	S	.	.	H	α-helix	trans	-63.5	-46.6	175.3	-71.4	171.1	159.3	0	0	111.8	L665 A671 L672 Q673	L665-E669 WeakPolarHBondContact O-CG 3.12Å; L665-E669 PolarHBondContact O-N 3.31Å; E669-A671 VanDerWaalsContact C-N 3.35Å; E669-A671 PolarHBondContact O-N 3.07Å; E669-L672 PolarHBondContact O-N 2.91Å; E669-Q673 WeakPolarHBondContact O-CB 3.33Å; E669-Q673 WeakPolarHBondContact O-CG 3.31Å; E669-Q673 PolarHBondContact O-N 3.41Å
670	K	76.2	Confident	77.6	Confident	151 Å²	151	103.9 Å²	103.9	66%	0.657	53%	0.53	S	S	*	.	H	α-helix	trans	-62.7	-38.1	174.4	-77.7	-168.5	173.4	-167.8	0	112.5	M666 L672 Q673 S674	M666-K670 WeakPolarHBondContact O-CB 3.41Å; M666-K670 WeakPolarHBondContact O-CG 3.15Å; M666-K670 PolarHBondContact O-N 3.37Å; K670-L672 VanDerWaalsContact C-N 3.34Å; K670-Q673 PolarHBondContact O-N 3.46Å; K670-S674 WeakPolarHBondContact O-CB 3.17Å; K670-S674 PolarHBondContact O-N 3.25Å; K670-S674 PolarHBondContact O-OG 2.81Å; K670-S674 VanDerWaalsContact O-OG 3.11Å
671	A	78	Confident	75.9	Confident	56 Å²	56	101.9 Å²	101.9	46%	0.463	53%	0.525	S	S	.	.	H	α-helix	trans	-65.4	-36.1	173.7	0	0	0	0	0	112.5	A667 H668 E669 S674 A675	A667-A671 VanDerWaalsContact O-CB 3.28Å; A667-A671 WeakPolarHBondContact O-CB 3.43Å; A667-A671 PolarHBondContact O-N 2.95Å; H668-A671 PolarHBondContact O-N 3.02Å; E669-A671 VanDerWaalsContact C-N 3.35Å; E669-A671 PolarHBondContact O-N 3.07Å; A671-S674 PolarHBondContact O-OG 3.34Å; A671-A675 VanDerWaalsContact O-CB 3.26Å; A671-A675 WeakPolarHBondContact O-CB 3.18Å; A671-A675 PolarHBondContact O-N 3.38Å
672	L	78.7	Confident	74.5	Confident	84 Å²	84	103.7 Å²	103.7	44%	0.44	53%	0.527	S	S	.	.	H	α-helix	trans	-76.9	-33.3	177.9	-160.4	149.8	0	0	0	111.8	H668 E669 K670 K676	H668-L672 WeakPolarHBondContact O-CB 3.38Å; H668-L672 PolarHBondContact O-N 2.68Å; E669-L672 PolarHBondContact O-N 2.91Å; K670-L672 VanDerWaalsContact C-N 3.34Å; L672-K676 HydrophobicContact CD2-CD 4.28Å; L672-K676 WeakPolarHBondContact O-CG 3.32Å; L672-K676 PolarHBondContact O-N 3.01Å; L672-K676 VanDerWaalsContact O-N 3.07Å
673	Q	72.9	Confident	73	Confident	116 Å²	116	99.4 Å²	99.4	54%	0.542	52%	0.522	S	S	.	.	H	α-helix	trans	-66.7	-46.8	169.6	-76.5	179.5	-14.2	0	0	111.8	E669 K670 A675 K676 Q677	E669-Q673 WeakPolarHBondContact O-CB 3.33Å; E669-Q673 WeakPolarHBondContact O-CG 3.31Å; E669-Q673 PolarHBondContact O-N 3.41Å; K670-Q673 PolarHBondContact O-N 3.46Å; Q673-A675 VanDerWaalsContact C-N 3.31Å; Q673-A675 PolarHBondContact O-N 3.19Å; Q673-K676 CarbonylContact O-C 3.58Å; Q673-K676 WeakPolarHBondContact O-CA 3.34Å; Q673-K676 WeakPolarHBondContact O-CB 3.18Å; Q673-K676 PolarHBondContact O-N 3.24Å; Q673-Q677 WeakPolarHBondContact O-CG 3.18Å; Q673-Q677 PolarHBondContact O-N 3.05Å
674	S	72.2	Confident	71.2	Confident	64 Å²	64	101 Å²	101	45%	0.448	53%	0.527	S	S	.	.	H	α-helix	trans	-67.6	-32	177.6	65	0	0	0	0	112.1	K670 A671 K676 Q677 S678	K670-S674 WeakPolarHBondContact O-CB 3.17Å; K670-S674 PolarHBondContact O-N 3.25Å; K670-S674 PolarHBondContact O-OG 2.81Å; K670-S674 VanDerWaalsContact O-OG 3.11Å; A671-S674 PolarHBondContact O-OG 3.34Å; S674-K676 VanDerWaalsContact C-N 3.35Å; S674-Q677 PolarHBondContact O-N 3.39Å; S674-S678 VanDerWaalsContact O-CB 3.24Å; S674-S678 WeakPolarHBondContact O-CB 3.46Å; S674-S678 PolarHBondContact O-N 3.38Å
675	A	71.4	Confident	69.5	Low	53 Å²	53	101.4 Å²	101.4	44%	0.438	52%	0.524	S	S	.	.	H	α-helix	trans	-65.1	-33.6	168.7	0	0	0	0	0	113.3	A671 Q673 K679	A671-A675 VanDerWaalsContact O-CB 3.26Å; A671-A675 WeakPolarHBondContact O-CB 3.18Å; A671-A675 PolarHBondContact O-N 3.38Å; Q673-A675 VanDerWaalsContact C-N 3.31Å; Q673-A675 PolarHBondContact O-N 3.19Å; A675-K679 WeakPolarHBondContact O-CG 3.32Å; A675-K679 PolarHBondContact O-N 2.87Å
676	K	68.4	Low	67.8	Low	131 Å²	131	100.6 Å²	100.6	57%	0.57	53%	0.532	S	S	*	.	H	α-helix	trans	-71.5	-47.9	170.9	-76.2	176	175.4	-178.3	0	111.7	L672 Q673 S674 S678 K679 I680	L672-K676 HydrophobicContact CD2-CD 4.28Å; L672-K676 WeakPolarHBondContact O-CG 3.32Å; L672-K676 PolarHBondContact O-N 3.01Å; L672-K676 VanDerWaalsContact O-N 3.07Å; Q673-K676 CarbonylContact O-C 3.58Å; Q673-K676 WeakPolarHBondContact O-CA 3.34Å; Q673-K676 WeakPolarHBondContact O-CB 3.18Å; Q673-K676 PolarHBondContact O-N 3.24Å; S674-K676 VanDerWaalsContact C-N 3.35Å; K676-S678 VanDerWaalsContact C-N 3.33Å; K676-S678 PolarHBondContact O-N 2.9Å; K676-K679 WeakPolarHBondContact O-CB 3.38Å; K676-K679 PolarHBondContact O-N 2.89Å; K676-K679 VanDerWaalsContact O-N 3.16Å; K676-I680 WeakPolarHBondContact O-CG1 3.38Å; K676-I680 PolarHBondContact O-N 3.48Å
677	Q	59.6	Low	65.9	Low	129 Å²	129	102 Å²	102	60%	0.603	54%	0.539	S	S	*	.	H	α-helix	trans	-61.8	-38.5	178.7	-74.5	175.3	-33.2	0	0	112	Q673 S674 K679 I680 L681	Q673-Q677 WeakPolarHBondContact O-CG 3.18Å; Q673-Q677 PolarHBondContact O-N 3.05Å; S674-Q677 PolarHBondContact O-N 3.39Å; Q677-K679 PolarHBondContact O-N 3.37Å; Q677-I680 PolarHBondContact O-N 3.46Å; Q677-L681 VanDerWaalsContact O-CB 3.24Å; Q677-L681 WeakPolarHBondContact O-CB 3.14Å; Q677-L681 PolarHBondContact O-N 3.29Å
678	S	62.7	Low	63.9	Low	61 Å²	61	103 Å²	103	43%	0.427	54%	0.539	S	S	.	.	H	α-helix	trans	-61.3	-41.4	174	-179	0	0	0	0	112.1	S674 K676 N682	S674-S678 VanDerWaalsContact O-CB 3.24Å; S674-S678 WeakPolarHBondContact O-CB 3.46Å; S674-S678 PolarHBondContact O-N 3.38Å; K676-S678 VanDerWaalsContact C-N 3.33Å; K676-S678 PolarHBondContact O-N 2.9Å; S678-N682 WeakPolarHBondContact O-CB 3.29Å; S678-N682 PolarHBondContact O-N 3.47Å; S678-N682 PolarHBondContact O-ND2 3.03Å
679	K	63.8	Low	61.7	Low	164 Å²	164	104.7 Å²	104.7	71%	0.713	55%	0.552	S	S	*	*	H	α-helix	trans	-64	-41.3	173.1	-71.6	179.5	178.1	-173	0	112.5	A675 K676 Q677 A683	A675-K679 WeakPolarHBondContact O-CG 3.32Å; A675-K679 PolarHBondContact O-N 2.87Å; K676-K679 WeakPolarHBondContact O-CB 3.38Å; K676-K679 PolarHBondContact O-N 2.89Å; K676-K679 VanDerWaalsContact O-N 3.16Å; Q677-K679 PolarHBondContact O-N 3.37Å; K679-A683 PolarHBondContact O-N 2.93Å; K679-A683 VanDerWaalsContact O-N 3.13Å
680	I	63.5	Low	59.4	Low	101 Å²	101	103.6 Å²	103.6	52%	0.518	56%	0.56	S	S	.	*	H	α-helix	trans	-69	-42.8	178.2	-65.8	165.7	0	0	0	111.1	K676 Q677 N682 A683 F684	K676-I680 WeakPolarHBondContact O-CG1 3.38Å; K676-I680 PolarHBondContact O-N 3.48Å; Q677-I680 PolarHBondContact O-N 3.46Å; I680-N682 PolarHBondContact O-N 2.84Å; I680-A683 WeakPolarHBondContact O-CB 3.42Å; I680-A683 PolarHBondContact O-N 3.26Å; I680-A683 VanDerWaalsContact O-N 3.16Å; I680-F684 HydrophobicContact CG2-CD2 4.2Å; I680-F684 PolarHBondContact O-N 2.8Å
681	L	55.1	Low	57.2	Low	93 Å²	93	102.3 Å²	102.3	49%	0.487	57%	0.57	S	S	.	*	H	α-helix	trans	-65.9	-37.5	178.7	-177.2	63.2	0	0	0	111.9	Q677 A683 F684 R685	Q677-L681 VanDerWaalsContact O-CB 3.24Å; Q677-L681 WeakPolarHBondContact O-CB 3.14Å; Q677-L681 PolarHBondContact O-N 3.29Å; L681-A683 VanDerWaalsContact C-N 3.33Å; L681-F684 PolarHBondContact O-N 3.11Å; L681-R685 WeakPolarHBondContact O-CB 3.24Å; L681-R685 WeakPolarHBondContact O-CG 3.29Å; L681-R685 PolarHBondContact O-N 2.8Å
682	N	59.8	Low	54.9	Low	94 Å²	94	108.3 Å²	108.3	50%	0.503	59%	0.588	S	S	.	*	H	α-helix	trans	-68.9	-31.5	173.4	-68.8	-16.4	0	0	0	112.2	S678 I680	S678-N682 WeakPolarHBondContact O-CB 3.29Å; S678-N682 PolarHBondContact O-N 3.47Å; S678-N682 PolarHBondContact O-ND2 3.03Å; I680-N682 PolarHBondContact O-N 2.84Å
683	A	57.4	Low	52.5	Low	53 Å²	53	109.8 Å²	109.8	44%	0.438	60%	0.604	S	S	.	*	H	α-helix	trans	-71.5	-40	171.2	0	0	0	0	0	112.2	K679 I680 L681 A686	K679-A683 PolarHBondContact O-N 2.93Å; K679-A683 VanDerWaalsContact O-N 3.13Å; I680-A683 WeakPolarHBondContact O-CB 3.42Å; I680-A683 PolarHBondContact O-N 3.26Å; I680-A683 VanDerWaalsContact O-N 3.16Å; L681-A683 VanDerWaalsContact C-N 3.33Å; A683-A686 PolarHBondContact O-N 3.23Å
684	F	49.4	Very low	50.4	Low	127 Å²	127	111.3 Å²	111.3	56%	0.557	62%	0.616	S	S	*	*	H	α-helix	trans	-65.9	-42.4	176.2	-110.2	-87.2	0	0	0	112.5	I680 L681 A686 M687 T688	I680-F684 HydrophobicContact CG2-CD2 4.2Å; I680-F684 PolarHBondContact O-N 2.8Å; L681-F684 PolarHBondContact O-N 3.11Å; F684-A686 PolarHBondContact O-N 2.94Å; F684-M687 WeakPolarHBondContact O-CA 3.45Å; F684-M687 PolarHBondContact O-N 2.9Å; F684-T688 HydrophobicContact CD1-CG2 4.33Å; F684-T688 PolarHBondContact O-N 3.07Å; F684-T688 VanDerWaalsContact O-N 3.11Å; F684-T688 PolarHBondContact O-OG1 3.26Å
685	R	50.8	Low	48.2	Very low	157 Å²	157	117.3 Å²	117.3	59%	0.592	64%	0.637	S	S	*	*	H	α-helix	trans	-58.8	-30.3	175.6	-79.6	178.3	171.3	-176.1	-4.1	113.1	L681 M687	L681-R685 WeakPolarHBondContact O-CB 3.24Å; L681-R685 WeakPolarHBondContact O-CG 3.29Å; L681-R685 PolarHBondContact O-N 2.8Å; R685-M687 PolarHBondContact O-N 3.14Å
686	A	52.2	Low	46.3	Very low	86 Å²	86	121.4 Å²	121.4	71%	0.711	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-5.5	174.1	0	0	0	0	0	114.2	A683 F684	A683-A686 PolarHBondContact O-N 3.23Å; F684-A686 PolarHBondContact O-N 2.94Å
687	M	45.8	Very low	44.6	Very low	143 Å²	143	121.2 Å²	121.2	70%	0.704	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.3	-25.2	177.3	-63.4	-177.2	175.8	0	0	113.2	F684 R685	F684-M687 WeakPolarHBondContact O-CA 3.45Å; F684-M687 PolarHBondContact O-N 2.9Å; R685-M687 PolarHBondContact O-N 3.14Å
688	T	40.9	Very low	43.3	Very low	80 Å²	80	126.8 Å²	126.8	49%	0.491	68%	0.678	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.9	-3.8	-172.2	51.7	0	0	0	0	115.8	F684 A690	F684-T688 HydrophobicContact CD1-CG2 4.33Å; F684-T688 PolarHBondContact O-N 3.07Å; F684-T688 VanDerWaalsContact O-N 3.11Å; F684-T688 PolarHBondContact O-OG1 3.26Å; T688-A690 PolarHBondContact O-N 3.08Å
689	D	35.8	Very low	42.1	Very low	159 Å²	159	132.7 Å²	132.7	85%	0.85	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-1	173.9	-73.9	-15.1	0	0	0	113
690	A	33.5	Very low	40.7	Very low	74 Å²	74	132.7 Å²	132.7	61%	0.612	70%	0.697	S	S	*	*	S	Bend	trans	-105.8	113.3	174.6	0	0	0	0	0	112	T688	T688-A690 PolarHBondContact O-N 3.08Å
691	S	29.9	Very low	39.3	Very low	124 Å²	124	136.3 Å²	136.3	87%	0.867	72%	0.718	S	S	*	*			trans	64.7	97.8	166	-59.8	0	0	0	0	117.6
692	H	28.3	Very low	38.4	Very low	182 Å²	182	136.7 Å²	136.7	84%	0.843	73%	0.728	S	S	*	*			trans	-134.7	119.9	163.5	-137.7	-62.9	0	0	0	110.4
693	C	28.1	Very low	37.3	Very low	115 Å²	115	136.7 Å²	136.7	78%	0.777	73%	0.727	S	S	*	*			trans	-159.9	127.1	165.7	-100.5	0	0	0	0	111.1
694	N	29	Very low	36.7	Very low	148 Å²	148	139.9 Å²	139.9	79%	0.791	74%	0.74	S	S	*	*			trans	46	100.9	157.5	-56.5	-10.2	0	0	0	119.3
695	E	27.5	Very low	36.6	Very low	190 Å²	190	135.4 Å²	135.4	89%	0.888	73%	0.727	S	S	*	*				-172.1	103.8	107.7	-103.7	-172.9	134.1	0	0	111.9
696	E	30.3	Very low	36.7	Very low	139 Å²	139	132.7 Å²	132.7	65%	0.65	73%	0.727	S	S	*	*			trans	-170.7	97.6	143.5	-113.9	179.3	170.9	0	0	112.1	R699	E696-R699 WeakPolarHBondContact OE1-CD 3.47Å; E696-R699 IonicContact OE1-CZ 3.16Å; E696-R699 IonicContact OE1-NE 3.74Å; E696-R699 IonicContact OE1-NH1 3.73Å; E696-R699 PolarHBondContact OE1-NH1 3.45Å
697	S	32.5	Very low	37.1	Very low	126 Å²	126	128.9 Å²	128.9	88%	0.881	70%	0.695	S	S	*	*	S	Bend	trans	-154.4	36	172.4	-64.1	0	0	0	0	111.7
698	R	33.4	Very low	37.6	Very low	247 Å²	247	125.8 Å²	125.8	93%	0.932	68%	0.682	S	S	*	*	S	Bend	trans	-142.4	17.1	-172.6	-90.3	-173.2	170.9	172.8	-2.9	115
699	R	37.6	Very low	38.6	Very low	185 Å²	185	129.2 Å²	129.2	70%	0.698	69%	0.692	S	S	*	*			trans	-113.7	-2.4	-169.2	-97.3	178.7	165.3	166.5	-5.9	117.1	E696	E696-R699 WeakPolarHBondContact OE1-CD 3.47Å; E696-R699 IonicContact OE1-CZ 3.16Å; E696-R699 IonicContact OE1-NE 3.74Å; E696-R699 IonicContact OE1-NH1 3.73Å; E696-R699 PolarHBondContact OE1-NH1 3.45Å
700	L	33.9	Very low	40.1	Very low	163 Å²	163	122.3 Å²	122.3	85%	0.853	66%	0.655	S	S	*	*	S	Bend	trans	-91.1	-24.5	-166.8	-128.2	72.4	0	0	0	116.4	S702	L700-S702 PolarHBondContact O-N 2.78Å
701	D	33.4	Very low	41.7	Very low	178 Å²	178	124.1 Å²	124.1	95%	0.952	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	20.7	-167.6	-72.1	-33.7	0	0	0	115.5
702	S	36.8	Very low	43.5	Very low	101 Å²	101	120.7 Å²	120.7	71%	0.706	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.3	14.7	-173.5	63.2	0	0	0	0	116.1	L700	L700-S702 PolarHBondContact O-N 2.78Å
703	M	37.8	Very low	45.7	Very low	94 Å²	94	113.5 Å²	113.5	46%	0.463	60%	0.601	S	S	.	*			trans	-119.1	46.4	-166.8	-60.8	-166.3	78.7	0	0	116.1	R774 P847	M703-R774 PolarHBondContact O-NH1 3.2Å; M703-P847 HydrophobicContact CE-CG 3.84Å; M703-P847 HydrophobicContact SD-CG 4.08Å
704	V	44.4	Very low	47.7	Very low	119 Å²	119	115.9 Å²	115.9	72%	0.721	60%	0.599	S	S	*	*			trans	-125.4	119.9	164.1	-176.7	0	0	0	0	109.4
705	A	47.8	Very low	49.7	Very low	34 Å²	34	111.6 Å²	111.6	28%	0.281	58%	0.583	S	S	.	*			trans	-93.6	135.5	172.1	0	0	0	0	0	109.3	V707 R774	A705-V707 HydrophobicContact CB-CG2 4.33Å; A705-R774 HydrophobicContact CB-CB 4.37Å
706	V	52	Low	51.8	Low	99 Å²	99	102.6 Å²	102.6	60%	0.6	54%	0.541	S	S	*	.			trans	-89.6	109.4	177.3	179.5	0	0	0	0	108.5	D708 H709	V706-D708 HydrophobicContact CG1-CB 4.47Å; V706-H709 PolarHBondContact O-CE1 3.36Å; V706-H709 PolarHBondContact O-ND1 3.38Å
707	V	61.3	Low	53.6	Low	6 Å²	6	98 Å²	98	4%	0.036	52%	0.524	C	S	.	.			trans	-103.1	-6.4	-166.5	-176.8	0	0	0	0	113	A705 H709 I710 L801 R802 N805	A705-V707 HydrophobicContact CB-CG2 4.33Å; V707-H709 PolarHBondContact O-N 2.95Å; V707-I710 HydrophobicContact CG1-CD1 3.61Å; V707-I710 HydrophobicContact CG1-CG1 4.03Å; V707-I710 PolarHBondContact O-N 2.82Å; V707-L801 HydrophobicContact CG1-CB 4.3Å; V707-R802 HydrophobicContact CG1-CB 4.29Å; V707-N805 HydrophobicContact CB-CB 4.17Å; V707-N805 HydrophobicContact CG2-CB 3.61Å
708	D	56.2	Low	55.3	Low	79 Å²	79	97.1 Å²	97.1	42%	0.422	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-25.7	-174	-44.3	13.6	0	0	0	113.9	V706 R802	V706-D708 HydrophobicContact CG1-CB 4.47Å; D708-R802 PolarHBondContact O-NH1 3.12Å; D708-R802 PolarHBondContact O-NH2 2.67Å
709	H	61.4	Low	56.9	Low	152 Å²	152	86 Å²	86	70%	0.704	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-3.2	-176.2	69	-89.3	0	0	0	114.8	V706 V707 P711	V706-H709 PolarHBondContact O-CE1 3.36Å; V706-H709 PolarHBondContact O-ND1 3.38Å; V707-H709 PolarHBondContact O-N 2.95Å; H709-P711 WeakPolarHBondContact O-CD 3.47Å
710	I	67.3	Low	58.3	Low	14 Å²	14	78.6 Å²	78.6	7%	0.072	44%	0.439	C	S	.	.	S	Bend	trans	-72.8	119.6	174.2	-65.7	-169.9	0	0	0	110	V707 P776 K798 L801 R802	V707-I710 HydrophobicContact CG1-CD1 3.61Å; V707-I710 HydrophobicContact CG1-CG1 4.03Å; V707-I710 PolarHBondContact O-N 2.82Å; I710-P776 HydrophobicContact CD1-CG 4.01Å; I710-K798 HydrophobicContact CG2-CB 3.8Å; I710-K798 HydrophobicContact CG2-CG 4.26Å; I710-L801 HydrophobicContact CD1-CB 4.35Å; I710-L801 HydrophobicContact CD1-CD1 4.24Å; I710-R802 PolarHBondContact O-NH1 3.44Å
711	P	65.8	Low	59.6	Low	112 Å²	112	80.6 Å²	80.6	73%	0.727	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-70.5	138.4	-176.8	28.4	-34.8	0	0	0	112.5	H709	H709-P711 WeakPolarHBondContact O-CD 3.47Å
712	L	69.7	Low	60.7	Low	51 Å²	51	78.4 Å²	78.4	27%	0.267	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-83.4	147.9	176.5	-70.5	164.3	0	0	0	111.5	L716 I720 L799 L817	L712-L716 HydrophobicContact CD2-CD2 4Å; L712-I720 HydrophobicContact CD1-CD1 4.04Å; L712-L799 HydrophobicContact CD2-CD2 4.03Å; L712-L817 HydrophobicContact CD2-CD1 4.44Å
713	P	74.4	Confident	61.3	Low	32 Å²	32	76 Å²	76	21%	0.208	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-59.1	142.1	168.8	-22.9	33.8	0	0	0	111.7	A715 L716 S717 M795 L799 F820	P713-A715 PolarHBondContact O-N 2.88Å; P713-L716 PolarHBondContact O-N 3.44Å; P713-S717 PolarHBondContact O-N 2.85Å; P713-M795 HydrophobicContact CB-SD 4.37Å; P713-M795 HydrophobicContact CG-CG 4.1Å; P713-M795 HydrophobicContact CG-SD 3.62Å; P713-L799 HydrophobicContact CG-CD1 4.5Å; P713-L799 HydrophobicContact CG-CD2 4.34Å; P713-F820 HydrophobicContact CB-CZ 4.38Å; P713-F820 HydrophobicContact CG-CE1 4.3Å
714	K	69.8	Low	61.4	Low	165 Å²	165	77.1 Å²	77.1	72%	0.717	42%	0.422	S	S	*	.	H	α-helix	trans	-50.1	-52.7	-173.1	-77.8	-168.2	173.2	-172.2	0	113.9	L716 S717 E718	K714-L716 PolarHBondContact O-N 3.06Å; K714-S717 WeakPolarHBondContact CA-OG 3.49Å; K714-S717 PolarHBondContact O-N 2.92Å; K714-S717 PolarHBondContact O-OG 3.12Å; K714-E718 WeakPolarHBondContact O-CG 3.36Å; K714-E718 PolarHBondContact O-N 3.29Å
715	A	69.8	Low	61.2	Low	57 Å²	57	74.3 Å²	74.3	47%	0.471	42%	0.417	S	S	.	.	H	α-helix	trans	-55.8	-37.7	-179.6	0	0	0	0	0	113	P713 L719	P713-A715 PolarHBondContact O-N 2.88Å; A715-L719 WeakPolarHBondContact O-CD1 3.39Å; A715-L719 WeakPolarHBondContact O-CG 3.37Å; A715-L719 PolarHBondContact O-N 2.87Å
716	L	71.9	Confident	60.8	Low	1 Å²	1	79 Å²	79	1%	0.005	44%	0.442	C	S	.	.	H	α-helix	trans	-75.4	-35.4	176.8	-175.9	57	0	0	0	112.1	L712 P713 K714 E718 I720 L799 L817 F820	L712-L716 HydrophobicContact CD2-CD2 4Å; P713-L716 PolarHBondContact O-N 3.44Å; K714-L716 PolarHBondContact O-N 3.06Å; L716-E718 VanDerWaalsContact C-N 3.34Å; L716-I720 HydrophobicContact CD1-CD1 4.06Å; L716-I720 HydrophobicContact CD1-CG1 4.35Å; L716-I720 HydrophobicContact CG-CD1 3.96Å; L716-I720 WeakPolarHBondContact O-CB 3.48Å; L716-I720 VanDerWaalsContact O-CG1 3.31Å; L716-I720 WeakPolarHBondContact O-CG1 3.35Å; L716-I720 PolarHBondContact O-N 3.03Å; L716-L799 HydrophobicContact CD2-CD2 4.14Å; L716-L817 HydrophobicContact CD2-CD1 3.76Å; L716-F820 HydrophobicContact CB-CD2 4.13Å; L716-F820 HydrophobicContact CB-CE2 4.21Å; L716-F820 HydrophobicContact CB-CG 4.42Å; L716-F820 HydrophobicContact CD1-CB 4.05Å; L716-F820 HydrophobicContact CD1-CD2 4.25Å; L716-F820 HydrophobicContact CD1-CG 4.24Å; L716-F820 HydrophobicContact CD2-CB 4.09Å; L716-F820 HydrophobicContact CD2-CD1 4.03Å; L716-F820 HydrophobicContact CD2-CD2 4.46Å; L716-F820 HydrophobicContact CD2-CG 3.93Å; L716-F820 HydrophobicContact CG-CG 4.44Å
717	S	68.3	Low	60.4	Low	42 Å²	42	77.7 Å²	77.7	29%	0.294	43%	0.431	S	S	.	.	H	α-helix	trans	-67.9	-32	174.5	68.1	0	0	0	0	113.3	P713 K714 Y721	P713-S717 PolarHBondContact O-N 2.85Å; K714-S717 WeakPolarHBondContact CA-OG 3.49Å; K714-S717 PolarHBondContact O-N 2.92Å; K714-S717 PolarHBondContact O-OG 3.12Å; S717-Y721 PolarHBondContact O-N 3.05Å
718	E	68.6	Low	59.2	Low	108 Å²	108	81 Å²	81	51%	0.505	45%	0.452	S	S	.	.	H	α-helix	trans	-72	-45.2	175.7	-72.6	164.4	-162.9	0	0	110.8	K714 L716 I720 Y721 Q722	K714-E718 WeakPolarHBondContact O-CG 3.36Å; K714-E718 PolarHBondContact O-N 3.29Å; L716-E718 VanDerWaalsContact C-N 3.34Å; E718-I720 PolarHBondContact O-N 3.36Å; E718-Y721 PolarHBondContact O-N 2.8Å; E718-Q722 WeakPolarHBondContact O-CG 3.34Å; E718-Q722 PolarHBondContact O-N 3Å
719	L	67.7	Low	58.3	Low	13 Å²	13	86.2 Å²	86.2	7%	0.068	47%	0.474	C	S	.	.	H	α-helix	trans	-57	-48	173.5	-78.1	164.5	0	0	0	112.6	A715 Y721 Q722 S723 P996 E998 L999	A715-L719 WeakPolarHBondContact O-CD1 3.39Å; A715-L719 WeakPolarHBondContact O-CG 3.37Å; A715-L719 PolarHBondContact O-N 2.87Å; L719-Y721 PolarHBondContact O-N 2.76Å; L719-Q722 PolarHBondContact O-N 2.87Å; L719-S723 WeakPolarHBondContact O-CB 3.33Å; L719-S723 PolarHBondContact O-N 3.38Å; L719-S723 PolarHBondContact O-OG 3.35Å; L719-P996 HydrophobicContact CD2-CB 3.94Å; L719-P996 HydrophobicContact CD2-CG 4.16Å; L719-E998 HydrophobicContact CD2-CB 4.35Å; L719-L999 HydrophobicContact CD1-CD1 3.93Å; L719-L999 HydrophobicContact CD1-CD2 4.36Å; L719-L999 HydrophobicContact CD1-CG 3.96Å
720	I	66.8	Low	57.1	Low	30 Å²	30	87.2 Å²	87.2	15%	0.154	48%	0.479	C	S	.	.	H	α-helix	trans	-62.4	-27.2	-180	-74.7	168.6	0	0	0	112.6	L712 L716 E718 Q813 L816	L712-I720 HydrophobicContact CD1-CD1 4.04Å; L716-I720 HydrophobicContact CD1-CD1 4.06Å; L716-I720 HydrophobicContact CD1-CG1 4.35Å; L716-I720 HydrophobicContact CG-CD1 3.96Å; L716-I720 WeakPolarHBondContact O-CB 3.48Å; L716-I720 VanDerWaalsContact O-CG1 3.31Å; L716-I720 WeakPolarHBondContact O-CG1 3.35Å; L716-I720 PolarHBondContact O-N 3.03Å; E718-I720 PolarHBondContact O-N 3.36Å; I720-Q813 HydrophobicContact CG2-CG 4.12Å; I720-L816 HydrophobicContact CG1-CD1 4.45Å
721	Y	60.8	Low	55.7	Low	205 Å²	205	92.8 Å²	92.8	80%	0.804	50%	0.5	S	S	*	.	H	α-helix	trans	-82.2	-22.6	175.3	-105.7	-79.8	0	0	0	113.9	S717 E718 L719	S717-Y721 PolarHBondContact O-N 3.05Å; E718-Y721 PolarHBondContact O-N 2.8Å; L719-Y721 PolarHBondContact O-N 2.76Å
722	Q	55.9	Low	54.3	Low	132 Å²	132	89.4 Å²	89.4	62%	0.617	48%	0.477	S	S	*	.	H	α-helix	trans	-91.5	-27.7	177.7	-65.6	-179.7	33.3	0	0	112.4	E718 L719 S724	E718-Q722 WeakPolarHBondContact O-CG 3.34Å; E718-Q722 PolarHBondContact O-N 3Å; L719-Q722 PolarHBondContact O-N 2.87Å; Q722-S724 PolarHBondContact O-N 3Å
723	S	50.2	Low	52.8	Low	50 Å²	50	90.1 Å²	90.1	35%	0.35	48%	0.484	S	S	.	.			trans	-77.9	59.2	-178.6	68.9	0	0	0	0	113.4	L719 L816	L719-S723 WeakPolarHBondContact O-CB 3.33Å; L719-S723 PolarHBondContact O-N 3.38Å; L719-S723 PolarHBondContact O-OG 3.35Å; S723-L816 WeakPolarHBondContact OG-CD1 3.33Å
724	S	38.6	Very low	51.2	Low	119 Å²	119	95.3 Å²	95.3	83%	0.832	50%	0.499	S	S	*	.			trans	-103.9	16	171	79.5	0	0	0	0	113.3	Q722	Q722-S724 PolarHBondContact O-N 3Å
725	G	40.2	Very low	49.7	Very low	60 Å²	60	92.8 Å²	92.8	62%	0.619	49%	0.493	S	S	*	.	S	Bend	trans	-106.2	130.3	178.6	0	0	0	0	0	111.7	I727	G725-I727 PolarHBondContact O-N 3.11Å
726	T	40.8	Very low	48	Very low	131 Å²	131	97.4 Å²	97.4	80%	0.804	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-58.4	123.4	174	43.7	0	0	0	0	111.4	P728	T726-P728 WeakPolarHBondContact O-CD 3.38Å
727	I	42.2	Very low	46.4	Very low	72 Å²	72	105.1 Å²	105.1	37%	0.369	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-59.6	119.4	164.7	-55.2	174.5	0	0	0	107.2	G725 E729 M815 V914	G725-I727 PolarHBondContact O-N 3.11Å; I727-E729 PolarHBondContact O-N 3.16Å; I727-M815 HydrophobicContact CD1-CE 3.5Å; I727-V914 HydrophobicContact CD1-CG1 4.29Å; I727-V914 HydrophobicContact CD1-CG2 3.91Å
728	P	37.7	Very low	44.9	Very low	75 Å²	75	106.3 Å²	106.3	49%	0.487	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-60.6	129.8	-170.3	-25.1	34.2	0	0	0	112.6	T726 E730 Y731	T726-P728 WeakPolarHBondContact O-CD 3.38Å; P728-E730 PolarHBondContact O-N 3.39Å; P728-Y731 HydrophobicContact CB-CD2 4.02Å; P728-Y731 HydrophobicContact CB-CE2 3.9Å; P728-Y731 HydrophobicContact CG-CE2 4.2Å
729	E	36.9	Very low	43.7	Very low	190 Å²	190	106.3 Å²	106.3	89%	0.888	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-68.6	-8.7	-172.1	-61.3	-165.7	112.5	0	0	114.2	I727	I727-E729 PolarHBondContact O-N 3.16Å
730	E	36.4	Very low	42.3	Very low	173 Å²	173	111.5 Å²	111.5	81%	0.808	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-81.8	-15.5	-171.5	-58.4	-168.1	123	0	0	114.8	P728 V732	P728-E730 PolarHBondContact O-N 3.39Å; E730-V732 VanDerWaalsContact C-N 3.33Å; E730-V732 PolarHBondContact O-N 2.94Å
731	Y	36.7	Very low	41.5	Very low	130 Å²	130	113 Å²	113	51%	0.51	61%	0.611	S	S	.	*	G	3₁₀ helix	trans	-82.6	2	-172.7	-68.5	-71.1	0	0	0	115.8	P728 M1192	P728-Y731 HydrophobicContact CB-CD2 4.02Å; P728-Y731 HydrophobicContact CB-CE2 3.9Å; P728-Y731 HydrophobicContact CG-CE2 4.2Å; Y731-M1192 HydrophobicContact CD1-CB 4.17Å; Y731-M1192 HydrophobicContact CE1-CB 4.14Å
732	V	35.9	Very low	40.9	Very low	41 Å²	41	111.1 Å²	111.1	25%	0.248	60%	0.602	C	S	.	*			trans	-129.7	106.5	172.4	-169.2	0	0	0	0	111.3	E730 R734 L915	E730-V732 VanDerWaalsContact C-N 3.33Å; E730-V732 PolarHBondContact O-N 2.94Å; V732-R734 VanDerWaalsContact C-N 3.25Å; V732-R734 HydrophobicContact CB-CG 4.21Å; V732-R734 HydrophobicContact CG1-CG 3.56Å; V732-R734 PolarHBondContact O-N 3.35Å; V732-L915 HydrophobicContact CG1-CD1 3.75Å; V732-L915 HydrophobicContact CG2-CD1 4.5Å
733	V	38.3	Very low	40.6	Very low	66 Å²	66	110.7 Å²	110.7	40%	0.4	60%	0.604	S	S	.	*			trans	-70.7	83.5	167.9	-177.5	0	0	0	0	109.5	D735	V733-D735 PolarHBondContact O-N 3.24Å
734	R	40.8	Very low	40.9	Very low	142 Å²	142	114.7 Å²	114.7	54%	0.536	62%	0.618	S	S	.	*			trans	-79.6	103.5	170.8	-61.6	-175.5	-179.7	-154.9	-9.8	108.8	V732	V732-R734 VanDerWaalsContact C-N 3.25Å; V732-R734 HydrophobicContact CB-CG 4.21Å; V732-R734 HydrophobicContact CG1-CG 3.56Å; V732-R734 PolarHBondContact O-N 3.35Å
735	D	38.1	Very low	41.8	Very low	111 Å²	111	116.5 Å²	116.5	59%	0.594	61%	0.613	S	S	*	*			trans	-118.6	156.9	166.3	-99.2	-61.5	0	0	0	108.9	V733 K939	V733-D735 PolarHBondContact O-N 3.24Å; D735-K939 VanDerWaalsContact CB-NZ 3.3Å; D735-K939 VanDerWaalsContact CG-NZ 3.27Å; D735-K939 IonicContact OD2-NZ 2.7Å; D735-K939 PolarHBondContact OD2-NZ 3.29Å
736	D	36.1	Very low	43.2	Very low	154 Å²	154	115.1 Å²	115.1	82%	0.824	59%	0.591	S	S	*	*			trans	-62.9	162.7	-162.1	-80.3	-53.3	0	0	0	117.3	G738	D736-G738 VanDerWaalsContact C-N 3.33Å; D736-G738 PolarHBondContact O-N 3.45Å
737	L	36.3	Very low	44.8	Very low	163 Å²	163	114.2 Å²	114.2	85%	0.853	58%	0.58	S	S	*	*	S	Bend	trans	-54.4	82.5	168.3	-65.6	160.3	0	0	0	112.1
738	G	38.6	Very low	46.6	Very low	67 Å²	67	112.8 Å²	112.8	69%	0.691	58%	0.575	S	S	*	*			trans	-136.2	-12.9	-172.7	0	0	0	0	0	118.1	D736	D736-G738 VanDerWaalsContact C-N 3.33Å; D736-G738 PolarHBondContact O-N 3.45Å
739	M	41.8	Very low	48.7	Very low	108 Å²	108	111 Å²	111	53%	0.532	56%	0.563	S	S	.	*	S	Bend	trans	-90.6	143.9	-178	-73.3	-68	-80.8	0	0	112.5	F741	M739-F741 WeakPolarHBondContact O-CD2 3.21Å; M739-F741 PolarHBondContact O-N 2.91Å
740	P	39.4	Very low	50.7	Low	122 Å²	122	110.3 Å²	110.3	79%	0.792	56%	0.56	S	S	*	*			trans	-72.3	93.6	173.9	29.5	-33.5	0	0	0	110.7
741	F	49.8	Very low	53.1	Low	62 Å²	62	104.4 Å²	104.4	27%	0.272	53%	0.533	S	S	.	.			trans	-58.6	140.3	179.8	-76.5	-89.4	0	0	0	112.8	M739 D743 K925 Q941	M739-F741 WeakPolarHBondContact O-CD2 3.21Å; M739-F741 PolarHBondContact O-N 2.91Å; F741-D743 PolarHBondContact O-N 3Å; F741-K925 HydrophobicContact CD1-CD 3.38Å; F741-K925 HydrophobicContact CD2-CD 4.48Å; F741-K925 HydrophobicContact CE1-CB 3.8Å; F741-K925 HydrophobicContact CE1-CD 3.47Å; F741-K925 VanDerWaalsContact CE1-CD 3.47Å; F741-K925 HydrophobicContact CE1-CG 4.28Å; F741-K925 HydrophobicContact CG-CD 3.94Å; F741-K925 HydrophobicContact CZ-CB 4.06Å; F741-K925 HydrophobicContact CZ-CD 4.08Å; F741-Q941 VanDerWaalsContact CD1-CD 3.47Å; F741-Q941 HydrophobicContact CD1-CG 4.14Å; F741-Q941 HydrophobicContact CE1-CB 4.27Å; F741-Q941 HydrophobicContact CE1-CG 3.91Å
742	R	47.3	Very low	55.4	Low	166 Å²	166	99.1 Å²	99.1	63%	0.626	51%	0.514	S	S	*	.			trans	-92.9	77.2	177.9	-164.5	-167	-144.5	152	12.4	109.6	Q744 Q957	R742-Q744 PolarHBondContact O-N 2.6Å; R742-Q957 VanDerWaalsContact CZ-OE1 3.28Å
743	D	50.7	Low	57.6	Low	123 Å²	123	106.5 Å²	106.5	66%	0.658	54%	0.539	S	S	*	.			trans	-60.4	110.1	176.7	-67.1	-32.3	0	0	0	110.4	F741 K925	F741-D743 PolarHBondContact O-N 3Å; D743-K925 IonicContact OD1-NZ 2.68Å; D743-K925 PolarHBondContact OD1-NZ 2.96Å
744	Q	57	Low	59.8	Low	134 Å²	134	111 Å²	111	63%	0.626	55%	0.549	S	S	*	.			trans	-76.9	118.1	171.5	-108.6	171.1	-24.5	0	0	108.7	R742 L746 H898	R742-Q744 PolarHBondContact O-N 2.6Å; Q744-L746 HydrophobicContact CB-CD2 4.17Å; Q744-L746 HydrophobicContact CB-CG 4.49Å; Q744-L746 PolarHBondContact O-N 3.21Å; Q744-H898 PolarHBondContact OE1-CE1 2.96Å
745	E	57.8	Low	62.1	Low	157 Å²	157	107.2 Å²	107.2	73%	0.734	54%	0.536	S	S	*	.			trans	-73.2	77.2	171.1	-72	-167.9	161.8	0	0	110
746	L	67.6	Low	64.5	Low	31 Å²	31	104 Å²	104	16%	0.162	52%	0.521	C	S	.	.			trans	-61.1	137.6	173.2	-56.4	178.5	0	0	0	110.5	Q744 V748 L897	Q744-L746 HydrophobicContact CB-CD2 4.17Å; Q744-L746 HydrophobicContact CB-CG 4.49Å; Q744-L746 PolarHBondContact O-N 3.21Å; L746-V748 PolarHBondContact O-N 3.01Å; L746-L897 HydrophobicContact CB-CB 3.95Å; L746-L897 HydrophobicContact CB-CD1 3.92Å; L746-L897 HydrophobicContact CD1-CB 3.59Å; L746-L897 HydrophobicContact CG-CB 4.41Å
747	I	76	Confident	66.8	Low	111 Å²	111	97.1 Å²	97.1	57%	0.569	48%	0.483	S	S	*	.			trans	-87.8	108.1	-168.6	-57.6	178.6	0	0	0	109.7
748	V	78.7	Confident	69.1	Low	42 Å²	42	94.4 Å²	94.4	26%	0.255	47%	0.467	S	S	.	.			trans	-63.9	127.5	170.6	-176.6	0	0	0	0	109.4	L746 H750 L752 L897	L746-V748 PolarHBondContact O-N 3.01Å; V748-H750 PolarHBondContact O-N 3.13Å; V748-H750 PolarHBondContact O-ND1 3.22Å; V748-L752 HydrophobicContact CG1-CD2 3.78Å; V748-L897 HydrophobicContact CG2-CD1 4.09Å
749	P	81.5	Confident	71.3	Confident	37 Å²	37	95.5 Å²	95.5	24%	0.24	45%	0.452	C	S	.	.			trans	-52.9	128.5	178	-28.8	35.8	0	0	0	112.6	D751 L752	P749-D751 PolarHBondContact O-N 2.91Å; P749-L752 WeakPolarHBondContact O-CB 3.48Å; P749-L752 PolarHBondContact O-N 3.08Å
750	H	80.5	Confident	73.3	Confident	177 Å²	177	91 Å²	91	82%	0.819	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-14.9	-173.9	-62.1	-15.1	0	0	0	113.8	V748	V748-H750 PolarHBondContact O-N 3.13Å; V748-H750 PolarHBondContact O-ND1 3.22Å
751	D	86.7	Confident	75.4	Confident	49 Å²	49	86.2 Å²	86.2	26%	0.262	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	3	179.3	70.1	-33.7	0	0	0	114	P749 Y753 Y754 Y755 K874	P749-D751 PolarHBondContact O-N 2.91Å; D751-Y753 PolarHBondContact O-N 3.39Å; D751-Y754 HydrophobicContact CB-CD2 4.22Å; D751-Y754 WeakPolarHBondContact O-CD2 3.5Å; D751-Y754 PolarHBondContact O-N 3.41Å; D751-Y755 HydrophobicContact CB-CE2 4.36Å; D751-Y755 VanDerWaalsContact O-CD2 3.31Å; D751-Y755 WeakPolarHBondContact O-CD2 3.23Å; D751-Y755 WeakPolarHBondContact O-CE2 3.42Å; D751-Y755 WeakPolarHBondContact OD2-CE2 3.49Å; D751-Y755 PolarHBondContact OD2-OH 2.74Å; D751-K874 IonicContact OD1-NZ 2.72Å; D751-K874 PolarHBondContact OD1-NZ 3.05Å; D751-K874 IonicContact OD2-NZ 3.15Å; D751-K874 PolarHBondContact OD2-NZ 2.62Å
752	L	84.9	Confident	76.9	Confident	19 Å²	19	87.8 Å²	87.8	10%	0.099	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-52.2	-29.6	-174.5	-167.7	68.1	0	0	0	114.3	V748 P749 Y754 Y755 K874 L877 N878 M881	V748-L752 HydrophobicContact CG1-CD2 3.78Å; P749-L752 WeakPolarHBondContact O-CB 3.48Å; P749-L752 PolarHBondContact O-N 3.08Å; L752-Y754 PolarHBondContact O-N 3.49Å; L752-Y755 PolarHBondContact O-N 2.9Å; L752-Y755 VanDerWaalsContact O-N 3.16Å; L752-K874 HydrophobicContact CD1-CB 4.18Å; L752-K874 WeakPolarHBondContact CD1-O 3.42Å; L752-L877 HydrophobicContact CD1-CB 4.06Å; L752-L877 HydrophobicContact CD1-CD2 4.13Å; L752-L877 HydrophobicContact CD1-CG 4.1Å; L752-L877 HydrophobicContact CD2-CD2 4.42Å; L752-L877 HydrophobicContact CD2-CG 4.11Å; L752-N878 HydrophobicContact CD1-CB 4.06Å; L752-N878 HydrophobicContact CG-CB 4.03Å; L752-N878 PolarHBondContact O-ND2 2.71Å; L752-M881 HydrophobicContact CD2-CB 4.47Å; L752-M881 HydrophobicContact CD2-CG 4.11Å
753	Y	81.5	Confident	78.5	Confident	196 Å²	196	85.6 Å²	85.6	77%	0.769	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-57.2	-29	176.8	179.1	-106.2	0	0	0	113.9	D751 Y755	D751-Y753 PolarHBondContact O-N 3.39Å; Y753-Y755 PolarHBondContact O-N 3.21Å
754	Y	85.7	Confident	79.9	Confident	159 Å²	159	82.3 Å²	82.3	62%	0.624	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-79.2	0.4	-179.2	-62	-68.3	0	0	0	114.4	D751 L752 P756 K759	D751-Y754 HydrophobicContact CB-CD2 4.22Å; D751-Y754 WeakPolarHBondContact O-CD2 3.5Å; D751-Y754 PolarHBondContact O-N 3.41Å; L752-Y754 PolarHBondContact O-N 3.49Å; Y754-P756 WeakPolarHBondContact O-CD 3.48Å; Y754-K759 PolarHBondContact O-NZ 3.21Å
755	Y	87.7	Confident	80.9	Confident	64 Å²	64	77.3 Å²	77.3	25%	0.251	38%	0.379	S	S	.	.			trans	-124.1	51.8	-173.4	-54.5	-97.5	0	0	0	113.4	D751 L752 Y753 K874 Y875 N878	D751-Y755 HydrophobicContact CB-CE2 4.36Å; D751-Y755 VanDerWaalsContact O-CD2 3.31Å; D751-Y755 WeakPolarHBondContact O-CD2 3.23Å; D751-Y755 WeakPolarHBondContact O-CE2 3.42Å; D751-Y755 WeakPolarHBondContact OD2-CE2 3.49Å; D751-Y755 PolarHBondContact OD2-OH 2.74Å; L752-Y755 PolarHBondContact O-N 2.9Å; L752-Y755 VanDerWaalsContact O-N 3.16Å; Y753-Y755 PolarHBondContact O-N 3.21Å; Y755-K874 HydrophobicContact CD1-CB 3.83Å; Y755-K874 HydrophobicContact CD1-CD 4.21Å; Y755-K874 HydrophobicContact CD2-CB 4.07Å; Y755-K874 HydrophobicContact CD2-CD 3.87Å; Y755-K874 HydrophobicContact CE1-CB 4.36Å; Y755-K874 HydrophobicContact CE1-CD 3.94Å; Y755-K874 HydrophobicContact CE2-CD 3.59Å; Y755-K874 HydrophobicContact CG-CB 3.67Å; Y755-K874 HydrophobicContact CG-CD 4.19Å; Y755-Y875 VanDerWaalsContact C-CD1 3.49Å; Y755-Y875 HydrophobicContact CD1-CD2 4.36Å; Y755-Y875 HydrophobicContact CD1-CE1 4.06Å; Y755-Y875 AromaticContact CD1-CE2 3.86Å; Y755-Y875 HydrophobicContact CD1-CE2 3.86Å; Y755-Y875 AromaticContact CD1-CZ 3.7Å; Y755-Y875 HydrophobicContact CG-CE1 4.41Å; Y755-Y875 WeakPolarHBondContact O-CA 3.44Å; Y755-Y875 VanDerWaalsContact O-CD1 3.3Å; Y755-Y875 WeakPolarHBondContact O-CD1 3.49Å; Y755-N878 WeakPolarHBondContact O-CB 3.41Å; Y755-N878 PolarHBondContact O-ND2 2.79Å
756	P	88.3	Confident	81.5	Confident	43 Å²	43	74.2 Å²	74.2	28%	0.279	36%	0.363	S	S	.	.			trans	-65.5	141.9	173	31.7	-35.9	0	0	0	110.7	Y754 E758 K759 Y875	Y754-P756 WeakPolarHBondContact O-CD 3.48Å; P756-E758 VanDerWaalsContact C-N 3.28Å; P756-E758 WeakPolarHBondContact CB-OE2 3.35Å; P756-E758 PolarHBondContact O-N 2.71Å; P756-K759 HydrophobicContact CG-CB 4.01Å; P756-K759 HydrophobicContact CG-CD 4.45Å; P756-K759 VanDerWaalsContact O-CB 3.23Å; P756-K759 WeakPolarHBondContact O-CB 3.43Å; P756-K759 PolarHBondContact O-N 3.27Å; P756-K759 VanDerWaalsContact O-N 3.07Å; P756-Y875 WeakPolarHBondContact O-CD1 3.44Å
757	F	85.6	Confident	81.4	Confident	9 Å²	9	76 Å²	76	4%	0.039	38%	0.375	C	S	.	.	H	α-helix	trans	-66.6	-29.3	-168.3	-171.8	-93.5	0	0	0	113.3	K759 F760 V761 F765 V840 M872 I876 F879	F757-K759 PolarHBondContact O-N 2.91Å; F757-F760 HydrophobicContact CE2-CD1 4.27Å; F757-F760 HydrophobicContact CZ-CD1 4.45Å; F757-F760 WeakPolarHBondContact O-CA 3.45Å; F757-F760 VanDerWaalsContact O-CB 3.31Å; F757-F760 WeakPolarHBondContact O-CB 2.92Å; F757-F760 PolarHBondContact O-N 3.01Å; F757-V761 HydrophobicContact CD1-CG2 3.66Å; F757-V761 HydrophobicContact CE1-CG2 3.39Å; F757-V761 HydrophobicContact CZ-CG2 4.32Å; F757-V761 PolarHBondContact O-N 3.02Å; F757-F765 HydrophobicContact CE1-CZ 4.22Å; F757-F765 HydrophobicContact CZ-CE1 4.37Å; F757-F765 HydrophobicContact CZ-CZ 4.13Å; F757-V840 HydrophobicContact CD1-CG1 3.84Å; F757-V840 HydrophobicContact CE1-CB 4.18Å; F757-V840 HydrophobicContact CE1-CG1 3.38Å; F757-V840 HydrophobicContact CE2-CG1 4.4Å; F757-V840 HydrophobicContact CE2-CG2 4.29Å; F757-V840 HydrophobicContact CZ-CB 4.02Å; F757-V840 HydrophobicContact CZ-CG1 3.71Å; F757-V840 HydrophobicContact CZ-CG2 4.13Å; F757-M872 HydrophobicContact CE2-CE 3.81Å; F757-M872 HydrophobicContact CZ-CE 4.15Å; F757-I876 HydrophobicContact CD2-CD1 4.32Å; F757-I876 HydrophobicContact CE2-CD1 3.79Å; F757-I876 HydrophobicContact CE2-CG1 4.28Å; F757-F879 HydrophobicContact CB-CB 3.99Å; F757-F879 HydrophobicContact CB-CD2 4.1Å; F757-F879 HydrophobicContact CB-CG 4.43Å; F757-F879 HydrophobicContact CD2-CB 4.32Å; F757-F879 HydrophobicContact CG-CB 4.29Å; F757-F879 HydrophobicContact CG-CD2 4.3Å; F757-F879 HydrophobicContact CG-CG 4.49Å
758	E	84.3	Confident	80.2	Confident	107 Å²	107	75.2 Å²	75.2	50%	0.5	38%	0.379	S	S	.	.	H	α-helix	trans	-60.9	-28.9	176.2	-51.9	70.6	-151.2	0	0	111.1	P756 S762	P756-E758 VanDerWaalsContact C-N 3.28Å; P756-E758 WeakPolarHBondContact CB-OE2 3.35Å; P756-E758 PolarHBondContact O-N 2.71Å; E758-S762 WeakPolarHBondContact O-CB 3.31Å; E758-S762 PolarHBondContact O-N 3.39Å; E758-S762 PolarHBondContact O-OG 3.36Å
759	K	84.8	Confident	79	Confident	89 Å²	89	75.1 Å²	75.1	39%	0.387	38%	0.379	S	S	.	.	H	α-helix	trans	-73.2	-30.6	171.8	-176	-172.5	175.7	-159.1	0	112.2	Y754 P756 F757 S762 L763 Y875	Y754-K759 PolarHBondContact O-NZ 3.21Å; P756-K759 HydrophobicContact CG-CB 4.01Å; P756-K759 HydrophobicContact CG-CD 4.45Å; P756-K759 VanDerWaalsContact O-CB 3.23Å; P756-K759 WeakPolarHBondContact O-CB 3.43Å; P756-K759 PolarHBondContact O-N 3.27Å; P756-K759 VanDerWaalsContact O-N 3.07Å; F757-K759 PolarHBondContact O-N 2.91Å; K759-S762 WeakPolarHBondContact CA-OG 3.44Å; K759-S762 PolarHBondContact O-OG 3Å; K759-L763 HydrophobicContact CG-CD1 4.09Å; K759-L763 WeakPolarHBondContact O-CB 3.49Å; K759-L763 VanDerWaalsContact O-CD1 3.3Å; K759-L763 WeakPolarHBondContact O-CD1 3.3Å; K759-L763 WeakPolarHBondContact O-CG 3.38Å; K759-L763 PolarHBondContact O-N 2.91Å; K759-Y875 HydrophobicContact CB-CE1 4.32Å; K759-Y875 HydrophobicContact CD-CE1 4.28Å; K759-Y875 HydrophobicContact CG-CE1 4.41Å
760	F	83.8	Confident	77.6	Confident	13 Å²	13	75.7 Å²	75.7	6%	0.057	39%	0.391	C	S	.	.	H	α-helix	trans	-72.5	-44.5	171.8	-170.7	-100.2	0	0	0	111	F757 S762 L763 C764 F765 L782 M872 Y875	F757-F760 HydrophobicContact CE2-CD1 4.27Å; F757-F760 HydrophobicContact CZ-CD1 4.45Å; F757-F760 WeakPolarHBondContact O-CA 3.45Å; F757-F760 VanDerWaalsContact O-CB 3.31Å; F757-F760 WeakPolarHBondContact O-CB 2.92Å; F757-F760 PolarHBondContact O-N 3.01Å; F760-S762 PolarHBondContact O-N 3.37Å; F760-L763 PolarHBondContact O-N 3.24Å; F760-L763 VanDerWaalsContact O-N 3.15Å; F760-C764 HydrophobicContact CD1-CB 4.35Å; F760-C764 HydrophobicContact CE1-CB 4.11Å; F760-C764 HydrophobicContact CE2-CB 4.3Å; F760-C764 HydrophobicContact CZ-CB 4.09Å; F760-C764 VanDerWaalsContact O-CB 3.31Å; F760-C764 WeakPolarHBondContact O-CB 3.48Å; F760-C764 PolarHBondContact O-N 2.87Å; F760-F765 HydrophobicContact CD1-CE1 4.13Å; F760-F765 HydrophobicContact CE1-CE1 4.28Å; F760-L782 HydrophobicContact CE1-CD2 4.06Å; F760-L782 HydrophobicContact CZ-CD2 4.48Å; F760-M872 HydrophobicContact CD1-CE 4.29Å; F760-M872 HydrophobicContact CD1-CG 4.46Å; F760-M872 HydrophobicContact CE1-CE 3.78Å; F760-M872 HydrophobicContact CE1-CG 3.88Å; F760-M872 HydrophobicContact CE1-SD 4Å; F760-M872 HydrophobicContact CE2-CB 4.07Å; F760-M872 HydrophobicContact CE2-CG 4.15Å; F760-M872 HydrophobicContact CZ-CB 3.88Å; F760-M872 HydrophobicContact CZ-CE 4.46Å; F760-M872 HydrophobicContact CZ-CG 3.7Å; F760-M872 HydrophobicContact CZ-SD 4.1Å; F760-Y875 HydrophobicContact CB-CD1 3.7Å; F760-Y875 HydrophobicContact CB-CD2 4.12Å; F760-Y875 HydrophobicContact CB-CE1 4.1Å; F760-Y875 HydrophobicContact CB-CE2 4.49Å; F760-Y875 HydrophobicContact CB-CG 3.69Å; F760-Y875 AromaticContact CD2-CD2 3.51Å; F760-Y875 HydrophobicContact CD2-CD2 3.51Å; F760-Y875 AromaticContact CD2-CE2 3.7Å; F760-Y875 HydrophobicContact CD2-CE2 3.7Å; F760-Y875 AromaticContact CD2-CG 3.97Å; F760-Y875 HydrophobicContact CD2-CG 3.97Å; F760-Y875 HydrophobicContact CE2-CD2 4.27Å; F760-Y875 HydrophobicContact CE2-CE2 4.48Å; F760-Y875 HydrophobicContact CG-CD2 4.12Å; F760-Y875 HydrophobicContact CG-CG 4.11Å
761	V	82.9	Confident	76.5	Confident	23 Å²	23	74 Å²	74	14%	0.139	39%	0.388	C	S	.	.	H	α-helix	trans	-55	-52.8	175	176.8	0	0	0	0	110.7	F757 L763 C764 F765 C768	F757-V761 HydrophobicContact CD1-CG2 3.66Å; F757-V761 HydrophobicContact CE1-CG2 3.39Å; F757-V761 HydrophobicContact CZ-CG2 4.32Å; F757-V761 PolarHBondContact O-N 3.02Å; V761-L763 PolarHBondContact O-N 3.47Å; V761-C764 PolarHBondContact O-N 3.4Å; V761-F765 HydrophobicContact CB-CD1 4.39Å; V761-F765 HydrophobicContact CB-CG 4.33Å; V761-F765 HydrophobicContact CG1-CB 4.11Å; V761-F765 HydrophobicContact CG1-CD1 4.47Å; V761-F765 HydrophobicContact CG1-CD2 3.91Å; V761-F765 HydrophobicContact CG1-CE2 4.42Å; V761-F765 HydrophobicContact CG1-CG 3.93Å; V761-F765 HydrophobicContact CG2-CD1 4.29Å; V761-F765 HydrophobicContact CG2-CD2 4.36Å; V761-F765 HydrophobicContact CG2-CE1 4.06Å; V761-F765 HydrophobicContact CG2-CE2 4.13Å; V761-F765 HydrophobicContact CG2-CG 4.43Å; V761-F765 HydrophobicContact CG2-CZ 3.97Å; V761-F765 WeakPolarHBondContact O-CB 3.42Å; V761-F765 PolarHBondContact O-N 2.9Å; V761-C768 HydrophobicContact CG1-CB 4.33Å
762	S	81	Confident	75.3	Confident	94 Å²	94	72.9 Å²	72.9	66%	0.657	39%	0.388	S	S	*	.	H	α-helix	trans	-68.4	-11.6	-179.6	52.4	0	0	0	0	115.6	E758 K759 F760	E758-S762 WeakPolarHBondContact O-CB 3.31Å; E758-S762 PolarHBondContact O-N 3.39Å; E758-S762 PolarHBondContact O-OG 3.36Å; K759-S762 WeakPolarHBondContact CA-OG 3.44Å; K759-S762 PolarHBondContact O-OG 3Å; F760-S762 PolarHBondContact O-N 3.37Å
763	L	81.5	Confident	74.5	Confident	121 Å²	121	74.5 Å²	74.5	63%	0.634	40%	0.397	S	S	*	.	H	α-helix	trans	-102.9	-27	175	-72.1	173.2	0	0	0	113.7	K759 F760 V761	K759-L763 HydrophobicContact CG-CD1 4.09Å; K759-L763 WeakPolarHBondContact O-CB 3.49Å; K759-L763 VanDerWaalsContact O-CD1 3.3Å; K759-L763 WeakPolarHBondContact O-CD1 3.3Å; K759-L763 WeakPolarHBondContact O-CG 3.38Å; K759-L763 PolarHBondContact O-N 2.91Å; F760-L763 PolarHBondContact O-N 3.24Å; F760-L763 VanDerWaalsContact O-N 3.15Å; V761-L763 PolarHBondContact O-N 3.47Å
764	C	79.4	Confident	73.9	Confident	54 Å²	54	67.8 Å²	67.8	37%	0.365	37%	0.37	S	S	.	.	H	α-helix	trans	-129.7	-17.1	-163.3	-60.2	0	0	0	0	115.5	F760 V761 L782	F760-C764 HydrophobicContact CD1-CB 4.35Å; F760-C764 HydrophobicContact CE1-CB 4.11Å; F760-C764 HydrophobicContact CE2-CB 4.3Å; F760-C764 HydrophobicContact CZ-CB 4.09Å; F760-C764 VanDerWaalsContact O-CB 3.31Å; F760-C764 WeakPolarHBondContact O-CB 3.48Å; F760-C764 PolarHBondContact O-N 2.87Å; V761-C764 PolarHBondContact O-N 3.4Å; C764-L782 HydrophobicContact CB-CD2 4.12Å
765	F	78.6	Confident	73.3	Confident	28 Å²	28	66.4 Å²	66.4	12%	0.123	37%	0.373	C	S	.	.			trans	-85	132.9	-179.3	-81.2	37.7	0	0	0	111.4	F757 F760 V761 V767 F781 L782 A837	F757-F765 HydrophobicContact CE1-CZ 4.22Å; F757-F765 HydrophobicContact CZ-CE1 4.37Å; F757-F765 HydrophobicContact CZ-CZ 4.13Å; F760-F765 HydrophobicContact CD1-CE1 4.13Å; F760-F765 HydrophobicContact CE1-CE1 4.28Å; V761-F765 HydrophobicContact CB-CD1 4.39Å; V761-F765 HydrophobicContact CB-CG 4.33Å; V761-F765 HydrophobicContact CG1-CB 4.11Å; V761-F765 HydrophobicContact CG1-CD1 4.47Å; V761-F765 HydrophobicContact CG1-CD2 3.91Å; V761-F765 HydrophobicContact CG1-CE2 4.42Å; V761-F765 HydrophobicContact CG1-CG 3.93Å; V761-F765 HydrophobicContact CG2-CD1 4.29Å; V761-F765 HydrophobicContact CG2-CD2 4.36Å; V761-F765 HydrophobicContact CG2-CE1 4.06Å; V761-F765 HydrophobicContact CG2-CE2 4.13Å; V761-F765 HydrophobicContact CG2-CG 4.43Å; V761-F765 HydrophobicContact CG2-CZ 3.97Å; V761-F765 WeakPolarHBondContact O-CB 3.42Å; V761-F765 PolarHBondContact O-N 2.9Å; F765-V767 VanDerWaalsContact C-N 3.33Å; F765-F781 CarbonylContact C-O 3.47Å; F765-F781 WeakPolarHBondContact CA-O 3.49Å; F765-F781 HydrophobicContact CD2-CB 4.11Å; F765-F781 HydrophobicContact CD2-CD2 4.2Å; F765-F781 HydrophobicContact CD2-CG 4.14Å; F765-F781 HydrophobicContact CE2-CB 4.16Å; F765-F781 AromaticContact CE2-CD2 3.57Å; F765-F781 HydrophobicContact CE2-CD2 3.57Å; F765-F781 HydrophobicContact CE2-CE2 4.09Å; F765-F781 AromaticContact CE2-CG 3.98Å; F765-F781 HydrophobicContact CE2-CG 3.98Å; F765-F781 HydrophobicContact CG-CB 4.36Å; F765-F781 HydrophobicContact CZ-CB 4.45Å; F765-F781 HydrophobicContact CZ-CD2 4.02Å; F765-L782 HydrophobicContact CD1-CD2 3.94Å; F765-L782 HydrophobicContact CE1-CD2 4.11Å; F765-A837 HydrophobicContact CE1-CB 3.95Å; F765-A837 HydrophobicContact CZ-CB 3.68Å
766	K	71.1	Confident	72.8	Confident	92 Å²	92	66.3 Å²	66.3	40%	0.4	38%	0.38	S	S	.	.	S	Bend	trans	-67.6	-30.9	173.1	-75.8	170	172	161.5	0	113.2	P780 F781 L782	K766-P780 WeakPolarHBondContact CD-O 3.19Å; K766-F781 PolarHBondContact N-O 2.9Å; K766-L782 VanDerWaalsContact CE-O 3.28Å; K766-L782 WeakPolarHBondContact CE-O 3.48Å; K766-L782 PolarHBondContact NZ-O 2.86Å
767	V	64.5	Low	72.6	Confident	68 Å²	68	65.2 Å²	65.2	41%	0.412	37%	0.372	S	S	.	.	S	Bend	trans	-137.5	129.2	178.6	-177.7	0	0	0	0	107.5	F765 T769	F765-V767 VanDerWaalsContact C-N 3.33Å; V767-T769 HydrophobicContact CG1-CG2 4.4Å
768	C	50.8	Low	72.4	Confident	96 Å²	96	69.7 Å²	69.7	65%	0.649	40%	0.404	S	S	*	.			trans	-107.5	114.1	-178.5	-177.3	0	0	0	0	110.2	V761	V761-C768 HydrophobicContact CG1-CB 4.33Å
769	T	54.1	Low	72.4	Confident	40 Å²	40	67.5 Å²	67.5	25%	0.245	40%	0.399	C	S	.	.			trans	-130.9	113.2	175.6	44.6	0	0	0	0	108.9	V767 D771 L773 N841	V767-T769 HydrophobicContact CG1-CG2 4.4Å; T769-D771 VanDerWaalsContact C-N 3.34Å; T769-L773 HydrophobicContact CG2-CD1 4.28Å; T769-L773 HydrophobicContact CG2-CD2 4.2Å; T769-L773 HydrophobicContact CG2-CG 4.25Å; T769-L773 WeakPolarHBondContact OG1-CD1 3.41Å; T769-N841 PolarHBondContact O-OD1 3.17Å; T769-N841 PolarHBondContact OG1-OD1 3.35Å
770	G	51.3	Low	72.5	Confident	49 Å²	49	63.5 Å²	63.5	51%	0.505	38%	0.382	S	S	.	.	S	Bend	trans	-71.4	-32.8	175	0	0	0	0	0	112.3
771	D	58.5	Low	72.7	Confident	141 Å²	141	63 Å²	63	75%	0.754	38%	0.38	S	S	*	.	S	Bend	trans	-77.5	136.3	175.9	-50.1	-78.1	0	0	0	111.6	T769 L773	T769-D771 VanDerWaalsContact C-N 3.34Å; D771-L773 PolarHBondContact O-N 3.06Å
772	G	61.2	Low	72.9	Confident	26 Å²	26	62.7 Å²	62.7	27%	0.268	38%	0.377	S	S	.	.			trans	-62.5	104.8	-179.1	0	0	0	0	0	113.4	R774 N841	G772-R774 VanDerWaalsContact O-CG 3.24Å; G772-R774 WeakPolarHBondContact O-CG 3.2Å; G772-R774 PolarHBondContact O-N 3.06Å; G772-N841 WeakPolarHBondContact CA-O 3.46Å
773	L	68.3	Low	73.2	Confident	52 Å²	52	64.6 Å²	64.6	27%	0.272	38%	0.375	S	S	.	.			trans	-57.5	117.3	-178	-82.1	169.5	0	0	0	112.2	T769 D771 I777 F781 F797 Q842	T769-L773 HydrophobicContact CG2-CD1 4.28Å; T769-L773 HydrophobicContact CG2-CD2 4.2Å; T769-L773 HydrophobicContact CG2-CG 4.25Å; T769-L773 WeakPolarHBondContact OG1-CD1 3.41Å; D771-L773 PolarHBondContact O-N 3.06Å; L773-I777 HydrophobicContact CD1-CG2 4.02Å; L773-F781 HydrophobicContact CD1-CE1 3.96Å; L773-F781 HydrophobicContact CD1-CZ 4.11Å; L773-F797 HydrophobicContact CB-CZ 3.93Å; L773-Q842 PolarHBondContact O-NE2 3.09Å
774	R	68.5	Low	73.4	Confident	56 Å²	56	59.7 Å²	59.7	21%	0.211	35%	0.349	C	S	.	.			trans	-98.7	-17.5	-176.3	-56.8	-157.9	172.1	-166.4	-3.2	114.8	M703 A705 G772 N846	M703-R774 PolarHBondContact O-NH1 3.2Å; A705-R774 HydrophobicContact CB-CB 4.37Å; G772-R774 VanDerWaalsContact O-CG 3.24Å; G772-R774 WeakPolarHBondContact O-CG 3.2Å; G772-R774 PolarHBondContact O-N 3.06Å; R774-N846 PolarHBondContact NH2-OD1 3.02Å
775	D	72.3	Confident	73.5	Confident	129 Å²	129	64.4 Å²	64.4	69%	0.69	37%	0.37	S	S	*	.	S	Bend	trans	-92.6	149.4	172.3	-62.1	-57.2	0	0	0	110.9	I777 F797	D775-I777 PolarHBondContact O-N 3.24Å; D775-F797 WeakPolarHBondContact O-CE1 3.46Å
776	P	77.9	Confident	73.9	Confident	62 Å²	62	66.2 Å²	66.2	40%	0.403	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-58.2	129.1	177.7	-25.9	35.5	0	0	0	113.4	I710 K798 L801	I710-P776 HydrophobicContact CD1-CG 4.01Å; P776-K798 HydrophobicContact CB-CG 3.96Å; P776-K798 HydrophobicContact CG-CG 4.33Å; P776-L801 HydrophobicContact CG-CD1 4.3Å
777	I	83.4	Confident	74.6	Confident	20 Å²	20	70.1 Å²	70.1	10%	0.103	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-58.5	147.2	175.6	57	175.5	0	0	0	112.8	L773 D775 F781 L794 F797	L773-I777 HydrophobicContact CD1-CG2 4.02Å; D775-I777 PolarHBondContact O-N 3.24Å; I777-F781 HydrophobicContact CG2-CE1 3.83Å; I777-F781 HydrophobicContact CG2-CZ 4.48Å; I777-L794 HydrophobicContact CD1-CD2 4.01Å; I777-L794 HydrophobicContact CG1-CD2 3.77Å; I777-F797 HydrophobicContact CB-CD1 4.28Å; I777-F797 HydrophobicContact CB-CE1 4.47Å; I777-F797 HydrophobicContact CB-CG 4.42Å; I777-F797 HydrophobicContact CD1-CB 3.59Å; I777-F797 HydrophobicContact CD1-CD1 4.38Å; I777-F797 HydrophobicContact CD1-CD2 3.89Å; I777-F797 HydrophobicContact CD1-CG 3.71Å; I777-F797 HydrophobicContact CG1-CB 3.65Å; I777-F797 HydrophobicContact CG1-CD1 3.78Å; I777-F797 HydrophobicContact CG1-CD2 4.16Å; I777-F797 HydrophobicContact CG1-CE1 4.44Å; I777-F797 HydrophobicContact CG1-CG 3.6Å; I777-F797 HydrophobicContact CG2-CD1 4Å; I777-F797 HydrophobicContact CG2-CD2 4.13Å; I777-F797 HydrophobicContact CG2-CE1 3.79Å; I777-F797 HydrophobicContact CG2-CE2 3.93Å; I777-F797 HydrophobicContact CG2-CG 4.15Å; I777-F797 HydrophobicContact CG2-CZ 3.75Å
778	S	81.2	Confident	75.8	Confident	103 Å²	103	71.8 Å²	71.8	72%	0.72	40%	0.404	S	S	*	.	S	Bend	trans	-96.3	-20	172.6	54.3	0	0	0	0	113.4
779	T	85.7	Confident	77.6	Confident	62 Å²	62	67.9 Å²	67.9	38%	0.38	38%	0.377	S	S	.	.	S	Bend	trans	-137.2	142.1	176.1	56.6	0	0	0	0	110.4
780	P	87	Confident	79.1	Confident	4 Å²	4	68.7 Å²	68.7	3%	0.026	38%	0.379	C	S	.	.			trans	-57.7	153.5	171.7	-21.8	33.9	0	0	0	111.6	K766 K784 I790 L794 E834	K766-P780 WeakPolarHBondContact CD-O 3.19Å; P780-K784 HydrophobicContact CB-CG 4.34Å; P780-K784 HydrophobicContact CG-CG 4.39Å; P780-I790 HydrophobicContact CG-CB 4.26Å; P780-I790 HydrophobicContact CG-CG1 4.24Å; P780-I790 HydrophobicContact CG-CG2 3.96Å; P780-L794 HydrophobicContact CG-CD2 4.34Å; P780-E834 WeakPolarHBondContact CA-OE1 3.25Å
781	F	86.7	Confident	80.9	Confident	4 Å²	4	73.3 Å²	73.3	2%	0.018	39%	0.387	C	S	.	.	S	Bend	trans	-68.1	-42	177.3	-69.5	-10.6	0	0	0	111.2	F765 K766 L773 I777 F797 E834 A837 Q838 N841	F765-F781 CarbonylContact C-O 3.47Å; F765-F781 WeakPolarHBondContact CA-O 3.49Å; F765-F781 HydrophobicContact CD2-CB 4.11Å; F765-F781 HydrophobicContact CD2-CD2 4.2Å; F765-F781 HydrophobicContact CD2-CG 4.14Å; F765-F781 HydrophobicContact CE2-CB 4.16Å; F765-F781 AromaticContact CE2-CD2 3.57Å; F765-F781 HydrophobicContact CE2-CD2 3.57Å; F765-F781 HydrophobicContact CE2-CE2 4.09Å; F765-F781 AromaticContact CE2-CG 3.98Å; F765-F781 HydrophobicContact CE2-CG 3.98Å; F765-F781 HydrophobicContact CG-CB 4.36Å; F765-F781 HydrophobicContact CZ-CB 4.45Å; F765-F781 HydrophobicContact CZ-CD2 4.02Å; K766-F781 PolarHBondContact N-O 2.9Å; L773-F781 HydrophobicContact CD1-CE1 3.96Å; L773-F781 HydrophobicContact CD1-CZ 4.11Å; I777-F781 HydrophobicContact CG2-CE1 3.83Å; I777-F781 HydrophobicContact CG2-CZ 4.48Å; F781-F797 AromaticContact CZ-CE2 3.98Å; F781-F797 HydrophobicContact CZ-CE2 3.98Å; F781-E834 PolarHBondContact N-OE1 3.22Å; F781-A837 HydrophobicContact CD2-CB 4.07Å; F781-Q838 HydrophobicContact CD2-CG 3.98Å; F781-Q838 HydrophobicContact CE2-CB 4.47Å; F781-Q838 HydrophobicContact CE2-CG 4.08Å; F781-N841 HydrophobicContact CE2-CB 3.54Å; F781-N841 HydrophobicContact CZ-CB 3.93Å; F781-N841 WeakPolarHBondContact CZ-OD1 3.22Å
782	L	88.2	Confident	82.4	Confident	15 Å²	15	68.3 Å²	68.3	8%	0.079	36%	0.36	C	S	.	.	S	Bend	trans	-97.1	171.9	-177.3	-55.9	177.8	0	0	0	112.6	F760 C764 F765 K766 D833 E834	F760-L782 HydrophobicContact CE1-CD2 4.06Å; F760-L782 HydrophobicContact CZ-CD2 4.48Å; C764-L782 HydrophobicContact CB-CD2 4.12Å; F765-L782 HydrophobicContact CD1-CD2 3.94Å; F765-L782 HydrophobicContact CE1-CD2 4.11Å; K766-L782 VanDerWaalsContact CE-O 3.28Å; K766-L782 WeakPolarHBondContact CE-O 3.48Å; K766-L782 PolarHBondContact NZ-O 2.86Å; L782-D833 HydrophobicContact CD1-CB 3.61Å; L782-E834 WeakPolarHBondContact CB-OE2 3.4Å; L782-E834 PolarHBondContact N-OE2 3.23Å
783	H	86.8	Confident	83.8	Confident	135 Å²	135	67.1 Å²	67.1	63%	0.625	35%	0.347	S	S	*	.			trans	-68.3	148	167.1	-150	88.2	0	0	0	111	D785	H783-D785 IonicContact CD2-OD1 2.77Å; H783-D785 PolarHBondContact CD2-OD1 2.94Å; H783-D785 IonicContact NE2-OD1 2.56Å
784	K	85.8	Confident	84.8	Confident	18 Å²	18	66.2 Å²	66.2	8%	0.078	34%	0.343	C	S	.	.			trans	-146.8	132.5	177.9	-58.3	-63.3	168.7	-146.8	0	106.4	P780 D789 I790 S793 A830 E834	P780-K784 HydrophobicContact CB-CG 4.34Å; P780-K784 HydrophobicContact CG-CG 4.39Å; K784-D789 HydrophobicContact CB-CB 4.4Å; K784-D789 HydrophobicContact CD-CB 4.16Å; K784-D789 HydrophobicContact CG-CB 4.48Å; K784-I790 HydrophobicContact CB-CD1 4.5Å; K784-I790 HydrophobicContact CB-CG1 3.71Å; K784-I790 HydrophobicContact CG-CG1 4.22Å; K784-S793 WeakPolarHBondContact CE-OG 3.33Å; K784-A830 PolarHBondContact NZ-O 3.48Å; K784-E834 WeakPolarHBondContact CE-OE2 3.32Å; K784-E834 IonicContact NZ-OE2 2.72Å
785	D	81.8	Confident	85.9	Confident	153 Å²	153	65.6 Å²	65.6	82%	0.818	34%	0.342	S	S	*	.	S	Bend	trans	-91.9	-6.5	-169.3	-51.4	-46.3	0	0	0	113.5	H783	H783-D785 IonicContact CD2-OD1 2.77Å; H783-D785 PolarHBondContact CD2-OD1 2.94Å; H783-D785 IonicContact NE2-OD1 2.56Å
786	N	86.4	Confident	86.8	Confident	66 Å²	66	59.4 Å²	59.4	35%	0.353	31%	0.309	S	S	.	.	S	Bend	trans	-137.4	159.7	-178.2	66.4	68.6	0	0	0	111.1	E788 D789 I790	N786-E788 PolarHBondContact OD1-N 2.62Å; N786-D789 PolarHBondContact ND2-OD2 3.28Å; N786-D789 WeakPolarHBondContact OD1-CB 3.45Å; N786-D789 VanDerWaalsContact OD1-CG 3.27Å; N786-D789 PolarHBondContact OD1-N 2.79Å; N786-D789 PolarHBondContact OD1-OD2 3.22Å; N786-I790 WeakPolarHBondContact O-CG1 3.07Å
787	E	87.1	Confident	87.4	Confident	173 Å²	173	56.5 Å²	56.5	81%	0.808	29%	0.29	S	S	*	.	H	α-helix	trans	-73.4	-28.4	-177.8	-63.5	-174.9	142.6	0	0	113.3	I790 E791	E787-I790 WeakPolarHBondContact O-CB 3.48Å; E787-I790 PolarHBondContact O-N 2.76Å; E787-E791 PolarHBondContact O-N 3.07Å
788	E	88.5	Confident	87.7	Confident	104 Å²	104	59.5 Å²	59.5	49%	0.486	30%	0.303	S	S	.	.	H	α-helix	trans	-67.7	-44.7	-176.8	-159.6	-155.3	139.4	0	0	111.8	N786 I790 E791 Q792 K828	N786-E788 PolarHBondContact OD1-N 2.62Å; E788-I790 VanDerWaalsContact C-N 3.27Å; E788-I790 PolarHBondContact O-N 3.44Å; E788-E791 PolarHBondContact O-N 3.36Å; E788-Q792 WeakPolarHBondContact O-CB 3.44Å; E788-Q792 WeakPolarHBondContact O-CG 3.4Å; E788-Q792 PolarHBondContact O-N 2.81Å; E788-Q792 PolarHBondContact OE1-NE2 3.27Å; E788-K828 WeakPolarHBondContact OE1-CE 3.13Å; E788-K828 IonicContact OE1-NZ 3.64Å; E788-K828 PolarHBondContact OE1-NZ 3.06Å; E788-K828 IonicContact OE2-NZ 2.69Å; E788-K828 PolarHBondContact OE2-NZ 3.33Å
789	D	88	Confident	88.1	Confident	14 Å²	14	54.8 Å²	54.8	8%	0.075	27%	0.27	C	S	.	.	H	α-helix	trans	-70.8	-24.5	175.4	-65.2	-20.7	0	0	0	111.3	K784 N786 S793 K828 L831	K784-D789 HydrophobicContact CB-CB 4.4Å; K784-D789 HydrophobicContact CD-CB 4.16Å; K784-D789 HydrophobicContact CG-CB 4.48Å; N786-D789 PolarHBondContact ND2-OD2 3.28Å; N786-D789 WeakPolarHBondContact OD1-CB 3.45Å; N786-D789 VanDerWaalsContact OD1-CG 3.27Å; N786-D789 PolarHBondContact OD1-N 2.79Å; N786-D789 PolarHBondContact OD1-OD2 3.22Å; D789-S793 WeakPolarHBondContact O-CB 3.46Å; D789-S793 PolarHBondContact O-N 3.41Å; D789-S793 PolarHBondContact O-OG 2.84Å; D789-K828 WeakPolarHBondContact OD1-CD 3.41Å; D789-K828 IonicContact OD1-NZ 2.67Å; D789-K828 PolarHBondContact OD1-NZ 3.26Å; D789-L831 HydrophobicContact CB-CD2 4.05Å
790	I	87.2	Confident	88.3	Confident	56 Å²	56	51.9 Å²	51.9	29%	0.287	25%	0.251	S	S	.	.	H	α-helix	trans	-66.6	-55.8	169	-68.7	170.6	0	0	0	109.4	P780 K784 N786 E787 E788 Q792 S793 L794	P780-I790 HydrophobicContact CG-CB 4.26Å; P780-I790 HydrophobicContact CG-CG1 4.24Å; P780-I790 HydrophobicContact CG-CG2 3.96Å; K784-I790 HydrophobicContact CB-CD1 4.5Å; K784-I790 HydrophobicContact CB-CG1 3.71Å; K784-I790 HydrophobicContact CG-CG1 4.22Å; N786-I790 WeakPolarHBondContact O-CG1 3.07Å; E787-I790 WeakPolarHBondContact O-CB 3.48Å; E787-I790 PolarHBondContact O-N 2.76Å; E788-I790 VanDerWaalsContact C-N 3.27Å; E788-I790 PolarHBondContact O-N 3.44Å; I790-Q792 VanDerWaalsContact C-N 3.31Å; I790-Q792 PolarHBondContact O-N 2.88Å; I790-S793 WeakPolarHBondContact O-CB 3.18Å; I790-S793 PolarHBondContact O-N 3.5Å; I790-S793 VanDerWaalsContact O-N 3.11Å; I790-L794 HydrophobicContact CG2-CD1 4.49Å; I790-L794 WeakPolarHBondContact O-CG 3.33Å; I790-L794 PolarHBondContact O-N 2.95Å
791	E	89.4	Confident	88.4	Confident	146 Å²	146	51.7 Å²	51.7	68%	0.682	25%	0.25	S	S	*	.	H	α-helix	trans	-57.8	-44.1	-179.9	-175	174	-161.5	0	0	111.7	E787 E788 S793 L794 M795	E787-E791 PolarHBondContact O-N 3.07Å; E788-E791 PolarHBondContact O-N 3.36Å; E791-S793 PolarHBondContact O-N 3.22Å; E791-L794 PolarHBondContact O-N 2.88Å; E791-M795 PolarHBondContact O-N 3.45Å
792	Q	89.3	Confident	88.4	Confident	37 Å²	37	53 Å²	53	17%	0.173	26%	0.255	C	S	.	.	H	α-helix	trans	-66.7	-34.1	177.4	-72.2	167.4	6.3	0	0	112.6	E788 I790 M795 L796 K828 L831	E788-Q792 WeakPolarHBondContact O-CB 3.44Å; E788-Q792 WeakPolarHBondContact O-CG 3.4Å; E788-Q792 PolarHBondContact O-N 2.81Å; E788-Q792 PolarHBondContact OE1-NE2 3.27Å; I790-Q792 VanDerWaalsContact C-N 3.31Å; I790-Q792 PolarHBondContact O-N 2.88Å; Q792-M795 PolarHBondContact O-N 3.41Å; Q792-L796 WeakPolarHBondContact O-CB 3.39Å; Q792-L796 VanDerWaalsContact O-CG 3.25Å; Q792-L796 WeakPolarHBondContact O-CG 3.36Å; Q792-L796 PolarHBondContact O-N 3.15Å; Q792-K828 VanDerWaalsContact OE1-CE 3.31Å; Q792-L831 HydrophobicContact CB-CD1 4.01Å
793	S	90.3	Very high	88.5	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.7	-36.8	172.1	-62.4	0	0	0	0	112.5	K784 D789 I790 E791 F797 Q838	K784-S793 WeakPolarHBondContact CE-OG 3.33Å; D789-S793 WeakPolarHBondContact O-CB 3.46Å; D789-S793 PolarHBondContact O-N 3.41Å; D789-S793 PolarHBondContact O-OG 2.84Å; I790-S793 WeakPolarHBondContact O-CB 3.18Å; I790-S793 PolarHBondContact O-N 3.5Å; I790-S793 VanDerWaalsContact O-N 3.11Å; E791-S793 PolarHBondContact O-N 3.22Å; S793-F797 PolarHBondContact O-N 3.41Å; S793-Q838 PolarHBondContact O-NE2 2.83Å
794	L	90.1	Very high	88.6	Confident	34 Å²	34	45.9 Å²	45.9	18%	0.178	22%	0.222	C	C	.	.	H	α-helix	trans	-71.9	-33.7	174.3	-57.5	-177.9	0	0	0	112.1	I777 P780 I790 E791 K798	I777-L794 HydrophobicContact CD1-CD2 4.01Å; I777-L794 HydrophobicContact CG1-CD2 3.77Å; P780-L794 HydrophobicContact CG-CD2 4.34Å; I790-L794 HydrophobicContact CG2-CD1 4.49Å; I790-L794 WeakPolarHBondContact O-CG 3.33Å; I790-L794 PolarHBondContact O-N 2.95Å; E791-L794 PolarHBondContact O-N 2.88Å; L794-K798 WeakPolarHBondContact O-CG 3.43Å; L794-K798 PolarHBondContact O-N 2.84Å
795	M	90.3	Very high	88.6	Confident	42 Å²	42	46 Å²	46	21%	0.207	22%	0.223	C	C	.	.	H	α-helix	trans	-66.3	-46.4	171.9	-178.3	-168.8	69	0	0	111.2	P713 E791 Q792 F797 K798 L799 F820 Q824	P713-M795 HydrophobicContact CB-SD 4.37Å; P713-M795 HydrophobicContact CG-CG 4.1Å; P713-M795 HydrophobicContact CG-SD 3.62Å; E791-M795 PolarHBondContact O-N 3.45Å; Q792-M795 PolarHBondContact O-N 3.41Å; M795-F797 VanDerWaalsContact C-N 3.32Å; M795-F797 PolarHBondContact O-N 2.99Å; M795-K798 WeakPolarHBondContact O-CB 3.15Å; M795-K798 PolarHBondContact O-N 2.79Å; M795-K798 VanDerWaalsContact O-N 3.16Å; M795-L799 HydrophobicContact CE-CD1 4.24Å; M795-L799 HydrophobicContact CG-CD1 4.01Å; M795-L799 HydrophobicContact CG-CG 4.43Å; M795-L799 WeakPolarHBondContact O-CG 3.39Å; M795-L799 PolarHBondContact O-N 3.16Å; M795-L799 HydrophobicContact SD-CD1 4.43Å; M795-F820 HydrophobicContact CE-CE1 4.22Å; M795-Q824 HydrophobicContact CE-CG 4.27Å
796	L	91.8	Very high	88.6	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58	-43.2	179.7	-79.4	164.4	0	0	0	111.7	Q792 K798 L799 I800 I821 Q824 L831 I835	Q792-L796 WeakPolarHBondContact O-CB 3.39Å; Q792-L796 VanDerWaalsContact O-CG 3.25Å; Q792-L796 WeakPolarHBondContact O-CG 3.36Å; Q792-L796 PolarHBondContact O-N 3.15Å; L796-K798 VanDerWaalsContact C-N 3.34Å; L796-K798 PolarHBondContact O-N 3.27Å; L796-L799 PolarHBondContact O-N 3.48Å; L796-L799 VanDerWaalsContact O-N 3.15Å; L796-I800 VanDerWaalsContact O-CG1 3.3Å; L796-I800 WeakPolarHBondContact O-CG1 3.43Å; L796-I800 PolarHBondContact O-N 3.29Å; L796-I821 HydrophobicContact CD2-CB 4.4Å; L796-I821 HydrophobicContact CD2-CG2 3.96Å; L796-Q824 HydrophobicContact CD1-CB 4.43Å; L796-Q824 HydrophobicContact CD2-CB 4.09Å; L796-Q824 HydrophobicContact CD2-CG 4.06Å; L796-L831 HydrophobicContact CD1-CB 4.12Å; L796-L831 HydrophobicContact CD1-CD1 3.93Å; L796-L831 HydrophobicContact CD1-CD2 4.49Å; L796-L831 HydrophobicContact CD1-CG 4.41Å; L796-I835 HydrophobicContact CD1-CD1 4.04Å; L796-I835 HydrophobicContact CD1-CG1 3.82Å; L796-I835 HydrophobicContact CD2-CD1 4.16Å; L796-I835 HydrophobicContact CD2-CG1 4.17Å; L796-I835 HydrophobicContact CG-CG1 4.49Å
797	F	90.4	Very high	88.3	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62	-41	177.2	-168.1	-94.7	0	0	0	112.6	L773 D775 I777 F781 S793 M795 L799 I800 L801 Q838	L773-F797 HydrophobicContact CB-CZ 3.93Å; D775-F797 WeakPolarHBondContact O-CE1 3.46Å; I777-F797 HydrophobicContact CB-CD1 4.28Å; I777-F797 HydrophobicContact CB-CE1 4.47Å; I777-F797 HydrophobicContact CB-CG 4.42Å; I777-F797 HydrophobicContact CD1-CB 3.59Å; I777-F797 HydrophobicContact CD1-CD1 4.38Å; I777-F797 HydrophobicContact CD1-CD2 3.89Å; I777-F797 HydrophobicContact CD1-CG 3.71Å; I777-F797 HydrophobicContact CG1-CB 3.65Å; I777-F797 HydrophobicContact CG1-CD1 3.78Å; I777-F797 HydrophobicContact CG1-CD2 4.16Å; I777-F797 HydrophobicContact CG1-CE1 4.44Å; I777-F797 HydrophobicContact CG1-CG 3.6Å; I777-F797 HydrophobicContact CG2-CD1 4Å; I777-F797 HydrophobicContact CG2-CD2 4.13Å; I777-F797 HydrophobicContact CG2-CE1 3.79Å; I777-F797 HydrophobicContact CG2-CE2 3.93Å; I777-F797 HydrophobicContact CG2-CG 4.15Å; I777-F797 HydrophobicContact CG2-CZ 3.75Å; F781-F797 AromaticContact CZ-CE2 3.98Å; F781-F797 HydrophobicContact CZ-CE2 3.98Å; S793-F797 PolarHBondContact O-N 3.41Å; M795-F797 VanDerWaalsContact C-N 3.32Å; M795-F797 PolarHBondContact O-N 2.99Å; F797-L799 VanDerWaalsContact C-N 3.32Å; F797-L799 PolarHBondContact O-N 2.91Å; F797-I800 PolarHBondContact O-N 2.8Å; F797-L801 HydrophobicContact CD1-CD1 3.83Å; F797-L801 HydrophobicContact CD1-CG 3.99Å; F797-L801 HydrophobicContact CE1-CD1 3.54Å; F797-L801 HydrophobicContact CE1-CD2 4.23Å; F797-L801 HydrophobicContact CE1-CG 3.73Å; F797-L801 HydrophobicContact CZ-CG 4.39Å; F797-L801 WeakPolarHBondContact O-CB 3.48Å; F797-L801 WeakPolarHBondContact O-CG 3.32Å; F797-L801 PolarHBondContact O-N 3.19Å; F797-Q838 HydrophobicContact CD2-CB 4.04Å; F797-Q838 HydrophobicContact CD2-CG 3.82Å
798	K	88.9	Confident	88	Confident	83 Å²	83	36.1 Å²	36.1	36%	0.361	19%	0.19	S	C	.	.	H	α-helix	trans	-62.1	-39.2	174.9	-72.1	167.8	-172.9	170.9	0	111.9	I710 P776 L794 M795 L796 R802	I710-K798 HydrophobicContact CG2-CB 3.8Å; I710-K798 HydrophobicContact CG2-CG 4.26Å; P776-K798 HydrophobicContact CB-CG 3.96Å; P776-K798 HydrophobicContact CG-CG 4.33Å; L794-K798 WeakPolarHBondContact O-CG 3.43Å; L794-K798 PolarHBondContact O-N 2.84Å; M795-K798 WeakPolarHBondContact O-CB 3.15Å; M795-K798 PolarHBondContact O-N 2.79Å; M795-K798 VanDerWaalsContact O-N 3.16Å; L796-K798 VanDerWaalsContact C-N 3.34Å; L796-K798 PolarHBondContact O-N 3.27Å; K798-R802 PolarHBondContact O-N 2.96Å
799	L	90.2	Very high	87.6	Confident	5 Å²	5	32.3 Å²	32.3	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-70.6	-39.4	176.4	-64.7	170.8	0	0	0	112.1	L712 P713 L716 M795 L796 F797 R802 Y803 L817 F820 I821	L712-L799 HydrophobicContact CD2-CD2 4.03Å; P713-L799 HydrophobicContact CG-CD1 4.5Å; P713-L799 HydrophobicContact CG-CD2 4.34Å; L716-L799 HydrophobicContact CD2-CD2 4.14Å; M795-L799 HydrophobicContact CE-CD1 4.24Å; M795-L799 HydrophobicContact CG-CD1 4.01Å; M795-L799 HydrophobicContact CG-CG 4.43Å; M795-L799 WeakPolarHBondContact O-CG 3.39Å; M795-L799 PolarHBondContact O-N 3.16Å; M795-L799 HydrophobicContact SD-CD1 4.43Å; L796-L799 PolarHBondContact O-N 3.48Å; L796-L799 VanDerWaalsContact O-N 3.15Å; F797-L799 VanDerWaalsContact C-N 3.32Å; F797-L799 PolarHBondContact O-N 2.91Å; L799-R802 PolarHBondContact O-N 2.87Å; L799-Y803 WeakPolarHBondContact O-CB 3.47Å; L799-Y803 PolarHBondContact O-N 2.92Å; L799-L817 HydrophobicContact CB-CD1 4.13Å; L799-L817 HydrophobicContact CD2-CD1 3.66Å; L799-L817 HydrophobicContact CG-CD1 4.44Å; L799-F820 HydrophobicContact CD1-CD1 3.87Å; L799-F820 HydrophobicContact CD1-CE1 3.94Å; L799-I821 HydrophobicContact CB-CD1 3.87Å; L799-I821 HydrophobicContact CB-CG1 3.76Å; L799-I821 HydrophobicContact CD1-CG1 4.28Å
800	I	91.1	Very high	87.4	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.1	-45.9	174.7	-68.6	162.5	0	0	0	110.6	L796 F797 R802 Y803 M804 I821 Q838 I839 Q842 L858	L796-I800 VanDerWaalsContact O-CG1 3.3Å; L796-I800 WeakPolarHBondContact O-CG1 3.43Å; L796-I800 PolarHBondContact O-N 3.29Å; F797-I800 PolarHBondContact O-N 2.8Å; I800-R802 VanDerWaalsContact C-N 3.32Å; I800-R802 PolarHBondContact O-N 3.23Å; I800-Y803 PolarHBondContact O-N 3.41Å; I800-M804 HydrophobicContact CG2-CG 4.47Å; I800-M804 HydrophobicContact CG2-SD 3.85Å; I800-M804 WeakPolarHBondContact O-CB 3.4Å; I800-M804 WeakPolarHBondContact O-CG 3.1Å; I800-M804 PolarHBondContact O-N 3.01Å; I800-I821 HydrophobicContact CG1-CD1 4.23Å; I800-I821 HydrophobicContact CG1-CG2 4.47Å; I800-Q838 HydrophobicContact CD1-CB 3.86Å; I800-I839 HydrophobicContact CD1-CG1 4.03Å; I800-I839 HydrophobicContact CG1-CG1 4.41Å; I800-I839 HydrophobicContact CG2-CG1 4.28Å; I800-Q842 HydrophobicContact CG2-CG 4.23Å; I800-L858 HydrophobicContact CG1-CD2 4.05Å
801	L	87.6	Confident	87.1	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-55.5	-47.8	173	-82.6	-177.1	0	0	0	111.1	V707 I710 P776 F797 M804 N805	V707-L801 HydrophobicContact CG1-CB 4.3Å; I710-L801 HydrophobicContact CD1-CB 4.35Å; I710-L801 HydrophobicContact CD1-CD1 4.24Å; P776-L801 HydrophobicContact CG-CD1 4.3Å; F797-L801 HydrophobicContact CD1-CD1 3.83Å; F797-L801 HydrophobicContact CD1-CG 3.99Å; F797-L801 HydrophobicContact CE1-CD1 3.54Å; F797-L801 HydrophobicContact CE1-CD2 4.23Å; F797-L801 HydrophobicContact CE1-CG 3.73Å; F797-L801 HydrophobicContact CZ-CG 4.39Å; F797-L801 WeakPolarHBondContact O-CB 3.48Å; F797-L801 WeakPolarHBondContact O-CG 3.32Å; F797-L801 PolarHBondContact O-N 3.19Å; L801-M804 PolarHBondContact O-N 2.98Å; L801-N805 WeakPolarHBondContact O-CB 3.33Å; L801-N805 PolarHBondContact O-N 3.3Å; L801-N805 PolarHBondContact O-ND2 2.97Å
802	R	87	Confident	86.6	Confident	32 Å²	32	32.6 Å²	32.6	12%	0.121	18%	0.18	C	C	.	.	H	α-helix	trans	-63.7	-48.6	178.6	-164.2	172.2	-177	121.4	17.7	111.2	V707 D708 I710 K798 L799 I800 M804 N805 D806	V707-R802 HydrophobicContact CG1-CB 4.29Å; D708-R802 PolarHBondContact O-NH1 3.12Å; D708-R802 PolarHBondContact O-NH2 2.67Å; I710-R802 PolarHBondContact O-NH1 3.44Å; K798-R802 PolarHBondContact O-N 2.96Å; L799-R802 PolarHBondContact O-N 2.87Å; I800-R802 VanDerWaalsContact C-N 3.32Å; I800-R802 PolarHBondContact O-N 3.23Å; R802-M804 VanDerWaalsContact C-N 3.33Å; R802-M804 PolarHBondContact O-N 2.97Å; R802-N805 PolarHBondContact O-N 2.82Å; R802-D806 HydrophobicContact CG-CB 3.74Å; R802-D806 IonicContact CZ-OD2 3.2Å; R802-D806 IonicContact NE-OD2 3.96Å; R802-D806 PolarHBondContact NE-OD2 3.27Å; R802-D806 IonicContact NH2-OD2 2.8Å; R802-D806 PolarHBondContact NH2-OD2 2.94Å; R802-D806 WeakPolarHBondContact O-CB 3.47Å; R802-D806 PolarHBondContact O-N 3.39Å
803	Y	90.1	Very high	86.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-54	-47.6	177.4	-179.1	-88.9	0	0	0	112.4	L799 I800 E814 L817 A818 R854 L858	L799-Y803 WeakPolarHBondContact O-CB 3.47Å; L799-Y803 PolarHBondContact O-N 2.92Å; I800-Y803 PolarHBondContact O-N 3.41Å; Y803-E814 HydrophobicContact CD2-CG 4.09Å; Y803-E814 HydrophobicContact CE2-CG 3.43Å; Y803-E814 VanDerWaalsContact CE2-CG 3.43Å; Y803-E814 WeakPolarHBondContact CE2-O 3.38Å; Y803-L817 HydrophobicContact CD2-CB 4.46Å; Y803-L817 HydrophobicContact CD2-CD2 4.16Å; Y803-L817 HydrophobicContact CD2-CG 4.16Å; Y803-L817 HydrophobicContact CG-CD2 4.47Å; Y803-A818 HydrophobicContact CD2-CB 4.16Å; Y803-A818 HydrophobicContact CE2-CB 3.65Å; Y803-R854 HydrophobicContact CD1-CB 4.41Å; Y803-R854 HydrophobicContact CE1-CB 3.95Å; Y803-R854 WeakPolarHBondContact CE1-O 3.28Å; Y803-R854 WeakPolarHBondContact O-CD 3.26Å; Y803-R854 PolarHBondContact O-NH1 3.13Å; Y803-L858 HydrophobicContact CD1-CB 4.18Å; Y803-L858 HydrophobicContact CD1-CD2 3.96Å; Y803-L858 HydrophobicContact CE1-CB 3.81Å; Y803-L858 HydrophobicContact CE1-CD2 4.41Å; Y803-L858 HydrophobicContact CE1-CG 4.49Å; Y803-L858 HydrophobicContact CG-CD2 4.35Å
804	M	89.2	Confident	86.1	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-77.4	-25.9	-175.1	-68.8	-178.4	62.4	0	0	114.4	I800 L801 R802 Q842 V843 N851	I800-M804 HydrophobicContact CG2-CG 4.47Å; I800-M804 HydrophobicContact CG2-SD 3.85Å; I800-M804 WeakPolarHBondContact O-CB 3.4Å; I800-M804 WeakPolarHBondContact O-CG 3.1Å; I800-M804 PolarHBondContact O-N 3.01Å; L801-M804 PolarHBondContact O-N 2.98Å; R802-M804 VanDerWaalsContact C-N 3.33Å; R802-M804 PolarHBondContact O-N 2.97Å; M804-Q842 HydrophobicContact CE-CB 3.45Å; M804-Q842 VanDerWaalsContact CE-CB 3.45Å; M804-Q842 WeakPolarHBondContact CE-O 3.33Å; M804-Q842 HydrophobicContact SD-CB 3.43Å; M804-Q842 WeakPolarHBondContact SD-CB 3.39Å; M804-Q842 HydrophobicContact SD-CG 4.1Å; M804-V843 HydrophobicContact CE-CG1 3.98Å; M804-N851 VanDerWaalsContact CE-O 3.23Å; M804-N851 WeakPolarHBondContact CE-O 3.15Å; M804-N851 WeakPolarHBondContact O-CA 3.49Å; M804-N851 VanDerWaalsContact O-CB 3.27Å; M804-N851 WeakPolarHBondContact O-CB 3.06Å; M804-N851 PolarHBondContact O-ND2 2.81Å
805	N	85.1	Confident	85.9	Confident	19 Å²	19	33.1 Å²	33.1	10%	0.102	18%	0.182	C	C	.	.	H	α-helix	trans	-120.1	-18.4	-169.3	-57.3	-81.8	0	0	0	115.2	V707 L801 R802 S807 N851	V707-N805 HydrophobicContact CB-CB 4.17Å; V707-N805 HydrophobicContact CG2-CB 3.61Å; L801-N805 WeakPolarHBondContact O-CB 3.33Å; L801-N805 PolarHBondContact O-N 3.3Å; L801-N805 PolarHBondContact O-ND2 2.97Å; R802-N805 PolarHBondContact O-N 2.82Å; N805-S807 PolarHBondContact O-N 3.29Å; N805-N851 PolarHBondContact OD1-ND2 2.97Å
806	D	83.7	Confident	85.7	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.179	C	C	.	.			trans	-77.7	102.1	179	-175.5	-13.7	0	0	0	110.8	R802 S808 L809 R854	R802-D806 HydrophobicContact CG-CB 3.74Å; R802-D806 IonicContact CZ-OD2 3.2Å; R802-D806 IonicContact NE-OD2 3.96Å; R802-D806 PolarHBondContact NE-OD2 3.27Å; R802-D806 IonicContact NH2-OD2 2.8Å; R802-D806 PolarHBondContact NH2-OD2 2.94Å; R802-D806 WeakPolarHBondContact O-CB 3.47Å; R802-D806 PolarHBondContact O-N 3.39Å; D806-S808 VanDerWaalsContact C-N 3.25Å; D806-S808 PolarHBondContact O-N 2.99Å; D806-S808 WeakPolarHBondContact OD1-CA 3.32Å; D806-S808 VanDerWaalsContact OD1-CB 3.32Å; D806-S808 WeakPolarHBondContact OD1-CB 3.35Å; D806-S808 PolarHBondContact OD1-N 2.97Å; D806-S808 PolarHBondContact OD1-OG 3.04Å; D806-L809 HydrophobicContact CB-CD1 3.99Å; D806-L809 HydrophobicContact CB-CG 3.99Å; D806-R854 PolarHBondContact O-NH1 2.93Å
807	S	78.6	Confident	85.5	Confident	110 Å²	110	32.5 Å²	32.5	77%	0.769	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-2.9	179.1	56.3	0	0	0	0	114	N805	N805-S807 PolarHBondContact O-N 3.29Å
808	S	80.7	Confident	85.6	Confident	75 Å²	75	32.5 Å²	32.5	52%	0.524	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-16.7	178.7	76.2	0	0	0	0	114.2	D806 T810	D806-S808 VanDerWaalsContact C-N 3.25Å; D806-S808 PolarHBondContact O-N 2.99Å; D806-S808 WeakPolarHBondContact OD1-CA 3.32Å; D806-S808 VanDerWaalsContact OD1-CB 3.32Å; D806-S808 WeakPolarHBondContact OD1-CB 3.35Å; D806-S808 PolarHBondContact OD1-N 2.97Å; D806-S808 PolarHBondContact OD1-OG 3.04Å; S808-T810 PolarHBondContact O-N 3.32Å
809	L	81.4	Confident	85.7	Confident	24 Å²	24	29.4 Å²	29.4	13%	0.126	17%	0.167	C	C	.	.			trans	-61.5	131.8	-179.7	-62.4	173.6	0	0	0	112.3	D806 Q813 L817	D806-L809 HydrophobicContact CB-CD1 3.99Å; D806-L809 HydrophobicContact CB-CG 3.99Å; L809-Q813 HydrophobicContact CB-CB 4.46Å; L809-Q813 HydrophobicContact CD2-CB 4.19Å; L809-L817 HydrophobicContact CD1-CD2 3.75Å
810	T	83.9	Confident	85.6	Confident	74 Å²	74	30.2 Å²	30.2	45%	0.454	17%	0.17	S	C	.	.			trans	-72.9	165.1	166.6	71.3	0	0	0	0	111.3	S808 D812 Q813 E814	S808-T810 PolarHBondContact O-N 3.32Å; T810-D812 VanDerWaalsContact C-N 3.3Å; T810-D812 PolarHBondContact O-N 2.83Å; T810-Q813 PolarHBondContact O-N 2.78Å; T810-Q813 VanDerWaalsContact OG1-CG 3.3Å; T810-Q813 WeakPolarHBondContact OG1-CG 3.21Å; T810-Q813 PolarHBondContact OG1-N 2.8Å; T810-E814 WeakPolarHBondContact O-CB 3.21Å; T810-E814 PolarHBondContact O-N 3.4Å
811	E	80.2	Confident	85.7	Confident	83 Å²	83	30.2 Å²	30.2	39%	0.388	17%	0.17	S	C	.	.	H	α-helix	trans	-60.6	-36.8	179.8	179.5	155.6	-164.2	0	0	113.1	M815 K921	E811-M815 WeakPolarHBondContact O-CB 3.11Å; E811-M815 PolarHBondContact O-N 2.85Å; E811-K921 WeakPolarHBondContact OE1-CD 3.33Å; E811-K921 IonicContact OE1-NZ 3.58Å; E811-K921 PolarHBondContact OE1-NZ 3.45Å; E811-K921 IonicContact OE2-NZ 3.32Å; E811-K921 PolarHBondContact OE2-NZ 3.35Å
812	D	78.7	Confident	86	Confident	65 Å²	65	30.2 Å²	30.2	35%	0.348	17%	0.17	S	C	.	.	H	α-helix	trans	-73.4	-36	176.8	-56.1	-58.9	0	0	0	112.1	T810 M815 L816	T810-D812 VanDerWaalsContact C-N 3.3Å; T810-D812 PolarHBondContact O-N 2.83Å; D812-M815 PolarHBondContact O-N 3.37Å; D812-L816 WeakPolarHBondContact O-CB 3.33Å; D812-L816 WeakPolarHBondContact O-CG 3.44Å; D812-L816 PolarHBondContact O-N 2.94Å
813	Q	82.7	Confident	86.1	Confident	50 Å²	50	29.6 Å²	29.6	23%	0.234	17%	0.168	C	C	.	.	H	α-helix	trans	-67.3	-40.5	172.9	-71.4	171.7	-14.3	0	0	111.9	I720 L809 T810 M815 L816 L817	I720-Q813 HydrophobicContact CG2-CG 4.12Å; L809-Q813 HydrophobicContact CB-CB 4.46Å; L809-Q813 HydrophobicContact CD2-CB 4.19Å; T810-Q813 PolarHBondContact O-N 2.78Å; T810-Q813 VanDerWaalsContact OG1-CG 3.3Å; T810-Q813 WeakPolarHBondContact OG1-CG 3.21Å; T810-Q813 PolarHBondContact OG1-N 2.8Å; Q813-M815 VanDerWaalsContact C-N 3.34Å; Q813-L816 PolarHBondContact O-N 3.25Å; Q813-L817 VanDerWaalsContact O-CB 3.26Å; Q813-L817 WeakPolarHBondContact O-CB 3.24Å; Q813-L817 PolarHBondContact O-N 3.48Å
814	E	86.2	Confident	86.2	Confident	14 Å²	14	31.1 Å²	31.1	7%	0.065	18%	0.175	C	C	.	.	H	α-helix	trans	-60.3	-45.1	173.9	-167.7	-170.2	104.9	0	0	110.2	Y803 T810 A818 R854 R857	Y803-E814 HydrophobicContact CD2-CG 4.09Å; Y803-E814 HydrophobicContact CE2-CG 3.43Å; Y803-E814 VanDerWaalsContact CE2-CG 3.43Å; Y803-E814 WeakPolarHBondContact CE2-O 3.38Å; T810-E814 WeakPolarHBondContact O-CB 3.21Å; T810-E814 PolarHBondContact O-N 3.4Å; E814-A818 WeakPolarHBondContact O-CB 3.28Å; E814-A818 PolarHBondContact O-N 2.85Å; E814-R854 IonicContact OE2-CZ 2.77Å; E814-R854 IonicContact OE2-NE 3.82Å; E814-R854 PolarHBondContact OE2-NE 3.23Å; E814-R854 IonicContact OE2-NH2 3.14Å; E814-R854 PolarHBondContact OE2-NH2 3.07Å; E814-R854 VanDerWaalsContact OE2-NH2 3.1Å; E814-R857 IonicContact OE1-CZ 3.65Å; E814-R857 IonicContact OE1-NH1 3.01Å; E814-R857 PolarHBondContact OE1-NH1 3.37Å; E814-R857 IonicContact OE1-NH2 2.68Å; E814-R857 PolarHBondContact OE1-NH2 3.39Å; E814-R857 IonicContact OE2-NH1 2.7Å
815	M	87	Confident	86.2	Confident	18 Å²	18	31.1 Å²	31.1	9%	0.089	18%	0.175	C	C	.	.	H	α-helix	trans	-64.2	-45.4	176.3	-179.6	164.2	63.5	0	0	113	I727 E811 D812 Q813 A818 N819 V914 H917	I727-M815 HydrophobicContact CD1-CE 3.5Å; E811-M815 WeakPolarHBondContact O-CB 3.11Å; E811-M815 PolarHBondContact O-N 2.85Å; D812-M815 PolarHBondContact O-N 3.37Å; Q813-M815 VanDerWaalsContact C-N 3.34Å; M815-A818 PolarHBondContact O-N 3.19Å; M815-N819 WeakPolarHBondContact O-CB 3.4Å; M815-N819 PolarHBondContact O-N 2.98Å; M815-V914 HydrophobicContact CE-CG1 4.23Å; M815-V914 HydrophobicContact CE-CG2 3.99Å; M815-V914 HydrophobicContact SD-CB 4.27Å; M815-V914 HydrophobicContact SD-CG1 4.2Å; M815-V914 HydrophobicContact SD-CG2 4.03Å; M815-H917 HydrophobicContact CG-CB 4.35Å; M815-H917 HydrophobicContact SD-CB 3.87Å
816	L	85.3	Confident	86.5	Confident	27 Å²	27	31 Å²	31	14%	0.141	17%	0.174	C	C	.	.	H	α-helix	trans	-61.9	-44.6	176	-77.6	167.8	0	0	0	112.1	I720 S723 D812 Q813 N819 F820 L999	I720-L816 HydrophobicContact CG1-CD1 4.45Å; S723-L816 WeakPolarHBondContact OG-CD1 3.33Å; D812-L816 WeakPolarHBondContact O-CB 3.33Å; D812-L816 WeakPolarHBondContact O-CG 3.44Å; D812-L816 PolarHBondContact O-N 2.94Å; Q813-L816 PolarHBondContact O-N 3.25Å; L816-N819 PolarHBondContact O-N 2.96Å; L816-F820 WeakPolarHBondContact O-CB 3.35Å; L816-F820 PolarHBondContact O-N 3.48Å; L816-L999 HydrophobicContact CD2-CD1 4.5Å
817	L	88.5	Confident	86.7	Confident	3 Å²	3	35.3 Å²	35.3	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-61.9	-44.3	177.7	176.9	58.9	0	0	0	111.6	L712 L716 L799 Y803 L809 Q813 F820 I821	L712-L817 HydrophobicContact CD2-CD1 4.44Å; L716-L817 HydrophobicContact CD2-CD1 3.76Å; L799-L817 HydrophobicContact CB-CD1 4.13Å; L799-L817 HydrophobicContact CD2-CD1 3.66Å; L799-L817 HydrophobicContact CG-CD1 4.44Å; Y803-L817 HydrophobicContact CD2-CB 4.46Å; Y803-L817 HydrophobicContact CD2-CD2 4.16Å; Y803-L817 HydrophobicContact CD2-CG 4.16Å; Y803-L817 HydrophobicContact CG-CD2 4.47Å; L809-L817 HydrophobicContact CD1-CD2 3.75Å; Q813-L817 VanDerWaalsContact O-CB 3.26Å; Q813-L817 WeakPolarHBondContact O-CB 3.24Å; Q813-L817 PolarHBondContact O-N 3.48Å; L817-F820 PolarHBondContact O-N 3.45Å; L817-I821 HydrophobicContact CD1-CD1 4.37Å; L817-I821 HydrophobicContact CG-CD1 4.37Å; L817-I821 WeakPolarHBondContact O-CG1 3.42Å; L817-I821 PolarHBondContact O-N 2.95Å; L817-I821 VanDerWaalsContact O-N 3.1Å
818	A	91.5	Very high	87.2	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.4	-45.7	174	0	0	0	0	0	112.6	Y803 E814 M815 F820 I821 I822 L858 L861	Y803-A818 HydrophobicContact CD2-CB 4.16Å; Y803-A818 HydrophobicContact CE2-CB 3.65Å; E814-A818 WeakPolarHBondContact O-CB 3.28Å; E814-A818 PolarHBondContact O-N 2.85Å; M815-A818 PolarHBondContact O-N 3.19Å; A818-F820 VanDerWaalsContact C-N 3.3Å; A818-F820 PolarHBondContact O-N 2.82Å; A818-I821 PolarHBondContact O-N 2.92Å; A818-I822 WeakPolarHBondContact O-CD1 3.39Å; A818-I822 VanDerWaalsContact O-CG1 3.25Å; A818-I822 WeakPolarHBondContact O-CG1 3.38Å; A818-I822 PolarHBondContact O-N 2.98Å; A818-L858 HydrophobicContact CB-CD1 3.8Å; A818-L861 HydrophobicContact CB-CD1 4.29Å
819	N	90.7	Very high	87.7	Confident	18 Å²	18	31.8 Å²	31.8	10%	0.096	17%	0.171	C	C	.	.	H	α-helix	trans	-64	-34.9	178.3	-85.1	2.9	0	0	0	112.3	M815 L816 I822 K823 P911 P912 H917	M815-N819 WeakPolarHBondContact O-CB 3.4Å; M815-N819 PolarHBondContact O-N 2.98Å; L816-N819 PolarHBondContact O-N 2.96Å; N819-I822 PolarHBondContact O-N 3.32Å; N819-K823 WeakPolarHBondContact O-CB 3.5Å; N819-K823 PolarHBondContact O-N 3.46Å; N819-P911 HydrophobicContact CB-CB 3.86Å; N819-P911 HydrophobicContact CB-CG 4.48Å; N819-P912 PolarHBondContact ND2-O 3.37Å; N819-P912 WeakPolarHBondContact OD1-CD 3.45Å; N819-P912 PolarHBondContact OD1-O 3.36Å; N819-H917 PolarHBondContact OD1-NE2 2.9Å
820	F	89.5	Confident	88.1	Confident	22 Å²	22	33.1 Å²	33.1	10%	0.096	19%	0.185	C	C	.	.	H	α-helix	trans	-65	-44.9	173.5	-171.4	-86.5	0	0	0	112.4	P713 L716 M795 L799 L816 L817 A818 I822 K823 Q824	P713-F820 HydrophobicContact CB-CZ 4.38Å; P713-F820 HydrophobicContact CG-CE1 4.3Å; L716-F820 HydrophobicContact CB-CD2 4.13Å; L716-F820 HydrophobicContact CB-CE2 4.21Å; L716-F820 HydrophobicContact CB-CG 4.42Å; L716-F820 HydrophobicContact CD1-CB 4.05Å; L716-F820 HydrophobicContact CD1-CD2 4.25Å; L716-F820 HydrophobicContact CD1-CG 4.24Å; L716-F820 HydrophobicContact CD2-CB 4.09Å; L716-F820 HydrophobicContact CD2-CD1 4.03Å; L716-F820 HydrophobicContact CD2-CD2 4.46Å; L716-F820 HydrophobicContact CD2-CG 3.93Å; L716-F820 HydrophobicContact CG-CG 4.44Å; M795-F820 HydrophobicContact CE-CE1 4.22Å; L799-F820 HydrophobicContact CD1-CD1 3.87Å; L799-F820 HydrophobicContact CD1-CE1 3.94Å; L816-F820 WeakPolarHBondContact O-CB 3.35Å; L816-F820 PolarHBondContact O-N 3.48Å; L817-F820 PolarHBondContact O-N 3.45Å; A818-F820 VanDerWaalsContact C-N 3.3Å; A818-F820 PolarHBondContact O-N 2.82Å; F820-I822 VanDerWaalsContact C-N 3.33Å; F820-I822 PolarHBondContact O-N 3.44Å; F820-K823 PolarHBondContact O-N 2.79Å; F820-Q824 PolarHBondContact O-N 3.29Å
821	I	92.5	Very high	88.5	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-57.9	-46.9	174.2	-69.4	164.4	0	0	0	110.5	L796 L799 I800 L817 A818 Q824 I835 L858	L796-I821 HydrophobicContact CD2-CB 4.4Å; L796-I821 HydrophobicContact CD2-CG2 3.96Å; L799-I821 HydrophobicContact CB-CD1 3.87Å; L799-I821 HydrophobicContact CB-CG1 3.76Å; L799-I821 HydrophobicContact CD1-CG1 4.28Å; I800-I821 HydrophobicContact CG1-CD1 4.23Å; I800-I821 HydrophobicContact CG1-CG2 4.47Å; L817-I821 HydrophobicContact CD1-CD1 4.37Å; L817-I821 HydrophobicContact CG-CD1 4.37Å; L817-I821 WeakPolarHBondContact O-CG1 3.42Å; L817-I821 PolarHBondContact O-N 2.95Å; L817-I821 VanDerWaalsContact O-N 3.1Å; A818-I821 PolarHBondContact O-N 2.92Å; I821-Q824 PolarHBondContact O-N 3.11Å; I821-I835 HydrophobicContact CG2-CG2 4.41Å; I821-L858 HydrophobicContact CD1-CD2 4.15Å
822	I	93.3	Very high	89.1	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-70.1	-34.6	-176.9	-65.1	161.9	0	0	0	111.4	A818 N819 F820 Q824 G825 I826 L858 L861 F866 P912	A818-I822 WeakPolarHBondContact O-CD1 3.39Å; A818-I822 VanDerWaalsContact O-CG1 3.25Å; A818-I822 WeakPolarHBondContact O-CG1 3.38Å; A818-I822 PolarHBondContact O-N 2.98Å; N819-I822 PolarHBondContact O-N 3.32Å; F820-I822 VanDerWaalsContact C-N 3.33Å; F820-I822 PolarHBondContact O-N 3.44Å; I822-Q824 VanDerWaalsContact C-N 3.3Å; I822-Q824 PolarHBondContact O-N 3.35Å; I822-G825 PolarHBondContact O-N 2.85Å; I822-G825 VanDerWaalsContact O-N 3.08Å; I822-I826 HydrophobicContact CG2-CD1 4.05Å; I822-I826 HydrophobicContact CG2-CG1 4.35Å; I822-I826 WeakPolarHBondContact O-CG1 3.25Å; I822-I826 PolarHBondContact O-N 3.23Å; I822-L858 HydrophobicContact CD1-CD1 4.43Å; I822-L861 HydrophobicContact CD1-CB 3.52Å; I822-F866 HydrophobicContact CG2-CD1 4.42Å; I822-F866 HydrophobicContact CG2-CE1 3.95Å; I822-P912 HydrophobicContact CD1-CG 4Å
823	K	89.9	Confident	89.8	Confident	20 Å²	20	25.8 Å²	25.8	9%	0.087	14%	0.143	C	C	.	.	H	α-helix	trans	-57.4	-41.2	174.7	-169.9	66.2	167.5	72.7	0	111.9	N819 F820 G825 I826 D827 P911 L999 S1001	N819-K823 WeakPolarHBondContact O-CB 3.5Å; N819-K823 PolarHBondContact O-N 3.46Å; F820-K823 PolarHBondContact O-N 2.79Å; K823-G825 VanDerWaalsContact C-N 3.32Å; K823-G825 PolarHBondContact O-N 2.89Å; K823-I826 PolarHBondContact O-N 3.46Å; K823-D827 IonicContact NZ-OD1 2.86Å; K823-D827 PolarHBondContact NZ-OD1 3.34Å; K823-D827 IonicContact NZ-OD2 2.62Å; K823-D827 PolarHBondContact NZ-OD2 3.19Å; K823-D827 WeakPolarHBondContact O-CB 3.41Å; K823-D827 VanDerWaalsContact O-CG 3.28Å; K823-D827 PolarHBondContact O-N 2.87Å; K823-P911 HydrophobicContact CB-CG 4Å; K823-P911 HydrophobicContact CD-CG 3.84Å; K823-P911 HydrophobicContact CG-CG 4.49Å; K823-L999 WeakPolarHBondContact CE-O 3.5Å; K823-S1001 WeakPolarHBondContact CE-OG 3.27Å; K823-S1001 PolarHBondContact NZ-OG 3.03Å
824	Q	91.2	Very high	90.3	Very high	32 Å²	32	23.4 Å²	23.4	15%	0.15	13%	0.132	C	C	.	.	H	α-helix	trans	-60.6	-41.5	175.1	-52.8	-51.6	-55.7	0	0	111.9	M795 L796 F820 I821 I822 K828 L831	M795-Q824 HydrophobicContact CE-CG 4.27Å; L796-Q824 HydrophobicContact CD1-CB 4.43Å; L796-Q824 HydrophobicContact CD2-CB 4.09Å; L796-Q824 HydrophobicContact CD2-CG 4.06Å; F820-Q824 PolarHBondContact O-N 3.29Å; I821-Q824 PolarHBondContact O-N 3.11Å; I822-Q824 VanDerWaalsContact C-N 3.3Å; I822-Q824 PolarHBondContact O-N 3.35Å; Q824-K828 WeakPolarHBondContact O-CB 3.34Å; Q824-K828 PolarHBondContact O-N 3.46Å; Q824-L831 HydrophobicContact CB-CD1 4.29Å
825	G	90.2	Very high	90.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-70.5	-33	177.1	0	0	0	0	0	113.7	I822 K823 R832	I822-G825 PolarHBondContact O-N 2.85Å; I822-G825 VanDerWaalsContact O-N 3.08Å; K823-G825 VanDerWaalsContact C-N 3.32Å; K823-G825 PolarHBondContact O-N 2.89Å; G825-R832 VanDerWaalsContact O-CG 3.23Å; G825-R832 WeakPolarHBondContact O-CG 3.17Å; G825-R832 PolarHBondContact O-NE 2.73Å; G825-R832 PolarHBondContact O-NH2 3.12Å
826	I	90.2	Very high	91	Very high	15 Å²	15	21.9 Å²	21.9	8%	0.077	12%	0.124	C	C	.	.	H	α-helix	trans	-63	-58.4	170.6	-70.3	169.4	0	0	0	109.4	I822 K823 K828 R832 F866 R908 H910 P911	I822-I826 HydrophobicContact CG2-CD1 4.05Å; I822-I826 HydrophobicContact CG2-CG1 4.35Å; I822-I826 WeakPolarHBondContact O-CG1 3.25Å; I822-I826 PolarHBondContact O-N 3.23Å; K823-I826 PolarHBondContact O-N 3.46Å; I826-K828 PolarHBondContact O-N 2.97Å; I826-R832 PolarHBondContact O-NH2 2.81Å; I826-F866 HydrophobicContact CG1-CD1 4.08Å; I826-R908 WeakPolarHBondContact CG2-O 3.47Å; I826-H910 WeakPolarHBondContact CD1-O 3.38Å; I826-P911 HydrophobicContact CD1-CG 4.15Å
827	D	88.4	Confident	91.3	Very high	92 Å²	92	20.6 Å²	20.6	49%	0.492	12%	0.118	S	C	.	.	H	α-helix	trans	-65.3	-35.1	-172.7	-66.7	-15.7	0	0	0	112.7	K823	K823-D827 IonicContact NZ-OD1 2.86Å; K823-D827 PolarHBondContact NZ-OD1 3.34Å; K823-D827 IonicContact NZ-OD2 2.62Å; K823-D827 PolarHBondContact NZ-OD2 3.19Å; K823-D827 WeakPolarHBondContact O-CB 3.41Å; K823-D827 VanDerWaalsContact O-CG 3.28Å; K823-D827 PolarHBondContact O-N 2.87Å
828	K	90.2	Very high	91.5	Very high	45 Å²	45	20.4 Å²	20.4	20%	0.196	12%	0.117	C	C	.	.			trans	-124.2	101.4	179.8	-74.5	-175.1	163.5	-161.2	0	112.4	E788 D789 Q792 Q824 I826 A830 L831	E788-K828 WeakPolarHBondContact OE1-CE 3.13Å; E788-K828 IonicContact OE1-NZ 3.64Å; E788-K828 PolarHBondContact OE1-NZ 3.06Å; E788-K828 IonicContact OE2-NZ 2.69Å; E788-K828 PolarHBondContact OE2-NZ 3.33Å; D789-K828 WeakPolarHBondContact OD1-CD 3.41Å; D789-K828 IonicContact OD1-NZ 2.67Å; D789-K828 PolarHBondContact OD1-NZ 3.26Å; Q792-K828 VanDerWaalsContact OE1-CE 3.31Å; Q824-K828 WeakPolarHBondContact O-CB 3.34Å; Q824-K828 PolarHBondContact O-N 3.46Å; I826-K828 PolarHBondContact O-N 2.97Å; K828-A830 PolarHBondContact O-N 3.37Å; K828-A830 VanDerWaalsContact O-N 3.13Å; K828-L831 HydrophobicContact CB-CB 4.47Å; K828-L831 HydrophobicContact CB-CD1 3.89Å; K828-L831 HydrophobicContact CB-CG 3.94Å; K828-L831 HydrophobicContact CD-CD1 3.89Å; K828-L831 HydrophobicContact CD-CG 4.39Å; K828-L831 PolarHBondContact O-N 3.18Å
829	A	89.8	Confident	91.5	Very high	65 Å²	65	20.4 Å²	20.4	54%	0.537	12%	0.117	S	C	.	.	H	α-helix	trans	-55.1	-32.2	175.9	0	0	0	0	0	114	L831 R832	A829-L831 PolarHBondContact O-N 3.47Å; A829-R832 WeakPolarHBondContact O-CG 3.38Å; A829-R832 PolarHBondContact O-N 2.84Å
830	A	90	Very high	91.5	Very high	52 Å²	52	19.8 Å²	19.8	43%	0.43	11%	0.114	S	C	.	.	H	α-helix	trans	-64.2	-17.5	177.6	0	0	0	0	0	114.6	K784 K828	K784-A830 PolarHBondContact NZ-O 3.48Å; K828-A830 PolarHBondContact O-N 3.37Å; K828-A830 VanDerWaalsContact O-N 3.13Å
831	L	92.2	Very high	91.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-93.9	-13.8	178.6	-58.7	-179.3	0	0	0	113.2	D789 Q792 L796 Q824 K828 A829 D833 E834 I835	D789-L831 HydrophobicContact CB-CD2 4.05Å; Q792-L831 HydrophobicContact CB-CD1 4.01Å; L796-L831 HydrophobicContact CD1-CB 4.12Å; L796-L831 HydrophobicContact CD1-CD1 3.93Å; L796-L831 HydrophobicContact CD1-CD2 4.49Å; L796-L831 HydrophobicContact CD1-CG 4.41Å; Q824-L831 HydrophobicContact CB-CD1 4.29Å; K828-L831 HydrophobicContact CB-CB 4.47Å; K828-L831 HydrophobicContact CB-CD1 3.89Å; K828-L831 HydrophobicContact CB-CG 3.94Å; K828-L831 HydrophobicContact CD-CD1 3.89Å; K828-L831 HydrophobicContact CD-CG 4.39Å; K828-L831 PolarHBondContact O-N 3.18Å; A829-L831 PolarHBondContact O-N 3.47Å; L831-D833 PolarHBondContact O-N 3.02Å; L831-E834 WeakPolarHBondContact O-CB 3.42Å; L831-E834 PolarHBondContact O-N 3.16Å; L831-I835 WeakPolarHBondContact O-CG1 3.45Å; L831-I835 PolarHBondContact O-N 2.55Å
832	R	93.7	Very high	91.1	Very high	43 Å²	43	19.4 Å²	19.4	16%	0.162	11%	0.113	C	C	.	.	H	α-helix	trans	-59.3	-52.1	-174.3	-64.5	177.9	-175.6	169.8	9.8	112.6	G825 I826 A829 E834 I835 Y836 F866 C907	G825-R832 VanDerWaalsContact O-CG 3.23Å; G825-R832 WeakPolarHBondContact O-CG 3.17Å; G825-R832 PolarHBondContact O-NE 2.73Å; G825-R832 PolarHBondContact O-NH2 3.12Å; I826-R832 PolarHBondContact O-NH2 2.81Å; A829-R832 WeakPolarHBondContact O-CG 3.38Å; A829-R832 PolarHBondContact O-N 2.84Å; R832-E834 VanDerWaalsContact C-N 3.25Å; R832-E834 PolarHBondContact O-N 3.37Å; R832-I835 PolarHBondContact O-N 3.24Å; R832-Y836 VanDerWaalsContact O-CD2 3.28Å; R832-Y836 WeakPolarHBondContact O-CD2 3.36Å; R832-Y836 PolarHBondContact O-N 3.39Å; R832-F866 HydrophobicContact CB-CD2 3.74Å; R832-F866 HydrophobicContact CB-CE2 3.78Å; R832-F866 HydrophobicContact CG-CB 4.49Å; R832-F866 HydrophobicContact CG-CD2 3.49Å; R832-F866 VanDerWaalsContact CG-CD2 3.49Å; R832-F866 HydrophobicContact CG-CE2 3.75Å; R832-F866 HydrophobicContact CG-CG 3.94Å; R832-F866 HydrophobicContact CG-CZ 4.38Å; R832-C907 VanDerWaalsContact CZ-SG 3.51Å; R832-C907 PolarHBondContact NH2-SG 3.02Å
833	D	92.9	Very high	90.9	Very high	25 Å²	25	19.8 Å²	19.8	13%	0.134	12%	0.115	C	C	.	.	H	α-helix	trans	-65.7	-30.1	179.4	-75	14.4	0	0	0	112.2	L782 L831 A837 P868 S869 M872	L782-D833 HydrophobicContact CD1-CB 3.61Å; L831-D833 PolarHBondContact O-N 3.02Å; D833-A837 WeakPolarHBondContact O-CB 3.36Å; D833-A837 PolarHBondContact O-N 3.26Å; D833-P868 WeakPolarHBondContact OD1-CA 3.32Å; D833-S869 PolarHBondContact OD1-N 2.8Å; D833-S869 WeakPolarHBondContact OD2-CB 3.31Å; D833-S869 PolarHBondContact OD2-OG 2.82Å; D833-M872 HydrophobicContact CB-SD 3.5Å; D833-M872 WeakPolarHBondContact CB-SD 3.28Å; D833-M872 VanDerWaalsContact CG-SD 3.53Å; D833-M872 WeakPolarHBondContact OD2-CB 3.25Å
834	E	93	Very high	90.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-68.3	-46.5	174.1	-171.7	74.6	-156.2	0	0	110.7	P780 F781 L782 K784 L831 R832 Y836 A837 Q838	P780-E834 WeakPolarHBondContact CA-OE1 3.25Å; F781-E834 PolarHBondContact N-OE1 3.22Å; L782-E834 WeakPolarHBondContact CB-OE2 3.4Å; L782-E834 PolarHBondContact N-OE2 3.23Å; K784-E834 WeakPolarHBondContact CE-OE2 3.32Å; K784-E834 IonicContact NZ-OE2 2.72Å; L831-E834 WeakPolarHBondContact O-CB 3.42Å; L831-E834 PolarHBondContact O-N 3.16Å; R832-E834 VanDerWaalsContact C-N 3.25Å; R832-E834 PolarHBondContact O-N 3.37Å; E834-Y836 VanDerWaalsContact C-N 3.33Å; E834-Y836 PolarHBondContact O-N 2.92Å; E834-A837 PolarHBondContact O-N 3.04Å; E834-Q838 HydrophobicContact CG-CG 4.26Å; E834-Q838 VanDerWaalsContact CG-NE2 3.33Å; E834-Q838 WeakPolarHBondContact O-CB 3.21Å; E834-Q838 VanDerWaalsContact O-CG 3.23Å; E834-Q838 WeakPolarHBondContact O-CG 3.48Å; E834-Q838 PolarHBondContact O-N 3.43Å; E834-Q838 PolarHBondContact OE1-NE2 2.76Å
835	I	94.4	Very high	90	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58.3	-45.9	176.1	-66.9	164.9	0	0	0	110.3	L796 I821 L831 R832 Q838 I839 F866	L796-I835 HydrophobicContact CD1-CD1 4.04Å; L796-I835 HydrophobicContact CD1-CG1 3.82Å; L796-I835 HydrophobicContact CD2-CD1 4.16Å; L796-I835 HydrophobicContact CD2-CG1 4.17Å; L796-I835 HydrophobicContact CG-CG1 4.49Å; I821-I835 HydrophobicContact CG2-CG2 4.41Å; L831-I835 WeakPolarHBondContact O-CG1 3.45Å; L831-I835 PolarHBondContact O-N 2.55Å; R832-I835 PolarHBondContact O-N 3.24Å; I835-Q838 PolarHBondContact O-N 3.13Å; I835-I839 HydrophobicContact CG2-CD1 3.72Å; I835-I839 HydrophobicContact CG2-CG1 4.5Å; I835-I839 VanDerWaalsContact O-CG1 3.24Å; I835-I839 WeakPolarHBondContact O-CG1 3.4Å; I835-I839 PolarHBondContact O-N 3.1Å; I835-F866 HydrophobicContact CD1-CZ 4.02Å; I835-F866 HydrophobicContact CG2-CZ 4.44Å
836	Y	94.3	Very high	89.5	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.4	-45.4	175.1	-81.7	-72.2	0	0	0	112.5	R832 E834 Q838 I839 V840 M859 C862 S863 F866 P868 I876	R832-Y836 VanDerWaalsContact O-CD2 3.28Å; R832-Y836 WeakPolarHBondContact O-CD2 3.36Å; R832-Y836 PolarHBondContact O-N 3.39Å; E834-Y836 VanDerWaalsContact C-N 3.33Å; E834-Y836 PolarHBondContact O-N 2.92Å; Y836-Q838 PolarHBondContact O-N 2.96Å; Y836-I839 PolarHBondContact O-N 2.68Å; Y836-V840 VanDerWaalsContact O-CG2 3.27Å; Y836-V840 WeakPolarHBondContact O-CG2 3.47Å; Y836-V840 PolarHBondContact O-N 3.49Å; Y836-M859 HydrophobicContact CD1-CG 4.2Å; Y836-M859 HydrophobicContact CE1-CG 4.01Å; Y836-C862 HydrophobicContact CE1-CB 4.28Å; Y836-S863 WeakPolarHBondContact OH-CA 3.41Å; Y836-S863 WeakPolarHBondContact OH-CB 3.47Å; Y836-S863 PolarHBondContact OH-N 2.79Å; Y836-S863 VanDerWaalsContact OH-N 3.12Å; Y836-F866 HydrophobicContact CD2-CE2 4.19Å; Y836-F866 AromaticContact CE2-CD2 3.8Å; Y836-F866 HydrophobicContact CE2-CD2 3.8Å; Y836-F866 AromaticContact CE2-CE2 3.65Å; Y836-F866 HydrophobicContact CE2-CE2 3.65Å; Y836-F866 PolarHBondContact OH-O 3.03Å; Y836-P868 HydrophobicContact CD2-CB 3.69Å; Y836-P868 HydrophobicContact CD2-CG 4.35Å; Y836-P868 HydrophobicContact CE2-CB 3.96Å; Y836-P868 HydrophobicContact CE2-CG 4.26Å; Y836-P868 HydrophobicContact CG-CB 4.28Å; Y836-I876 HydrophobicContact CD1-CD1 4.24Å; Y836-I876 HydrophobicContact CD1-CG2 4.3Å; Y836-I876 HydrophobicContact CG-CD1 4.45Å
837	A	91	Very high	88.8	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.6	-44	178.7	0	0	0	0	0	112.3	F765 F781 D833 E834 V840 N841 M872	F765-A837 HydrophobicContact CE1-CB 3.95Å; F765-A837 HydrophobicContact CZ-CB 3.68Å; F781-A837 HydrophobicContact CD2-CB 4.07Å; D833-A837 WeakPolarHBondContact O-CB 3.36Å; D833-A837 PolarHBondContact O-N 3.26Å; E834-A837 PolarHBondContact O-N 3.04Å; A837-V840 PolarHBondContact O-N 2.96Å; A837-N841 PolarHBondContact O-N 3.01Å; A837-N841 VanDerWaalsContact O-N 3.15Å; A837-M872 HydrophobicContact CB-CE 3.96Å
838	Q	91.8	Very high	88.5	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.1	-43.4	178.9	-70.1	-177.5	5.9	0	0	111.9	F781 S793 F797 I800 E834 I835 Y836 N841 Q842	F781-Q838 HydrophobicContact CD2-CG 3.98Å; F781-Q838 HydrophobicContact CE2-CB 4.47Å; F781-Q838 HydrophobicContact CE2-CG 4.08Å; S793-Q838 PolarHBondContact O-NE2 2.83Å; F797-Q838 HydrophobicContact CD2-CB 4.04Å; F797-Q838 HydrophobicContact CD2-CG 3.82Å; I800-Q838 HydrophobicContact CD1-CB 3.86Å; E834-Q838 HydrophobicContact CG-CG 4.26Å; E834-Q838 VanDerWaalsContact CG-NE2 3.33Å; E834-Q838 WeakPolarHBondContact O-CB 3.21Å; E834-Q838 VanDerWaalsContact O-CG 3.23Å; E834-Q838 WeakPolarHBondContact O-CG 3.48Å; E834-Q838 PolarHBondContact O-N 3.43Å; E834-Q838 PolarHBondContact OE1-NE2 2.76Å; I835-Q838 PolarHBondContact O-N 3.13Å; Y836-Q838 PolarHBondContact O-N 2.96Å; Q838-N841 PolarHBondContact O-N 3.45Å; Q838-Q842 WeakPolarHBondContact O-CG 3.43Å; Q838-Q842 PolarHBondContact O-N 2.87Å
839	I	92.2	Very high	88.1	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-67.4	-40.6	176.4	-59.6	163.6	0	0	0	111.1	I800 I835 Y836 N841 Q842 V843 G855 L858 M859	I800-I839 HydrophobicContact CD1-CG1 4.03Å; I800-I839 HydrophobicContact CG1-CG1 4.41Å; I800-I839 HydrophobicContact CG2-CG1 4.28Å; I835-I839 HydrophobicContact CG2-CD1 3.72Å; I835-I839 HydrophobicContact CG2-CG1 4.5Å; I835-I839 VanDerWaalsContact O-CG1 3.24Å; I835-I839 WeakPolarHBondContact O-CG1 3.4Å; I835-I839 PolarHBondContact O-N 3.1Å; Y836-I839 PolarHBondContact O-N 2.68Å; I839-N841 VanDerWaalsContact C-N 3.34Å; I839-N841 PolarHBondContact O-N 2.89Å; I839-Q842 PolarHBondContact O-N 3.33Å; I839-V843 HydrophobicContact CG2-CG1 4.35Å; I839-V843 PolarHBondContact O-N 3.22Å; I839-V843 VanDerWaalsContact O-N 3.1Å; I839-G855 WeakPolarHBondContact CG2-O 3.39Å; I839-L858 HydrophobicContact CD1-CB 4.37Å; I839-L858 HydrophobicContact CD1-CD2 3.89Å; I839-L858 HydrophobicContact CD1-CG 3.8Å; I839-L858 HydrophobicContact CG1-CD2 4.14Å; I839-M859 HydrophobicContact CB-CE 4.23Å; I839-M859 HydrophobicContact CG2-CB 4.13Å; I839-M859 HydrophobicContact CG2-CE 3.87Å
840	V	90.4	Very high	87.8	Confident	4 Å²	4	36 Å²	36	2%	0.024	19%	0.194	C	C	.	.	H	α-helix	trans	-55.3	-48.3	175.9	167.8	0	0	0	0	111.3	F757 Y836 A837 Q842 V843 H844 M859 I876 F879	F757-V840 HydrophobicContact CD1-CG1 3.84Å; F757-V840 HydrophobicContact CE1-CB 4.18Å; F757-V840 HydrophobicContact CE1-CG1 3.38Å; F757-V840 HydrophobicContact CE2-CG1 4.4Å; F757-V840 HydrophobicContact CE2-CG2 4.29Å; F757-V840 HydrophobicContact CZ-CB 4.02Å; F757-V840 HydrophobicContact CZ-CG1 3.71Å; F757-V840 HydrophobicContact CZ-CG2 4.13Å; Y836-V840 VanDerWaalsContact O-CG2 3.27Å; Y836-V840 WeakPolarHBondContact O-CG2 3.47Å; Y836-V840 PolarHBondContact O-N 3.49Å; A837-V840 PolarHBondContact O-N 2.96Å; V840-Q842 PolarHBondContact O-N 3.39Å; V840-Q842 VanDerWaalsContact O-N 3.14Å; V840-V843 PolarHBondContact O-N 3.33Å; V840-V843 VanDerWaalsContact O-N 3.16Å; V840-H844 WeakPolarHBondContact O-CB 3.39Å; V840-H844 PolarHBondContact O-N 2.92Å; V840-M859 HydrophobicContact CG2-CE 3.64Å; V840-I876 HydrophobicContact CG2-CD1 3.49Å; V840-I876 VanDerWaalsContact CG2-CD1 3.49Å; V840-F879 HydrophobicContact CB-CE1 4.28Å; V840-F879 HydrophobicContact CB-CZ 4.47Å; V840-F879 HydrophobicContact CG1-CD1 4.25Å; V840-F879 HydrophobicContact CG1-CD2 4.22Å; V840-F879 HydrophobicContact CG1-CE1 3.86Å; V840-F879 HydrophobicContact CG1-CE2 3.82Å; V840-F879 HydrophobicContact CG1-CG 4.43Å; V840-F879 HydrophobicContact CG1-CZ 3.64Å; V840-F879 HydrophobicContact CG2-CD1 3.87Å; V840-F879 HydrophobicContact CG2-CE1 3.83Å; V840-F879 HydrophobicContact CG2-CZ 4.47Å
841	N	87.2	Confident	87.6	Confident	13 Å²	13	34.5 Å²	34.5	7%	0.07	18%	0.178	C	C	.	.	H	α-helix	trans	-62.3	-21	178.4	-160.5	124.1	0	0	0	112.9	T769 G772 F781 A837 Q838 I839	T769-N841 PolarHBondContact O-OD1 3.17Å; T769-N841 PolarHBondContact OG1-OD1 3.35Å; G772-N841 WeakPolarHBondContact CA-O 3.46Å; F781-N841 HydrophobicContact CE2-CB 3.54Å; F781-N841 HydrophobicContact CZ-CB 3.93Å; F781-N841 WeakPolarHBondContact CZ-OD1 3.22Å; A837-N841 PolarHBondContact O-N 3.01Å; A837-N841 VanDerWaalsContact O-N 3.15Å; Q838-N841 PolarHBondContact O-N 3.45Å; I839-N841 VanDerWaalsContact C-N 3.34Å; I839-N841 PolarHBondContact O-N 2.89Å
842	Q	87.1	Confident	87.4	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.009	18%	0.18	C	C	.	.	H	α-helix	trans	-93	-18	178.3	-64.5	-64.5	-31.4	0	0	113.8	L773 I800 M804 Q838 I839 V840 N846	L773-Q842 PolarHBondContact O-NE2 3.09Å; I800-Q842 HydrophobicContact CG2-CG 4.23Å; M804-Q842 HydrophobicContact CE-CB 3.45Å; M804-Q842 VanDerWaalsContact CE-CB 3.45Å; M804-Q842 WeakPolarHBondContact CE-O 3.33Å; M804-Q842 HydrophobicContact SD-CB 3.43Å; M804-Q842 WeakPolarHBondContact SD-CB 3.39Å; M804-Q842 HydrophobicContact SD-CG 4.1Å; Q838-Q842 WeakPolarHBondContact O-CG 3.43Å; Q838-Q842 PolarHBondContact O-N 2.87Å; I839-Q842 PolarHBondContact O-N 3.33Å; V840-Q842 PolarHBondContact O-N 3.39Å; V840-Q842 VanDerWaalsContact O-N 3.14Å; Q842-N846 WeakPolarHBondContact O-CB 3.33Å; Q842-N846 PolarHBondContact O-ND2 3.38Å
843	V	88.9	Confident	87.1	Confident	7 Å²	7	34.9 Å²	34.9	4%	0.042	18%	0.184	C	C	.	.	H	α-helix	trans	-103.8	-22.7	176.6	-59.3	0	0	0	0	113.8	M804 I839 V840 E845 W856 F879	M804-V843 HydrophobicContact CE-CG1 3.98Å; I839-V843 HydrophobicContact CG2-CG1 4.35Å; I839-V843 PolarHBondContact O-N 3.22Å; I839-V843 VanDerWaalsContact O-N 3.1Å; V840-V843 PolarHBondContact O-N 3.33Å; V840-V843 VanDerWaalsContact O-N 3.16Å; V843-E845 PolarHBondContact O-N 2.93Å; V843-W856 HydrophobicContact CB-CD2 4.23Å; V843-W856 HydrophobicContact CB-CH2 4.37Å; V843-W856 HydrophobicContact CB-CZ2 3.77Å; V843-W856 HydrophobicContact CG1-CD2 4.23Å; V843-W856 HydrophobicContact CG1-CG 4.39Å; V843-W856 HydrophobicContact CG2-CD2 4.25Å; V843-W856 HydrophobicContact CG2-CE3 4.28Å; V843-W856 HydrophobicContact CG2-CH2 3.63Å; V843-W856 HydrophobicContact CG2-CZ2 3.54Å; V843-W856 HydrophobicContact CG2-CZ3 4Å; V843-F879 HydrophobicContact CG2-CE1 4.01Å; V843-F879 HydrophobicContact CG2-CZ 4.17Å
844	H	83.6	Confident	87	Confident	54 Å²	54	35.1 Å²	35.1	25%	0.25	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	124.1	175.8	-172.6	63.9	0	0	0	110.7	V840 N846 F879	V840-H844 WeakPolarHBondContact O-CB 3.39Å; V840-H844 PolarHBondContact O-N 2.92Å; H844-N846 PolarHBondContact O-N 2.78Å; H844-F879 HydrophobicContact CB-CE2 4.39Å; H844-F879 HydrophobicContact CB-CZ 4.24Å; H844-F879 AromaticContact ND1-CE2 3.78Å
845	E	78.3	Confident	87	Confident	167 Å²	167	35.1 Å²	35.1	78%	0.78	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.6	25.1	-179.2	-54.7	-159.2	159.5	0	0	116.1	V843 P847	V843-E845 PolarHBondContact O-N 2.93Å; E845-P847 VanDerWaalsContact O-CD 3.31Å; E845-P847 WeakPolarHBondContact O-CD 3.26Å
846	N	79.3	Confident	86.9	Confident	17 Å²	17	35.6 Å²	35.6	9%	0.091	19%	0.185	C	C	.	.			trans	-70.4	118.2	-176.4	-171.8	-19.6	0	0	0	111.2	R774 Q842 H844 N848 A852	R774-N846 PolarHBondContact NH2-OD1 3.02Å; Q842-N846 WeakPolarHBondContact O-CB 3.33Å; Q842-N846 PolarHBondContact O-ND2 3.38Å; H844-N846 PolarHBondContact O-N 2.78Å; N846-N848 PolarHBondContact O-N 3.14Å; N846-N848 PolarHBondContact OD1-N 3.14Å; N846-N848 VanDerWaalsContact OD1-N 3.08Å; N846-A852 HydrophobicContact CB-CB 4.38Å
847	P	76.6	Confident	86.8	Confident	88 Å²	88	36.3 Å²	36.3	57%	0.571	19%	0.187	S	C	*	.	S	Bend	trans	-71	-15.5	-175.7	28.3	-35.9	0	0	0	113.8	M703 E845	M703-P847 HydrophobicContact CE-CG 3.84Å; M703-P847 HydrophobicContact SD-CG 4.08Å; E845-P847 VanDerWaalsContact O-CD 3.31Å; E845-P847 WeakPolarHBondContact O-CD 3.26Å
848	N	82.2	Confident	87	Confident	43 Å²	43	36.3 Å²	36.3	23%	0.23	19%	0.187	C	C	.	.			trans	-96.4	99.5	175.4	-176.5	-11.9	0	0	0	110.7	N846 V850 N851 A852	N846-N848 PolarHBondContact O-N 3.14Å; N846-N848 PolarHBondContact OD1-N 3.14Å; N846-N848 VanDerWaalsContact OD1-N 3.08Å; N848-V850 VanDerWaalsContact C-N 3.26Å; N848-V850 PolarHBondContact O-N 3.12Å; N848-V850 PolarHBondContact OD1-N 2.89Å; N848-N851 HydrophobicContact CB-CB 4.27Å; N848-N851 PolarHBondContact ND2-ND2 2.59Å; N848-N851 PolarHBondContact ND2-OD1 2.78Å; N848-N851 PolarHBondContact O-N 3.41Å; N848-N851 PolarHBondContact OD1-N 3.31Å; N848-A852 WeakPolarHBondContact O-CB 3.43Å; N848-A852 PolarHBondContact O-N 3.01Å
849	Q	81.9	Confident	87.1	Confident	142 Å²	142	36.3 Å²	36.3	66%	0.664	19%	0.187	S	C	*	.	H	α-helix	trans	-59.2	-29.2	-179.8	-68.5	-66.9	-19.4	0	0	114.2	D853	Q849-D853 WeakPolarHBondContact O-CB 3.48Å; Q849-D853 PolarHBondContact O-N 3.17Å
850	V	83.6	Confident	87.1	Confident	100 Å²	100	36.3 Å²	36.3	61%	0.606	19%	0.187	S	C	*	.	H	α-helix	trans	-70.9	-43.1	178.1	-178.7	0	0	0	0	110.6	N848 A852 D853 R854	N848-V850 VanDerWaalsContact C-N 3.26Å; N848-V850 PolarHBondContact O-N 3.12Å; N848-V850 PolarHBondContact OD1-N 2.89Å; V850-A852 VanDerWaalsContact C-N 3.34Å; V850-D853 PolarHBondContact O-N 2.94Å; V850-R854 PolarHBondContact O-N 2.83Å
851	N	86.3	Confident	87.3	Confident	20 Å²	20	36.1 Å²	36.1	11%	0.107	19%	0.186	C	C	.	.	H	α-helix	trans	-71.5	-35.4	178.2	-61.3	23.1	0	0	0	109.9	M804 N805 N848 R854 G855	M804-N851 VanDerWaalsContact CE-O 3.23Å; M804-N851 WeakPolarHBondContact CE-O 3.15Å; M804-N851 WeakPolarHBondContact O-CA 3.49Å; M804-N851 VanDerWaalsContact O-CB 3.27Å; M804-N851 WeakPolarHBondContact O-CB 3.06Å; M804-N851 PolarHBondContact O-ND2 2.81Å; N805-N851 PolarHBondContact OD1-ND2 2.97Å; N848-N851 HydrophobicContact CB-CB 4.27Å; N848-N851 PolarHBondContact ND2-ND2 2.59Å; N848-N851 PolarHBondContact ND2-OD1 2.78Å; N848-N851 PolarHBondContact O-N 3.41Å; N848-N851 PolarHBondContact OD1-N 3.31Å; N851-R854 WeakPolarHBondContact O-CB 3.37Å; N851-R854 PolarHBondContact O-N 2.76Å; N851-G855 PolarHBondContact O-N 3.32Å; N851-G855 VanDerWaalsContact O-N 3.08Å
852	A	87	Confident	87.6	Confident	4 Å²	4	35.5 Å²	35.5	3%	0.033	18%	0.183	C	C	.	.	H	α-helix	trans	-63.8	-46.1	172.3	0	0	0	0	0	112.8	N846 N848 V850 R854 G855 W856	N846-A852 HydrophobicContact CB-CB 4.38Å; N848-A852 WeakPolarHBondContact O-CB 3.43Å; N848-A852 PolarHBondContact O-N 3.01Å; V850-A852 VanDerWaalsContact C-N 3.34Å; A852-R854 VanDerWaalsContact C-N 3.3Å; A852-R854 PolarHBondContact O-N 3.01Å; A852-G855 WeakPolarHBondContact O-CA 3.5Å; A852-G855 PolarHBondContact O-N 3.33Å; A852-W856 PolarHBondContact O-N 3.06Å
853	D	88.3	Confident	87.8	Confident	46 Å²	46	35.4 Å²	35.4	25%	0.246	18%	0.183	C	C	.	.	H	α-helix	trans	-56.2	-43.7	176.1	-176.3	102.5	0	0	0	111	Q849 V850 G855 W856 R857 F888 K923	Q849-D853 WeakPolarHBondContact O-CB 3.48Å; Q849-D853 PolarHBondContact O-N 3.17Å; V850-D853 PolarHBondContact O-N 2.94Å; D853-G855 PolarHBondContact O-N 2.93Å; D853-W856 PolarHBondContact O-N 3.33Å; D853-R857 VanDerWaalsContact O-CG 3.31Å; D853-R857 WeakPolarHBondContact O-CG 3.37Å; D853-R857 PolarHBondContact O-N 3.28Å; D853-R857 WeakPolarHBondContact OD2-CD 3.3Å; D853-F888 VanDerWaalsContact OD1-CE2 3.31Å; D853-F888 WeakPolarHBondContact OD1-CE2 3.32Å; D853-K923 IonicContact OD1-NZ 3.89Å; D853-K923 PolarHBondContact OD1-NZ 3Å
854	R	91	Very high	87.9	Confident	31 Å²	31	35.1 Å²	35.1	12%	0.117	18%	0.181	C	C	.	.	H	α-helix	trans	-56.2	-49.8	170.2	-75.3	-178.9	159.3	-167.4	4.2	112.2	Y803 D806 E814 V850 N851 A852 W856 R857 L858	Y803-R854 HydrophobicContact CD1-CB 4.41Å; Y803-R854 HydrophobicContact CE1-CB 3.95Å; Y803-R854 WeakPolarHBondContact CE1-O 3.28Å; Y803-R854 WeakPolarHBondContact O-CD 3.26Å; Y803-R854 PolarHBondContact O-NH1 3.13Å; D806-R854 PolarHBondContact O-NH1 2.93Å; E814-R854 IonicContact OE2-CZ 2.77Å; E814-R854 IonicContact OE2-NE 3.82Å; E814-R854 PolarHBondContact OE2-NE 3.23Å; E814-R854 IonicContact OE2-NH2 3.14Å; E814-R854 PolarHBondContact OE2-NH2 3.07Å; E814-R854 VanDerWaalsContact OE2-NH2 3.1Å; V850-R854 PolarHBondContact O-N 2.83Å; N851-R854 WeakPolarHBondContact O-CB 3.37Å; N851-R854 PolarHBondContact O-N 2.76Å; A852-R854 VanDerWaalsContact C-N 3.3Å; A852-R854 PolarHBondContact O-N 3.01Å; R854-W856 VanDerWaalsContact C-N 3.32Å; R854-W856 PolarHBondContact O-N 2.99Å; R854-R857 WeakPolarHBondContact O-CB 3.25Å; R854-R857 PolarHBondContact O-N 2.66Å; R854-R857 VanDerWaalsContact O-N 3.14Å; R854-L858 PolarHBondContact O-N 2.82Å
855	G	91.6	Very high	88.2	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.1	-42.8	176.6	0	0	0	0	0	113.5	I839 N851 A852 D853 L858 M859	I839-G855 WeakPolarHBondContact CG2-O 3.39Å; N851-G855 PolarHBondContact O-N 3.32Å; N851-G855 VanDerWaalsContact O-N 3.08Å; A852-G855 WeakPolarHBondContact O-CA 3.5Å; A852-G855 PolarHBondContact O-N 3.33Å; D853-G855 PolarHBondContact O-N 2.93Å; G855-L858 PolarHBondContact O-N 2.91Å; G855-M859 PolarHBondContact O-N 3.45Å
856	W	92.9	Very high	88.9	Confident	9 Å²	9	24.6 Å²	24.6	3%	0.034	13%	0.131	C	C	.	.	H	α-helix	trans	-66	-37.4	175.2	-66.4	118.9	0	0	0	112.7	V843 A852 D853 R854 M859 T860 F879 T883 C885 F888 I892	V843-W856 HydrophobicContact CB-CD2 4.23Å; V843-W856 HydrophobicContact CB-CH2 4.37Å; V843-W856 HydrophobicContact CB-CZ2 3.77Å; V843-W856 HydrophobicContact CG1-CD2 4.23Å; V843-W856 HydrophobicContact CG1-CG 4.39Å; V843-W856 HydrophobicContact CG2-CD2 4.25Å; V843-W856 HydrophobicContact CG2-CE3 4.28Å; V843-W856 HydrophobicContact CG2-CH2 3.63Å; V843-W856 HydrophobicContact CG2-CZ2 3.54Å; V843-W856 HydrophobicContact CG2-CZ3 4Å; A852-W856 PolarHBondContact O-N 3.06Å; D853-W856 PolarHBondContact O-N 3.33Å; R854-W856 VanDerWaalsContact C-N 3.32Å; R854-W856 PolarHBondContact O-N 2.99Å; W856-M859 HydrophobicContact CE3-SD 4.22Å; W856-M859 HydrophobicContact CZ3-CE 4.36Å; W856-M859 HydrophobicContact CZ3-SD 3.99Å; W856-M859 PolarHBondContact O-N 3.32Å; W856-T860 WeakPolarHBondContact O-CB 3.31Å; W856-T860 PolarHBondContact O-N 3.07Å; W856-T860 PolarHBondContact O-OG1 2.69Å; W856-F879 HydrophobicContact CH2-CD1 4.25Å; W856-F879 AromaticContact CH2-CE1 3.47Å; W856-F879 HydrophobicContact CH2-CE1 3.47Å; W856-F879 VanDerWaalsContact CH2-CE1 3.47Å; W856-F879 HydrophobicContact CH2-CZ 4.09Å; W856-F879 HydrophobicContact CZ2-CE1 4.45Å; W856-F879 AromaticContact CZ3-CE1 3.98Å; W856-F879 HydrophobicContact CZ3-CE1 3.98Å; W856-T883 HydrophobicContact CH2-CG2 3.78Å; W856-T883 HydrophobicContact CZ2-CG2 3.66Å; W856-C885 HydrophobicContact CD2-CB 3.53Å; W856-C885 HydrophobicContact CE3-CB 3.91Å; W856-C885 HydrophobicContact CG-CB 4.03Å; W856-C885 HydrophobicContact CH2-CB 3.95Å; W856-C885 HydrophobicContact CZ2-CB 3.62Å; W856-C885 HydrophobicContact CZ3-CB 4.1Å; W856-F888 HydrophobicContact CB-CB 4.19Å; W856-F888 HydrophobicContact CB-CD2 3.42Å; W856-F888 VanDerWaalsContact CB-CD2 3.42Å; W856-F888 HydrophobicContact CB-CE2 3.93Å; W856-F888 HydrophobicContact CB-CG 3.85Å; W856-F888 HydrophobicContact CG-CD2 4.2Å; W856-I892 HydrophobicContact CE3-CD1 3.78Å; W856-I892 HydrophobicContact CZ3-CD1 4.33Å
857	R	92.4	Very high	89.4	Confident	15 Å²	15	24.3 Å²	24.3	6%	0.057	13%	0.131	C	C	.	.	H	α-helix	trans	-61.1	-45.9	171.8	-71.6	172.4	59.4	-133.9	-12.3	111.1	E814 D853 R854 M859 T860 L861 F888 I920	E814-R857 IonicContact OE1-CZ 3.65Å; E814-R857 IonicContact OE1-NH1 3.01Å; E814-R857 PolarHBondContact OE1-NH1 3.37Å; E814-R857 IonicContact OE1-NH2 2.68Å; E814-R857 PolarHBondContact OE1-NH2 3.39Å; E814-R857 IonicContact OE2-NH1 2.7Å; D853-R857 VanDerWaalsContact O-CG 3.31Å; D853-R857 WeakPolarHBondContact O-CG 3.37Å; D853-R857 PolarHBondContact O-N 3.28Å; D853-R857 WeakPolarHBondContact OD2-CD 3.3Å; R854-R857 WeakPolarHBondContact O-CB 3.25Å; R854-R857 PolarHBondContact O-N 2.66Å; R854-R857 VanDerWaalsContact O-N 3.14Å; R857-M859 PolarHBondContact O-N 3.49Å; R857-T860 WeakPolarHBondContact O-CB 3.44Å; R857-T860 PolarHBondContact O-N 2.99Å; R857-L861 WeakPolarHBondContact O-CD1 3.45Å; R857-L861 WeakPolarHBondContact O-CG 3.19Å; R857-L861 PolarHBondContact O-N 3.07Å; R857-F888 HydrophobicContact CB-CZ 4.49Å; R857-F888 HydrophobicContact CG-CE1 3.67Å; R857-F888 HydrophobicContact CG-CE2 4.11Å; R857-F888 HydrophobicContact CG-CZ 3.27Å; R857-I920 HydrophobicContact CB-CG2 4.36Å; R857-I920 HydrophobicContact CG-CG2 4.31Å
858	L	94.3	Very high	90.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63	-40.5	176.8	-170.9	61.6	0	0	0	112.3	I800 Y803 A818 I821 I822 I839 R854 G855 T860 L861 C862	I800-L858 HydrophobicContact CG1-CD2 4.05Å; Y803-L858 HydrophobicContact CD1-CB 4.18Å; Y803-L858 HydrophobicContact CD1-CD2 3.96Å; Y803-L858 HydrophobicContact CE1-CB 3.81Å; Y803-L858 HydrophobicContact CE1-CD2 4.41Å; Y803-L858 HydrophobicContact CE1-CG 4.49Å; Y803-L858 HydrophobicContact CG-CD2 4.35Å; A818-L858 HydrophobicContact CB-CD1 3.8Å; I821-L858 HydrophobicContact CD1-CD2 4.15Å; I822-L858 HydrophobicContact CD1-CD1 4.43Å; I839-L858 HydrophobicContact CD1-CB 4.37Å; I839-L858 HydrophobicContact CD1-CD2 3.89Å; I839-L858 HydrophobicContact CD1-CG 3.8Å; I839-L858 HydrophobicContact CG1-CD2 4.14Å; R854-L858 PolarHBondContact O-N 2.82Å; G855-L858 PolarHBondContact O-N 2.91Å; L858-T860 VanDerWaalsContact C-N 3.35Å; L858-L861 PolarHBondContact O-N 3.33Å; L858-C862 PolarHBondContact O-N 3.36Å; L858-C862 PolarHBondContact O-SG 2.91Å
859	M	93.9	Very high	90.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.9	-35.6	173.4	-169.7	178.8	-67.3	0	0	112.7	Y836 I839 V840 G855 W856 R857 L861 C862 S863 I880 I892	Y836-M859 HydrophobicContact CD1-CG 4.2Å; Y836-M859 HydrophobicContact CE1-CG 4.01Å; I839-M859 HydrophobicContact CB-CE 4.23Å; I839-M859 HydrophobicContact CG2-CB 4.13Å; I839-M859 HydrophobicContact CG2-CE 3.87Å; V840-M859 HydrophobicContact CG2-CE 3.64Å; G855-M859 PolarHBondContact O-N 3.45Å; W856-M859 HydrophobicContact CE3-SD 4.22Å; W856-M859 HydrophobicContact CZ3-CE 4.36Å; W856-M859 HydrophobicContact CZ3-SD 3.99Å; W856-M859 PolarHBondContact O-N 3.32Å; R857-M859 PolarHBondContact O-N 3.49Å; M859-L861 VanDerWaalsContact C-N 3.32Å; M859-C862 PolarHBondContact O-N 2.85Å; M859-S863 PolarHBondContact O-N 3.06Å; M859-S863 PolarHBondContact O-OG 3.13Å; M859-I880 HydrophobicContact SD-CD1 4.28Å; M859-I880 HydrophobicContact SD-CG1 4.21Å; M859-I892 HydrophobicContact CB-CD1 4.29Å; M859-I892 HydrophobicContact CG-CD1 4.23Å; M859-I892 HydrophobicContact CG-CG2 4.2Å; M859-I892 HydrophobicContact SD-CD1 4.19Å; M859-I892 HydrophobicContact SD-CG2 4.44Å
860	T	92.5	Very high	90.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-67.7	-35.3	174.8	-49.5	0	0	0	0	111.2	W856 R857 L858 S863 S864 F888 L891 I892 K895 I920	W856-T860 WeakPolarHBondContact O-CB 3.31Å; W856-T860 PolarHBondContact O-N 3.07Å; W856-T860 PolarHBondContact O-OG1 2.69Å; R857-T860 WeakPolarHBondContact O-CB 3.44Å; R857-T860 PolarHBondContact O-N 2.99Å; L858-T860 VanDerWaalsContact C-N 3.35Å; T860-S863 PolarHBondContact O-OG 3.04Å; T860-S864 PolarHBondContact O-N 2.68Å; T860-S864 PolarHBondContact O-OG 3.03Å; T860-F888 WeakPolarHBondContact OG1-CD1 3.42Å; T860-L891 HydrophobicContact CG2-CB 4Å; T860-I892 HydrophobicContact CG2-CG1 4.21Å; T860-I892 WeakPolarHBondContact OG1-CG1 3.22Å; T860-K895 HydrophobicContact CG2-CD 3.85Å; T860-I920 HydrophobicContact CG2-CB 4.41Å; T860-I920 HydrophobicContact CG2-CD1 3.85Å; T860-I920 HydrophobicContact CG2-CG1 3.78Å; T860-I920 HydrophobicContact CG2-CG2 3.78Å
861	L	94	Very high	91	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-71.6	-43.2	174.3	-71.7	159.5	0	0	0	111.8	A818 I822 R857 L858 M859 S863 S864 P912 H917 I920	A818-L861 HydrophobicContact CB-CD1 4.29Å; I822-L861 HydrophobicContact CD1-CB 3.52Å; R857-L861 WeakPolarHBondContact O-CD1 3.45Å; R857-L861 WeakPolarHBondContact O-CG 3.19Å; R857-L861 PolarHBondContact O-N 3.07Å; L858-L861 PolarHBondContact O-N 3.33Å; M859-L861 VanDerWaalsContact C-N 3.32Å; L861-S863 PolarHBondContact O-N 3.19Å; L861-S864 WeakPolarHBondContact O-CA 3.4Å; L861-S864 WeakPolarHBondContact O-CB 3.28Å; L861-S864 PolarHBondContact O-N 2.81Å; L861-P912 HydrophobicContact CB-CG 4.28Å; L861-P912 HydrophobicContact CD2-CB 3.67Å; L861-P912 HydrophobicContact CD2-CG 3.84Å; L861-H917 VanDerWaalsContact CD1-CE1 3.45Å; L861-H917 WeakPolarHBondContact CD1-CE1 3.45Å; L861-H917 WeakPolarHBondContact CD1-ND1 3.32Å; L861-I920 HydrophobicContact CD2-CD1 3.6Å; L861-I920 HydrophobicContact CG-CD1 3.91Å
862	C	94	Very high	91.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-57.5	-48.6	174	-65.4	0	0	0	0	111.4	Y836 L858 M859 S864 S865 F866	Y836-C862 HydrophobicContact CE1-CB 4.28Å; L858-C862 PolarHBondContact O-N 3.36Å; L858-C862 PolarHBondContact O-SG 2.91Å; M859-C862 PolarHBondContact O-N 2.85Å; C862-S864 PolarHBondContact O-N 3.17Å; C862-S864 VanDerWaalsContact O-N 3.13Å; C862-S865 PolarHBondContact O-N 3.29Å; C862-F866 HydrophobicContact CB-CE2 4.27Å; C862-F866 HydrophobicContact CB-CZ 4.13Å; C862-F866 PolarHBondContact O-N 3.23Å; C862-F866 VanDerWaalsContact O-O 3.05Å
863	S	91.7	Very high	91.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-69.8	-6.7	177.4	56	0	0	0	0	114.5	Y836 M859 T860 L861 K895 W945	Y836-S863 WeakPolarHBondContact OH-CA 3.41Å; Y836-S863 WeakPolarHBondContact OH-CB 3.47Å; Y836-S863 PolarHBondContact OH-N 2.79Å; Y836-S863 VanDerWaalsContact OH-N 3.12Å; M859-S863 PolarHBondContact O-N 3.06Å; M859-S863 PolarHBondContact O-OG 3.13Å; T860-S863 PolarHBondContact O-OG 3.04Å; L861-S863 PolarHBondContact O-N 3.19Å; S863-K895 WeakPolarHBondContact O-CB 3.38Å; S863-W945 WeakPolarHBondContact O-CZ2 3.33Å; S863-W945 PolarHBondContact O-NE1 3Å; S863-W945 VanDerWaalsContact O-NE1 3.14Å
864	S	90.4	Very high	91.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-83	-17.9	168.3	-54.9	0	0	0	0	113.3	T860 L861 C862 K895 R908 S944	T860-S864 PolarHBondContact O-N 2.68Å; T860-S864 PolarHBondContact O-OG 3.03Å; L861-S864 WeakPolarHBondContact O-CA 3.4Å; L861-S864 WeakPolarHBondContact O-CB 3.28Å; L861-S864 PolarHBondContact O-N 2.81Å; C862-S864 PolarHBondContact O-N 3.17Å; C862-S864 VanDerWaalsContact O-N 3.13Å; S864-K895 WeakPolarHBondContact OG-CD 3.32Å; S864-K895 WeakPolarHBondContact OG-CE 3.48Å; S864-K895 PolarHBondContact OG-NZ 2.91Å; S864-R908 WeakPolarHBondContact O-CD 3.37Å; S864-S944 WeakPolarHBondContact CB-OG 3.45Å; S864-S944 PolarHBondContact OG-OG 3.34Å
865	S	91.2	Very high	91.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-121.4	-34	-175.3	-69.1	0	0	0	0	114.5	C862 R908 P912 W945	C862-S865 PolarHBondContact O-N 3.29Å; S865-R908 PolarHBondContact O-N 2.83Å; S865-P912 WeakPolarHBondContact OG-CD 3.36Å; S865-W945 VanDerWaalsContact C-CH2 3.49Å; S865-W945 VanDerWaalsContact O-CH2 3.3Å; S865-W945 WeakPolarHBondContact O-CH2 3.36Å
866	F	91.8	Very high	91.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.111	C	C	.	.			trans	-150	139.4	175.5	57.7	-100.5	0	0	0	113.1	I822 I826 R832 I835 Y836 C862	I822-F866 HydrophobicContact CG2-CD1 4.42Å; I822-F866 HydrophobicContact CG2-CE1 3.95Å; I826-F866 HydrophobicContact CG1-CD1 4.08Å; R832-F866 HydrophobicContact CB-CD2 3.74Å; R832-F866 HydrophobicContact CB-CE2 3.78Å; R832-F866 HydrophobicContact CG-CB 4.49Å; R832-F866 HydrophobicContact CG-CD2 3.49Å; R832-F866 VanDerWaalsContact CG-CD2 3.49Å; R832-F866 HydrophobicContact CG-CE2 3.75Å; R832-F866 HydrophobicContact CG-CG 3.94Å; R832-F866 HydrophobicContact CG-CZ 4.38Å; I835-F866 HydrophobicContact CD1-CZ 4.02Å; I835-F866 HydrophobicContact CG2-CZ 4.44Å; Y836-F866 HydrophobicContact CD2-CE2 4.19Å; Y836-F866 AromaticContact CE2-CD2 3.8Å; Y836-F866 HydrophobicContact CE2-CD2 3.8Å; Y836-F866 AromaticContact CE2-CE2 3.65Å; Y836-F866 HydrophobicContact CE2-CE2 3.65Å; Y836-F866 PolarHBondContact OH-O 3.03Å; C862-F866 HydrophobicContact CB-CE2 4.27Å; C862-F866 HydrophobicContact CB-CZ 4.13Å; C862-F866 PolarHBondContact O-N 3.23Å; C862-F866 VanDerWaalsContact O-O 3.05Å
867	P	90.8	Very high	91.5	Very high	12 Å²	12	18.2 Å²	18.2	8%	0.078	11%	0.11	C	C	.	.	P	Polyproline II helix	trans	-72.1	158.3	165	30.3	-33.4	0	0	0	111	T906	P867-T906 WeakPolarHBondContact CD-O 3.41Å
868	P	90.9	Very high	91.5	Very high	6 Å²	6	17.9 Å²	17.9	4%	0.039	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-64.2	166.7	157.3	32.8	-37.1	0	0	0	110.4	D833 Y836 M872 F873 I876 L896	D833-P868 WeakPolarHBondContact OD1-CA 3.32Å; Y836-P868 HydrophobicContact CD2-CB 3.69Å; Y836-P868 HydrophobicContact CD2-CG 4.35Å; Y836-P868 HydrophobicContact CE2-CB 3.96Å; Y836-P868 HydrophobicContact CE2-CG 4.26Å; Y836-P868 HydrophobicContact CG-CB 4.28Å; P868-M872 HydrophobicContact CB-CB 4.2Å; P868-M872 HydrophobicContact CB-CG 4.33Å; P868-M872 HydrophobicContact CB-SD 4.34Å; P868-F873 HydrophobicContact CG-CB 4.14Å; P868-F873 HydrophobicContact CG-CD2 4.03Å; P868-I876 HydrophobicContact CG-CB 4.36Å; P868-I876 HydrophobicContact CG-CG2 4.42Å; P868-L896 HydrophobicContact CG-CD2 4.45Å
869	S	90.3	Very high	91.3	Very high	42 Å²	42	18.1 Å²	18.1	29%	0.294	11%	0.11	S	C	.	.	P	Polyproline II helix	trans	-57.7	158.9	176.8	77.5	0	0	0	0	112.4	D833 A871 M872 F873	D833-S869 PolarHBondContact OD1-N 2.8Å; D833-S869 WeakPolarHBondContact OD2-CB 3.31Å; D833-S869 PolarHBondContact OD2-OG 2.82Å; S869-A871 PolarHBondContact O-N 3.41Å; S869-A871 VanDerWaalsContact O-N 3.12Å; S869-A871 PolarHBondContact OG-N 3.5Å; S869-M872 PolarHBondContact O-N 3.45Å; S869-M872 PolarHBondContact OG-N 3.5Å; S869-F873 WeakPolarHBondContact O-CB 3.41Å; S869-F873 PolarHBondContact O-N 2.86Å
870	T	87.9	Confident	91.2	Very high	143 Å²	143	18.1 Å²	18.1	88%	0.877	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.8	174.9	51.1	0	0	0	0	113.2
871	A	87.9	Confident	90.9	Very high	66 Å²	66	21.2 Å²	21.2	55%	0.545	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-38.1	174.4	0	0	0	0	0	112.5	S869 Y875	S869-A871 PolarHBondContact O-N 3.41Å; S869-A871 VanDerWaalsContact O-N 3.12Å; S869-A871 PolarHBondContact OG-N 3.5Å; A871-Y875 VanDerWaalsContact O-CD2 3.26Å; A871-Y875 WeakPolarHBondContact O-CD2 3.23Å; A871-Y875 WeakPolarHBondContact O-CE2 3.24Å
872	M	90.9	Very high	90.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-24.7	-176.3	-170.6	-179.8	-168.6	0	0	113.6	F757 F760 D833 A837 P868 S869 K874 Y875 I876	F757-M872 HydrophobicContact CE2-CE 3.81Å; F757-M872 HydrophobicContact CZ-CE 4.15Å; F760-M872 HydrophobicContact CD1-CE 4.29Å; F760-M872 HydrophobicContact CD1-CG 4.46Å; F760-M872 HydrophobicContact CE1-CE 3.78Å; F760-M872 HydrophobicContact CE1-CG 3.88Å; F760-M872 HydrophobicContact CE1-SD 4Å; F760-M872 HydrophobicContact CE2-CB 4.07Å; F760-M872 HydrophobicContact CE2-CG 4.15Å; F760-M872 HydrophobicContact CZ-CB 3.88Å; F760-M872 HydrophobicContact CZ-CE 4.46Å; F760-M872 HydrophobicContact CZ-CG 3.7Å; F760-M872 HydrophobicContact CZ-SD 4.1Å; D833-M872 HydrophobicContact CB-SD 3.5Å; D833-M872 WeakPolarHBondContact CB-SD 3.28Å; D833-M872 VanDerWaalsContact CG-SD 3.53Å; D833-M872 WeakPolarHBondContact OD2-CB 3.25Å; A837-M872 HydrophobicContact CB-CE 3.96Å; P868-M872 HydrophobicContact CB-CB 4.2Å; P868-M872 HydrophobicContact CB-CG 4.33Å; P868-M872 HydrophobicContact CB-SD 4.34Å; S869-M872 PolarHBondContact O-N 3.45Å; S869-M872 PolarHBondContact OG-N 3.5Å; M872-K874 PolarHBondContact O-N 3.22Å; M872-Y875 WeakPolarHBondContact O-CA 3.33Å; M872-Y875 WeakPolarHBondContact O-CB 3.21Å; M872-Y875 PolarHBondContact O-N 3.2Å; M872-I876 HydrophobicContact CE-CD1 3.99Å; M872-I876 HydrophobicContact CE-CG1 3.91Å; M872-I876 HydrophobicContact CG-CG1 3.97Å; M872-I876 PolarHBondContact O-N 2.89Å; M872-I876 HydrophobicContact SD-CG1 4.33Å
873	F	91.9	Very high	90.1	Very high	17 Å²	17	28.3 Å²	28.3	8%	0.075	17%	0.165	C	C	.	.	H	α-helix	trans	-51.2	-47.3	-172.2	-179.3	-91.6	0	0	0	114.6	P868 S869 Y875 I876 L877 L896 V900	P868-F873 HydrophobicContact CG-CB 4.14Å; P868-F873 HydrophobicContact CG-CD2 4.03Å; S869-F873 WeakPolarHBondContact O-CB 3.41Å; S869-F873 PolarHBondContact O-N 2.86Å; F873-Y875 VanDerWaalsContact C-N 3.3Å; F873-Y875 PolarHBondContact O-N 2.86Å; F873-I876 PolarHBondContact O-N 3.15Å; F873-L877 HydrophobicContact CE1-CD2 3.9Å; F873-L877 HydrophobicContact CZ-CD2 4.32Å; F873-L877 VanDerWaalsContact O-CB 3.32Å; F873-L877 WeakPolarHBondContact O-CB 3.45Å; F873-L877 PolarHBondContact O-N 2.84Å; F873-L896 HydrophobicContact CD2-CD2 4.48Å; F873-L896 HydrophobicContact CE2-CB 3.82Å; F873-L896 HydrophobicContact CE2-CD2 4.14Å; F873-L896 HydrophobicContact CE2-CG 4.49Å; F873-L896 WeakPolarHBondContact CE2-O 3.5Å; F873-L896 HydrophobicContact CZ-CB 4.18Å; F873-V900 HydrophobicContact CD2-CG2 3.82Å; F873-V900 HydrophobicContact CE1-CG2 4.36Å; F873-V900 HydrophobicContact CE2-CB 4.31Å; F873-V900 HydrophobicContact CE2-CG2 3.39Å; F873-V900 HydrophobicContact CG-CG2 4.47Å; F873-V900 HydrophobicContact CZ-CB 4.13Å; F873-V900 HydrophobicContact CZ-CG2 3.7Å
874	K	91.3	Very high	89.3	Confident	54 Å²	54	37.5 Å²	37.5	24%	0.235	21%	0.208	C	C	.	.	H	α-helix	trans	-67	-31.8	179.5	-66.6	-169.4	-175.7	-169.6	0	112.5	D751 L752 Y755 M872 N878	D751-K874 IonicContact OD1-NZ 2.72Å; D751-K874 PolarHBondContact OD1-NZ 3.05Å; D751-K874 IonicContact OD2-NZ 3.15Å; D751-K874 PolarHBondContact OD2-NZ 2.62Å; L752-K874 HydrophobicContact CD1-CB 4.18Å; L752-K874 WeakPolarHBondContact CD1-O 3.42Å; Y755-K874 HydrophobicContact CD1-CB 3.83Å; Y755-K874 HydrophobicContact CD1-CD 4.21Å; Y755-K874 HydrophobicContact CD2-CB 4.07Å; Y755-K874 HydrophobicContact CD2-CD 3.87Å; Y755-K874 HydrophobicContact CE1-CB 4.36Å; Y755-K874 HydrophobicContact CE1-CD 3.94Å; Y755-K874 HydrophobicContact CE2-CD 3.59Å; Y755-K874 HydrophobicContact CG-CB 3.67Å; Y755-K874 HydrophobicContact CG-CD 4.19Å; M872-K874 PolarHBondContact O-N 3.22Å; K874-N878 WeakPolarHBondContact O-CB 3.26Å; K874-N878 PolarHBondContact O-N 2.95Å
875	Y	91.8	Very high	88.5	Confident	26 Å²	26	38 Å²	38	10%	0.102	21%	0.211	C	C	.	.	H	α-helix	trans	-72	-42.8	177.1	-61.8	-81.4	0	0	0	111.7	Y755 P756 K759 F760 A871 M872 F873 N878 F879	Y755-Y875 VanDerWaalsContact C-CD1 3.49Å; Y755-Y875 HydrophobicContact CD1-CD2 4.36Å; Y755-Y875 HydrophobicContact CD1-CE1 4.06Å; Y755-Y875 AromaticContact CD1-CE2 3.86Å; Y755-Y875 HydrophobicContact CD1-CE2 3.86Å; Y755-Y875 AromaticContact CD1-CZ 3.7Å; Y755-Y875 HydrophobicContact CG-CE1 4.41Å; Y755-Y875 WeakPolarHBondContact O-CA 3.44Å; Y755-Y875 VanDerWaalsContact O-CD1 3.3Å; Y755-Y875 WeakPolarHBondContact O-CD1 3.49Å; P756-Y875 WeakPolarHBondContact O-CD1 3.44Å; K759-Y875 HydrophobicContact CB-CE1 4.32Å; K759-Y875 HydrophobicContact CD-CE1 4.28Å; K759-Y875 HydrophobicContact CG-CE1 4.41Å; F760-Y875 HydrophobicContact CB-CD1 3.7Å; F760-Y875 HydrophobicContact CB-CD2 4.12Å; F760-Y875 HydrophobicContact CB-CE1 4.1Å; F760-Y875 HydrophobicContact CB-CE2 4.49Å; F760-Y875 HydrophobicContact CB-CG 3.69Å; F760-Y875 AromaticContact CD2-CD2 3.51Å; F760-Y875 HydrophobicContact CD2-CD2 3.51Å; F760-Y875 AromaticContact CD2-CE2 3.7Å; F760-Y875 HydrophobicContact CD2-CE2 3.7Å; F760-Y875 AromaticContact CD2-CG 3.97Å; F760-Y875 HydrophobicContact CD2-CG 3.97Å; F760-Y875 HydrophobicContact CE2-CD2 4.27Å; F760-Y875 HydrophobicContact CE2-CE2 4.48Å; F760-Y875 HydrophobicContact CG-CD2 4.12Å; F760-Y875 HydrophobicContact CG-CG 4.11Å; A871-Y875 VanDerWaalsContact O-CD2 3.26Å; A871-Y875 WeakPolarHBondContact O-CD2 3.23Å; A871-Y875 WeakPolarHBondContact O-CE2 3.24Å; M872-Y875 WeakPolarHBondContact O-CA 3.33Å; M872-Y875 WeakPolarHBondContact O-CB 3.21Å; M872-Y875 PolarHBondContact O-N 3.2Å; F873-Y875 VanDerWaalsContact C-N 3.3Å; F873-Y875 PolarHBondContact O-N 2.86Å; Y875-N878 PolarHBondContact O-N 3.02Å; Y875-F879 WeakPolarHBondContact O-CB 3.3Å; Y875-F879 PolarHBondContact O-N 3.47Å
876	I	91.6	Very high	87.6	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.4	-44.1	174	-76.3	-70.6	0	0	0	111.5	F757 Y836 V840 P868 M872 F873 N878 F879 I880 L896	F757-I876 HydrophobicContact CD2-CD1 4.32Å; F757-I876 HydrophobicContact CE2-CD1 3.79Å; F757-I876 HydrophobicContact CE2-CG1 4.28Å; Y836-I876 HydrophobicContact CD1-CD1 4.24Å; Y836-I876 HydrophobicContact CD1-CG2 4.3Å; Y836-I876 HydrophobicContact CG-CD1 4.45Å; V840-I876 HydrophobicContact CG2-CD1 3.49Å; V840-I876 VanDerWaalsContact CG2-CD1 3.49Å; P868-I876 HydrophobicContact CG-CB 4.36Å; P868-I876 HydrophobicContact CG-CG2 4.42Å; M872-I876 HydrophobicContact CE-CD1 3.99Å; M872-I876 HydrophobicContact CE-CG1 3.91Å; M872-I876 HydrophobicContact CG-CG1 3.97Å; M872-I876 PolarHBondContact O-N 2.89Å; M872-I876 HydrophobicContact SD-CG1 4.33Å; F873-I876 PolarHBondContact O-N 3.15Å; I876-N878 VanDerWaalsContact C-N 3.3Å; I876-N878 PolarHBondContact O-N 3.04Å; I876-F879 WeakPolarHBondContact O-CB 3.42Å; I876-F879 PolarHBondContact O-N 3.4Å; I876-I880 HydrophobicContact CG2-CD1 3.67Å; I876-I880 WeakPolarHBondContact O-CD1 3.35Å; I876-I880 WeakPolarHBondContact O-CG1 3.33Å; I876-I880 PolarHBondContact O-N 3.35Å; I876-L896 HydrophobicContact CG2-CD1 3.8Å
877	L	91.1	Very high	86.9	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.7	-34.6	176.9	-176.2	62.9	0	0	0	112	L752 F873 M881 K893 L897	L752-L877 HydrophobicContact CD1-CB 4.06Å; L752-L877 HydrophobicContact CD1-CD2 4.13Å; L752-L877 HydrophobicContact CD1-CG 4.1Å; L752-L877 HydrophobicContact CD2-CD2 4.42Å; L752-L877 HydrophobicContact CD2-CG 4.11Å; F873-L877 HydrophobicContact CE1-CD2 3.9Å; F873-L877 HydrophobicContact CZ-CD2 4.32Å; F873-L877 VanDerWaalsContact O-CB 3.32Å; F873-L877 WeakPolarHBondContact O-CB 3.45Å; F873-L877 PolarHBondContact O-N 2.84Å; L877-M881 VanDerWaalsContact O-CB 3.31Å; L877-M881 WeakPolarHBondContact O-CB 3.45Å; L877-M881 WeakPolarHBondContact O-CG 3.18Å; L877-M881 PolarHBondContact O-N 2.85Å; L877-M881 VanDerWaalsContact O-N 3.11Å; L877-K893 HydrophobicContact CD1-CB 4.46Å; L877-K893 HydrophobicContact CD1-CG 4.09Å; L877-L897 HydrophobicContact CD2-CD2 3.95Å
878	N	91.6	Very high	86.5	Confident	9 Å²	9	45 Å²	45	5%	0.048	26%	0.258	C	S	.	.	H	α-helix	trans	-65.7	-48.5	172.1	-178.6	-62.3	0	0	0	111.3	L752 Y755 K874 Y875 I876 I880 M881 N882	L752-N878 HydrophobicContact CD1-CB 4.06Å; L752-N878 HydrophobicContact CG-CB 4.03Å; L752-N878 PolarHBondContact O-ND2 2.71Å; Y755-N878 WeakPolarHBondContact O-CB 3.41Å; Y755-N878 PolarHBondContact O-ND2 2.79Å; K874-N878 WeakPolarHBondContact O-CB 3.26Å; K874-N878 PolarHBondContact O-N 2.95Å; Y875-N878 PolarHBondContact O-N 3.02Å; I876-N878 VanDerWaalsContact C-N 3.3Å; I876-N878 PolarHBondContact O-N 3.04Å; N878-I880 PolarHBondContact O-N 3.12Å; N878-M881 PolarHBondContact O-N 3Å; N878-M881 VanDerWaalsContact O-N 3.16Å; N878-N882 WeakPolarHBondContact O-CB 3.48Å; N878-N882 PolarHBondContact O-N 3.2Å; N878-N882 PolarHBondContact O-ND2 2.79Å; N878-N882 PolarHBondContact OD1-ND2 2.77Å
879	F	90.8	Very high	86.3	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.018	27%	0.269	C	S	.	.	H	α-helix	trans	-52.8	-52	176.9	-179	-107.5	0	0	0	111.9	F757 V840 V843 H844 W856 Y875 I876 M881 N882 T883	F757-F879 HydrophobicContact CB-CB 3.99Å; F757-F879 HydrophobicContact CB-CD2 4.1Å; F757-F879 HydrophobicContact CB-CG 4.43Å; F757-F879 HydrophobicContact CD2-CB 4.32Å; F757-F879 HydrophobicContact CG-CB 4.29Å; F757-F879 HydrophobicContact CG-CD2 4.3Å; F757-F879 HydrophobicContact CG-CG 4.49Å; V840-F879 HydrophobicContact CB-CE1 4.28Å; V840-F879 HydrophobicContact CB-CZ 4.47Å; V840-F879 HydrophobicContact CG1-CD1 4.25Å; V840-F879 HydrophobicContact CG1-CD2 4.22Å; V840-F879 HydrophobicContact CG1-CE1 3.86Å; V840-F879 HydrophobicContact CG1-CE2 3.82Å; V840-F879 HydrophobicContact CG1-CG 4.43Å; V840-F879 HydrophobicContact CG1-CZ 3.64Å; V840-F879 HydrophobicContact CG2-CD1 3.87Å; V840-F879 HydrophobicContact CG2-CE1 3.83Å; V840-F879 HydrophobicContact CG2-CZ 4.47Å; V843-F879 HydrophobicContact CG2-CE1 4.01Å; V843-F879 HydrophobicContact CG2-CZ 4.17Å; H844-F879 HydrophobicContact CB-CE2 4.39Å; H844-F879 HydrophobicContact CB-CZ 4.24Å; H844-F879 AromaticContact ND1-CE2 3.78Å; W856-F879 HydrophobicContact CH2-CD1 4.25Å; W856-F879 AromaticContact CH2-CE1 3.47Å; W856-F879 HydrophobicContact CH2-CE1 3.47Å; W856-F879 VanDerWaalsContact CH2-CE1 3.47Å; W856-F879 HydrophobicContact CH2-CZ 4.09Å; W856-F879 HydrophobicContact CZ2-CE1 4.45Å; W856-F879 AromaticContact CZ3-CE1 3.98Å; W856-F879 HydrophobicContact CZ3-CE1 3.98Å; Y875-F879 WeakPolarHBondContact O-CB 3.3Å; Y875-F879 PolarHBondContact O-N 3.47Å; I876-F879 WeakPolarHBondContact O-CB 3.42Å; I876-F879 PolarHBondContact O-N 3.4Å; F879-M881 PolarHBondContact O-N 2.85Å; F879-N882 PolarHBondContact O-N 3.37Å; F879-T883 WeakPolarHBondContact CE2-OG1 3.49Å; F879-T883 HydrophobicContact CZ-CG2 4.29Å; F879-T883 VanDerWaalsContact O-CB 3.28Å; F879-T883 WeakPolarHBondContact O-CB 3.26Å; F879-T883 PolarHBondContact O-N 3.02Å; F879-T883 PolarHBondContact O-OG1 3.44Å
880	I	90.2	Very high	85.9	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.8	-43.2	179	-64.5	154.9	0	0	0	111	M859 I876 N878 N882 Q889 I892 L896	M859-I880 HydrophobicContact SD-CD1 4.28Å; M859-I880 HydrophobicContact SD-CG1 4.21Å; I876-I880 HydrophobicContact CG2-CD1 3.67Å; I876-I880 WeakPolarHBondContact O-CD1 3.35Å; I876-I880 WeakPolarHBondContact O-CG1 3.33Å; I876-I880 PolarHBondContact O-N 3.35Å; N878-I880 PolarHBondContact O-N 3.12Å; I880-N882 PolarHBondContact O-N 3.47Å; I880-Q889 HydrophobicContact CG2-CG 4.14Å; I880-Q889 WeakPolarHBondContact O-CG 3.33Å; I880-Q889 PolarHBondContact O-NE2 3.17Å; I880-I892 HydrophobicContact CD1-CB 4.14Å; I880-I892 HydrophobicContact CD1-CG2 3.39Å; I880-I892 HydrophobicContact CG1-CG2 4.23Å; I880-I892 HydrophobicContact CG2-CB 4.27Å; I880-L896 HydrophobicContact CD1-CD1 3.39Å
881	M	87.4	Confident	85.7	Confident	66 Å²	66	44.5 Å²	44.5	33%	0.325	24%	0.244	S	C	.	.	H	α-helix	trans	-66.5	-21.5	179.6	-77.6	-63.7	-43.4	0	0	114.1	L752 L877 N878 F879 Q889 K893	L752-M881 HydrophobicContact CD2-CB 4.47Å; L752-M881 HydrophobicContact CD2-CG 4.11Å; L877-M881 VanDerWaalsContact O-CB 3.31Å; L877-M881 WeakPolarHBondContact O-CB 3.45Å; L877-M881 WeakPolarHBondContact O-CG 3.18Å; L877-M881 PolarHBondContact O-N 2.85Å; L877-M881 VanDerWaalsContact O-N 3.11Å; N878-M881 PolarHBondContact O-N 3Å; N878-M881 VanDerWaalsContact O-N 3.16Å; F879-M881 PolarHBondContact O-N 2.85Å; M881-Q889 PolarHBondContact O-NE2 3.45Å; M881-K893 HydrophobicContact SD-CD 3.83Å; M881-K893 HydrophobicContact SD-CG 4.08Å
882	N	86.8	Confident	85.7	Confident	119 Å²	119	41.3 Å²	41.3	64%	0.636	22%	0.218	S	C	*	.	H	α-helix	trans	-108.8	-15.5	-177.3	-69	-38.8	0	0	0	114.3	N878 F879 I880	N878-N882 WeakPolarHBondContact O-CB 3.48Å; N878-N882 PolarHBondContact O-N 3.2Å; N878-N882 PolarHBondContact O-ND2 2.79Å; N878-N882 PolarHBondContact OD1-ND2 2.77Å; F879-N882 PolarHBondContact O-N 3.37Å; I880-N882 PolarHBondContact O-N 3.47Å
883	T	83.8	Confident	85.5	Confident	30 Å²	30	43.2 Å²	43.2	18%	0.184	23%	0.226	C	C	.	.	S	Bend	trans	-95.6	132.4	-179.5	-51.5	0	0	0	0	111.3	W856 F879 C885 Q889	W856-T883 HydrophobicContact CH2-CG2 3.78Å; W856-T883 HydrophobicContact CZ2-CG2 3.66Å; F879-T883 WeakPolarHBondContact CE2-OG1 3.49Å; F879-T883 HydrophobicContact CZ-CG2 4.29Å; F879-T883 VanDerWaalsContact O-CB 3.28Å; F879-T883 WeakPolarHBondContact O-CB 3.26Å; F879-T883 PolarHBondContact O-N 3.02Å; F879-T883 PolarHBondContact O-OG1 3.44Å; T883-C885 PolarHBondContact O-N 2.87Å; T883-C885 PolarHBondContact O-SG 3.28Å; T883-Q889 PolarHBondContact O-NE2 2.87Å
884	E	75.4	Confident	85.2	Confident	193 Å²	193	45.4 Å²	45.4	90%	0.902	24%	0.239	S	C	*	.			trans	-70.6	112	172.1	-64.9	-164.1	160.2	0	0	110.2
885	C	72.9	Confident	85	Confident	11 Å²	11	43.5 Å²	43.5	7%	0.074	23%	0.231	C	C	.	.			trans	-134.6	109.2	-179.9	47.8	0	0	0	0	109.7	W856 T883 G887 F888 Q889	W856-C885 HydrophobicContact CD2-CB 3.53Å; W856-C885 HydrophobicContact CE3-CB 3.91Å; W856-C885 HydrophobicContact CG-CB 4.03Å; W856-C885 HydrophobicContact CH2-CB 3.95Å; W856-C885 HydrophobicContact CZ2-CB 3.62Å; W856-C885 HydrophobicContact CZ3-CB 4.1Å; T883-C885 PolarHBondContact O-N 2.87Å; T883-C885 PolarHBondContact O-SG 3.28Å; C885-G887 PolarHBondContact O-N 3.49Å; C885-F888 PolarHBondContact O-N 3.49Å; C885-Q889 VanDerWaalsContact SG-CA 3.52Å; C885-Q889 VanDerWaalsContact SG-CB 3.54Å; C885-Q889 PolarHBondContact SG-N 2.96Å
886	D	73	Confident	84.8	Confident	116 Å²	116	42.2 Å²	42.2	62%	0.62	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	107.6	-166	176.1	51.9	0	0	0	112.7	F888 K923	D886-F888 WeakPolarHBondContact O-CD2 3.47Å; D886-F888 PolarHBondContact O-N 3.37Å; D886-K923 PolarHBondContact O-NZ 3.29Å; D886-K923 IonicContact OD2-NZ 2.73Å; D886-K923 PolarHBondContact OD2-NZ 3.15Å
887	G	76	Confident	84.5	Confident	43 Å²	43	42.5 Å²	42.5	44%	0.443	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	-28.6	-176.5	0	0	0	0	0	116.2	C885 Q889	C885-G887 PolarHBondContact O-N 3.49Å; G887-Q889 PolarHBondContact O-N 3.18Å
888	F	84.3	Confident	84.1	Confident	1 Å²	1	45.2 Å²	45.2	0%	0.004	24%	0.24	C	C	.	.	H	α-helix	trans	-69.6	-26.6	-172.6	-66.8	-67.5	0	0	0	114.7	D853 W856 R857 T860 C885 D886 N890 L891 I892 I920 K923	D853-F888 VanDerWaalsContact OD1-CE2 3.31Å; D853-F888 WeakPolarHBondContact OD1-CE2 3.32Å; W856-F888 HydrophobicContact CB-CB 4.19Å; W856-F888 HydrophobicContact CB-CD2 3.42Å; W856-F888 VanDerWaalsContact CB-CD2 3.42Å; W856-F888 HydrophobicContact CB-CE2 3.93Å; W856-F888 HydrophobicContact CB-CG 3.85Å; W856-F888 HydrophobicContact CG-CD2 4.2Å; R857-F888 HydrophobicContact CB-CZ 4.49Å; R857-F888 HydrophobicContact CG-CE1 3.67Å; R857-F888 HydrophobicContact CG-CE2 4.11Å; R857-F888 HydrophobicContact CG-CZ 3.27Å; T860-F888 WeakPolarHBondContact OG1-CD1 3.42Å; C885-F888 PolarHBondContact O-N 3.49Å; D886-F888 WeakPolarHBondContact O-CD2 3.47Å; D886-F888 PolarHBondContact O-N 3.37Å; F888-N890 VanDerWaalsContact C-N 3.29Å; F888-N890 PolarHBondContact O-N 2.9Å; F888-N890 VanDerWaalsContact O-N 3.12Å; F888-L891 HydrophobicContact CD1-CD1 4.16Å; F888-L891 WeakPolarHBondContact O-CA 3.46Å; F888-L891 WeakPolarHBondContact O-CB 3.47Å; F888-L891 PolarHBondContact O-N 3.43Å; F888-I892 HydrophobicContact CB-CD1 4.04Å; F888-I892 HydrophobicContact CB-CG1 4.34Å; F888-I892 PolarHBondContact O-N 2.69Å; F888-I920 HydrophobicContact CE1-CG2 4.1Å; F888-K923 HydrophobicContact CE1-CD 4.35Å; F888-K923 HydrophobicContact CE1-CG 4.08Å; F888-K923 HydrophobicContact CE2-CD 4.27Å; F888-K923 VanDerWaalsContact CE2-NZ 3.32Å; F888-K923 HydrophobicContact CZ-CD 4.05Å; F888-K923 VanDerWaalsContact CZ-CE 3.43Å; F888-K923 HydrophobicContact CZ-CG 4.13Å
889	Q	85	Confident	83.5	Confident	56 Å²	56	44.9 Å²	44.9	26%	0.262	24%	0.238	S	C	.	.	H	α-helix	trans	-47	-49.5	-174.1	-170.9	174.4	68.9	0	0	113.2	I880 M881 T883 C885 G887 K893	I880-Q889 HydrophobicContact CG2-CG 4.14Å; I880-Q889 WeakPolarHBondContact O-CG 3.33Å; I880-Q889 PolarHBondContact O-NE2 3.17Å; M881-Q889 PolarHBondContact O-NE2 3.45Å; T883-Q889 PolarHBondContact O-NE2 2.87Å; C885-Q889 VanDerWaalsContact SG-CA 3.52Å; C885-Q889 VanDerWaalsContact SG-CB 3.54Å; C885-Q889 PolarHBondContact SG-N 2.96Å; G887-Q889 PolarHBondContact O-N 3.18Å; Q889-K893 WeakPolarHBondContact O-CB 3.48Å; Q889-K893 PolarHBondContact O-N 3.24Å; Q889-K893 VanDerWaalsContact O-N 3.13Å
890	N	82	Confident	82.8	Confident	91 Å²	91	48.4 Å²	48.4	49%	0.487	26%	0.26	S	S	.	.	H	α-helix	trans	-75.7	-29	-178.7	-71.6	-67.3	0	0	0	113.1	F888 N894	F888-N890 VanDerWaalsContact C-N 3.29Å; F888-N890 PolarHBondContact O-N 2.9Å; F888-N890 VanDerWaalsContact O-N 3.12Å; N890-N894 VanDerWaalsContact O-CB 3.24Å; N890-N894 WeakPolarHBondContact O-CB 3.48Å; N890-N894 PolarHBondContact O-N 3.17Å; N890-N894 PolarHBondContact O-ND2 3.03Å; N890-N894 PolarHBondContact O-OD1 3.36Å
891	L	83.3	Confident	81.8	Confident	32 Å²	32	53.7 Å²	53.7	17%	0.168	28%	0.284	C	S	.	.	H	α-helix	trans	-67.5	-53.5	176.9	-69	167.3	0	0	0	110.6	T860 F888 N894 K895 K923	T860-L891 HydrophobicContact CG2-CB 4Å; F888-L891 HydrophobicContact CD1-CD1 4.16Å; F888-L891 WeakPolarHBondContact O-CA 3.46Å; F888-L891 WeakPolarHBondContact O-CB 3.47Å; F888-L891 PolarHBondContact O-N 3.43Å; L891-N894 PolarHBondContact O-N 2.9Å; L891-K895 WeakPolarHBondContact O-CB 3.45Å; L891-K895 WeakPolarHBondContact O-CD 3.34Å; L891-K895 VanDerWaalsContact O-CG 3.28Å; L891-K895 WeakPolarHBondContact O-CG 3.3Å; L891-K895 PolarHBondContact O-N 3.03Å; L891-K923 HydrophobicContact CD1-CB 4.12Å
892	I	88.5	Confident	80.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.6	-46	-179.3	-49.1	170.7	0	0	0	110	W856 M859 T860 I880 F888 N894 K895 L896	W856-I892 HydrophobicContact CE3-CD1 3.78Å; W856-I892 HydrophobicContact CZ3-CD1 4.33Å; M859-I892 HydrophobicContact CB-CD1 4.29Å; M859-I892 HydrophobicContact CG-CD1 4.23Å; M859-I892 HydrophobicContact CG-CG2 4.2Å; M859-I892 HydrophobicContact SD-CD1 4.19Å; M859-I892 HydrophobicContact SD-CG2 4.44Å; T860-I892 HydrophobicContact CG2-CG1 4.21Å; T860-I892 WeakPolarHBondContact OG1-CG1 3.22Å; I880-I892 HydrophobicContact CD1-CB 4.14Å; I880-I892 HydrophobicContact CD1-CG2 3.39Å; I880-I892 HydrophobicContact CG1-CG2 4.23Å; I880-I892 HydrophobicContact CG2-CB 4.27Å; F888-I892 HydrophobicContact CB-CD1 4.04Å; F888-I892 HydrophobicContact CB-CG1 4.34Å; F888-I892 PolarHBondContact O-N 2.69Å; I892-N894 PolarHBondContact O-N 2.79Å; I892-K895 PolarHBondContact O-N 3.28Å; I892-L896 HydrophobicContact CG2-CD1 4.01Å; I892-L896 HydrophobicContact CG2-CG 4.33Å; I892-L896 WeakPolarHBondContact O-CB 3.33Å; I892-L896 WeakPolarHBondContact O-CG 3.29Å; I892-L896 PolarHBondContact O-N 2.83Å
893	K	87.7	Confident	79.3	Confident	39 Å²	39	56.6 Å²	56.6	17%	0.17	30%	0.295	C	S	.	.	H	α-helix	trans	-54.2	-50.6	175.7	175.6	-150.1	170.4	-160.6	0	112.4	L877 M881 Q889 L896 L897	L877-K893 HydrophobicContact CD1-CB 4.46Å; L877-K893 HydrophobicContact CD1-CG 4.09Å; M881-K893 HydrophobicContact SD-CD 3.83Å; M881-K893 HydrophobicContact SD-CG 4.08Å; Q889-K893 WeakPolarHBondContact O-CB 3.48Å; Q889-K893 PolarHBondContact O-N 3.24Å; Q889-K893 VanDerWaalsContact O-N 3.13Å; K893-L896 PolarHBondContact O-N 3.33Å; K893-L897 HydrophobicContact CG-CD1 4Å; K893-L897 WeakPolarHBondContact O-CB 3.33Å; K893-L897 WeakPolarHBondContact O-CG 3.28Å; K893-L897 PolarHBondContact O-N 3.5Å
894	N	84.5	Confident	77.9	Confident	64 Å²	64	60.4 Å²	60.4	34%	0.342	31%	0.314	S	S	.	.	H	α-helix	trans	-68.8	-39.6	-176.9	-70.1	-5	0	0	0	111.4	N890 L891 I892 L897 H898	N890-N894 VanDerWaalsContact O-CB 3.24Å; N890-N894 WeakPolarHBondContact O-CB 3.48Å; N890-N894 PolarHBondContact O-N 3.17Å; N890-N894 PolarHBondContact O-ND2 3.03Å; N890-N894 PolarHBondContact O-OD1 3.36Å; L891-N894 PolarHBondContact O-N 2.9Å; I892-N894 PolarHBondContact O-N 2.79Å; N894-L897 PolarHBondContact O-N 2.98Å; N894-H898 PolarHBondContact O-CD2 3.43Å; N894-H898 VanDerWaalsContact O-CD2 3.28Å; N894-H898 PolarHBondContact O-N 3.47Å
895	K	87.1	Confident	76.9	Confident	13 Å²	13	55.7 Å²	55.7	6%	0.057	30%	0.299	C	S	.	.	H	α-helix	trans	-61	-46.1	175	-75.4	168.6	179.2	-78.2	0	112	T860 S863 S864 L891 I892 H898 S899 S944 W945	T860-K895 HydrophobicContact CG2-CD 3.85Å; S863-K895 WeakPolarHBondContact O-CB 3.38Å; S864-K895 WeakPolarHBondContact OG-CD 3.32Å; S864-K895 WeakPolarHBondContact OG-CE 3.48Å; S864-K895 PolarHBondContact OG-NZ 2.91Å; L891-K895 WeakPolarHBondContact O-CB 3.45Å; L891-K895 WeakPolarHBondContact O-CD 3.34Å; L891-K895 VanDerWaalsContact O-CG 3.28Å; L891-K895 WeakPolarHBondContact O-CG 3.3Å; L891-K895 PolarHBondContact O-N 3.03Å; I892-K895 PolarHBondContact O-N 3.28Å; K895-H898 PolarHBondContact O-N 2.94Å; K895-S899 PolarHBondContact O-N 3.49Å; K895-S899 VanDerWaalsContact O-N 3.12Å; K895-S944 PolarHBondContact NZ-OG 3.02Å; K895-W945 PolarHBondContact O-NE1 3.46Å; K895-W945 VanDerWaalsContact O-NE1 3.14Å
896	L	87.9	Confident	76.6	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62	-45	174.4	-74	175.5	0	0	0	112.5	P868 F873 I876 I880 I892 K893 H898 S899	P868-L896 HydrophobicContact CG-CD2 4.45Å; F873-L896 HydrophobicContact CD2-CD2 4.48Å; F873-L896 HydrophobicContact CE2-CB 3.82Å; F873-L896 HydrophobicContact CE2-CD2 4.14Å; F873-L896 HydrophobicContact CE2-CG 4.49Å; F873-L896 WeakPolarHBondContact CE2-O 3.5Å; F873-L896 HydrophobicContact CZ-CB 4.18Å; I876-L896 HydrophobicContact CG2-CD1 3.8Å; I880-L896 HydrophobicContact CD1-CD1 3.39Å; I892-L896 HydrophobicContact CG2-CD1 4.01Å; I892-L896 HydrophobicContact CG2-CG 4.33Å; I892-L896 WeakPolarHBondContact O-CB 3.33Å; I892-L896 WeakPolarHBondContact O-CG 3.29Å; I892-L896 PolarHBondContact O-N 2.83Å; K893-L896 PolarHBondContact O-N 3.33Å; L896-H898 PolarHBondContact O-N 3.21Å; L896-S899 PolarHBondContact O-N 3.33Å; L896-S899 PolarHBondContact O-OG 3.01Å
897	L	86.2	Confident	77.2	Confident	6 Å²	6	53.8 Å²	53.8	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-66.1	-37.1	178.8	-71.1	170.8	0	0	0	112.6	L746 V748 L877 K893 N894 V900 H901	L746-L897 HydrophobicContact CB-CB 3.95Å; L746-L897 HydrophobicContact CB-CD1 3.92Å; L746-L897 HydrophobicContact CD1-CB 3.59Å; L746-L897 HydrophobicContact CG-CB 4.41Å; V748-L897 HydrophobicContact CG2-CD1 4.09Å; L877-L897 HydrophobicContact CD2-CD2 3.95Å; K893-L897 HydrophobicContact CG-CD1 4Å; K893-L897 WeakPolarHBondContact O-CB 3.33Å; K893-L897 WeakPolarHBondContact O-CG 3.28Å; K893-L897 PolarHBondContact O-N 3.5Å; N894-L897 PolarHBondContact O-N 2.98Å; L897-V900 PolarHBondContact O-N 2.86Å; L897-H901 PolarHBondContact O-CD2 3.26Å; L897-H901 PolarHBondContact O-N 3.43Å
898	H	82	Confident	77.8	Confident	56 Å²	56	51.9 Å²	51.9	26%	0.259	27%	0.271	S	S	.	.	H	α-helix	trans	-60.9	-45.2	172.3	-87.8	-68.1	0	0	0	111.8	Q744 N894 K895 L896 V900 H901 W945	Q744-H898 PolarHBondContact OE1-CE1 2.96Å; N894-H898 PolarHBondContact O-CD2 3.43Å; N894-H898 VanDerWaalsContact O-CD2 3.28Å; N894-H898 PolarHBondContact O-N 3.47Å; K895-H898 PolarHBondContact O-N 2.94Å; L896-H898 PolarHBondContact O-N 3.21Å; H898-V900 PolarHBondContact O-N 3.29Å; H898-H901 PolarHBondContact O-N 3.46Å; H898-W945 HydrophobicContact CB-CB 4.25Å; H898-W945 HydrophobicContact CB-CG 4.18Å
899	S	79.3	Confident	77.9	Confident	3 Å²	3	55 Å²	55	2%	0.021	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-8	-177.1	68.8	0	0	0	0	116.3	K895 L896 T906 W945	K895-S899 PolarHBondContact O-N 3.49Å; K895-S899 VanDerWaalsContact O-N 3.12Å; L896-S899 PolarHBondContact O-N 3.33Å; L896-S899 PolarHBondContact O-OG 3.01Å; S899-T906 WeakPolarHBondContact O-CG2 3.22Å; S899-W945 VanDerWaalsContact CB-CZ2 3.46Å
900	V	74.7	Confident	78	Confident	78 Å²	78	52.4 Å²	52.4	47%	0.473	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-5.1	-178.4	179	0	0	0	0	112.5	F873 L897 H898	F873-V900 HydrophobicContact CD2-CG2 3.82Å; F873-V900 HydrophobicContact CE1-CG2 4.36Å; F873-V900 HydrophobicContact CE2-CB 4.31Å; F873-V900 HydrophobicContact CE2-CG2 3.39Å; F873-V900 HydrophobicContact CG-CG2 4.47Å; F873-V900 HydrophobicContact CZ-CB 4.13Å; F873-V900 HydrophobicContact CZ-CG2 3.7Å; L897-V900 PolarHBondContact O-N 2.86Å; H898-V900 PolarHBondContact O-N 3.29Å
901	H	69.2	Low	78.3	Confident	110 Å²	110	48.1 Å²	48.1	51%	0.509	26%	0.258	S	S	.	.	S	Bend	trans	-89.6	-4.4	176.3	-90.3	-51.7	0	0	0	114.2	L897 H898	L897-H901 PolarHBondContact O-CD2 3.26Å; L897-H901 PolarHBondContact O-N 3.43Å; H898-H901 PolarHBondContact O-N 3.46Å
902	D	64.5	Low	78.7	Confident	54 Å²	54	46.6 Å²	46.6	29%	0.289	25%	0.25	S	S	.	.			trans	-109.3	124.7	174.3	-161.2	-31.9	0	0	0	109.5	N904 K947	D902-N904 VanDerWaalsContact C-N 3.32Å; D902-N904 PolarHBondContact OD1-N 2.9Å; D902-K947 VanDerWaalsContact CG-NZ 3.31Å; D902-K947 IonicContact OD1-NZ 3.29Å; D902-K947 PolarHBondContact OD1-NZ 3.33Å; D902-K947 WeakPolarHBondContact OD2-CE 3.32Å; D902-K947 IonicContact OD2-NZ 3.93Å; D902-K947 PolarHBondContact OD2-NZ 2.91Å
903	E	57.6	Low	78.7	Confident	193 Å²	193	46.6 Å²	46.6	90%	0.902	25%	0.25	S	S	*	.	S	Bend	trans	-80	-17.4	179.4	-63.3	-175.7	161.8	0	0	112
904	N	54.2	Low	78.5	Confident	109 Å²	109	45.5 Å²	45.5	58%	0.583	25%	0.247	S	C	*	.	S	Bend	trans	-108.8	97.1	-176	-72.1	-46.6	0	0	0	111.3	D902 K947	D902-N904 VanDerWaalsContact C-N 3.32Å; D902-N904 PolarHBondContact OD1-N 2.9Å; N904-K947 PolarHBondContact O-NZ 2.87Å
905	T	54.6	Low	78.4	Confident	94 Å²	94	43.1 Å²	43.1	58%	0.577	23%	0.234	S	C	*	.			trans	61.2	135	-174.5	49.9	0	0	0	0	115.5	Y985	T905-Y985 PolarHBondContact O-OH 2.75Å
906	T	66.9	Low	78.5	Confident	59 Å²	59	42.5 Å²	42.5	36%	0.362	23%	0.231	S	C	.	.			trans	-129.9	11	-170	56.3	0	0	0	0	113.6	P867 S899 W945	P867-T906 WeakPolarHBondContact CD-O 3.41Å; S899-T906 WeakPolarHBondContact O-CG2 3.22Å; T906-W945 WeakPolarHBondContact O-CH2 3.46Å
907	C	85.3	Confident	78.6	Confident	28 Å²	28	42.9 Å²	42.9	19%	0.189	23%	0.233	C	C	.	.	S	Bend	trans	-137.9	137.7	178.3	-174.8	0	0	0	0	109.4	R832	R832-C907 VanDerWaalsContact CZ-SG 3.51Å; R832-C907 PolarHBondContact NH2-SG 3.02Å
908	R	87.9	Confident	78.4	Confident	3 Å²	3	45.5 Å²	45.5	1%	0.011	24%	0.244	C	C	.	.			trans	-72.8	154.6	170.4	-76.7	-172.3	56.2	-164	-13.7	111.7	I826 S864 S865 H910 P911 E916 W945 Y985 L987 D988	I826-R908 WeakPolarHBondContact CG2-O 3.47Å; S864-R908 WeakPolarHBondContact O-CD 3.37Å; S865-R908 PolarHBondContact O-N 2.83Å; R908-H910 PolarHBondContact NH2-O 2.83Å; R908-H910 VanDerWaalsContact NH2-O 3.09Å; R908-P911 PolarHBondContact NH2-O 3.24Å; R908-E916 IonicContact CZ-OE2 3.03Å; R908-E916 IonicContact NH1-OE1 2.72Å; R908-E916 PolarHBondContact NH1-OE1 3.01Å; R908-E916 IonicContact NH1-OE2 3.27Å; R908-E916 PolarHBondContact NH1-OE2 3.46Å; R908-W945 HydrophobicContact CG-CE3 4.33Å; R908-W945 HydrophobicContact CG-CZ3 4.01Å; R908-Y985 HydrophobicContact CG-CD2 3.75Å; R908-Y985 HydrophobicContact CG-CE2 4.14Å; R908-Y985 HydrophobicContact CG-CG 4.25Å; R908-L987 PolarHBondContact NH2-O 2.9Å; R908-D988 WeakPolarHBondContact CA-OD2 3.34Å; R908-D988 WeakPolarHBondContact CB-OD1 3.48Å; R908-D988 IonicContact CZ-OD1 2.64Å; R908-D988 VanDerWaalsContact CZ-OD1 3.24Å; R908-D988 IonicContact NE-OD1 3.1Å; R908-D988 PolarHBondContact NE-OD1 3.08Å; R908-D988 IonicContact NE-OD2 3.13Å; R908-D988 IonicContact NH2-OD1 3.42Å; R908-D988 PolarHBondContact NH2-OD1 3.01Å
909	S	86.6	Confident	78.4	Confident	67 Å²	67	43.5 Å²	43.5	47%	0.469	24%	0.238	S	C	.	.	S	Bend	trans	-90.3	-18.4	177.8	-61.3	0	0	0	0	113.4	D988	S909-D988 PolarHBondContact N-OD2 2.72Å
910	H	87.5	Confident	78.7	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.009	24%	0.237	C	C	.	.	S	Bend	trans	-130.2	150.7	179.9	-64.4	95.9	0	0	0	112.1	I826 R908 D988 Y992	I826-H910 WeakPolarHBondContact CD1-O 3.38Å; R908-H910 PolarHBondContact NH2-O 2.83Å; R908-H910 VanDerWaalsContact NH2-O 3.09Å; H910-D988 WeakPolarHBondContact CA-OD1 3.48Å; H910-D988 HydrophobicContact CB-CB 4.43Å; H910-D988 WeakPolarHBondContact CB-OD1 3.31Å; H910-D988 PolarHBondContact N-OD1 3.46Å; H910-D988 PolarHBondContact ND1-O 2.96Å; H910-Y992 AromaticContact NE2-CD2 3.68Å
911	P	89.5	Confident	79.1	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.006	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-54.4	166.7	171	-30.5	35.8	0	0	0	115	N819 K823 I826 R908 S991	N819-P911 HydrophobicContact CB-CB 3.86Å; N819-P911 HydrophobicContact CB-CG 4.48Å; K823-P911 HydrophobicContact CB-CG 4Å; K823-P911 HydrophobicContact CD-CG 3.84Å; K823-P911 HydrophobicContact CG-CG 4.49Å; I826-P911 HydrophobicContact CD1-CG 4.15Å; R908-P911 PolarHBondContact NH2-O 3.24Å; P911-S991 WeakPolarHBondContact O-CB 3.43Å; P911-S991 PolarHBondContact O-OG 3.42Å
912	P	90.7	Very high	79.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-60.2	143.6	177.8	-26.7	36.3	0	0	0	114.2	N819 I822 L861 S865 E916	N819-P912 PolarHBondContact ND2-O 3.37Å; N819-P912 WeakPolarHBondContact OD1-CD 3.45Å; N819-P912 PolarHBondContact OD1-O 3.36Å; I822-P912 HydrophobicContact CD1-CG 4Å; L861-P912 HydrophobicContact CB-CG 4.28Å; L861-P912 HydrophobicContact CD2-CB 3.67Å; L861-P912 HydrophobicContact CD2-CG 3.84Å; S865-P912 WeakPolarHBondContact OG-CD 3.36Å; P912-E916 WeakPolarHBondContact CA-OE2 3.48Å; P912-E916 HydrophobicContact CB-CB 3.99Å
913	T	87.9	Confident	80.3	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-70.2	160.8	177.5	52.9	0	0	0	0	113.1	L915 E916 H917 L987 I990 E994	T913-L915 PolarHBondContact O-N 2.85Å; T913-E916 PolarHBondContact N-OE2 3.14Å; T913-E916 WeakPolarHBondContact O-CB 3.48Å; T913-E916 PolarHBondContact O-N 2.89Å; T913-E916 VanDerWaalsContact OG1-CG 3.26Å; T913-E916 WeakPolarHBondContact OG1-CG 3.42Å; T913-E916 PolarHBondContact OG1-N 3.11Å; T913-E916 VanDerWaalsContact OG1-N 3.13Å; T913-E916 PolarHBondContact OG1-OE2 3.41Å; T913-H917 PolarHBondContact O-CD2 2.56Å; T913-H917 VanDerWaalsContact O-CD2 3.31Å; T913-H917 PolarHBondContact O-N 2.93Å; T913-L987 HydrophobicContact CG2-CB 4.07Å; T913-L987 WeakPolarHBondContact CG2-O 3.33Å; T913-I990 HydrophobicContact CG2-CB 4.01Å; T913-I990 HydrophobicContact CG2-CG2 3.8Å; T913-E994 WeakPolarHBondContact CA-OE2 3.45Å; T913-E994 WeakPolarHBondContact CB-OE2 3.31Å
914	V	84.3	Confident	81	Confident	16 Å²	16	35.9 Å²	35.9	10%	0.097	21%	0.211	C	C	.	.	H	α-helix	trans	-58	-31.9	171.1	-175.7	0	0	0	0	110.9	I727 M815 K918 E994	I727-V914 HydrophobicContact CD1-CG1 4.29Å; I727-V914 HydrophobicContact CD1-CG2 3.91Å; M815-V914 HydrophobicContact CE-CG1 4.23Å; M815-V914 HydrophobicContact CE-CG2 3.99Å; M815-V914 HydrophobicContact SD-CB 4.27Å; M815-V914 HydrophobicContact SD-CG1 4.2Å; M815-V914 HydrophobicContact SD-CG2 4.03Å; V914-K918 HydrophobicContact CG1-CD 4.03Å; V914-K918 WeakPolarHBondContact O-CB 3.41Å; V914-K918 WeakPolarHBondContact O-CG 3.14Å; V914-K918 PolarHBondContact O-N 2.64Å; V914-E994 HydrophobicContact CG2-CB 4.47Å; V914-E994 HydrophobicContact CG2-CG 4.33Å; V914-E994 PolarHBondContact N-OE2 3.16Å
915	L	83.1	Confident	82	Confident	13 Å²	13	34.8 Å²	34.8	7%	0.068	20%	0.201	C	C	.	.	H	α-helix	trans	-62.6	-48.7	171.3	-179.7	57.2	0	0	0	112	V732 T913 A919 M926 L928	V732-L915 HydrophobicContact CG1-CD1 3.75Å; V732-L915 HydrophobicContact CG2-CD1 4.5Å; T913-L915 PolarHBondContact O-N 2.85Å; L915-A919 WeakPolarHBondContact O-CB 3.36Å; L915-A919 PolarHBondContact O-N 3.11Å; L915-M926 HydrophobicContact CD1-CG 4.43Å; L915-M926 HydrophobicContact CD2-CB 4.32Å; L915-M926 HydrophobicContact CD2-SD 4.35Å; L915-M926 HydrophobicContact CG-CB 4.38Å; L915-M926 HydrophobicContact CG-CG 4.08Å; L915-M926 HydrophobicContact CG-SD 3.91Å; L915-L928 HydrophobicContact CD2-CD2 3.82Å; L915-L928 HydrophobicContact CD2-CG 4.4Å
916	E	88.9	Confident	83.3	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-63.8	-46	179	-76.6	167.6	107.6	0	0	112.8	R908 P912 T913 K918 A919 I920 M926 S944 L987	R908-E916 IonicContact CZ-OE2 3.03Å; R908-E916 IonicContact NH1-OE1 2.72Å; R908-E916 PolarHBondContact NH1-OE1 3.01Å; R908-E916 IonicContact NH1-OE2 3.27Å; R908-E916 PolarHBondContact NH1-OE2 3.46Å; P912-E916 WeakPolarHBondContact CA-OE2 3.48Å; P912-E916 HydrophobicContact CB-CB 3.99Å; T913-E916 PolarHBondContact N-OE2 3.14Å; T913-E916 WeakPolarHBondContact O-CB 3.48Å; T913-E916 PolarHBondContact O-N 2.89Å; T913-E916 VanDerWaalsContact OG1-CG 3.26Å; T913-E916 WeakPolarHBondContact OG1-CG 3.42Å; T913-E916 PolarHBondContact OG1-N 3.11Å; T913-E916 VanDerWaalsContact OG1-N 3.13Å; T913-E916 PolarHBondContact OG1-OE2 3.41Å; E916-K918 PolarHBondContact O-N 2.84Å; E916-A919 PolarHBondContact O-N 3.35Å; E916-I920 WeakPolarHBondContact O-CB 3.24Å; E916-I920 VanDerWaalsContact O-CG1 3.29Å; E916-I920 WeakPolarHBondContact O-CG1 3.3Å; E916-I920 PolarHBondContact O-N 2.84Å; E916-M926 HydrophobicContact CB-SD 4.22Å; E916-M926 HydrophobicContact CG-CE 3.83Å; E916-M926 HydrophobicContact CG-SD 3.43Å; E916-M926 WeakPolarHBondContact CG-SD 3.44Å; E916-S944 WeakPolarHBondContact OE1-CB 3.44Å; E916-S944 PolarHBondContact OE1-OG 2.97Å; E916-L987 VanDerWaalsContact CD-CD1 3.4Å; E916-L987 HydrophobicContact CG-CD1 3.7Å
917	H	89.1	Confident	83.7	Confident	8 Å²	8	30.3 Å²	30.3	4%	0.037	17%	0.173	C	C	.	.	H	α-helix	trans	-55.1	-50.6	177.1	-85	-83.4	0	0	0	112.1	M815 N819 L861 T913 I920 K921	M815-H917 HydrophobicContact CG-CB 4.35Å; M815-H917 HydrophobicContact SD-CB 3.87Å; N819-H917 PolarHBondContact OD1-NE2 2.9Å; L861-H917 VanDerWaalsContact CD1-CE1 3.45Å; L861-H917 WeakPolarHBondContact CD1-CE1 3.45Å; L861-H917 WeakPolarHBondContact CD1-ND1 3.32Å; T913-H917 PolarHBondContact O-CD2 2.56Å; T913-H917 VanDerWaalsContact O-CD2 3.31Å; T913-H917 PolarHBondContact O-N 2.93Å; H917-I920 PolarHBondContact O-N 3.23Å; H917-K921 WeakPolarHBondContact O-CB 3.35Å; H917-K921 PolarHBondContact O-N 3.14Å
918	K	83.2	Confident	83.5	Confident	61 Å²	61	30 Å²	30	27%	0.265	17%	0.17	S	C	.	.	H	α-helix	trans	-71.7	-33.3	-178.8	-68.3	176.1	-179.2	177.2	0	111.8	V914 E916 C922	V914-K918 HydrophobicContact CG1-CD 4.03Å; V914-K918 WeakPolarHBondContact O-CB 3.41Å; V914-K918 WeakPolarHBondContact O-CG 3.14Å; V914-K918 PolarHBondContact O-N 2.64Å; E916-K918 PolarHBondContact O-N 2.84Å; K918-C922 WeakPolarHBondContact O-CB 3.35Å; K918-C922 PolarHBondContact O-N 3.18Å; K918-C922 VanDerWaalsContact O-N 3.11Å; K918-C922 PolarHBondContact O-SG 3.34Å
919	A	81	Confident	83.1	Confident	14 Å²	14	30.9 Å²	30.9	12%	0.116	18%	0.176	C	C	.	.	H	α-helix	trans	-67.5	-43.8	174	0	0	0	0	0	112.3	L915 E916 C922 K923 G924 M926	L915-A919 WeakPolarHBondContact O-CB 3.36Å; L915-A919 PolarHBondContact O-N 3.11Å; E916-A919 PolarHBondContact O-N 3.35Å; A919-C922 CarbonylContact O-C 3.58Å; A919-C922 PolarHBondContact O-N 2.86Å; A919-K923 PolarHBondContact O-N 3.13Å; A919-G924 PolarHBondContact O-N 2.87Å; A919-M926 HydrophobicContact CB-CG 3.54Å; A919-M926 HydrophobicContact CB-SD 4.18Å
920	I	86.1	Confident	82.9	Confident	4 Å²	4	27.7 Å²	27.7	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-65.6	-44.5	177.2	-72.4	166	0	0	0	110.7	R857 T860 L861 F888 E916 H917 C922 K923	R857-I920 HydrophobicContact CB-CG2 4.36Å; R857-I920 HydrophobicContact CG-CG2 4.31Å; T860-I920 HydrophobicContact CG2-CB 4.41Å; T860-I920 HydrophobicContact CG2-CD1 3.85Å; T860-I920 HydrophobicContact CG2-CG1 3.78Å; T860-I920 HydrophobicContact CG2-CG2 3.78Å; L861-I920 HydrophobicContact CD2-CD1 3.6Å; L861-I920 HydrophobicContact CG-CD1 3.91Å; F888-I920 HydrophobicContact CE1-CG2 4.1Å; E916-I920 WeakPolarHBondContact O-CB 3.24Å; E916-I920 VanDerWaalsContact O-CG1 3.29Å; E916-I920 WeakPolarHBondContact O-CG1 3.3Å; E916-I920 PolarHBondContact O-N 2.84Å; H917-I920 PolarHBondContact O-N 3.23Å; I920-C922 VanDerWaalsContact C-N 3.31Å; I920-C922 PolarHBondContact O-N 2.96Å; I920-K923 PolarHBondContact O-N 3.01Å
921	K	83.3	Confident	82.7	Confident	79 Å²	79	30.4 Å²	30.4	34%	0.343	16%	0.164	S	C	.	.	H	α-helix	trans	-57.7	-41.3	174.7	-176.4	174.9	175.4	175.7	0	112.4	E811 H917 K923	E811-K921 WeakPolarHBondContact OE1-CD 3.33Å; E811-K921 IonicContact OE1-NZ 3.58Å; E811-K921 PolarHBondContact OE1-NZ 3.45Å; E811-K921 IonicContact OE2-NZ 3.32Å; E811-K921 PolarHBondContact OE2-NZ 3.35Å; H917-K921 WeakPolarHBondContact O-CB 3.35Å; H917-K921 PolarHBondContact O-N 3.14Å; K921-K923 VanDerWaalsContact C-N 3.29Å; K921-K923 PolarHBondContact O-N 3.03Å
922	C	80	Confident	82.2	Confident	100 Å²	100	31.1 Å²	31.1	68%	0.676	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	6.6	175.4	-63.8	0	0	0	0	114.2	K918 A919 I920 G924	K918-C922 WeakPolarHBondContact O-CB 3.35Å; K918-C922 PolarHBondContact O-N 3.18Å; K918-C922 VanDerWaalsContact O-N 3.11Å; K918-C922 PolarHBondContact O-SG 3.34Å; A919-C922 CarbonylContact O-C 3.58Å; A919-C922 PolarHBondContact O-N 2.86Å; I920-C922 VanDerWaalsContact C-N 3.31Å; I920-C922 PolarHBondContact O-N 2.96Å; C922-G924 PolarHBondContact O-N 3.37Å; C922-G924 VanDerWaalsContact O-N 3.12Å
923	K	78.9	Confident	81.2	Confident	63 Å²	63	35.3 Å²	35.3	27%	0.274	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	31.2	-179.8	-46.1	-172.8	-169.2	-164.6	0	113.3	D853 D886 F888 L891 A919 I920 K921	D853-K923 IonicContact OD1-NZ 3.89Å; D853-K923 PolarHBondContact OD1-NZ 3Å; D886-K923 PolarHBondContact O-NZ 3.29Å; D886-K923 IonicContact OD2-NZ 2.73Å; D886-K923 PolarHBondContact OD2-NZ 3.15Å; F888-K923 HydrophobicContact CE1-CD 4.35Å; F888-K923 HydrophobicContact CE1-CG 4.08Å; F888-K923 HydrophobicContact CE2-CD 4.27Å; F888-K923 VanDerWaalsContact CE2-NZ 3.32Å; F888-K923 HydrophobicContact CZ-CD 4.05Å; F888-K923 VanDerWaalsContact CZ-CE 3.43Å; F888-K923 HydrophobicContact CZ-CG 4.13Å; L891-K923 HydrophobicContact CD1-CB 4.12Å; A919-K923 PolarHBondContact O-N 3.13Å; I920-K923 PolarHBondContact O-N 3.01Å; K921-K923 VanDerWaalsContact C-N 3.29Å; K921-K923 PolarHBondContact O-N 3.03Å
924	G	72.1	Confident	80.6	Confident	31 Å²	31	38.8 Å²	38.8	32%	0.32	22%	0.216	S	C	.	.			trans	-111.8	175.3	-171.4	0	0	0	0	0	115.4	A919 C922	A919-G924 PolarHBondContact O-N 2.87Å; C922-G924 PolarHBondContact O-N 3.37Å; C922-G924 VanDerWaalsContact O-N 3.12Å
925	K	74.9	Confident	80.2	Confident	86 Å²	86	39.5 Å²	39.5	37%	0.374	23%	0.226	S	C	.	.			trans	-97.5	156.9	177.1	-64.1	-173.5	177.3	-175.4	0	111.5	F741 D743	F741-K925 HydrophobicContact CD1-CD 3.38Å; F741-K925 HydrophobicContact CD2-CD 4.48Å; F741-K925 HydrophobicContact CE1-CB 3.8Å; F741-K925 HydrophobicContact CE1-CD 3.47Å; F741-K925 VanDerWaalsContact CE1-CD 3.47Å; F741-K925 HydrophobicContact CE1-CG 4.28Å; F741-K925 HydrophobicContact CG-CD 3.94Å; F741-K925 HydrophobicContact CZ-CB 4.06Å; F741-K925 HydrophobicContact CZ-CD 4.08Å; D743-K925 IonicContact OD1-NZ 2.68Å; D743-K925 PolarHBondContact OD1-NZ 2.96Å
926	M	81.3	Confident	79.9	Confident	7 Å²	7	41.2 Å²	41.2	3%	0.034	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	150.9	-176.9	-58.1	176.1	-65.8	0	0	112.6	L915 E916 A919 Q941 V942 L987	L915-M926 HydrophobicContact CD1-CG 4.43Å; L915-M926 HydrophobicContact CD2-CB 4.32Å; L915-M926 HydrophobicContact CD2-SD 4.35Å; L915-M926 HydrophobicContact CG-CB 4.38Å; L915-M926 HydrophobicContact CG-CG 4.08Å; L915-M926 HydrophobicContact CG-SD 3.91Å; E916-M926 HydrophobicContact CB-SD 4.22Å; E916-M926 HydrophobicContact CG-CE 3.83Å; E916-M926 HydrophobicContact CG-SD 3.43Å; E916-M926 WeakPolarHBondContact CG-SD 3.44Å; A919-M926 HydrophobicContact CB-CG 3.54Å; A919-M926 HydrophobicContact CB-SD 4.18Å; M926-Q941 WeakPolarHBondContact O-CA 3.31Å; M926-V942 HydrophobicContact CB-CG1 3.55Å; M926-V942 WeakPolarHBondContact CB-O 3.31Å; M926-V942 HydrophobicContact CE-CG1 4.38Å; M926-V942 PolarHBondContact O-N 2.98Å; M926-V942 VanDerWaalsContact O-N 3.07Å; M926-L987 HydrophobicContact CE-CD1 3.84Å; M926-L987 HydrophobicContact SD-CD1 4.29Å
927	V	77.2	Confident	79.5	Confident	53 Å²	53	45.8 Å²	45.8	32%	0.321	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	136.5	177.3	176.8	0	0	0	0	108.3	K939 S940	V927-K939 HydrophobicContact CG1-CB 4.03Å; V927-S940 WeakPolarHBondContact CA-O 3.41Å; V927-S940 WeakPolarHBondContact CG1-O 3.32Å
928	L	80.4	Confident	79	Confident	22 Å²	22	46.5 Å²	46.5	12%	0.115	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	152.3	172.1	-71.2	171.2	0	0	0	110.5	L915 K939 S940 V942 F951 L986 L987 I990 I1194	L915-L928 HydrophobicContact CD2-CD2 3.82Å; L915-L928 HydrophobicContact CD2-CG 4.4Å; L928-K939 WeakPolarHBondContact O-CA 3.16Å; L928-S940 PolarHBondContact N-O 2.86Å; L928-S940 PolarHBondContact O-N 2.99Å; L928-V942 HydrophobicContact CD1-CB 4.09Å; L928-V942 HydrophobicContact CD1-CG1 3.9Å; L928-V942 HydrophobicContact CD1-CG2 4.08Å; L928-V942 HydrophobicContact CG-CB 4.36Å; L928-V942 HydrophobicContact CG-CG1 3.86Å; L928-F951 HydrophobicContact CB-CE2 3.85Å; L928-F951 HydrophobicContact CB-CZ 3.75Å; L928-F951 HydrophobicContact CD1-CE2 4.48Å; L928-L986 HydrophobicContact CD1-CD2 3.64Å; L928-L986 HydrophobicContact CD1-CG 4.26Å; L928-L987 HydrophobicContact CD1-CD2 4.07Å; L928-I990 HydrophobicContact CD1-CD1 3.86Å; L928-I990 HydrophobicContact CD2-CD1 4.15Å; L928-I1194 HydrophobicContact CB-CD1 4.27Å; L928-I1194 HydrophobicContact CD1-CD1 4.17Å; L928-I1194 HydrophobicContact CD2-CD1 4.47Å
929	S	79.7	Confident	78.8	Confident	21 Å²	21	47.3 Å²	47.3	15%	0.147	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	123.9	171.4	-67.3	0	0	0	0	110.3	K937 L938	S929-K937 VanDerWaalsContact OG-CE 3.3Å; S929-K937 WeakPolarHBondContact OG-CE 3.33Å; S929-L938 CarbonylContact C-O 3.55Å; S929-L938 VanDerWaalsContact CA-O 3.31Å; S929-L938 WeakPolarHBondContact CA-O 3.39Å
930	S	82.3	Confident	78.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	163.1	173.6	62.7	0	0	0	0	111.1	K937 L938 S955 I1194	S930-K937 CarbonylContact O-C 3.5Å; S930-K937 WeakPolarHBondContact O-CA 3.34Å; S930-L938 PolarHBondContact N-O 2.8Å; S930-L938 PolarHBondContact O-N 3.25Å; S930-S955 PolarHBondContact OG-OG 3.43Å; S930-I1194 CarbonylContact C-O 3.47Å
931	Y	82.4	Confident	78.5	Confident	58 Å²	58	48.2 Å²	48.2	23%	0.227	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	128.1	178.2	-68	-102.8	0	0	0	109.1	T936 K937 K1193 I1194 V1195 I1196	Y931-T936 WeakPolarHBondContact CA-O 3.3Å; Y931-K937 HydrophobicContact CD1-CB 4.05Å; Y931-K937 HydrophobicContact CD1-CG 4.34Å; Y931-K937 HydrophobicContact CE1-CB 3.83Å; Y931-K937 HydrophobicContact CE1-CD 3.99Å; Y931-K937 HydrophobicContact CE1-CG 3.91Å; Y931-K937 HydrophobicContact CE2-CD 4.32Å; Y931-K937 HydrophobicContact CE2-CG 4.21Å; Y931-K937 WeakPolarHBondContact OH-CD 3.43Å; Y931-K937 VanDerWaalsContact OH-CE 3.32Å; Y931-K937 WeakPolarHBondContact OH-CE 3.42Å; Y931-K937 PolarHBondContact OH-NZ 3.37Å; Y931-K1193 HydrophobicContact CD2-CD 4.2Å; Y931-K1193 HydrophobicContact CD2-CG 3.75Å; Y931-K1193 HydrophobicContact CE2-CD 4.49Å; Y931-K1193 HydrophobicContact CE2-CG 4.17Å; Y931-K1193 HydrophobicContact CG-CD 4.25Å; Y931-K1193 HydrophobicContact CG-CG 4.18Å; Y931-I1194 PolarHBondContact N-O 3.22Å; Y931-V1195 WeakPolarHBondContact O-CA 3.45Å; Y931-I1196 PolarHBondContact O-N 3Å
932	L	80.4	Confident	78.6	Confident	16 Å²	16	44.5 Å²	44.5	8%	0.084	25%	0.25	C	S	.	.			trans	-72.5	162.4	168.9	-68.2	179.3	0	0	0	110.5	D934 G935 T936 L938 L956 W959 I1196	L932-D934 WeakPolarHBondContact CB-OD1 3.46Å; L932-D934 PolarHBondContact O-N 3.39Å; L932-D934 VanDerWaalsContact O-N 3.11Å; L932-G935 PolarHBondContact O-N 3.47Å; L932-T936 HydrophobicContact CD1-CG2 4.46Å; L932-T936 PolarHBondContact N-O 3.15Å; L932-L938 HydrophobicContact CD1-CD1 4.01Å; L932-L938 HydrophobicContact CD2-CD1 4Å; L932-L938 HydrophobicContact CG-CD1 3.78Å; L932-L938 HydrophobicContact CG-CG 4.34Å; L932-L956 HydrophobicContact CD2-CD2 3.69Å; L932-W959 HydrophobicContact CD1-CB 4.42Å; L932-W959 HydrophobicContact CD1-CD2 3.56Å; L932-W959 HydrophobicContact CD1-CE3 4.1Å; L932-W959 HydrophobicContact CD1-CG 3.72Å; L932-W959 HydrophobicContact CD1-CZ2 4.12Å; L932-I1196 HydrophobicContact CD2-CB 4.37Å; L932-I1196 HydrophobicContact CD2-CD1 3.96Å
933	S	69.7	Low	78.9	Confident	89 Å²	89	41.8 Å²	41.8	62%	0.622	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-8.4	179.3	58.7	0	0	0	0	114.4	R1026	S933-R1026 PolarHBondContact O-NH1 3.46Å
934	D	74.4	Confident	79.3	Confident	73 Å²	73	38.8 Å²	38.8	39%	0.39	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-20.9	169.1	72.3	-23	0	0	0	112.9	L932 T936 R1026	L932-D934 WeakPolarHBondContact CB-OD1 3.46Å; L932-D934 PolarHBondContact O-N 3.39Å; L932-D934 VanDerWaalsContact O-N 3.11Å; D934-T936 VanDerWaalsContact CG-OG1 3.29Å; D934-T936 WeakPolarHBondContact OD1-CB 3.47Å; D934-T936 PolarHBondContact OD1-N 3.42Å; D934-T936 PolarHBondContact OD1-OG1 2.92Å; D934-T936 WeakPolarHBondContact OD2-CB 3.19Å; D934-T936 PolarHBondContact OD2-OG1 3.39Å; D934-R1026 WeakPolarHBondContact O-CD 3.38Å; D934-R1026 PolarHBondContact O-NH1 2.87Å
935	G	75.3	Confident	80.1	Confident	30 Å²	30	38.2 Å²	38.2	31%	0.309	20%	0.203	S	C	.	.	S	Bend	trans	106.7	-4.6	-172.8	0	0	0	0	0	114.2	L932 K937	L932-G935 PolarHBondContact O-N 3.47Å; G935-K937 PolarHBondContact O-N 3.41Å
936	T	77.5	Confident	80.6	Confident	49 Å²	49	35 Å²	35	30%	0.301	19%	0.191	S	C	.	.			trans	-65.2	120	179	-69.8	0	0	0	0	110.7	Y931 L932 D934 L938	Y931-T936 WeakPolarHBondContact CA-O 3.3Å; L932-T936 HydrophobicContact CD1-CG2 4.46Å; L932-T936 PolarHBondContact N-O 3.15Å; D934-T936 VanDerWaalsContact CG-OG1 3.29Å; D934-T936 WeakPolarHBondContact OD1-CB 3.47Å; D934-T936 PolarHBondContact OD1-N 3.42Å; D934-T936 PolarHBondContact OD1-OG1 2.92Å; D934-T936 WeakPolarHBondContact OD2-CB 3.19Å; D934-T936 PolarHBondContact OD2-OG1 3.39Å; T936-L938 HydrophobicContact CG2-CD2 3.98Å
937	K	80.5	Confident	81	Confident	97 Å²	97	35 Å²	35	42%	0.422	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	125.6	175.2	-169.4	174.1	-169	159.8	0	110.9	S929 S930 Y931 G935	S929-K937 VanDerWaalsContact OG-CE 3.3Å; S929-K937 WeakPolarHBondContact OG-CE 3.33Å; S930-K937 CarbonylContact O-C 3.5Å; S930-K937 WeakPolarHBondContact O-CA 3.34Å; Y931-K937 HydrophobicContact CD1-CB 4.05Å; Y931-K937 HydrophobicContact CD1-CG 4.34Å; Y931-K937 HydrophobicContact CE1-CB 3.83Å; Y931-K937 HydrophobicContact CE1-CD 3.99Å; Y931-K937 HydrophobicContact CE1-CG 3.91Å; Y931-K937 HydrophobicContact CE2-CD 4.32Å; Y931-K937 HydrophobicContact CE2-CG 4.21Å; Y931-K937 WeakPolarHBondContact OH-CD 3.43Å; Y931-K937 VanDerWaalsContact OH-CE 3.32Å; Y931-K937 WeakPolarHBondContact OH-CE 3.42Å; Y931-K937 PolarHBondContact OH-NZ 3.37Å; G935-K937 PolarHBondContact O-N 3.41Å
938	L	77.6	Confident	81.5	Confident	23 Å²	23	32.5 Å²	32.5	12%	0.12	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	162	173.6	-55.2	177.6	0	0	0	109.9	S929 S930 L932 T936 W959	S929-L938 CarbonylContact C-O 3.55Å; S929-L938 VanDerWaalsContact CA-O 3.31Å; S929-L938 WeakPolarHBondContact CA-O 3.39Å; S930-L938 PolarHBondContact N-O 2.8Å; S930-L938 PolarHBondContact O-N 3.25Å; L932-L938 HydrophobicContact CD1-CD1 4.01Å; L932-L938 HydrophobicContact CD2-CD1 4Å; L932-L938 HydrophobicContact CG-CD1 3.78Å; L932-L938 HydrophobicContact CG-CG 4.34Å; T936-L938 HydrophobicContact CG2-CD2 3.98Å; L938-W959 HydrophobicContact CD1-CB 4.09Å; L938-W959 HydrophobicContact CD2-CB 4.25Å; L938-W959 HydrophobicContact CD2-CG 4.33Å
939	K	80.7	Confident	81.9	Confident	78 Å²	78	35.1 Å²	35.1	34%	0.339	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	118.9	173.1	-72.1	-176.7	178.9	176.9	0	109.1	D735 V927 L928 Q958	D735-K939 VanDerWaalsContact CB-NZ 3.3Å; D735-K939 VanDerWaalsContact CG-NZ 3.27Å; D735-K939 IonicContact OD2-NZ 2.7Å; D735-K939 PolarHBondContact OD2-NZ 3.29Å; V927-K939 HydrophobicContact CG1-CB 4.03Å; L928-K939 WeakPolarHBondContact O-CA 3.16Å; K939-Q958 PolarHBondContact O-OE1 2.95Å
940	S	80.5	Confident	82.2	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.007	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	144.3	-172.7	-59.5	0	0	0	0	110.8	V927 L928 S955 Q958	V927-S940 WeakPolarHBondContact CA-O 3.41Å; V927-S940 WeakPolarHBondContact CG1-O 3.32Å; L928-S940 PolarHBondContact N-O 2.86Å; L928-S940 PolarHBondContact O-N 2.99Å; S940-S955 WeakPolarHBondContact OG-CA 3.4Å; S940-S955 PolarHBondContact OG-OG 3.1Å; S940-Q958 PolarHBondContact OG-OE1 2.87Å
941	Q	80.5	Confident	82.5	Confident	36 Å²	36	38.1 Å²	38.1	17%	0.168	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	143.8	175.9	176.9	-175.8	-1	0	0	109.8	F741 M926 E943 L954	F741-Q941 VanDerWaalsContact CD1-CD 3.47Å; F741-Q941 HydrophobicContact CD1-CG 4.14Å; F741-Q941 HydrophobicContact CE1-CB 4.27Å; F741-Q941 HydrophobicContact CE1-CG 3.91Å; M926-Q941 WeakPolarHBondContact O-CA 3.31Å; Q941-E943 PolarHBondContact NE2-OE1 3.05Å; Q941-L954 HydrophobicContact CB-CD2 4.26Å; Q941-L954 WeakPolarHBondContact O-CD2 3.37Å
942	V	84.5	Confident	82.8	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	146.1	167.5	73.1	0	0	0	0	108.7	M926 L928 T946 F951 L986 L987	M926-V942 HydrophobicContact CB-CG1 3.55Å; M926-V942 WeakPolarHBondContact CB-O 3.31Å; M926-V942 HydrophobicContact CE-CG1 4.38Å; M926-V942 PolarHBondContact O-N 2.98Å; M926-V942 VanDerWaalsContact O-N 3.07Å; L928-V942 HydrophobicContact CD1-CB 4.09Å; L928-V942 HydrophobicContact CD1-CG1 3.9Å; L928-V942 HydrophobicContact CD1-CG2 4.08Å; L928-V942 HydrophobicContact CG-CB 4.36Å; L928-V942 HydrophobicContact CG-CG1 3.86Å; V942-T946 HydrophobicContact CG2-CG2 4.07Å; V942-F951 HydrophobicContact CB-CD2 4.49Å; V942-L986 HydrophobicContact CG2-CD2 4.39Å; V942-L987 HydrophobicContact CG1-CD2 4.32Å; V942-L987 HydrophobicContact CG2-CD2 3.99Å; V942-L987 HydrophobicContact CG2-CG 4.31Å
943	E	86.1	Confident	83.1	Confident	43 Å²	43	35.8 Å²	35.8	20%	0.201	20%	0.195	C	C	.	.			trans	-121.1	164.2	169	-63.5	-64	160.6	0	0	108.4	Q941 W945 T946	Q941-E943 PolarHBondContact NE2-OE1 3.05Å; E943-W945 PolarHBondContact O-N 3.1Å; E943-T946 PolarHBondContact N-OG1 3.01Å; E943-T946 WeakPolarHBondContact O-CB 3.27Å; E943-T946 PolarHBondContact O-N 3.37Å; E943-T946 PolarHBondContact O-OG1 3.22Å
944	S	87.6	Confident	83.8	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.007	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-25.2	-175.3	-63.2	0	0	0	0	115	S864 K895 E916	S864-S944 WeakPolarHBondContact CB-OG 3.45Å; S864-S944 PolarHBondContact OG-OG 3.34Å; K895-S944 PolarHBondContact NZ-OG 3.02Å; E916-S944 WeakPolarHBondContact OE1-CB 3.44Å; E916-S944 PolarHBondContact OE1-OG 2.97Å
945	W	88	Confident	84.3	Confident	18 Å²	18	29.9 Å²	29.9	7%	0.068	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	8.2	-178.1	-60.5	108	0	0	0	113.5	S863 S865 K895 H898 S899 T906 R908 E943 K947 Y985	S863-W945 WeakPolarHBondContact O-CZ2 3.33Å; S863-W945 PolarHBondContact O-NE1 3Å; S863-W945 VanDerWaalsContact O-NE1 3.14Å; S865-W945 VanDerWaalsContact C-CH2 3.49Å; S865-W945 VanDerWaalsContact O-CH2 3.3Å; S865-W945 WeakPolarHBondContact O-CH2 3.36Å; K895-W945 PolarHBondContact O-NE1 3.46Å; K895-W945 VanDerWaalsContact O-NE1 3.14Å; H898-W945 HydrophobicContact CB-CB 4.25Å; H898-W945 HydrophobicContact CB-CG 4.18Å; S899-W945 VanDerWaalsContact CB-CZ2 3.46Å; T906-W945 WeakPolarHBondContact O-CH2 3.46Å; R908-W945 HydrophobicContact CG-CE3 4.33Å; R908-W945 HydrophobicContact CG-CZ3 4.01Å; E943-W945 PolarHBondContact O-N 3.1Å; W945-K947 PolarHBondContact O-N 3.26Å; W945-Y985 AromaticContact CE3-CE1 3.89Å; W945-Y985 HydrophobicContact CE3-CE1 3.89Å; W945-Y985 HydrophobicContact CE3-CE2 4.23Å; W945-Y985 AromaticContact CE3-CZ 3.68Å; W945-Y985 HydrophobicContact CZ3-CE2 4.2Å; W945-Y985 AromaticContact CZ3-CZ 3.98Å; W945-Y985 WeakPolarHBondContact O-CD1 3.4Å; W945-Y985 WeakPolarHBondContact O-CE1 3.24Å
946	T	87	Confident	84.7	Confident	20 Å²	20	28.8 Å²	28.8	12%	0.123	14%	0.143	C	C	.	.			trans	-69.6	122.3	-178.1	-63.1	0	0	0	0	111.7	V942 E943 D950 F951 L986	V942-T946 HydrophobicContact CG2-CG2 4.07Å; E943-T946 PolarHBondContact N-OG1 3.01Å; E943-T946 WeakPolarHBondContact O-CB 3.27Å; E943-T946 PolarHBondContact O-N 3.37Å; E943-T946 PolarHBondContact O-OG1 3.22Å; T946-D950 HydrophobicContact CG2-CB 3.89Å; T946-F951 HydrophobicContact CG2-CB 3.87Å; T946-L986 PolarHBondContact O-N 3.46Å
947	K	88.1	Confident	85.1	Confident	6 Å²	6	29.7 Å²	29.7	3%	0.026	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-78	160.8	174.6	-70.6	176.2	162.3	176.6	0	111.8	D902 N904 W945 E949 D950 F951 N983 H984 Y985	D902-K947 VanDerWaalsContact CG-NZ 3.31Å; D902-K947 IonicContact OD1-NZ 3.29Å; D902-K947 PolarHBondContact OD1-NZ 3.33Å; D902-K947 WeakPolarHBondContact OD2-CE 3.32Å; D902-K947 IonicContact OD2-NZ 3.93Å; D902-K947 PolarHBondContact OD2-NZ 2.91Å; N904-K947 PolarHBondContact O-NZ 2.87Å; W945-K947 PolarHBondContact O-N 3.26Å; K947-E949 VanDerWaalsContact C-N 3.28Å; K947-E949 HydrophobicContact CB-CG 4.47Å; K947-E949 PolarHBondContact O-N 3.32Å; K947-D950 PolarHBondContact N-OD2 3.4Å; K947-D950 WeakPolarHBondContact O-CB 3.33Å; K947-D950 PolarHBondContact O-N 2.9Å; K947-F951 PolarHBondContact O-N 3.25Å; K947-F951 VanDerWaalsContact O-N 3.15Å; K947-N983 WeakPolarHBondContact CE-O 3.37Å; K947-N983 PolarHBondContact NZ-OD1 3.11Å; K947-N983 VanDerWaalsContact NZ-OD1 3.17Å; K947-H984 CarbonylContact C-O 3.53Å; K947-H984 VanDerWaalsContact CA-O 3.31Å; K947-H984 WeakPolarHBondContact CA-O 3.23Å; K947-Y985 HydrophobicContact CG-CD1 4.09Å; K947-Y985 HydrophobicContact CG-CE1 4.15Å
948	A	87.7	Confident	85	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.8	-40.5	178.6	0	0	0	0	0	111.8	F951 A952 V969 L980 G982 H984	A948-F951 PolarHBondContact O-N 3.35Å; A948-A952 WeakPolarHBondContact O-CB 3.05Å; A948-A952 PolarHBondContact O-N 3.06Å; A948-V969 HydrophobicContact CB-CB 4.25Å; A948-V969 HydrophobicContact CB-CG2 4.42Å; A948-V969 WeakPolarHBondContact O-CG2 3.34Å; A948-L980 HydrophobicContact CB-CB 3.88Å; A948-L980 HydrophobicContact CB-CD2 4.24Å; A948-G982 PolarHBondContact N-O 3.45Å; A948-H984 PolarHBondContact N-O 2.89Å
949	E	89	Confident	85.1	Confident	77 Å²	77	34.2 Å²	34.2	36%	0.36	16%	0.16	S	C	.	.	H	α-helix	trans	-69.5	-38	177.2	71.3	-173.7	165.3	0	0	113.3	K947 F951 A952 S953 W967 G982	K947-E949 VanDerWaalsContact C-N 3.28Å; K947-E949 HydrophobicContact CB-CG 4.47Å; K947-E949 PolarHBondContact O-N 3.32Å; E949-F951 VanDerWaalsContact C-N 3.3Å; E949-F951 PolarHBondContact O-N 3.49Å; E949-A952 PolarHBondContact O-N 3.32Å; E949-S953 WeakPolarHBondContact O-CB 3.44Å; E949-S953 PolarHBondContact O-N 3.42Å; E949-W967 WeakPolarHBondContact CA-O 3.19Å; E949-G982 WeakPolarHBondContact CG-O 3.44Å; E949-G982 PolarHBondContact N-O 3.37Å
950	D	87.7	Confident	85.1	Confident	85 Å²	85	33.1 Å²	33.1	46%	0.455	17%	0.172	S	C	.	.	H	α-helix	trans	-58	-45.8	174.4	-75.5	-45.3	0	0	0	110.8	T946 K947 L954	T946-D950 HydrophobicContact CG2-CB 3.89Å; K947-D950 PolarHBondContact N-OD2 3.4Å; K947-D950 WeakPolarHBondContact O-CB 3.33Å; K947-D950 PolarHBondContact O-N 2.9Å; D950-L954 WeakPolarHBondContact O-CB 3.47Å; D950-L954 PolarHBondContact O-N 2.83Å
951	F	88.1	Confident	84.9	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-72	-39.2	-176.7	-176.8	-96	0	0	0	112.5	L928 V942 T946 K947 A948 E949 S955 V969 L986 I1194	L928-F951 HydrophobicContact CB-CE2 3.85Å; L928-F951 HydrophobicContact CB-CZ 3.75Å; L928-F951 HydrophobicContact CD1-CE2 4.48Å; V942-F951 HydrophobicContact CB-CD2 4.49Å; T946-F951 HydrophobicContact CG2-CB 3.87Å; K947-F951 PolarHBondContact O-N 3.25Å; K947-F951 VanDerWaalsContact O-N 3.15Å; A948-F951 PolarHBondContact O-N 3.35Å; E949-F951 VanDerWaalsContact C-N 3.3Å; E949-F951 PolarHBondContact O-N 3.49Å; F951-S955 WeakPolarHBondContact O-CB 3.37Å; F951-S955 PolarHBondContact O-N 3.39Å; F951-S955 PolarHBondContact O-OG 2.74Å; F951-V969 HydrophobicContact CD1-CG2 3.94Å; F951-L986 HydrophobicContact CB-CD2 3.97Å; F951-L986 HydrophobicContact CD1-CD2 3.67Å; F951-L986 HydrophobicContact CD2-CD2 3.89Å; F951-L986 HydrophobicContact CE1-CD2 4.07Å; F951-L986 HydrophobicContact CE2-CD2 4.3Å; F951-L986 HydrophobicContact CG-CD2 3.55Å; F951-L986 HydrophobicContact CZ-CD2 4.38Å; F951-I1194 HydrophobicContact CE1-CG2 3.8Å
952	A	87.7	Confident	84.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.7	-48.2	172.1	0	0	0	0	0	111.4	A948 E949 L954 S955 L956 W967 V969 I1196	A948-A952 WeakPolarHBondContact O-CB 3.05Å; A948-A952 PolarHBondContact O-N 3.06Å; E949-A952 PolarHBondContact O-N 3.32Å; A952-L954 PolarHBondContact O-N 3.48Å; A952-S955 PolarHBondContact O-N 3.34Å; A952-L956 WeakPolarHBondContact O-CB 3.45Å; A952-L956 WeakPolarHBondContact O-CG 3.32Å; A952-L956 PolarHBondContact O-N 2.92Å; A952-W967 HydrophobicContact CB-CB 3.97Å; A952-V969 HydrophobicContact CB-CG2 4.19Å; A952-I1196 HydrophobicContact CB-CG1 4.36Å; A952-I1196 HydrophobicContact CB-CG2 4.11Å
953	S	87.1	Confident	84.2	Confident	24 Å²	24	49.1 Å²	49.1	17%	0.168	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-43.4	177.4	-176.1	0	0	0	0	111.9	E949 Q957 H964	E949-S953 WeakPolarHBondContact O-CB 3.44Å; E949-S953 PolarHBondContact O-N 3.42Å; S953-Q957 WeakPolarHBondContact O-CB 3.32Å; S953-Q957 PolarHBondContact O-N 3.3Å; S953-H964 WeakPolarHBondContact CA-O 3.4Å; S953-H964 WeakPolarHBondContact CB-O 3.07Å; S953-H964 PolarHBondContact OG-ND1 3.01Å; S953-H964 PolarHBondContact OG-O 2.95Å
954	L	85.5	Confident	83.8	Confident	39 Å²	39	48.9 Å²	48.9	20%	0.204	25%	0.249	C	C	.	.	H	α-helix	trans	-63.6	-45.3	174.7	-179.6	61.8	0	0	0	112.1	Q941 D950 A952 Q957 Q958	Q941-L954 HydrophobicContact CB-CD2 4.26Å; Q941-L954 WeakPolarHBondContact O-CD2 3.37Å; D950-L954 WeakPolarHBondContact O-CB 3.47Å; D950-L954 PolarHBondContact O-N 2.83Å; A952-L954 PolarHBondContact O-N 3.48Å; L954-Q957 PolarHBondContact O-N 3.08Å; L954-Q958 HydrophobicContact CD1-CG 4.31Å; L954-Q958 WeakPolarHBondContact O-CB 3.48Å; L954-Q958 VanDerWaalsContact O-CG 3.25Å; L954-Q958 WeakPolarHBondContact O-CG 3.39Å; L954-Q958 PolarHBondContact O-N 3.48Å
955	S	84	Confident	83.3	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.8	-48.4	178	-62.5	0	0	0	0	111.4	S930 S940 F951 A952 Q958 W959	S930-S955 PolarHBondContact OG-OG 3.43Å; S940-S955 WeakPolarHBondContact OG-CA 3.4Å; S940-S955 PolarHBondContact OG-OG 3.1Å; F951-S955 WeakPolarHBondContact O-CB 3.37Å; F951-S955 PolarHBondContact O-N 3.39Å; F951-S955 PolarHBondContact O-OG 2.74Å; A952-S955 PolarHBondContact O-N 3.34Å; S955-Q958 PolarHBondContact O-N 2.58Å; S955-W959 PolarHBondContact O-N 2.89Å
956	L	84.5	Confident	82.9	Confident	6 Å²	6	55 Å²	55	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-65.9	-40.6	178.8	-73.1	170	0	0	0	112.1	L932 A952 Q958 W959 G960 F961 H964 W967 I1196	L932-L956 HydrophobicContact CD2-CD2 3.69Å; A952-L956 WeakPolarHBondContact O-CB 3.45Å; A952-L956 WeakPolarHBondContact O-CG 3.32Å; A952-L956 PolarHBondContact O-N 2.92Å; L956-Q958 VanDerWaalsContact C-N 3.3Å; L956-Q958 PolarHBondContact O-N 2.92Å; L956-W959 PolarHBondContact O-N 3.27Å; L956-G960 PolarHBondContact O-N 2.93Å; L956-F961 HydrophobicContact CB-CB 4.11Å; L956-F961 HydrophobicContact CD2-CB 4.21Å; L956-F961 HydrophobicContact CD2-CD1 4.36Å; L956-F961 HydrophobicContact CD2-CG 4.37Å; L956-F961 PolarHBondContact O-N 3.14Å; L956-H964 HydrophobicContact CB-CB 3.7Å; L956-W967 HydrophobicContact CD1-CB 3.73Å; L956-W967 HydrophobicContact CD1-CD2 3.51Å; L956-W967 HydrophobicContact CD1-CE3 4.08Å; L956-W967 HydrophobicContact CD1-CG 3.31Å; L956-I1196 HydrophobicContact CD1-CG2 3.92Å; L956-I1196 HydrophobicContact CD2-CG2 4.4Å; L956-I1196 HydrophobicContact CG-CG2 4.14Å
957	Q	84.5	Confident	82.6	Confident	69 Å²	69	56.4 Å²	56.4	32%	0.322	30%	0.295	S	S	.	.	H	α-helix	trans	-65.3	-32.2	174.1	-174.6	170.2	110.8	0	0	112.3	R742 S953 L954 H964	R742-Q957 VanDerWaalsContact CZ-OE1 3.28Å; S953-Q957 WeakPolarHBondContact O-CB 3.32Å; S953-Q957 PolarHBondContact O-N 3.3Å; L954-Q957 PolarHBondContact O-N 3.08Å; Q957-H964 PolarHBondContact NE2-CE1 3.17Å; Q957-H964 VanDerWaalsContact NE2-CE1 3.29Å; Q957-H964 PolarHBondContact NE2-NE2 2.89Å
958	Q	79.5	Confident	82.6	Confident	84 Å²	84	56.6 Å²	56.6	39%	0.393	30%	0.297	S	S	.	.	H	α-helix	trans	-73.3	-33.8	173.5	-76.9	176.1	-15.6	0	0	112.9	K939 S940 L954 S955 L956 G960	K939-Q958 PolarHBondContact O-OE1 2.95Å; S940-Q958 PolarHBondContact OG-OE1 2.87Å; L954-Q958 HydrophobicContact CD1-CG 4.31Å; L954-Q958 WeakPolarHBondContact O-CB 3.48Å; L954-Q958 VanDerWaalsContact O-CG 3.25Å; L954-Q958 WeakPolarHBondContact O-CG 3.39Å; L954-Q958 PolarHBondContact O-N 3.48Å; S955-Q958 PolarHBondContact O-N 2.58Å; L956-Q958 VanDerWaalsContact C-N 3.3Å; L956-Q958 PolarHBondContact O-N 2.92Å; Q958-G960 VanDerWaalsContact C-N 3.33Å
959	W	78.5	Confident	82.5	Confident	130 Å²	130	56.7 Å²	56.7	49%	0.492	30%	0.297	S	S	.	.	H	α-helix	trans	-73.4	-24.8	173.2	-169.2	69.5	0	0	0	113	L932 L938 S955 L956 F961	L932-W959 HydrophobicContact CD1-CB 4.42Å; L932-W959 HydrophobicContact CD1-CD2 3.56Å; L932-W959 HydrophobicContact CD1-CE3 4.1Å; L932-W959 HydrophobicContact CD1-CG 3.72Å; L932-W959 HydrophobicContact CD1-CZ2 4.12Å; L938-W959 HydrophobicContact CD1-CB 4.09Å; L938-W959 HydrophobicContact CD2-CB 4.25Å; L938-W959 HydrophobicContact CD2-CG 4.33Å; S955-W959 PolarHBondContact O-N 2.89Å; L956-W959 PolarHBondContact O-N 3.27Å; W959-F961 HydrophobicContact CE3-CB 4.22Å; W959-F961 HydrophobicContact CE3-CD2 4.44Å; W959-F961 HydrophobicContact CZ3-CD2 4.05Å
960	G	81	Confident	82.3	Confident	56 Å²	56	53.6 Å²	53.6	58%	0.577	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.6	28.1	178.5	0	0	0	0	0	114.4	L956 Q958	L956-G960 PolarHBondContact O-N 2.93Å; Q958-G960 VanDerWaalsContact C-N 3.33Å
961	F	75.8	Confident	82.1	Confident	76 Å²	76	49.5 Å²	49.5	33%	0.333	26%	0.262	S	S	.	.			trans	-83	123.3	173.4	-159	-113.5	0	0	0	110.7	L956 W959 E963 W967	L956-F961 HydrophobicContact CB-CB 4.11Å; L956-F961 HydrophobicContact CD2-CB 4.21Å; L956-F961 HydrophobicContact CD2-CD1 4.36Å; L956-F961 HydrophobicContact CD2-CG 4.37Å; L956-F961 PolarHBondContact O-N 3.14Å; W959-F961 HydrophobicContact CE3-CB 4.22Å; W959-F961 HydrophobicContact CE3-CD2 4.44Å; W959-F961 HydrophobicContact CZ3-CD2 4.05Å; F961-E963 HydrophobicContact CD1-CB 4.35Å; F961-E963 WeakPolarHBondContact CD1-O 3.31Å; F961-E963 HydrophobicContact CE1-CB 3.9Å; F961-E963 WeakPolarHBondContact CE1-O 3.44Å; F961-W967 AromaticContact CE1-CZ2 3.71Å; F961-W967 HydrophobicContact CE1-CZ2 3.71Å; F961-W967 AromaticContact CE1-NE1 4Å; F961-W967 HydrophobicContact CZ-CZ2 4.13Å
962	D	73.1	Confident	81.5	Confident	160 Å²	160	51 Å²	51	86%	0.856	27%	0.269	S	S	*	.	S	Bend	trans	-73.3	-27.9	-177.1	-75.2	-40.9	0	0	0	113.1	H964	D962-H964 PolarHBondContact O-N 2.69Å
963	E	77.7	Confident	80.7	Confident	138 Å²	138	53.2 Å²	53.2	65%	0.645	28%	0.281	S	S	*	.			trans	-101.1	54.4	-179.9	-68.9	-168	-155.5	0	0	112.5	F961 N965 W967	F961-E963 HydrophobicContact CD1-CB 4.35Å; F961-E963 WeakPolarHBondContact CD1-O 3.31Å; F961-E963 HydrophobicContact CE1-CB 3.9Å; F961-E963 WeakPolarHBondContact CE1-O 3.44Å; E963-N965 VanDerWaalsContact C-N 3.33Å; E963-N965 PolarHBondContact O-N 2.99Å; E963-W967 PolarHBondContact O-NE1 3.42Å
964	H	78.6	Confident	79.8	Confident	38 Å²	38	57.6 Å²	57.6	18%	0.176	30%	0.299	C	S	.	.			trans	-80	0.8	-173.2	61.4	67.8	0	0	0	115.9	S953 L956 Q957 D962	S953-H964 WeakPolarHBondContact CA-O 3.4Å; S953-H964 WeakPolarHBondContact CB-O 3.07Å; S953-H964 PolarHBondContact OG-ND1 3.01Å; S953-H964 PolarHBondContact OG-O 2.95Å; L956-H964 HydrophobicContact CB-CB 3.7Å; Q957-H964 PolarHBondContact NE2-CE1 3.17Å; Q957-H964 VanDerWaalsContact NE2-CE1 3.29Å; Q957-H964 PolarHBondContact NE2-NE2 2.89Å; D962-H964 PolarHBondContact O-N 2.69Å
965	N	76.1	Confident	78.9	Confident	111 Å²	111	59.3 Å²	59.3	59%	0.594	32%	0.315	S	S	*	.	S	Bend	trans	-96	141.7	-179.9	-70.3	-3.6	0	0	0	111.9	E963	E963-N965 VanDerWaalsContact C-N 3.33Å; E963-N965 PolarHBondContact O-N 2.99Å
966	G	79.7	Confident	78.2	Confident	37 Å²	37	60.5 Å²	60.5	38%	0.381	32%	0.322	S	S	.	.	S	Bend	trans	85.3	24.4	-178	0	0	0	0	0	114.3	W1199	G966-W1199 WeakPolarHBondContact O-CB 3.38Å; G966-W1199 PolarHBondContact O-N 2.98Å
967	W	82	Confident	78	Confident	48 Å²	48	62.1 Å²	62.1	18%	0.182	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	147.2	173.8	-65.6	78.5	0	0	0	109.7	E949 A952 L956 F961 E963 I1196 A1197 D1198	E949-W967 WeakPolarHBondContact CA-O 3.19Å; A952-W967 HydrophobicContact CB-CB 3.97Å; L956-W967 HydrophobicContact CD1-CB 3.73Å; L956-W967 HydrophobicContact CD1-CD2 3.51Å; L956-W967 HydrophobicContact CD1-CE3 4.08Å; L956-W967 HydrophobicContact CD1-CG 3.31Å; F961-W967 AromaticContact CE1-CZ2 3.71Å; F961-W967 HydrophobicContact CE1-CZ2 3.71Å; F961-W967 AromaticContact CE1-NE1 4Å; F961-W967 HydrophobicContact CZ-CZ2 4.13Å; E963-W967 PolarHBondContact O-NE1 3.42Å; W967-I1196 HydrophobicContact CB-CG2 4.32Å; W967-I1196 HydrophobicContact CD2-CG2 4.5Å; W967-I1196 HydrophobicContact CE3-CG2 3.85Å; W967-A1197 CarbonylContact C-O 3.57Å; W967-A1197 WeakPolarHBondContact CA-O 3.49Å; W967-D1198 HydrophobicContact CD2-CB 4.36Å; W967-D1198 HydrophobicContact CE3-CB 3.96Å; W967-D1198 HydrophobicContact CH2-CB 3.86Å; W967-D1198 HydrophobicContact CZ2-CB 4.28Å; W967-D1198 HydrophobicContact CZ3-CB 3.7Å
968	T	87.3	Confident	77.7	Confident	11 Å²	11	60 Å²	60	7%	0.067	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	-175.8	176	-164.6	0	0	0	0	110.9	L980 I1196 A1197 W1199	T968-L980 WeakPolarHBondContact CG2-O 3.31Å; T968-L980 PolarHBondContact OG1-O 3.01Å; T968-I1196 WeakPolarHBondContact O-CA 3.47Å; T968-A1197 PolarHBondContact N-O 3.16Å; T968-A1197 PolarHBondContact O-N 3.47Å; T968-W1199 HydrophobicContact CG2-CE3 3.99Å; T968-W1199 HydrophobicContact CG2-CZ3 4.43Å
969	V	85.1	Confident	77.9	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.006	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	144.9	179.8	174.8	0	0	0	0	110	A948 F951 A952 I971 L980 L986 I1194 V1195	A948-V969 HydrophobicContact CB-CB 4.25Å; A948-V969 HydrophobicContact CB-CG2 4.42Å; A948-V969 WeakPolarHBondContact O-CG2 3.34Å; F951-V969 HydrophobicContact CD1-CG2 3.94Å; A952-V969 HydrophobicContact CB-CG2 4.19Å; V969-I971 HydrophobicContact CG1-CG1 4.44Å; V969-L980 HydrophobicContact CB-CD1 4.28Å; V969-L980 HydrophobicContact CG1-CD1 4.1Å; V969-L980 WeakPolarHBondContact O-CB 3.11Å; V969-L980 VanDerWaalsContact O-CD1 3.24Å; V969-L980 WeakPolarHBondContact O-CD1 3.39Å; V969-L980 PolarHBondContact O-N 3.39Å; V969-L986 HydrophobicContact CG1-CD1 3.97Å; V969-I1194 HydrophobicContact CG1-CG2 3.52Å; V969-V1195 CarbonylContact C-O 3.57Å; V969-V1195 VanDerWaalsContact CA-O 3.32Å; V969-V1195 WeakPolarHBondContact CA-O 3.24Å
970	S	85.8	Confident	78	Confident	12 Å²	12	52.2 Å²	52.2	8%	0.084	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	145.5	157.4	58.6	0	0	0	0	111	F978 H979 I1194 V1195	S970-F978 CarbonylContact C-O 3.56Å; S970-F978 VanDerWaalsContact CA-O 3.26Å; S970-F978 WeakPolarHBondContact CA-O 3.46Å; S970-H979 WeakPolarHBondContact CB-ND1 3.35Å; S970-I1194 WeakPolarHBondContact O-CA 3.43Å; S970-V1195 PolarHBondContact N-O 2.92Å; S970-V1195 PolarHBondContact O-N 3.44Å
971	I	82.1	Confident	78.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	109.3	175.8	-71.5	174.1	0	0	0	107.6	V969 I977 F978 L980 L986 F989 I990 L993 M1192 I1194	V969-I971 HydrophobicContact CG1-CG1 4.44Å; I971-I977 WeakPolarHBondContact O-CA 3.33Å; I971-F978 HydrophobicContact CB-CB 4.46Å; I971-F978 HydrophobicContact CG2-CD2 4.43Å; I971-F978 PolarHBondContact N-O 3Å; I971-F978 PolarHBondContact O-N 2.67Å; I971-L980 HydrophobicContact CB-CD1 4.45Å; I971-L980 HydrophobicContact CD1-CD1 4.02Å; I971-L980 HydrophobicContact CG1-CD1 3.91Å; I971-L986 HydrophobicContact CD1-CD1 4.08Å; I971-F989 HydrophobicContact CD1-CB 3.78Å; I971-I990 HydrophobicContact CD1-CG1 4.44Å; I971-L993 HydrophobicContact CG2-CD1 4Å; I971-M1192 HydrophobicContact CD1-CE 4.42Å; I971-M1192 HydrophobicContact CG2-CE 3.52Å; I971-M1192 HydrophobicContact CG2-CG 4.33Å; I971-I1194 HydrophobicContact CG1-CG1 4.49Å
972	E	76.6	Confident	78.5	Confident	30 Å²	30	48.3 Å²	48.3	14%	0.14	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	133.4	176	171	179.3	-163.2	0	0	110	I977 K1011 M1192 K1193	E972-I977 HydrophobicContact CB-CG1 4.33Å; E972-I977 HydrophobicContact CG-CG1 4.3Å; E972-K1011 VanDerWaalsContact CG-NZ 3.34Å; E972-K1011 VanDerWaalsContact OE1-CE 3.26Å; E972-K1011 WeakPolarHBondContact OE1-CE 3.4Å; E972-K1011 IonicContact OE1-NZ 3.73Å; E972-K1011 PolarHBondContact OE1-NZ 3.49Å; E972-M1192 CarbonylContact O-C 3.56Å; E972-M1192 VanDerWaalsContact O-CA 3.28Å; E972-M1192 WeakPolarHBondContact O-CA 3.35Å; E972-K1193 HydrophobicContact CB-CB 4.15Å; E972-K1193 WeakPolarHBondContact CB-O 3.49Å; E972-K1193 HydrophobicContact CG-CB 4.45Å; E972-K1193 PolarHBondContact N-O 3.43Å; E972-K1193 PolarHBondContact O-N 3.49Å; E972-K1193 IonicContact OE2-NZ 3.53Å; E972-K1193 PolarHBondContact OE2-NZ 3.02Å
973	N	69.9	Low	79	Confident	48 Å²	48	44 Å²	44	26%	0.257	24%	0.241	S	C	.	.			trans	-123.2	-173.7	168.3	-167	7.1	0	0	0	109.1	S975 T976 K1011	N973-S975 PolarHBondContact O-N 2.87Å; N973-T976 PolarHBondContact N-O 2.7Å; N973-K1011 WeakPolarHBondContact O-CE 3.31Å; N973-K1011 PolarHBondContact O-NZ 3.13Å
974	E	67.8	Low	79.5	Confident	115 Å²	115	39.5 Å²	39.5	54%	0.537	22%	0.219	S	C	.	.	S	Bend	trans	-54.2	-51.6	178.8	-83.5	-163.9	126.5	0	0	113.7	K1011 A1190	E974-K1011 WeakPolarHBondContact O-CD 3.24Å; E974-A1190 VanDerWaalsContact CD-CB 3.46Å; E974-A1190 VanDerWaalsContact CG-CA 3.42Å; E974-A1190 HydrophobicContact CG-CB 3.48Å; E974-A1190 VanDerWaalsContact CG-CB 3.48Å; E974-A1190 WeakPolarHBondContact OE1-CB 3.17Å; E974-A1190 PolarHBondContact OE1-N 3.4Å
975	S	68.5	Low	79.9	Confident	76 Å²	76	38.4 Å²	38.4	53%	0.531	21%	0.214	S	C	.	.	S	Bend	trans	-107.9	-15.5	-169.4	56.6	0	0	0	0	114.4	N973 M1010 K1011	N973-S975 PolarHBondContact O-N 2.87Å; S975-M1010 WeakPolarHBondContact O-CA 3.39Å; S975-K1011 PolarHBondContact O-N 3.34Å
976	T	68.8	Low	80.4	Confident	25 Å²	25	33.1 Å²	33.1	15%	0.153	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	147.3	-169.3	44.1	0	0	0	0	111.7	N973 F978 M1010	N973-T976 PolarHBondContact N-O 2.7Å; T976-F978 WeakPolarHBondContact OG1-CE2 3.24Å; T976-M1010 HydrophobicContact CG2-CG 4.38Å
977	I	79.4	Confident	80.8	Confident	39 Å²	39	31.4 Å²	31.4	20%	0.2	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	120.1	168.7	-53.1	170.9	0	0	0	107.1	I971 E972 H979 A1008 S1009 K1011	I971-I977 WeakPolarHBondContact O-CA 3.33Å; E972-I977 HydrophobicContact CB-CG1 4.33Å; E972-I977 HydrophobicContact CG-CG1 4.3Å; I977-H979 VanDerWaalsContact CG2-CE1 3.47Å; I977-H979 WeakPolarHBondContact CG2-CE1 3.41Å; I977-A1008 WeakPolarHBondContact O-CA 3.44Å; I977-S1009 PolarHBondContact N-O 3.11Å; I977-S1009 PolarHBondContact O-N 3.16Å; I977-S1009 PolarHBondContact O-OG 2.91Å; I977-K1011 HydrophobicContact CD1-CG 4.23Å; I977-K1011 HydrophobicContact CG1-CG 4.2Å
978	F	79.1	Confident	81.1	Confident	24 Å²	24	29.4 Å²	29.4	11%	0.105	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	112.2	176.9	-57	-85.5	0	0	0	109	S970 I971 T976 L993 A1008	S970-F978 CarbonylContact C-O 3.56Å; S970-F978 VanDerWaalsContact CA-O 3.26Å; S970-F978 WeakPolarHBondContact CA-O 3.46Å; I971-F978 HydrophobicContact CB-CB 4.46Å; I971-F978 HydrophobicContact CG2-CD2 4.43Å; I971-F978 PolarHBondContact N-O 3Å; I971-F978 PolarHBondContact O-N 2.67Å; T976-F978 WeakPolarHBondContact OG1-CE2 3.24Å; F978-L993 HydrophobicContact CE2-CD1 4.29Å; F978-L993 HydrophobicContact CE2-CD2 4.02Å; F978-L993 HydrophobicContact CZ-CD2 4.24Å; F978-A1008 HydrophobicContact CD1-CB 3.85Å; F978-A1008 HydrophobicContact CE1-CB 3.99Å
979	H	82.4	Confident	80.9	Confident	50 Å²	50	29.5 Å²	29.5	23%	0.231	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	120.9	175.4	-52	-76.3	0	0	0	109.2	S970 I977 I1007 S1009	S970-H979 WeakPolarHBondContact CB-ND1 3.35Å; I977-H979 VanDerWaalsContact CG2-CE1 3.47Å; I977-H979 WeakPolarHBondContact CG2-CE1 3.41Å; H979-I1007 HydrophobicContact CB-CB 4.36Å; H979-I1007 PolarHBondContact CD2-O 3.23Å; H979-I1007 VanDerWaalsContact CD2-O 3.22Å; H979-I1007 PolarHBondContact N-O 3.44Å; H979-S1009 PolarHBondContact NE2-OG 2.78Å
980	L	82	Confident	80.9	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.01	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-87.8	140.2	-179.2	-65	94.1	0	0	0	110.8	A948 T968 V969 I971 H984 L986 F989	A948-L980 HydrophobicContact CB-CB 3.88Å; A948-L980 HydrophobicContact CB-CD2 4.24Å; T968-L980 WeakPolarHBondContact CG2-O 3.31Å; T968-L980 PolarHBondContact OG1-O 3.01Å; V969-L980 HydrophobicContact CB-CD1 4.28Å; V969-L980 HydrophobicContact CG1-CD1 4.1Å; V969-L980 WeakPolarHBondContact O-CB 3.11Å; V969-L980 VanDerWaalsContact O-CD1 3.24Å; V969-L980 WeakPolarHBondContact O-CD1 3.39Å; V969-L980 PolarHBondContact O-N 3.39Å; I971-L980 HydrophobicContact CB-CD1 4.45Å; I971-L980 HydrophobicContact CD1-CD1 4.02Å; I971-L980 HydrophobicContact CG1-CD1 3.91Å; L980-H984 HydrophobicContact CB-CB 4.28Å; L980-H984 HydrophobicContact CD2-CB 3.93Å; L980-L986 HydrophobicContact CD2-CD1 4.38Å; L980-F989 HydrophobicContact CD2-CB 4.25Å; L980-F989 HydrophobicContact CD2-CD1 4.48Å; L980-F989 HydrophobicContact CD2-CD2 3.44Å; L980-F989 VanDerWaalsContact CD2-CD2 3.44Å; L980-F989 HydrophobicContact CD2-CE2 3.9Å; L980-F989 HydrophobicContact CD2-CG 3.78Å; L980-F989 HydrophobicContact CG-CD2 4.26Å; L980-F989 HydrophobicContact CG-CE2 4.47Å; L980-F989 HydrophobicContact CG-CG 4.32Å
981	S	83.7	Confident	80.8	Confident	40 Å²	40	29.7 Å²	29.7	28%	0.28	16%	0.16	S	C	.	.	P	Polyproline II helix	trans	-66.2	146.7	159.2	-178	0	0	0	0	109.3	N983 H984	S981-N983 PolarHBondContact O-N 2.7Å; S981-N983 VanDerWaalsContact O-N 3.08Å; S981-H984 WeakPolarHBondContact CB-NE2 3.35Å; S981-H984 PolarHBondContact N-ND1 2.71Å; S981-H984 WeakPolarHBondContact O-CB 3.4Å; S981-H984 PolarHBondContact O-N 2.83Å
982	G	81.9	Confident	80.7	Confident	9 Å²	9	31.4 Å²	31.4	9%	0.093	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-35.7	-177.3	0	0	0	0	0	113.5	A948 E949 H984	A948-G982 PolarHBondContact N-O 3.45Å; E949-G982 WeakPolarHBondContact CG-O 3.44Å; E949-G982 PolarHBondContact N-O 3.37Å; G982-H984 VanDerWaalsContact C-N 3.33Å; G982-H984 PolarHBondContact O-N 3Å
983	N	85.4	Confident	80.8	Confident	71 Å²	71	32.9 Å²	32.9	38%	0.38	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-8.4	-179.9	-84.2	-66.1	0	0	0	115.8	K947 S981	K947-N983 WeakPolarHBondContact CE-O 3.37Å; K947-N983 PolarHBondContact NZ-OD1 3.11Å; K947-N983 VanDerWaalsContact NZ-OD1 3.17Å; S981-N983 PolarHBondContact O-N 2.7Å; S981-N983 VanDerWaalsContact O-N 3.08Å
984	H	86.4	Confident	81.1	Confident	42 Å²	42	34 Å²	34	19%	0.194	18%	0.179	C	C	.	.	S	Bend	trans	-75.2	137.1	-176.6	-69.4	179.4	0	0	0	112.4	K947 A948 L980 S981 G982 L986 F989 D1005	K947-H984 CarbonylContact C-O 3.53Å; K947-H984 VanDerWaalsContact CA-O 3.31Å; K947-H984 WeakPolarHBondContact CA-O 3.23Å; A948-H984 PolarHBondContact N-O 2.89Å; L980-H984 HydrophobicContact CB-CB 4.28Å; L980-H984 HydrophobicContact CD2-CB 3.93Å; S981-H984 WeakPolarHBondContact CB-NE2 3.35Å; S981-H984 PolarHBondContact N-ND1 2.71Å; S981-H984 WeakPolarHBondContact O-CB 3.4Å; S981-H984 PolarHBondContact O-N 2.83Å; G982-H984 VanDerWaalsContact C-N 3.33Å; G982-H984 PolarHBondContact O-N 3Å; H984-L986 PolarHBondContact O-N 3.12Å; H984-F989 HydrophobicContact CB-CD2 4.44Å; H984-F989 HydrophobicContact CB-CE2 3.79Å; H984-F989 AromaticContact CG-CE2 3.83Å; H984-F989 AromaticContact ND1-CE2 3.48Å; H984-F989 WeakPolarHBondContact ND1-CE2 3.48Å; H984-F989 AromaticContact ND1-CZ 3.43Å; H984-F989 WeakPolarHBondContact ND1-CZ 3.11Å; H984-D1005 PolarHBondContact CE1-O 2.88Å; H984-D1005 VanDerWaalsContact CE1-O 3.26Å
985	Y	88.6	Confident	81.2	Confident	15 Å²	15	29.2 Å²	29.2	6%	0.059	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-67.6	122.9	170.7	-59.6	-57.1	0	0	0	111	T905 R908 W945 K947 L987 D988	T905-Y985 PolarHBondContact O-OH 2.75Å; R908-Y985 HydrophobicContact CG-CD2 3.75Å; R908-Y985 HydrophobicContact CG-CE2 4.14Å; R908-Y985 HydrophobicContact CG-CG 4.25Å; W945-Y985 AromaticContact CE3-CE1 3.89Å; W945-Y985 HydrophobicContact CE3-CE1 3.89Å; W945-Y985 HydrophobicContact CE3-CE2 4.23Å; W945-Y985 AromaticContact CE3-CZ 3.68Å; W945-Y985 HydrophobicContact CZ3-CE2 4.2Å; W945-Y985 AromaticContact CZ3-CZ 3.98Å; W945-Y985 WeakPolarHBondContact O-CD1 3.4Å; W945-Y985 WeakPolarHBondContact O-CE1 3.24Å; K947-Y985 HydrophobicContact CG-CD1 4.09Å; K947-Y985 HydrophobicContact CG-CE1 4.15Å; Y985-L987 VanDerWaalsContact C-N 3.26Å; Y985-L987 PolarHBondContact O-N 3.3Å; Y985-D988 PolarHBondContact O-N 2.87Å
986	L	86.9	Confident	80.9	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.3	-34.4	-173.8	-176.1	61.7	0	0	0	112.6	L928 V942 T946 F951 V969 I971 L980 H984	L928-L986 HydrophobicContact CD1-CD2 3.64Å; L928-L986 HydrophobicContact CD1-CG 4.26Å; V942-L986 HydrophobicContact CG2-CD2 4.39Å; T946-L986 PolarHBondContact O-N 3.46Å; F951-L986 HydrophobicContact CB-CD2 3.97Å; F951-L986 HydrophobicContact CD1-CD2 3.67Å; F951-L986 HydrophobicContact CD2-CD2 3.89Å; F951-L986 HydrophobicContact CE1-CD2 4.07Å; F951-L986 HydrophobicContact CE2-CD2 4.3Å; F951-L986 HydrophobicContact CG-CD2 3.55Å; F951-L986 HydrophobicContact CZ-CD2 4.38Å; V969-L986 HydrophobicContact CG1-CD1 3.97Å; I971-L986 HydrophobicContact CD1-CD1 4.08Å; L980-L986 HydrophobicContact CD2-CD1 4.38Å; H984-L986 PolarHBondContact O-N 3.12Å
987	L	88.1	Confident	80.6	Confident	1 Å²	1	32 Å²	32	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-77.7	-18.1	-178.3	-55.8	-167.2	0	0	0	113.8	R908 T913 E916 M926 L928 V942 Y985 F989 I990 S991	R908-L987 PolarHBondContact NH2-O 2.9Å; T913-L987 HydrophobicContact CG2-CB 4.07Å; T913-L987 WeakPolarHBondContact CG2-O 3.33Å; E916-L987 VanDerWaalsContact CD-CD1 3.4Å; E916-L987 HydrophobicContact CG-CD1 3.7Å; M926-L987 HydrophobicContact CE-CD1 3.84Å; M926-L987 HydrophobicContact SD-CD1 4.29Å; L928-L987 HydrophobicContact CD1-CD2 4.07Å; V942-L987 HydrophobicContact CG1-CD2 4.32Å; V942-L987 HydrophobicContact CG2-CD2 3.99Å; V942-L987 HydrophobicContact CG2-CG 4.31Å; Y985-L987 VanDerWaalsContact C-N 3.26Å; Y985-L987 PolarHBondContact O-N 3.3Å; L987-F989 VanDerWaalsContact C-N 3.32Å; L987-I990 HydrophobicContact CD2-CD1 3.91Å; L987-I990 PolarHBondContact O-N 3.14Å; L987-S991 WeakPolarHBondContact O-CB 3.49Å; L987-S991 PolarHBondContact O-N 3.35Å
988	D	87.5	Confident	79.5	Confident	7 Å²	7	36.1 Å²	36.1	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-67.6	-35.5	173.7	-86.3	-23.3	0	0	0	111.9	R908 S909 H910 Y985 S991 Y992	R908-D988 WeakPolarHBondContact CA-OD2 3.34Å; R908-D988 WeakPolarHBondContact CB-OD1 3.48Å; R908-D988 IonicContact CZ-OD1 2.64Å; R908-D988 VanDerWaalsContact CZ-OD1 3.24Å; R908-D988 IonicContact NE-OD1 3.1Å; R908-D988 PolarHBondContact NE-OD1 3.08Å; R908-D988 IonicContact NE-OD2 3.13Å; R908-D988 IonicContact NH2-OD1 3.42Å; R908-D988 PolarHBondContact NH2-OD1 3.01Å; S909-D988 PolarHBondContact N-OD2 2.72Å; H910-D988 WeakPolarHBondContact CA-OD1 3.48Å; H910-D988 HydrophobicContact CB-CB 4.43Å; H910-D988 WeakPolarHBondContact CB-OD1 3.31Å; H910-D988 PolarHBondContact N-OD1 3.46Å; H910-D988 PolarHBondContact ND1-O 2.96Å; Y985-D988 PolarHBondContact O-N 2.87Å; D988-S991 PolarHBondContact O-N 2.98Å; D988-Y992 WeakPolarHBondContact O-CB 3.45Å; D988-Y992 PolarHBondContact O-N 3.39Å
989	F	83.3	Confident	78.3	Confident	13 Å²	13	36 Å²	36	6%	0.057	19%	0.19	C	C	.	.	H	α-helix	trans	-76.5	-32.5	178.1	-75.4	-94.1	0	0	0	112.6	I971 L980 H984 L987 L993 A1004 C1006	I971-F989 HydrophobicContact CD1-CB 3.78Å; L980-F989 HydrophobicContact CD2-CB 4.25Å; L980-F989 HydrophobicContact CD2-CD1 4.48Å; L980-F989 HydrophobicContact CD2-CD2 3.44Å; L980-F989 VanDerWaalsContact CD2-CD2 3.44Å; L980-F989 HydrophobicContact CD2-CE2 3.9Å; L980-F989 HydrophobicContact CD2-CG 3.78Å; L980-F989 HydrophobicContact CG-CD2 4.26Å; L980-F989 HydrophobicContact CG-CE2 4.47Å; L980-F989 HydrophobicContact CG-CG 4.32Å; H984-F989 HydrophobicContact CB-CD2 4.44Å; H984-F989 HydrophobicContact CB-CE2 3.79Å; H984-F989 AromaticContact CG-CE2 3.83Å; H984-F989 AromaticContact ND1-CE2 3.48Å; H984-F989 WeakPolarHBondContact ND1-CE2 3.48Å; H984-F989 AromaticContact ND1-CZ 3.43Å; H984-F989 WeakPolarHBondContact ND1-CZ 3.11Å; L987-F989 VanDerWaalsContact C-N 3.32Å; F989-L993 WeakPolarHBondContact O-CG 3.41Å; F989-L993 PolarHBondContact O-N 3.07Å; F989-A1004 HydrophobicContact CE1-CB 3.78Å; F989-A1004 HydrophobicContact CE2-CB 4.12Å; F989-A1004 HydrophobicContact CZ-CB 3.42Å; F989-A1004 VanDerWaalsContact CZ-CB 3.42Å; F989-C1006 HydrophobicContact CE1-CB 3.58Å; F989-C1006 HydrophobicContact CZ-CB 3.93Å
990	I	83.7	Confident	77.3	Confident	16 Å²	16	36.8 Å²	36.8	8%	0.082	19%	0.194	C	C	.	.	H	α-helix	trans	-66.3	-46.2	168.9	-63.9	172.4	0	0	0	109.4	T913 L928 I971 L987 Y992 L993 E994 M1192	T913-I990 HydrophobicContact CG2-CB 4.01Å; T913-I990 HydrophobicContact CG2-CG2 3.8Å; L928-I990 HydrophobicContact CD1-CD1 3.86Å; L928-I990 HydrophobicContact CD2-CD1 4.15Å; I971-I990 HydrophobicContact CD1-CG1 4.44Å; L987-I990 HydrophobicContact CD2-CD1 3.91Å; L987-I990 PolarHBondContact O-N 3.14Å; I990-Y992 PolarHBondContact O-N 3.21Å; I990-L993 CarbonylContact O-C 3.59Å; I990-L993 PolarHBondContact O-N 3.28Å; I990-E994 HydrophobicContact CG2-CG 4.21Å; I990-E994 WeakPolarHBondContact O-CG 3.28Å; I990-E994 PolarHBondContact O-N 3.29Å; I990-M1192 HydrophobicContact CG1-CE 3.91Å
991	S	83.8	Confident	75.9	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.007	20%	0.203	C	C	.	.	H	α-helix	trans	-64.7	-36.2	-179.4	-165.4	0	0	0	0	113.4	P911 L987 D988 L993 E994 Q995	P911-S991 WeakPolarHBondContact O-CB 3.43Å; P911-S991 PolarHBondContact O-OG 3.42Å; L987-S991 WeakPolarHBondContact O-CB 3.49Å; L987-S991 PolarHBondContact O-N 3.35Å; D988-S991 PolarHBondContact O-N 2.98Å; S991-L993 VanDerWaalsContact C-N 3.27Å; S991-L993 PolarHBondContact O-N 2.71Å; S991-E994 PolarHBondContact O-N 2.81Å; S991-Q995 WeakPolarHBondContact O-CB 3.49Å; S991-Q995 VanDerWaalsContact O-CG 3.25Å; S991-Q995 WeakPolarHBondContact O-CG 3.17Å; S991-Q995 PolarHBondContact O-N 2.75Å; S991-Q995 PolarHBondContact O-NE2 3.28Å; S991-Q995 PolarHBondContact OG-NE2 2.75Å
992	Y	81.5	Confident	74.3	Confident	36 Å²	36	45.9 Å²	45.9	14%	0.141	23%	0.232	C	C	.	.	H	α-helix	trans	-59.4	-36.5	171.1	173.7	-98.4	0	0	0	112.5	H910 D988 I990 Q1000 H1003	H910-Y992 AromaticContact NE2-CD2 3.68Å; D988-Y992 WeakPolarHBondContact O-CB 3.45Å; D988-Y992 PolarHBondContact O-N 3.39Å; I990-Y992 PolarHBondContact O-N 3.21Å; Y992-Q1000 HydrophobicContact CD2-CB 4.36Å; Y992-Q1000 HydrophobicContact CD2-CG 4.17Å; Y992-Q1000 HydrophobicContact CE2-CB 4.18Å; Y992-Q1000 HydrophobicContact CE2-CG 4.22Å; Y992-Q1000 PolarHBondContact O-NE2 3.22Å; Y992-H1003 PolarHBondContact OH-ND1 3.4Å
993	L	77.4	Confident	72.9	Confident	60 Å²	60	52.6 Å²	52.6	31%	0.314	26%	0.261	S	S	.	.	H	α-helix	trans	-84.6	-22.1	178.5	-66.3	168.8	0	0	0	113.5	I971 F978 F989 I990 S991 M1192	I971-L993 HydrophobicContact CG2-CD1 4Å; F978-L993 HydrophobicContact CE2-CD1 4.29Å; F978-L993 HydrophobicContact CE2-CD2 4.02Å; F978-L993 HydrophobicContact CZ-CD2 4.24Å; F989-L993 WeakPolarHBondContact O-CG 3.41Å; F989-L993 PolarHBondContact O-N 3.07Å; I990-L993 CarbonylContact O-C 3.59Å; I990-L993 PolarHBondContact O-N 3.28Å; S991-L993 VanDerWaalsContact C-N 3.27Å; S991-L993 PolarHBondContact O-N 2.71Å; L993-M1192 HydrophobicContact CD1-CE 3.58Å
994	E	77.5	Confident	71.3	Confident	71 Å²	71	50.3 Å²	50.3	33%	0.332	25%	0.252	S	S	.	.	H	α-helix	trans	-81.6	-19.9	172.3	-72.1	179.1	156.8	0	0	113.2	T913 V914 I990 S991	T913-E994 WeakPolarHBondContact CA-OE2 3.45Å; T913-E994 WeakPolarHBondContact CB-OE2 3.31Å; V914-E994 HydrophobicContact CG2-CB 4.47Å; V914-E994 HydrophobicContact CG2-CG 4.33Å; V914-E994 PolarHBondContact N-OE2 3.16Å; I990-E994 HydrophobicContact CG2-CG 4.21Å; I990-E994 WeakPolarHBondContact O-CG 3.28Å; I990-E994 PolarHBondContact O-N 3.29Å; S991-E994 PolarHBondContact O-N 2.81Å
995	Q	68.4	Low	70	Confident	15 Å²	15	55.8 Å²	55.8	7%	0.07	28%	0.283	C	S	.	.	S	Bend	trans	-88.1	138	-172.5	-84.2	171.6	61.4	0	0	114.2	S991 L999 Q1000	S991-Q995 WeakPolarHBondContact O-CB 3.49Å; S991-Q995 VanDerWaalsContact O-CG 3.25Å; S991-Q995 WeakPolarHBondContact O-CG 3.17Å; S991-Q995 PolarHBondContact O-N 2.75Å; S991-Q995 PolarHBondContact O-NE2 3.28Å; S991-Q995 PolarHBondContact OG-NE2 2.75Å; Q995-L999 HydrophobicContact CB-CB 4.39Å; Q995-L999 HydrophobicContact CG-CB 4.46Å; Q995-L999 PolarHBondContact OE1-O 2.84Å; Q995-Q1000 HydrophobicContact CB-CG 4.34Å; Q995-Q1000 PolarHBondContact O-NE2 2.82Å
996	P	63.8	Low	68.8	Low	53 Å²	53	56.8 Å²	56.8	34%	0.344	29%	0.292	S	S	.	.			trans	-52.8	148.3	164.7	-24.9	34.2	0	0	0	112.4	L719 E998 L999	L719-P996 HydrophobicContact CD2-CB 3.94Å; L719-P996 HydrophobicContact CD2-CG 4.16Å; P996-E998 VanDerWaalsContact CB-OE2 3.29Å; P996-E998 WeakPolarHBondContact CB-OE2 3.23Å; P996-E998 PolarHBondContact O-N 3.02Å; P996-L999 PolarHBondContact O-N 2.81Å
997	T	61	Low	67.9	Low	108 Å²	108	62 Å²	62	66%	0.663	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.2	-174	-39.2	0	0	0	0	113	L999	T997-L999 VanDerWaalsContact C-N 3.29Å; T997-L999 PolarHBondContact O-N 3.41Å
998	E	56.6	Low	66.8	Low	125 Å²	125	64.6 Å²	64.6	58%	0.584	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-17.4	178.4	-56.5	73.3	-160.7	0	0	113.8	L719 P996	L719-E998 HydrophobicContact CD2-CB 4.35Å; P996-E998 VanDerWaalsContact CB-OE2 3.29Å; P996-E998 WeakPolarHBondContact CB-OE2 3.23Å; P996-E998 PolarHBondContact O-N 3.02Å
999	L	55.5	Low	66	Low	22 Å²	22	66.3 Å²	66.3	12%	0.115	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-14.8	-179.8	-80.4	166.7	0	0	0	113.8	L719 L816 K823 Q995 P996 T997 S1001	L719-L999 HydrophobicContact CD1-CD1 3.93Å; L719-L999 HydrophobicContact CD1-CD2 4.36Å; L719-L999 HydrophobicContact CD1-CG 3.96Å; L816-L999 HydrophobicContact CD2-CD1 4.5Å; K823-L999 WeakPolarHBondContact CE-O 3.5Å; Q995-L999 HydrophobicContact CB-CB 4.39Å; Q995-L999 HydrophobicContact CG-CB 4.46Å; Q995-L999 PolarHBondContact OE1-O 2.84Å; P996-L999 PolarHBondContact O-N 2.81Å; T997-L999 VanDerWaalsContact C-N 3.29Å; T997-L999 PolarHBondContact O-N 3.41Å; L999-S1001 PolarHBondContact O-N 2.91Å
1000	Q	60.4	Low	64.9	Low	65 Å²	65	72.5 Å²	72.5	30%	0.304	38%	0.384	S	S	.	.			trans	-68.3	118.8	-175.8	-67	176.4	11.9	0	0	111.6	Y992 Q995	Y992-Q1000 HydrophobicContact CD2-CB 4.36Å; Y992-Q1000 HydrophobicContact CD2-CG 4.17Å; Y992-Q1000 HydrophobicContact CE2-CB 4.18Å; Y992-Q1000 HydrophobicContact CE2-CG 4.22Å; Y992-Q1000 PolarHBondContact O-NE2 3.22Å; Q995-Q1000 HydrophobicContact CB-CG 4.34Å; Q995-Q1000 PolarHBondContact O-NE2 2.82Å
1001	S	51.9	Low	63.7	Low	30 Å²	30	75.2 Å²	75.2	21%	0.21	40%	0.395	C	S	.	.			trans	-68.6	170.1	171.6	-42.5	0	0	0	0	111.4	K823 L999 H1003	K823-S1001 WeakPolarHBondContact CE-OG 3.27Å; K823-S1001 PolarHBondContact NZ-OG 3.03Å; L999-S1001 PolarHBondContact O-N 2.91Å; S1001-H1003 PolarHBondContact O-N 3.14Å
1002	K	51.6	Low	62	Low	203 Å²	203	82.4 Å²	82.4	88%	0.883	43%	0.428	S	S	*	.	S	Bend	trans	-41.9	133.6	169.3	-66.1	180	179.4	178	0	111.1	A1004	K1002-A1004 PolarHBondContact O-N 3.16Å
1003	H	51.8	Low	60.1	Low	150 Å²	150	88.9 Å²	88.9	69%	0.694	47%	0.465	S	S	*	.			trans	-42.1	128.6	-175.9	-64.2	-58.5	0	0	0	112.2	Y992 S1001	Y992-H1003 PolarHBondContact OH-ND1 3.4Å; S1001-H1003 PolarHBondContact O-N 3.14Å
1004	A	51.6	Low	58	Low	24 Å²	24	89 Å²	89	20%	0.198	48%	0.48	C	S	.	.			trans	-64.4	135.4	168.7	0	0	0	0	0	109.3	F989 K1002 C1006	F989-A1004 HydrophobicContact CE1-CB 3.78Å; F989-A1004 HydrophobicContact CE2-CB 4.12Å; F989-A1004 HydrophobicContact CZ-CB 3.42Å; F989-A1004 VanDerWaalsContact CZ-CB 3.42Å; K1002-A1004 PolarHBondContact O-N 3.16Å; A1004-C1006 PolarHBondContact O-N 3.21Å; A1004-C1006 PolarHBondContact O-SG 2.75Å
1005	D	59.7	Low	55.8	Low	156 Å²	156	92.4 Å²	92.4	83%	0.834	50%	0.498	S	S	*	.	S	Bend	trans	-67.9	69.2	-170.1	-65.7	-60.9	0	0	0	113.3	H984	H984-D1005 PolarHBondContact CE1-O 2.88Å; H984-D1005 VanDerWaalsContact CE1-O 3.26Å
1006	C	63.8	Low	54	Low	37 Å²	37	94.9 Å²	94.9	25%	0.25	52%	0.517	C	S	.	.			trans	-116.7	154.9	-178.1	66.9	0	0	0	0	111.7	F989 A1004 A1008	F989-C1006 HydrophobicContact CE1-CB 3.58Å; F989-C1006 HydrophobicContact CZ-CB 3.93Å; A1004-C1006 PolarHBondContact O-N 3.21Å; A1004-C1006 PolarHBondContact O-SG 2.75Å; C1006-A1008 PolarHBondContact O-N 3.03Å
1007	I	66.1	Low	52.4	Low	108 Å²	108	96 Å²	96	55%	0.554	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	103.6	171.1	-58.7	174.5	0	0	0	106.9	H979	H979-I1007 HydrophobicContact CB-CB 4.36Å; H979-I1007 PolarHBondContact CD2-O 3.23Å; H979-I1007 VanDerWaalsContact CD2-O 3.22Å; H979-I1007 PolarHBondContact N-O 3.44Å
1008	A	66.9	Low	50.8	Low	57 Å²	57	96.4 Å²	96.4	47%	0.471	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	103.6	172.3	0	0	0	0	0	109.7	I977 F978 C1006	I977-A1008 WeakPolarHBondContact O-CA 3.44Å; F978-A1008 HydrophobicContact CD1-CB 3.85Å; F978-A1008 HydrophobicContact CE1-CB 3.99Å; C1006-A1008 PolarHBondContact O-N 3.03Å
1009	S	69.7	Low	49.5	Very low	43 Å²	43	99.2 Å²	99.2	30%	0.301	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.3	172.5	57.5	0	0	0	0	110.1	I977 H979	I977-S1009 PolarHBondContact N-O 3.11Å; I977-S1009 PolarHBondContact O-N 3.16Å; I977-S1009 PolarHBondContact O-OG 2.91Å; H979-S1009 PolarHBondContact NE2-OG 2.78Å
1010	M	60.7	Low	48.4	Very low	143 Å²	143	101 Å²	101	70%	0.704	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	143.8	168.6	-68.2	-171.3	-176.8	0	0	110.5	S975 T976 H1012	S975-M1010 WeakPolarHBondContact O-CA 3.39Å; T976-M1010 HydrophobicContact CG2-CG 4.38Å; M1010-H1012 PolarHBondContact O-N 3.21Å
1011	K	58.6	Low	47.2	Very low	73 Å²	73	103.1 Å²	103.1	32%	0.317	56%	0.56	S	S	.	*			trans	-71.9	107.2	168.1	-80.3	169.2	159.1	-179.4	0	108.7	E972 N973 E974 S975 I977	E972-K1011 VanDerWaalsContact CG-NZ 3.34Å; E972-K1011 VanDerWaalsContact OE1-CE 3.26Å; E972-K1011 WeakPolarHBondContact OE1-CE 3.4Å; E972-K1011 IonicContact OE1-NZ 3.73Å; E972-K1011 PolarHBondContact OE1-NZ 3.49Å; N973-K1011 WeakPolarHBondContact O-CE 3.31Å; N973-K1011 PolarHBondContact O-NZ 3.13Å; E974-K1011 WeakPolarHBondContact O-CD 3.24Å; S975-K1011 PolarHBondContact O-N 3.34Å; I977-K1011 HydrophobicContact CD1-CG 4.23Å; I977-K1011 HydrophobicContact CG1-CG 4.2Å
1012	H	48.4	Very low	46.9	Very low	152 Å²	152	105.8 Å²	105.8	70%	0.704	58%	0.575	S	S	*	*			trans	-86.4	120.3	172.5	-84.4	-76.9	0	0	0	110.4	M1010 G1014	M1010-H1012 PolarHBondContact O-N 3.21Å; H1012-G1014 PolarHBondContact O-N 2.94Å
1013	D	40.7	Very low	46.3	Very low	171 Å²	171	97.5 Å²	97.5	91%	0.914	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	47.3	174.4	-63.9	-51	0	0	0	113.4
1014	G	34.4	Very low	45.8	Very low	62 Å²	62	93.5 Å²	93.5	64%	0.639	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-172.1	18.6	-172.9	0	0	0	0	0	117.4	H1012	H1012-G1014 PolarHBondContact O-N 2.94Å
1015	M	31.3	Very low	45.6	Very low	143 Å²	143	96.4 Å²	96.4	70%	0.704	55%	0.546	S	S	*	.			trans	-125.7	55.2	-178.4	-112.7	-71.7	-179.3	0	0	112.1	D1017	M1015-D1017 PolarHBondContact O-N 3.48Å
1016	S	29	Very low	44.6	Very low	67 Å²	67	91.9 Å²	91.9	47%	0.469	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	25.3	-166.2	60.1	0	0	0	0	116.7
1017	D	29.9	Very low	43.3	Very low	76 Å²	76	94.9 Å²	94.9	41%	0.406	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.3	-0.4	-171.9	-79.2	-87.4	0	0	0	117	M1015 L1181 P1182 Q1183	M1015-D1017 PolarHBondContact O-N 3.48Å; D1017-L1181 HydrophobicContact CB-CD2 3.37Å; D1017-P1182 WeakPolarHBondContact OD2-CA 3.24Å; D1017-P1182 WeakPolarHBondContact OD2-CB 3.48Å; D1017-Q1183 PolarHBondContact OD2-N 2.89Å
1018	L	27.2	Very low	42.2	Very low	117 Å²	117	94.1 Å²	94.1	61%	0.613	53%	0.527	S	S	*	.	S	Bend	trans	-129	140.4	163.5	-78.2	96.2	0	0	0	109.4	L1181	L1018-L1181 HydrophobicContact CD1-CD2 4.11Å
1019	Y	31.1	Very low	41	Very low	185 Å²	185	93.6 Å²	93.6	73%	0.725	52%	0.523	S	S	*	.	S	Bend	trans	65.9	100.2	-159.5	-63.7	-88	0	0	0	113.3	I1021	Y1019-I1021 PolarHBondContact O-N 3.27Å
1020	G	31.8	Very low	39.4	Very low	59 Å²	59	96.7 Å²	96.7	61%	0.608	54%	0.536	S	S	*	.			trans	-76.5	121.3	-171.7	0	0	0	0	0	114.4	R1026	G1020-R1026 PolarHBondContact O-NH2 3.37Å
1021	I	36	Very low	38.3	Very low	109 Å²	109	95.4 Å²	95.4	56%	0.559	53%	0.528	S	S	*	.			trans	69.1	106.3	160.7	-31.9	166.9	0	0	0	115.2	Y1019 D1025 R1026	Y1019-I1021 PolarHBondContact O-N 3.27Å; I1021-D1025 HydrophobicContact CG2-CB 3.98Å; I1021-R1026 HydrophobicContact CB-CG 4.19Å; I1021-R1026 HydrophobicContact CG2-CG 3.57Å; I1021-R1026 PolarHBondContact O-NH2 3.37Å
1022	T	43.7	Very low	37.3	Very low	87 Å²	87	99.6 Å²	99.6	53%	0.534	55%	0.549	S	S	.	.			trans	-51.5	144.8	162.4	11.8	0	0	0	0	111.9	S1024 D1025 R1026	T1022-S1024 VanDerWaalsContact C-N 3.26Å; T1022-S1024 PolarHBondContact O-N 2.87Å; T1022-D1025 WeakPolarHBondContact CB-OD2 3.46Å; T1022-D1025 PolarHBondContact O-N 3.23Å; T1022-D1025 PolarHBondContact OG1-OD2 3.43Å; T1022-R1026 PolarHBondContact O-N 3.36Å
1023	A	39.8	Very low	36.5	Very low	28 Å²	28	102.6 Å²	102.6	23%	0.231	55%	0.554	C	S	.	*	H	α-helix	trans	-71.2	-19.3	-170.1	0	0	0	0	0	114.1	L1027 K1193	A1023-L1027 PolarHBondContact O-N 3.5Å; A1023-L1027 VanDerWaalsContact O-N 3.12Å; A1023-K1193 HydrophobicContact CB-CD 4.49Å; A1023-K1193 VanDerWaalsContact CB-CE 3.46Å
1024	S	41.6	Very low	35.9	Very low	67 Å²	67	105 Å²	105	47%	0.469	55%	0.55	S	S	.	.	H	α-helix	trans	-66.9	-47.8	175	-150.2	0	0	0	0	110.8	T1022 R1026 L1027 D1028	T1022-S1024 VanDerWaalsContact C-N 3.26Å; T1022-S1024 PolarHBondContact O-N 2.87Å; S1024-R1026 PolarHBondContact O-N 2.88Å; S1024-L1027 WeakPolarHBondContact O-CA 3.44Å; S1024-L1027 WeakPolarHBondContact O-CB 3.48Å; S1024-L1027 PolarHBondContact O-N 3.12Å; S1024-D1028 PolarHBondContact O-N 2.7Å
1025	D	46.5	Very low	35.6	Very low	85 Å²	85	112.7 Å²	112.7	46%	0.455	56%	0.559	S	S	.	*	H	α-helix	trans	-63.6	-31.4	179.8	-44.6	-75.3	0	0	0	112.1	I1021 T1022 A1029	I1021-D1025 HydrophobicContact CG2-CB 3.98Å; T1022-D1025 WeakPolarHBondContact CB-OD2 3.46Å; T1022-D1025 PolarHBondContact O-N 3.23Å; T1022-D1025 PolarHBondContact OG1-OD2 3.43Å; D1025-A1029 WeakPolarHBondContact O-CB 3.16Å; D1025-A1029 PolarHBondContact O-N 3.47Å
1026	R	39.6	Very low	35.4	Very low	61 Å²	61	111.9 Å²	111.9	23%	0.23	57%	0.565	C	S	.	*	H	α-helix	trans	-71.3	-32.9	170.5	-66.6	-165.7	-168.5	151.1	11.7	113.1	S933 D934 G1020 I1021 T1022 S1024 L1030	S933-R1026 PolarHBondContact O-NH1 3.46Å; D934-R1026 WeakPolarHBondContact O-CD 3.38Å; D934-R1026 PolarHBondContact O-NH1 2.87Å; G1020-R1026 PolarHBondContact O-NH2 3.37Å; I1021-R1026 HydrophobicContact CB-CG 4.19Å; I1021-R1026 HydrophobicContact CG2-CG 3.57Å; I1021-R1026 PolarHBondContact O-NH2 3.37Å; T1022-R1026 PolarHBondContact O-N 3.36Å; S1024-R1026 PolarHBondContact O-N 2.88Å; R1026-L1030 VanDerWaalsContact O-CB 3.24Å; R1026-L1030 WeakPolarHBondContact O-CB 3.34Å; R1026-L1030 WeakPolarHBondContact O-CD1 3.14Å; R1026-L1030 WeakPolarHBondContact O-CG 3.45Å; R1026-L1030 PolarHBondContact O-N 2.82Å
1027	L	37	Very low	35.3	Very low	99 Å²	99	114.5 Å²	114.5	52%	0.518	58%	0.584	S	S	.	*	H	α-helix	trans	-67.2	-45.4	177.9	-171.7	61.9	0	0	0	110.2	A1023 S1024 L1030 Q1031	A1023-L1027 PolarHBondContact O-N 3.5Å; A1023-L1027 VanDerWaalsContact O-N 3.12Å; S1024-L1027 WeakPolarHBondContact O-CA 3.44Å; S1024-L1027 WeakPolarHBondContact O-CB 3.48Å; S1024-L1027 PolarHBondContact O-N 3.12Å; L1027-L1030 PolarHBondContact O-N 3.22Å; L1027-Q1031 WeakPolarHBondContact O-CG 3.49Å; L1027-Q1031 PolarHBondContact O-N 2.86Å
1028	D	42.2	Very low	35.1	Very low	92 Å²	92	116.6 Å²	116.6	49%	0.492	60%	0.604	S	S	.	*	H	α-helix	trans	-69.8	-43.7	177.1	-70	-31.8	0	0	0	112.1	S1024 L1030 Q1031 E1032	S1024-D1028 PolarHBondContact O-N 2.7Å; D1028-L1030 PolarHBondContact O-N 3.34Å; D1028-L1030 VanDerWaalsContact O-N 3.11Å; D1028-Q1031 PolarHBondContact O-N 2.95Å; D1028-E1032 PolarHBondContact O-N 3.49Å
1029	A	41.8	Very low	35.3	Very low	47 Å²	47	116 Å²	116	39%	0.388	61%	0.61	S	S	.	*	H	α-helix	trans	-62.7	-18.7	173.5	0	0	0	0	0	114.1	D1025 R1033	D1025-A1029 WeakPolarHBondContact O-CB 3.16Å; D1025-A1029 PolarHBondContact O-N 3.47Å; A1029-R1033 WeakPolarHBondContact O-CD 3.5Å; A1029-R1033 WeakPolarHBondContact O-CG 3.31Å
1030	L	36	Very low	35.2	Very low	108 Å²	108	116.3 Å²	116.3	57%	0.565	62%	0.618	S	S	*	*	H	α-helix	trans	-90.9	-28.1	170.8	-74.4	170.4	0	0	0	113.2	R1026 L1027 D1028	R1026-L1030 VanDerWaalsContact O-CB 3.24Å; R1026-L1030 WeakPolarHBondContact O-CB 3.34Å; R1026-L1030 WeakPolarHBondContact O-CD1 3.14Å; R1026-L1030 WeakPolarHBondContact O-CG 3.45Å; R1026-L1030 PolarHBondContact O-N 2.82Å; L1027-L1030 PolarHBondContact O-N 3.22Å; D1028-L1030 PolarHBondContact O-N 3.34Å; D1028-L1030 VanDerWaalsContact O-N 3.11Å
1031	Q	37	Very low	35	Very low	116 Å²	116	118.7 Å²	118.7	54%	0.542	63%	0.625	S	S	.	*	H	α-helix	trans	-74.4	-39	173.2	-74.3	-169.6	69.8	0	0	112.1	L1027 D1028 R1033 R1034	L1027-Q1031 WeakPolarHBondContact O-CG 3.49Å; L1027-Q1031 PolarHBondContact O-N 2.86Å; D1028-Q1031 PolarHBondContact O-N 2.95Å; Q1031-R1033 PolarHBondContact O-N 3.3Å; Q1031-R1034 PolarHBondContact O-N 3.29Å
1032	E	38	Very low	34.6	Very low	161 Å²	161	117.4 Å²	117.4	75%	0.752	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-61.2	-33.4	172.7	-70	-157.5	127	0	0	112.3	D1028 R1034	D1028-E1032 PolarHBondContact O-N 3.49Å; E1032-R1034 PolarHBondContact O-N 2.9Å; E1032-R1034 VanDerWaalsContact O-N 3.16Å
1033	R	32.3	Very low	34.1	Very low	215 Å²	215	121.9 Å²	121.9	81%	0.811	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-74.2	5.3	173.7	-69.5	-179.2	-176.7	-160.1	2.1	114.4	A1029 Q1031	A1029-R1033 WeakPolarHBondContact O-CD 3.5Å; A1029-R1033 WeakPolarHBondContact O-CG 3.31Å; Q1031-R1033 PolarHBondContact O-N 3.3Å
1034	R	28.6	Very low	33.6	Very low	221 Å²	221	127.5 Å²	127.5	83%	0.834	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-120.5	35.6	176.5	-74.3	-170.4	172.1	-171.9	0.7	114.2	Q1031 E1032	Q1031-R1034 PolarHBondContact O-N 3.29Å; E1032-R1034 PolarHBondContact O-N 2.9Å; E1032-R1034 VanDerWaalsContact O-N 3.16Å
1035	R	26.5	Very low	33.4	Very low	223 Å²	223	129 Å²	129	84%	0.842	67%	0.672	S	S	*	*	S	Bend	trans	-122.4	125	159.6	-70.7	-176	176.7	170.6	1.7	111.1	S1037	R1035-S1037 PolarHBondContact O-N 2.87Å
1036	P	27.8	Very low	32.5	Very low	126 Å²	126	131.9 Å²	131.9	82%	0.818	69%	0.693	S	S	*	*			trans	-75.3	123	174	29.9	-32.2	0	0	0	110.4	S1038	P1036-S1038 PolarHBondContact O-N 3.49Å
1037	S	26	Very low	32	Very low	123 Å²	123	132.2 Å²	132.2	86%	0.86	72%	0.715	S	S	*	*			trans	-78.2	114.3	174.2	55.3	0	0	0	0	111.4	R1035	R1035-S1037 PolarHBondContact O-N 2.87Å
1038	S	27.3	Very low	31.5	Very low	120 Å²	120	138.9 Å²	138.9	84%	0.839	73%	0.734	S	S	*	*			trans	-125	100.8	167	55.1	0	0	0	0	110.6	P1036	P1036-S1038 PolarHBondContact O-N 3.49Å
1039	S	31.1	Very low	30.7	Very low	105 Å²	105	144.2 Å²	144.2	73%	0.734	75%	0.747	S	S	*	*			trans	-103.6	111.3	-172.7	54.8	0	0	0	0	112.8
1040	Q	28.3	Very low	29.9	Very low	190 Å²	190	147.8 Å²	147.8	89%	0.888	76%	0.759	S	S	*	*			trans	52.7	141.5	137.4	-58.8	-177.7	10.4	0	0	119.6
1041	S	28.3	Very low	29.5	Very low	109 Å²	109	150.3 Å²	150.3	76%	0.762	77%	0.767	S	S	*	*			cis	-168.3	-167.2	-5.5	60.1	0	0	0	0	107.1
1042	S	27.8	Very low	28.8	Very low	83 Å²	83	150.9 Å²	150.9	58%	0.58	77%	0.772	S	S	*	*			cis	-162.1	176.8	7.3	54.1	0	0	0	0	109.6
1043	K	32.4	Very low	28.3	Very low	181 Å²	181	150.1 Å²	150.1	79%	0.787	77%	0.768	S	S	*	*			trans	72.7	143	166.5	-58.7	168.4	-174.3	176.3	0	115.7
1044	N	29.5	Very low	28	Very low	146 Å²	146	145.2 Å²	145.2	78%	0.781	76%	0.757	S	S	*	*			cis	-152.9	177.2	-6.6	-117.8	9.3	0	0	0	110.8
1045	P	36.8	Very low	27.9	Very low	98 Å²	98	144.1 Å²	144.1	64%	0.636	76%	0.755	S	S	*	*				-130.5	-174.4	-129.1	40.8	-23.1	0	0	0	118.2
1046	T	27.9	Very low	27.9	Very low	145 Å²	145	138.8 Å²	138.8	89%	0.89	74%	0.743	S	S	*	*			trans	80.6	139.1	170	73.7	0	0	0	0	117.4
1047	G	28.1	Very low	27.9	Very low	68 Å²	68	142.4 Å²	142.4	70%	0.701	74%	0.74	S	S	*	*			cis	166.2	160	-13.2	0	0	0	0	0	114.8
1048	R	27.5	Very low	28	Very low	240 Å²	240	141.6 Å²	141.6	91%	0.906	73%	0.731	S	S	*	*			trans	68.2	156	175.6	-60.4	-178.6	175.1	-175.7	-0.1	116
1049	R	25.2	Very low	28	Very low	204 Å²	204	145.4 Å²	145.4	77%	0.77	73%	0.732	S	S	*	*			cis	-165.7	147	-23.5	-113.7	-172.8	170.8	-170	-1.5	109.7
1050	L	25.4	Very low	28	Very low	121 Å²	121	144.1 Å²	144.1	63%	0.634	73%	0.728	S	S	*	*			trans	60.6	133.7	145.1	-61.6	173.1	0	0	0	122.7
1051	H	26.6	Very low	28.1	Very low	162 Å²	162	141.4 Å²	141.4	75%	0.75	72%	0.719	S	S	*	*			trans	56.6	157	143.6	-68.2	-60.7	0	0	0	121.2
1052	M	23.3	Very low	28.1	Very low	128 Å²	128	142.6 Å²	142.6	63%	0.631	71%	0.713	S	S	*	*			cis	-178.1	150.1	-24.1	177	163.7	142.2	0	0	108.8
1053	H	27.1	Very low	28.3	Very low	145 Å²	145	147.1 Å²	147.1	67%	0.671	73%	0.725	S	S	*	*			trans	62.7	165.2	170.3	-78	-24.7	0	0	0	116.6
1054	N	26.4	Very low	28.1	Very low	111 Å²	111	142 Å²	142	59%	0.594	72%	0.723	S	S	*	*			cis	-160.8	171.8	-32.1	-112.9	14.1	0	0	0	109.8
1055	Y	26.1	Very low	28	Very low	198 Å²	198	146.7 Å²	146.7	78%	0.776	73%	0.73	S	S	*	*			trans	70.2	112.2	151.4	-82	-58.5	0	0	0	122.4
1056	D	27.3	Very low	27.4	Very low	111 Å²	111	147.6 Å²	147.6	59%	0.594	74%	0.737	S	S	*	*				72.5	128.6	121.4	-96.3	17.7	0	0	0	125
1057	R	27.3	Very low	27.5	Very low	202 Å²	202	148.7 Å²	148.7	76%	0.762	74%	0.736	S	S	*	*				93.8	114.1	128.7	-78.1	176.9	-165.5	-141.8	-1.2	123.6
1058	T	27.8	Very low	27.4	Very low	107 Å²	107	149.9 Å²	149.9	66%	0.656	74%	0.739	S	S	*	*				84	117.8	124.8	53.7	0	0	0	0	123.4
1059	K	28	Very low	27.3	Very low	200 Å²	200	144.4 Å²	144.4	87%	0.87	73%	0.732	S	S	*	*			trans	70.2	154.4	131.9	-64	177.9	178.3	-176.2	0	117
1060	A	30	Very low	27.6	Very low	78 Å²	78	140.1 Å²	140.1	65%	0.645	73%	0.731	S	S	*	*			cis	-146.2	162.8	4.9	0	0	0	0	0	111.8
1061	N	30.6	Very low	27.9	Very low	132 Å²	132	139.9 Å²	139.9	71%	0.706	74%	0.736	S	S	*	*			trans	49.3	147.9	133.8	-63.8	30.3	0	0	0	120.5
1062	E	29.4	Very low	27.9	Very low	134 Å²	134	141.2 Å²	141.2	63%	0.626	74%	0.741	S	S	*	*			cis	-166.3	156.8	7.3	-126.4	172.3	-106.8	0	0	112.2
1063	Q	30.4	Very low	28.2	Very low	179 Å²	179	140.4 Å²	140.4	84%	0.836	74%	0.743	S	S	*	*			trans	59.1	146.7	158.6	-53.6	-178.9	47.6	0	0	119.1
1064	G	29.2	Very low	28.1	Very low	72 Å²	72	143.1 Å²	143.1	74%	0.742	75%	0.747	S	S	*	*			cis	179.7	148.8	-8.8	0	0	0	0	0	113.8
1065	R	28.4	Very low	28.2	Very low	245 Å²	245	144.8 Å²	144.8	93%	0.925	75%	0.751	S	S	*	*			trans	40.8	113.8	163.6	-74.4	-176.8	171.7	171	-1.7	122.1
1066	C	23.8	Very low	28.3	Very low	118 Å²	118	139.5 Å²	139.5	80%	0.797	74%	0.743	S	S	*	*			trans	16.4	134	136	-46.1	0	0	0	0	121.8
1067	I	29.2	Very low	28.4	Very low	168 Å²	168	141 Å²	141	86%	0.862	75%	0.751	S	S	*	*				-171.7	143.6	118.5	-97.8	155.5	0	0	0	111.9
1068	A	26.6	Very low	28.3	Very low	92 Å²	92	140.1 Å²	140.1	76%	0.76	76%	0.756	S	S	*	*			trans	41.4	135.2	159	0	0	0	0	0	124.6
1069	T	26	Very low	28.2	Very low	126 Å²	126	140.1 Å²	140.1	77%	0.773	76%	0.761	S	S	*	*			trans	-59.9	172.7	151.4	51.9	0	0	0	0	113.3
1070	P	30.9	Very low	28.1	Very low	113 Å²	113	138.3 Å²	138.3	73%	0.734	76%	0.759	S	S	*	*			cis	-141.8	-174.7	21.4	41.2	-19.8	0	0	0	116.7
1071	P	30.5	Very low	28	Very low	116 Å²	116	140.8 Å²	140.8	75%	0.753	77%	0.77	S	S	*	*			trans	-103.3	160.5	178.7	38.5	-34.4	0	0	0	116.5
1072	F	27.2	Very low	27.7	Very low	191 Å²	191	146.9 Å²	146.9	84%	0.838	78%	0.783	S	S	*	*			trans	-149.1	160.9	163.3	-88.6	-82.1	0	0	0	106.4
1073	T	30.2	Very low	27.9	Very low	110 Å²	110	146 Å²	146	68%	0.675	79%	0.792	S	S	*	*			cis	-155.9	146.6	15.1	-9.9	0	0	0	0	110.2
1074	R	25	Very low	27.7	Very low	202 Å²	202	144.5 Å²	144.5	76%	0.762	80%	0.795	S	S	*	*			trans	33.7	149.9	133.1	-67	-179.6	133.8	-179.7	-13.5	123.3
1075	E	27.9	Very low	27.6	Very low	146 Å²	146	146.5 Å²	146.5	68%	0.682	80%	0.798	S	S	*	*			cis	-127.5	-126.5	-2.6	-148.4	97.2	-128.4	0	0	110.2
1076	S	28.3	Very low	27.7	Very low	88 Å²	88	144 Å²	144	62%	0.615	80%	0.797	S	S	*	*			cis	-153	-178.5	-3	68.4	0	0	0	0	111.8
1077	D	29.1	Very low	28.1	Very low	142 Å²	142	142.5 Å²	142.5	76%	0.759	79%	0.793	S	S	*	*			trans	56	84.1	152.2	-49.1	-37	0	0	0	122.5
1078	E	25.8	Very low	28.6	Very low	183 Å²	183	139.7 Å²	139.7	86%	0.855	79%	0.786	S	S	*	*				33.7	120.7	129.2	-52.6	-160.9	143.1	0	0	122.5
1079	S	25.6	Very low	29.5	Very low	108 Å²	108	143.2 Å²	143.2	76%	0.755	79%	0.79	S	S	*	*				160.8	159.7	91.5	57.4	0	0	0	0	115
1080	L	25.8	Very low	30.8	Very low	161 Å²	161	141.1 Å²	141.1	84%	0.843	77%	0.773	S	S	*	*			trans	24.1	99.1	167.3	-80.8	72.3	0	0	0	119.9
1081	C	28.1	Very low	32.3	Very low	130 Å²	130	140 Å²	140	88%	0.878	76%	0.761	S	S	*	*				-176.8	131.1	109.5	-94	0	0	0	0	112
1082	R	24.8	Very low	33.7	Very low	260 Å²	260	136.5 Å²	136.5	98%	0.981	74%	0.736	S	S	*	*			trans	-122.2	110.5	166.8	-84.5	-174.3	173.3	178.1	-1.5	110
1083	S	32.3	Very low	35.7	Very low	116 Å²	116	132.3 Å²	132.3	81%	0.811	72%	0.719	S	S	*	*			trans	-111.4	130	164.3	51.9	0	0	0	0	109.7
1084	T	27	Very low	37.6	Very low	147 Å²	147	132.2 Å²	132.2	90%	0.902	71%	0.711	S	S	*	*			trans	-82.3	121.2	-174.4	49.3	0	0	0	0	111.9
1085	S	28.1	Very low	39.4	Very low	114 Å²	114	123 Å²	123	80%	0.797	68%	0.677	S	S	*	*			trans	-146.6	30	171.9	61.8	0	0	0	0	115.7
1086	E	29.6	Very low	41.3	Very low	193 Å²	193	117.5 Å²	117.5	90%	0.902	65%	0.653	S	S	*	*			trans	-94.9	106.2	160.3	-69.7	-168.9	150.5	0	0	109.5
1087	A	32.3	Very low	43.4	Very low	87 Å²	87	117.1 Å²	117.1	72%	0.719	64%	0.643	S	S	*	*			trans	-77.9	126.3	168.7	0	0	0	0	0	108.7	I1089	A1087-I1089 PolarHBondContact O-N 3.07Å
1088	P	39.8	Very low	45.2	Very low	109 Å²	109	115 Å²	115	71%	0.708	63%	0.628	S	S	*	*			trans	-62.9	131.5	-178.6	25.3	-33.7	0	0	0	110.4	I1090	P1088-I1090 VanDerWaalsContact C-N 3.27Å; P1088-I1090 PolarHBondContact O-N 3.28Å
1089	I	44.5	Very low	47	Very low	166 Å²	166	106.5 Å²	106.5	85%	0.851	59%	0.588	S	S	*	*			trans	-75.7	84.4	175	-56	177	0	0	0	107.7	A1087 N1091	A1087-I1089 PolarHBondContact O-N 3.07Å; I1089-N1091 PolarHBondContact O-N 2.98Å
1090	I	53.9	Low	48.9	Very low	81 Å²	81	104.5 Å²	104.5	42%	0.415	57%	0.569	S	S	.	*			trans	-57.2	121.8	176.3	-57.6	174.1	0	0	0	108.5	I627 P1088 E1094 V1095	I627-I1090 HydrophobicContact CD1-CD1 4.03Å; P1088-I1090 VanDerWaalsContact C-N 3.27Å; P1088-I1090 PolarHBondContact O-N 3.28Å; I1090-E1094 WeakPolarHBondContact CA-OE2 3.44Å; I1090-E1094 HydrophobicContact CG2-CB 4.16Å; I1090-V1095 HydrophobicContact CG2-CG2 3.88Å
1091	N	61.7	Low	50.7	Low	90 Å²	90	99.7 Å²	99.7	48%	0.481	55%	0.548	S	S	.	.			trans	-71.7	145.2	-173.8	-172.3	-10.1	0	0	0	110.6	I1089 Q1093 E1094 V1095	I1089-N1091 PolarHBondContact O-N 2.98Å; N1091-Q1093 HydrophobicContact CB-CB 4.47Å; N1091-Q1093 PolarHBondContact O-N 2.97Å; N1091-Q1093 VanDerWaalsContact O-N 3.13Å; N1091-Q1093 PolarHBondContact OD1-N 3.15Å; N1091-Q1093 VanDerWaalsContact OD1-N 3.11Å; N1091-E1094 HydrophobicContact CB-CB 4.37Å; N1091-E1094 HydrophobicContact CB-CG 3.99Å; N1091-E1094 WeakPolarHBondContact CB-OE2 3.38Å; N1091-E1094 PolarHBondContact N-OE2 3.08Å; N1091-E1094 PolarHBondContact O-N 2.91Å; N1091-V1095 PolarHBondContact O-N 2.91Å
1092	D	61.7	Low	51.9	Low	43 Å²	43	96.2 Å²	96.2	23%	0.23	52%	0.521	C	S	.	.	H	α-helix	trans	-54.5	-30.8	170	-93.3	-4.4	0	0	0	110.4	F631 R634 K638 D1096	F631-D1092 HydrophobicContact CD2-CB 4.4Å; F631-D1092 WeakPolarHBondContact CD2-OD1 3.46Å; F631-D1092 HydrophobicContact CE2-CB 4.13Å; R634-D1092 IonicContact CZ-OD1 2.71Å; R634-D1092 IonicContact NE-OD1 2.7Å; R634-D1092 IonicContact NH2-OD1 2.86Å; R634-D1092 PolarHBondContact NH2-OD1 3.47Å; K638-D1092 IonicContact NZ-OD2 2.64Å; K638-D1092 PolarHBondContact NZ-OD2 2.69Å; D1092-D1096 PolarHBondContact O-N 3.48Å; D1092-D1096 VanDerWaalsContact O-N 3.07Å
1093	Q	69.4	Low	53.4	Low	103 Å²	103	86.2 Å²	86.2	48%	0.481	49%	0.486	S	S	.	.	H	α-helix	trans	-65.9	-46.2	174	-176.5	60.3	43.8	0	0	113	N1091 V1095 D1096 D1097	N1091-Q1093 HydrophobicContact CB-CB 4.47Å; N1091-Q1093 PolarHBondContact O-N 2.97Å; N1091-Q1093 VanDerWaalsContact O-N 3.13Å; N1091-Q1093 PolarHBondContact OD1-N 3.15Å; N1091-Q1093 VanDerWaalsContact OD1-N 3.11Å; Q1093-V1095 PolarHBondContact O-N 3.33Å; Q1093-D1096 PolarHBondContact O-N 3.03Å; Q1093-D1097 WeakPolarHBondContact CG-OD2 3.49Å; Q1093-D1097 PolarHBondContact NE2-OD1 2.76Å; Q1093-D1097 PolarHBondContact NE2-OD2 3.42Å; Q1093-D1097 WeakPolarHBondContact O-CB 3.3Å; Q1093-D1097 PolarHBondContact O-N 3.23Å
1094	E	68.2	Low	54.6	Low	108 Å²	108	88.4 Å²	88.4	51%	0.505	48%	0.483	S	S	.	.	H	α-helix	trans	-64	-30.4	179.5	-68.8	168.3	141.7	0	0	111.5	I1090 N1091 F1098	I1090-E1094 WeakPolarHBondContact CA-OE2 3.44Å; I1090-E1094 HydrophobicContact CG2-CB 4.16Å; N1091-E1094 HydrophobicContact CB-CB 4.37Å; N1091-E1094 HydrophobicContact CB-CG 3.99Å; N1091-E1094 WeakPolarHBondContact CB-OE2 3.38Å; N1091-E1094 PolarHBondContact N-OE2 3.08Å; N1091-E1094 PolarHBondContact O-N 2.91Å; E1094-F1098 VanDerWaalsContact O-CB 3.24Å; E1094-F1098 WeakPolarHBondContact O-CB 3.43Å; E1094-F1098 PolarHBondContact O-N 3.22Å
1095	V	63.7	Low	55.7	Low	8 Å²	8	87.2 Å²	87.2	5%	0.048	47%	0.472	C	S	.	.	H	α-helix	trans	-74.7	-41.2	174.1	-176.4	0	0	0	0	111.7	I627 F631 I1090 N1091 Q1093 L1099	I627-V1095 HydrophobicContact CG2-CG2 3.87Å; F631-V1095 HydrophobicContact CB-CG1 3.86Å; F631-V1095 HydrophobicContact CD1-CG1 3.75Å; F631-V1095 HydrophobicContact CD2-CB 4.13Å; F631-V1095 HydrophobicContact CD2-CG1 4.01Å; F631-V1095 HydrophobicContact CE1-CG1 4.31Å; F631-V1095 HydrophobicContact CE2-CB 4.47Å; F631-V1095 HydrophobicContact CG-CB 4.23Å; F631-V1095 HydrophobicContact CG-CG1 3.59Å; I1090-V1095 HydrophobicContact CG2-CG2 3.88Å; N1091-V1095 PolarHBondContact O-N 2.91Å; Q1093-V1095 PolarHBondContact O-N 3.33Å; V1095-L1099 HydrophobicContact CG1-CD1 4.07Å; V1095-L1099 WeakPolarHBondContact O-CB 3.36Å; V1095-L1099 WeakPolarHBondContact O-CG 3.23Å; V1095-L1099 PolarHBondContact O-N 3.3Å
1096	D	67.3	Low	56.3	Low	31 Å²	31	85.8 Å²	85.8	17%	0.166	46%	0.455	C	S	.	.	H	α-helix	trans	-63.6	-41.3	172.1	-110.7	-30.1	0	0	0	110.6	F631 R635 D1092 Q1093 L1099 N1100	F631-D1096 HydrophobicContact CZ-CB 4.26Å; R635-D1096 IonicContact CZ-OD1 2.67Å; R635-D1096 VanDerWaalsContact CZ-OD1 3.22Å; R635-D1096 IonicContact CZ-OD2 3.84Å; R635-D1096 IonicContact NH1-OD1 2.83Å; R635-D1096 PolarHBondContact NH1-OD1 3.42Å; R635-D1096 IonicContact NH1-OD2 3.1Å; R635-D1096 IonicContact NH2-OD1 2.7Å; R635-D1096 PolarHBondContact NH2-OD1 3.24Å; R635-D1096 IonicContact NH2-OD2 2.7Å; R635-D1096 PolarHBondContact NH2-OD2 3.2Å; D1092-D1096 PolarHBondContact O-N 3.48Å; D1092-D1096 VanDerWaalsContact O-N 3.07Å; Q1093-D1096 PolarHBondContact O-N 3.03Å; D1096-L1099 PolarHBondContact O-N 3.41Å; D1096-N1100 VanDerWaalsContact O-CB 3.32Å; D1096-N1100 WeakPolarHBondContact O-CB 3.41Å; D1096-N1100 PolarHBondContact O-N 3.34Å; D1096-N1100 PolarHBondContact O-ND2 3.38Å
1097	D	72	Confident	56.7	Low	79 Å²	79	80.9 Å²	80.9	42%	0.422	44%	0.442	S	S	.	.	H	α-helix	trans	-66.9	-39.6	177.3	-69.9	-29.1	0	0	0	112.6	Q1093 N1100 C1101	Q1093-D1097 WeakPolarHBondContact CG-OD2 3.49Å; Q1093-D1097 PolarHBondContact NE2-OD1 2.76Å; Q1093-D1097 PolarHBondContact NE2-OD2 3.42Å; Q1093-D1097 WeakPolarHBondContact O-CB 3.3Å; Q1093-D1097 PolarHBondContact O-N 3.23Å; D1097-N1100 PolarHBondContact O-N 3Å; D1097-C1101 WeakPolarHBondContact O-CB 3.33Å; D1097-C1101 PolarHBondContact O-N 2.97Å
1098	F	67.9	Low	57	Low	98 Å²	98	80 Å²	80	43%	0.43	43%	0.428	S	S	.	.	H	α-helix	trans	-63.2	-42	171.3	175.4	-108.2	0	0	0	112.2	V624 E1094 C1101 L1102	V624-F1098 HydrophobicContact CG1-CE1 4.1Å; E1094-F1098 VanDerWaalsContact O-CB 3.24Å; E1094-F1098 WeakPolarHBondContact O-CB 3.43Å; E1094-F1098 PolarHBondContact O-N 3.22Å; F1098-C1101 PolarHBondContact O-N 2.89Å; F1098-L1102 HydrophobicContact CD1-CD1 4Å; F1098-L1102 HydrophobicContact CE1-CD1 3.49Å; F1098-L1102 VanDerWaalsContact CE1-CD1 3.49Å; F1098-L1102 HydrophobicContact CE1-CG 4.42Å; F1098-L1102 HydrophobicContact CE2-CD1 4.3Å; F1098-L1102 HydrophobicContact CE2-CG 4.43Å; F1098-L1102 HydrophobicContact CZ-CD1 3.67Å; F1098-L1102 HydrophobicContact CZ-CG 4.25Å; F1098-L1102 WeakPolarHBondContact O-CB 3.4Å; F1098-L1102 WeakPolarHBondContact O-CG 3.45Å; F1098-L1102 PolarHBondContact O-N 3.3Å
1099	L	63.1	Low	57.4	Low	4 Å²	4	81.1 Å²	81.1	2%	0.021	43%	0.428	C	S	.	.	H	α-helix	trans	-67.8	-39.9	176.2	-71.8	168.8	0	0	0	112	F631 V1095 D1096 L1102 I1103 L1116	F631-L1099 HydrophobicContact CD1-CD1 3.82Å; F631-L1099 HydrophobicContact CE1-CD1 3.66Å; V1095-L1099 HydrophobicContact CG1-CD1 4.07Å; V1095-L1099 WeakPolarHBondContact O-CB 3.36Å; V1095-L1099 WeakPolarHBondContact O-CG 3.23Å; V1095-L1099 PolarHBondContact O-N 3.3Å; D1096-L1099 PolarHBondContact O-N 3.41Å; L1099-L1102 PolarHBondContact O-N 2.87Å; L1099-I1103 WeakPolarHBondContact O-CD1 3.42Å; L1099-I1103 WeakPolarHBondContact O-CG1 3.36Å; L1099-I1103 PolarHBondContact O-N 2.92Å; L1099-L1116 HydrophobicContact CD2-CD2 3.92Å
1100	N	65.2	Low	57.6	Low	67 Å²	67	75.6 Å²	75.6	36%	0.358	40%	0.398	S	S	.	.	H	α-helix	trans	-64.7	-42.8	174.2	-69.5	-32	0	0	0	111	D1096 D1097 L1102 I1103 Q1104	D1096-N1100 VanDerWaalsContact O-CB 3.32Å; D1096-N1100 WeakPolarHBondContact O-CB 3.41Å; D1096-N1100 PolarHBondContact O-N 3.34Å; D1096-N1100 PolarHBondContact O-ND2 3.38Å; D1097-N1100 PolarHBondContact O-N 3Å; N1100-L1102 VanDerWaalsContact C-N 3.34Å; N1100-L1102 PolarHBondContact O-N 3.37Å; N1100-I1103 PolarHBondContact O-N 3.16Å; N1100-Q1104 WeakPolarHBondContact O-CB 3.36Å; N1100-Q1104 WeakPolarHBondContact O-CG 3.37Å; N1100-Q1104 PolarHBondContact O-N 3.08Å
1101	C	64.1	Low	57.5	Low	60 Å²	60	79.9 Å²	79.9	41%	0.405	42%	0.416	S	S	.	.	H	α-helix	trans	-62.9	-38.3	175.1	-175.1	0	0	0	0	111.9	D1097 F1098 Q1104 N1105	D1097-C1101 WeakPolarHBondContact O-CB 3.33Å; D1097-C1101 PolarHBondContact O-N 2.97Å; F1098-C1101 PolarHBondContact O-N 2.89Å; C1101-Q1104 PolarHBondContact O-N 3.41Å; C1101-N1105 WeakPolarHBondContact O-CB 3.28Å; C1101-N1105 PolarHBondContact O-N 2.95Å; C1101-N1105 PolarHBondContact O-ND2 2.85Å; C1101-N1105 PolarHBondContact SG-ND2 3.49Å
1102	L	54.1	Low	57.1	Low	57 Å²	57	78.1 Å²	78.1	30%	0.298	41%	0.411	S	S	.	.	H	α-helix	trans	-64	-41.8	171.1	-83.6	170.4	0	0	0	112.5	F1098 L1099 N1100 N1106	F1098-L1102 HydrophobicContact CD1-CD1 4Å; F1098-L1102 HydrophobicContact CE1-CD1 3.49Å; F1098-L1102 VanDerWaalsContact CE1-CD1 3.49Å; F1098-L1102 HydrophobicContact CE1-CG 4.42Å; F1098-L1102 HydrophobicContact CE2-CD1 4.3Å; F1098-L1102 HydrophobicContact CE2-CG 4.43Å; F1098-L1102 HydrophobicContact CZ-CD1 3.67Å; F1098-L1102 HydrophobicContact CZ-CG 4.25Å; F1098-L1102 WeakPolarHBondContact O-CB 3.4Å; F1098-L1102 WeakPolarHBondContact O-CG 3.45Å; F1098-L1102 PolarHBondContact O-N 3.3Å; L1099-L1102 PolarHBondContact O-N 2.87Å; N1100-L1102 VanDerWaalsContact C-N 3.34Å; N1100-L1102 PolarHBondContact O-N 3.37Å; L1102-N1106 WeakPolarHBondContact O-CB 3.41Å; L1102-N1106 PolarHBondContact O-N 3.26Å
1103	I	56.1	Low	56.6	Low	50 Å²	50	77 Å²	77	26%	0.256	41%	0.407	S	S	.	.	H	α-helix	trans	-69.4	-33.6	178.3	-68	160.5	0	0	0	111.6	L1099 N1100 A1113 L1116	L1099-I1103 WeakPolarHBondContact O-CD1 3.42Å; L1099-I1103 WeakPolarHBondContact O-CG1 3.36Å; L1099-I1103 PolarHBondContact O-N 2.92Å; N1100-I1103 PolarHBondContact O-N 3.16Å; I1103-A1113 HydrophobicContact CD1-CB 3.79Å; I1103-L1116 HydrophobicContact CG1-CD2 4.19Å
1104	Q	56.4	Low	55.8	Low	161 Å²	161	78.7 Å²	78.7	75%	0.752	41%	0.413	S	S	*	.	H	α-helix	trans	-77.3	-37.8	177.4	-73.5	174.8	-7	0	0	112.9	N1100 C1101	N1100-Q1104 WeakPolarHBondContact O-CB 3.36Å; N1100-Q1104 WeakPolarHBondContact O-CG 3.37Å; N1100-Q1104 PolarHBondContact O-N 3.08Å; C1101-Q1104 PolarHBondContact O-N 3.41Å
1105	N	50.2	Low	55.1	Low	123 Å²	123	77.1 Å²	77.1	66%	0.658	41%	0.406	S	S	*	.	H	α-helix	trans	-92.3	-18.2	-175.9	-69	-64.8	0	0	0	114.7	C1101	C1101-N1105 WeakPolarHBondContact O-CB 3.28Å; C1101-N1105 PolarHBondContact O-N 2.95Å; C1101-N1105 PolarHBondContact O-ND2 2.85Å; C1101-N1105 PolarHBondContact SG-ND2 3.49Å
1106	N	41.7	Very low	54.6	Low	84 Å²	84	78 Å²	78	45%	0.449	41%	0.41	S	S	.	.			trans	-103	121.6	171.6	-77.4	-64.6	0	0	0	112.1	L1102 T1108	L1102-N1106 WeakPolarHBondContact O-CB 3.41Å; L1102-N1106 PolarHBondContact O-N 3.26Å; N1106-T1108 HydrophobicContact CB-CG2 4.28Å; N1106-T1108 PolarHBondContact O-N 3.43Å; N1106-T1108 PolarHBondContact O-OG1 3.3Å
1107	S	36.6	Very low	53.8	Low	89 Å²	89	76.9 Å²	76.9	62%	0.622	41%	0.405	S	S	*	.			trans	-77.3	55.3	169.9	57.1	0	0	0	0	112.7	K109	K109-S1107 VanDerWaalsContact CE-OG 3.27Å; K109-S1107 WeakPolarHBondContact CE-OG 3.45Å; K109-S1107 PolarHBondContact NZ-O 2.99Å; K109-S1107 PolarHBondContact NZ-OG 2.58Å
1108	T	40.3	Very low	52.8	Low	70 Å²	70	75.6 Å²	75.6	43%	0.429	40%	0.398	S	S	.	.			trans	-95.7	149.5	170.1	44.5	0	0	0	0	110.9	N1106 F1110	N1106-T1108 HydrophobicContact CB-CG2 4.28Å; N1106-T1108 PolarHBondContact O-N 3.43Å; N1106-T1108 PolarHBondContact O-OG1 3.3Å; T1108-F1110 HydrophobicContact CG2-CE2 4.22Å; T1108-F1110 PolarHBondContact O-N 2.84Å; T1108-F1110 WeakPolarHBondContact OG1-CD2 3.44Å
1109	N	47.9	Very low	52	Low	132 Å²	132	76 Å²	76	71%	0.706	41%	0.405	S	S	*	.	S	Bend	trans	-75.4	46.3	-174.8	-65.7	-0.4	0	0	0	113.9
1110	F	47.4	Very low	51.3	Low	49 Å²	49	77.9 Å²	77.9	22%	0.215	41%	0.414	C	S	.	.			trans	-108.9	83.4	179.8	-55.4	-40.7	0	0	0	109.6	T1108 S1112 Q1115 L1116	T1108-F1110 HydrophobicContact CG2-CE2 4.22Å; T1108-F1110 PolarHBondContact O-N 2.84Å; T1108-F1110 WeakPolarHBondContact OG1-CD2 3.44Å; F1110-S1112 PolarHBondContact O-N 3.37Å; F1110-Q1115 HydrophobicContact CB-CB 4.24Å; F1110-Q1115 HydrophobicContact CD1-CB 3.7Å; F1110-Q1115 HydrophobicContact CG-CB 4.32Å; F1110-L1116 HydrophobicContact CB-CB 4.42Å; F1110-L1116 HydrophobicContact CD2-CB 4.11Å; F1110-L1116 HydrophobicContact CD2-CD1 3.82Å; F1110-L1116 HydrophobicContact CE2-CD1 3.82Å; F1110-L1116 HydrophobicContact CG-CB 4.29Å
1111	H	51.7	Low	50.4	Low	172 Å²	172	80.8 Å²	80.8	80%	0.796	42%	0.42	S	S	*	.	S	Bend	trans	-65.2	-4.7	177.2	-60.1	-72	0	0	0	113.5
1112	S	54.1	Low	48.8	Very low	53 Å²	53	80.3 Å²	80.3	37%	0.371	43%	0.426	S	S	.	.	S	Bend	trans	-153.3	157.9	168	67.4	0	0	0	0	111.9	F1110 K1114 Q1115	F1110-S1112 PolarHBondContact O-N 3.37Å; S1112-K1114 PolarHBondContact O-N 2.88Å; S1112-K1114 PolarHBondContact OG-N 2.68Å; S1112-Q1115 PolarHBondContact O-N 3.17Å; S1112-Q1115 VanDerWaalsContact O-N 3.08Å
1113	A	51.5	Low	47.6	Very low	20 Å²	20	80.8 Å²	80.8	17%	0.165	44%	0.444	C	S	.	.	H	α-helix	trans	-56.5	-14.5	170.5	0	0	0	0	0	114	I1103 A1117	I1103-A1113 HydrophobicContact CD1-CB 3.79Å; A1113-A1117 WeakPolarHBondContact O-CB 3.49Å; A1113-A1117 PolarHBondContact O-N 3.46Å; A1113-A1117 VanDerWaalsContact O-N 3.07Å
1114	K	53.1	Low	46.2	Very low	137 Å²	137	85.8 Å²	85.8	60%	0.596	47%	0.471	S	S	*	.	H	α-helix	trans	-70.4	-43.7	173.9	-161.2	-150.8	170.2	-142.4	0	111.9	S1112 L1116 A1117 D1118	S1112-K1114 PolarHBondContact O-N 2.88Å; S1112-K1114 PolarHBondContact OG-N 2.68Å; K1114-L1116 VanDerWaalsContact C-N 3.34Å; K1114-L1116 PolarHBondContact O-N 2.8Å; K1114-A1117 VanDerWaalsContact O-CB 3.31Å; K1114-A1117 WeakPolarHBondContact O-CB 3.5Å; K1114-A1117 PolarHBondContact O-N 2.84Å; K1114-A1117 VanDerWaalsContact O-N 3.14Å; K1114-D1118 WeakPolarHBondContact CE-OD2 3.42Å; K1114-D1118 IonicContact NZ-OD2 2.71Å; K1114-D1118 PolarHBondContact NZ-OD2 3.04Å; K1114-D1118 VanDerWaalsContact O-CG 3.24Å; K1114-D1118 PolarHBondContact O-N 3.37Å
1115	Q	53.4	Low	44.8	Very low	76 Å²	76	86.9 Å²	86.9	36%	0.355	48%	0.476	S	S	.	.	H	α-helix	trans	-69.2	-35.1	-178.6	-65.4	171.6	-69.7	0	0	111.9	F1110 S1112 N1119	F1110-Q1115 HydrophobicContact CB-CB 4.24Å; F1110-Q1115 HydrophobicContact CD1-CB 3.7Å; F1110-Q1115 HydrophobicContact CG-CB 4.32Å; S1112-Q1115 PolarHBondContact O-N 3.17Å; S1112-Q1115 VanDerWaalsContact O-N 3.08Å; Q1115-N1119 PolarHBondContact O-N 3.08Å; Q1115-N1119 PolarHBondContact O-ND2 3.28Å
1116	L	52.8	Low	43.7	Very low	27 Å²	27	86.9 Å²	86.9	14%	0.141	48%	0.481	C	S	.	.	H	α-helix	trans	-65.1	-40.6	170.3	-177.7	61.9	0	0	0	111.4	L1099 I1103 F1110 K1114 I1120	L1099-L1116 HydrophobicContact CD2-CD2 3.92Å; I1103-L1116 HydrophobicContact CG1-CD2 4.19Å; F1110-L1116 HydrophobicContact CB-CB 4.42Å; F1110-L1116 HydrophobicContact CD2-CB 4.11Å; F1110-L1116 HydrophobicContact CD2-CD1 3.82Å; F1110-L1116 HydrophobicContact CE2-CD1 3.82Å; F1110-L1116 HydrophobicContact CG-CB 4.29Å; K1114-L1116 VanDerWaalsContact C-N 3.34Å; K1114-L1116 PolarHBondContact O-N 2.8Å; L1116-I1120 HydrophobicContact CD1-CD1 4.29Å; L1116-I1120 HydrophobicContact CG-CD1 4.12Å; L1116-I1120 WeakPolarHBondContact O-CD1 3.48Å; L1116-I1120 VanDerWaalsContact O-CG1 3.29Å; L1116-I1120 WeakPolarHBondContact O-CG1 3.4Å; L1116-I1120 PolarHBondContact O-N 2.87Å
1117	A	51.1	Low	43	Very low	6 Å²	6	87.5 Å²	87.5	5%	0.05	50%	0.498	C	S	.	.	H	α-helix	trans	-64.2	-44	177.7	0	0	0	0	0	113.9	L632 A1113 K1114 I1120 R1121	L632-A1117 HydrophobicContact CD1-CB 3.35Å; L632-A1117 HydrophobicContact CD2-CB 3.38Å; L632-A1117 HydrophobicContact CG-CB 3.87Å; A1113-A1117 WeakPolarHBondContact O-CB 3.49Å; A1113-A1117 PolarHBondContact O-N 3.46Å; A1113-A1117 VanDerWaalsContact O-N 3.07Å; K1114-A1117 VanDerWaalsContact O-CB 3.31Å; K1114-A1117 WeakPolarHBondContact O-CB 3.5Å; K1114-A1117 PolarHBondContact O-N 2.84Å; K1114-A1117 VanDerWaalsContact O-N 3.14Å; A1117-I1120 PolarHBondContact O-N 2.93Å; A1117-R1121 PolarHBondContact O-N 3.07Å
1118	D	49.9	Very low	42.5	Very low	53 Å²	53	93.1 Å²	93.1	28%	0.283	51%	0.514	S	S	.	.	H	α-helix	trans	-69.9	-37	-176.2	-64.6	-24.3	0	0	0	110.2	K1114 I1120 R1121	K1114-D1118 WeakPolarHBondContact CE-OD2 3.42Å; K1114-D1118 IonicContact NZ-OD2 2.71Å; K1114-D1118 PolarHBondContact NZ-OD2 3.04Å; K1114-D1118 VanDerWaalsContact O-CG 3.24Å; K1114-D1118 PolarHBondContact O-N 3.37Å; D1118-I1120 PolarHBondContact O-N 2.93Å; D1118-R1121 WeakPolarHBondContact O-CB 3.43Å; D1118-R1121 PolarHBondContact O-N 3.06Å
1119	N	51.4	Low	41.9	Very low	107 Å²	107	93.9 Å²	93.9	57%	0.572	53%	0.528	S	S	*	.	H	α-helix	trans	-63	-38.3	169.4	-81.3	-82.7	0	0	0	113.4	Q1115 R1121 G1122	Q1115-N1119 PolarHBondContact O-N 3.08Å; Q1115-N1119 PolarHBondContact O-ND2 3.28Å; N1119-R1121 PolarHBondContact O-N 3.44Å; N1119-G1122 PolarHBondContact O-N 2.99Å
1120	I	47.7	Very low	40.9	Very low	43 Å²	43	96.1 Å²	96.1	22%	0.221	53%	0.534	C	S	.	.	H	α-helix	trans	-67	-18.1	177.4	-72.8	167.2	0	0	0	112.6	R629 L1116 A1117 D1118	R629-I1120 HydrophobicContact CG-CG2 3.92Å; R629-I1120 VanDerWaalsContact CZ-O 3.3Å; R629-I1120 PolarHBondContact NE-O 3.45Å; R629-I1120 PolarHBondContact NH2-O 2.8Å; L1116-I1120 HydrophobicContact CD1-CD1 4.29Å; L1116-I1120 HydrophobicContact CG-CD1 4.12Å; L1116-I1120 WeakPolarHBondContact O-CD1 3.48Å; L1116-I1120 VanDerWaalsContact O-CG1 3.29Å; L1116-I1120 WeakPolarHBondContact O-CG1 3.4Å; L1116-I1120 PolarHBondContact O-N 2.87Å; A1117-I1120 PolarHBondContact O-N 2.93Å; D1118-I1120 PolarHBondContact O-N 2.93Å
1121	R	46.1	Very low	39.8	Very low	127 Å²	127	106 Å²	106	48%	0.479	57%	0.57	S	S	.	*	H	α-helix	trans	-75.3	-22.2	174.7	-69.4	174.4	178.1	-113.4	-3.2	113.5	A1117 D1118 N1119	A1117-R1121 PolarHBondContact O-N 3.07Å; D1118-R1121 WeakPolarHBondContact O-CB 3.43Å; D1118-R1121 PolarHBondContact O-N 3.06Å; N1119-R1121 PolarHBondContact O-N 3.44Å
1122	G	30.4	Very low	38.7	Very low	51 Å²	51	102.9 Å²	102.9	53%	0.526	57%	0.568	S	S	.	*			trans	84.6	119.8	-163.1	0	0	0	0	0	109.7	N1119 N1124	N1119-G1122 PolarHBondContact O-N 2.99Å; G1122-N1124 PolarHBondContact O-N 3.16Å
1123	G	28.6	Very low	37.2	Very low	66 Å²	66	108.1 Å²	108.1	68%	0.68	59%	0.592	S	S	*	*			trans	-78.8	99.4	-168.5	0	0	0	0	0	113.9
1124	N	27.2	Very low	36	Very low	155 Å²	155	112.3 Å²	112.3	83%	0.829	62%	0.62	S	S	*	*			trans	-93.6	76.5	150	-89	2.2	0	0	0	108.5	G1122 T1126	G1122-N1124 PolarHBondContact O-N 3.16Å; N1124-T1126 PolarHBondContact O-N 3.11Å
1125	E	28	Very low	34.7	Very low	184 Å²	184	113 Å²	113	86%	0.86	63%	0.629	S	S	*	*			trans	-88.1	82.4	168.2	-72.5	-162.7	151	0	0	110.3
1126	T	26.5	Very low	33.3	Very low	123 Å²	123	116.3 Å²	116.3	76%	0.755	65%	0.649	S	S	*	*			trans	-135.1	149.5	163.2	48.1	0	0	0	0	109.1	N1124	N1124-T1126 PolarHBondContact O-N 3.11Å
1127	A	27.1	Very low	32	Very low	98 Å²	98	121.4 Å²	121.4	81%	0.81	68%	0.676	S	S	*	*			trans	71.9	71.5	-177.7	0	0	0	0	0	116.9
1128	Q	26.5	Very low	30.8	Very low	206 Å²	206	127.3 Å²	127.3	96%	0.963	71%	0.707	S	S	*	*			trans	-131.4	79.7	136.8	-76.1	-152.2	-28.7	0	0	111
1129	A	27.8	Very low	29.5	Very low	86 Å²	86	132.1 Å²	132.1	71%	0.711	73%	0.732	S	S	*	*			trans	-107.6	150.4	148.1	0	0	0	0	0	105.5
1130	E	27.1	Very low	28.2	Very low	180 Å²	180	132.1 Å²	132.1	84%	0.841	74%	0.741	S	S	*	*			cis	-175.7	151.6	-4.3	-108.5	170.4	-177.5	0	0	102.9
1131	R	24.1	Very low	27.2	Very low	255 Å²	255	137.6 Å²	137.6	96%	0.962	77%	0.77	S	S	*	*			trans	-153	79.9	169.6	-98.1	-160.8	177.6	-165.2	-1.7	111
1132	S	27.2	Very low	26.1	Very low	108 Å²	108	143.3 Å²	143.3	76%	0.755	79%	0.791	S	S	*	*			trans	-163.9	108.6	161.7	50.8	0	0	0	0	109
1133	D	23.8	Very low	26	Very low	163 Å²	163	148.8 Å²	148.8	87%	0.872	80%	0.803	S	S	*	*			trans	-71	135.4	-175.5	-46.9	-95	0	0	0	112.5
1134	S	26.1	Very low	25.9	Very low	108 Å²	108	151.9 Å²	151.9	76%	0.755	80%	0.804	S	S	*	*			trans	-179.2	131.7	131.9	30.6	0	0	0	0	115.1
1135	L	26.3	Very low	25.9	Very low	152 Å²	152	153.8 Å²	153.8	80%	0.796	81%	0.807	S	S	*	*			trans	64.2	92.6	143.3	-59.9	169.7	0	0	0	121.2
1136	L	23.9	Very low	25.9	Very low	145 Å²	145	151.2 Å²	151.2	76%	0.759	80%	0.795	S	S	*	*				65.9	127.3	121.8	-66.7	172.9	0	0	0	122.7
1137	N	25.2	Very low	26	Very low	133 Å²	133	150.6 Å²	150.6	71%	0.711	79%	0.793	S	S	*	*			trans	96.5	127.5	138.6	-73.1	8.3	0	0	0	122.3
1138	N	26.6	Very low	26.1	Very low	131 Å²	131	151.5 Å²	151.5	70%	0.701	79%	0.791	S	S	*	*			trans	75.5	88.1	146.8	-63.4	21.1	0	0	0	120
1139	D	22.1	Very low	26.2	Very low	153 Å²	153	147.6 Å²	147.6	82%	0.818	78%	0.783	S	S	*	*				60.8	144.3	114	-78.3	-40.7	0	0	0	123.4
1140	S	24	Very low	26.2	Very low	108 Å²	108	151.6 Å²	151.6	76%	0.755	79%	0.792	S	S	*	*			trans	79.2	91	160.7	73.3	0	0	0	0	118.7
1141	L	27.1	Very low	26.1	Very low	157 Å²	157	150.9 Å²	150.9	82%	0.822	79%	0.793	S	S	*	*				-171.9	115.6	121.7	-101.1	161.4	0	0	0	110.6
1142	R	23.5	Very low	26.2	Very low	247 Å²	247	144.3 Å²	144.3	93%	0.932	78%	0.783	S	S	*	*			trans	-82.7	122.3	170.2	-73.4	-178.4	175.4	179.6	-2	109.3
1143	H	28.1	Very low	26.1	Very low	166 Å²	166	145.3 Å²	145.3	77%	0.769	79%	0.785	S	S	*	*			trans	-130.2	145.4	166.3	-95.2	-46.3	0	0	0	112.5
1144	N	26.6	Very low	26.2	Very low	131 Å²	131	142.5 Å²	142.5	70%	0.701	78%	0.775	S	S	*	*			trans	-71.3	137.2	-164	-56	-21.2	0	0	0	112.9	H1146	N1144-H1146 PolarHBondContact O-N 2.86Å
1145	H	26.5	Very low	26	Very low	195 Å²	195	142.5 Å²	142.5	90%	0.903	78%	0.775	S	S	*	*			trans	-70.3	121.8	156.7	-75.9	-75.5	0	0	0	109.8
1146	H	27.7	Very low	26.1	Very low	130 Å²	130	140.3 Å²	140.3	60%	0.602	76%	0.757	S	S	*	*			trans	-109.9	139	160	-79.9	-66.1	0	0	0	109.1	N1144	N1144-H1146 PolarHBondContact O-N 2.86Å
1147	P	29.6	Very low	26.2	Very low	110 Å²	110	136.8 Å²	136.8	71%	0.714	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-73.4	157.1	172.3	32.2	-35.1	0	0	0	111.2
1148	P	28.8	Very low	26.1	Very low	118 Å²	118	135.5 Å²	135.5	77%	0.766	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-69.2	142.8	176.4	29.5	-34.9	0	0	0	111.6
1149	P	29.3	Very low	26	Very low	124 Å²	124	133.3 Å²	133.3	81%	0.805	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-72.5	145.6	173.6	30.9	-34.3	0	0	0	111.4
1150	L	26.4	Very low	26.1	Very low	170 Å²	170	131.3 Å²	131.3	89%	0.89	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-69.3	142.9	173	-71.7	165.6	0	0	0	111.1	P1152	L1150-P1152 WeakPolarHBondContact O-CD 3.26Å
1151	L	26	Very low	26.3	Very low	165 Å²	165	133.2 Å²	133.2	86%	0.864	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-70.4	123.5	179.4	-70	164.3	0	0	0	111.6
1152	P	26.3	Very low	26.2	Very low	117 Å²	117	129.4 Å²	129.4	76%	0.76	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-75.5	135.8	160.6	31.3	-31.3	0	0	0	109.9	L1150	L1150-P1152 WeakPolarHBondContact O-CD 3.26Å
1153	V	24.4	Very low	26.3	Very low	129 Å²	129	123.8 Å²	123.8	78%	0.782	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-79.4	129.4	171.6	-179.5	0	0	0	0	108.3	S1155	V1153-S1155 PolarHBondContact O-N 3.46Å
1154	P	25.5	Very low	26.2	Very low	103 Å²	103	120.2 Å²	120.2	67%	0.669	68%	0.683	S	S	*	*			trans	-75	98.5	-171.4	29.2	-35.4	0	0	0	112.4
1155	S	23.1	Very low	26.1	Very low	109 Å²	109	116.9 Å²	116.9	76%	0.762	67%	0.669	S	S	*	*			trans	-72.9	126.9	166	53.6	0	0	0	0	111	V1153	V1153-S1155 PolarHBondContact O-N 3.46Å
1156	Y	27.8	Very low	26	Very low	106 Å²	106	113.3 Å²	113.3	42%	0.416	67%	0.665	S	S	.	*			trans	-60.5	138.2	173	-127.1	-90.4	0	0	0	111.2	E607	E607-Y1156 HydrophobicContact CG-CD1 3.92Å; E607-Y1156 HydrophobicContact CG-CD2 4.36Å; E607-Y1156 HydrophobicContact CG-CE1 3.74Å; E607-Y1156 HydrophobicContact CG-CE2 4.19Å; E607-Y1156 HydrophobicContact CG-CG 4.22Å; E607-Y1156 VanDerWaalsContact OE2-CB 3.24Å; E607-Y1156 WeakPolarHBondContact OE2-CB 3.46Å; E607-Y1156 VanDerWaalsContact OE2-CD1 3.28Å; E607-Y1156 WeakPolarHBondContact OE2-CD1 3.47Å
1157	A	25	Very low	26.1	Very low	70 Å²	70	113.9 Å²	113.9	58%	0.579	68%	0.677	S	S	*	*			trans	-137.9	143.4	175.1	0	0	0	0	0	109.9
1158	P	23.1	Very low	25.8	Very low	106 Å²	106	111.9 Å²	111.9	69%	0.688	68%	0.677	S	S	*	*			trans	-71.2	161.2	-176.8	30.6	-36.4	0	0	0	112.3	V1160	P1158-V1160 WeakPolarHBondContact O-CG2 3.42Å; P1158-V1160 PolarHBondContact O-N 2.85Å; P1158-V1160 VanDerWaalsContact O-N 3.1Å
1159	P	24.9	Very low	25.6	Very low	86 Å²	86	115.9 Å²	115.9	56%	0.558	69%	0.685	S	S	*	*			trans	-61.6	112.9	-175	23.1	-34.5	0	0	0	112.9
1160	V	25	Very low	25.3	Very low	110 Å²	110	121 Å²	121	67%	0.667	69%	0.689	S	S	*	*			trans	-96.4	128.1	176.8	-174.6	0	0	0	0	110.4	P1158 V1162	P1158-V1160 WeakPolarHBondContact O-CG2 3.42Å; P1158-V1160 PolarHBondContact O-N 2.85Å; P1158-V1160 VanDerWaalsContact O-N 3.1Å; V1160-V1162 HydrophobicContact CB-CG2 4.06Å; V1160-V1162 HydrophobicContact CG1-CG2 3.74Å; V1160-V1162 PolarHBondContact O-N 3.16Å; V1160-V1162 VanDerWaalsContact O-N 3.07Å
1161	F	27.2	Very low	25.1	Very low	149 Å²	149	119 Å²	119	65%	0.654	68%	0.683	S	S	*	*			trans	-74.4	91.2	168.5	-68.1	-88.8	0	0	0	110.1	L538	L538-F1161 HydrophobicContact CD1-CZ 4.43Å
1162	V	26.3	Very low	24.8	Very low	76 Å²	76	117.9 Å²	117.9	46%	0.461	68%	0.678	S	S	.	*			trans	-92.2	132.4	180	-169	0	0	0	0	111.9	A18 V1160 L1164	A18-V1162 HydrophobicContact CB-CB 4.2Å; A18-V1162 HydrophobicContact CB-CG1 3.64Å; A18-V1162 HydrophobicContact CB-CG2 4.29Å; V1160-V1162 HydrophobicContact CB-CG2 4.06Å; V1160-V1162 HydrophobicContact CG1-CG2 3.74Å; V1160-V1162 PolarHBondContact O-N 3.16Å; V1160-V1162 VanDerWaalsContact O-N 3.07Å; V1162-L1164 HydrophobicContact CG1-CD2 4.41Å
1163	M	24.8	Very low	24.6	Very low	129 Å²	129	119.6 Å²	119.6	64%	0.635	68%	0.679	S	S	*	*			trans	-92.4	133.5	162.9	-65.3	-163	-65.6	0	0	109.8	F520	F520-M1163 HydrophobicContact CD2-CE 3.95Å; F520-M1163 HydrophobicContact CD2-SD 3.37Å; F520-M1163 WeakPolarHBondContact CD2-SD 3.29Å; F520-M1163 HydrophobicContact CE2-CE 4.24Å; F520-M1163 HydrophobicContact CE2-SD 3.44Å; F520-M1163 WeakPolarHBondContact CE2-SD 3.47Å; F520-M1163 HydrophobicContact CG-SD 4.46Å
1164	L	25.1	Very low	24.3	Very low	91 Å²	91	121.4 Å²	121.4	48%	0.476	68%	0.684	S	S	.	*			trans	-105.7	116.8	-175.2	-66.1	168.4	0	0	0	111.4	A18 V19 V1162	A18-L1164 HydrophobicContact CB-CD2 3.58Å; V19-L1164 HydrophobicContact CG2-CD1 3.82Å; V19-L1164 HydrophobicContact CG2-CD2 3.73Å; V19-L1164 HydrophobicContact CG2-CG 4.45Å; V1162-L1164 HydrophobicContact CG1-CD2 4.41Å
1165	P	24.7	Very low	24.1	Very low	62 Å²	62	123.3 Å²	123.3	40%	0.403	69%	0.687	S	S	.	*			trans	-80.2	145.5	160.8	-7.5	26.1	0	0	0	110.3
1166	C	25.8	Very low	24	Very low	120 Å²	120	128.1 Å²	128.1	81%	0.811	69%	0.694	S	S	*	*			trans	-98.1	115.5	178.2	-67.2	0	0	0	0	112
1167	T	28.9	Very low	23.6	Very low	141 Å²	141	130.5 Å²	130.5	87%	0.865	71%	0.709	S	S	*	*			trans	174.3	173.3	146.1	23.7	0	0	0	0	108.8
1168	G	23.6	Very low	23.5	Very low	68 Å²	68	135.6 Å²	135.6	70%	0.701	72%	0.718	S	S	*	*			trans	-178.3	159.9	168.9	0	0	0	0	0	113.5
1169	E	25.4	Very low	23.5	Very low	202 Å²	202	136 Å²	136	94%	0.944	72%	0.715	S	S	*	*			trans	-161.6	-162.2	159	-118.4	171.2	-158	0	0	111.1
1170	R	21.3	Very low	23.3	Very low	233 Å²	233	139.6 Å²	139.6	88%	0.879	72%	0.722	S	S	*	*			trans	-107.4	160.1	-158.8	-54.9	171.5	177.8	175.2	-1.8	114.3
1171	T	22.2	Very low	23.1	Very low	127 Å²	127	138.8 Å²	138.8	78%	0.779	71%	0.713	S	S	*	*				155.6	120.3	121.3	-67.9	0	0	0	0	117.2
1172	L	21	Very low	23.3	Very low	142 Å²	142	135.4 Å²	135.4	74%	0.743	71%	0.706	S	S	*	*			trans	48.7	176.8	147.6	-76.4	164.3	0	0	0	125
1173	L	21	Very low	23.2	Very low	152 Å²	152	137.9 Å²	137.9	80%	0.796	71%	0.713	S	S	*	*			trans	-149.9	157.6	-153.5	-127.9	174.1	0	0	0	111.5
1174	L	19.4	Very low	23.1	Very low	167 Å²	167	137.7 Å²	137.7	87%	0.874	71%	0.71	S	S	*	*			trans	-161.6	168.9	166.1	-115	162.8	0	0	0	113.9
1175	I	21	Very low	23	Very low	144 Å²	144	139.4 Å²	139.4	74%	0.738	72%	0.716	S	S	*	*			trans	-137.8	157.1	-158.3	-59.5	170.2	0	0	0	112.4
1176	K	20.2	Very low	23	Very low	210 Å²	210	143 Å²	143	91%	0.913	73%	0.727	S	S	*	*			trans	-154.3	175.9	158.3	-119.3	176.1	-177	-177.6	0	114.9
1177	H	20.7	Very low	22.9	Very low	156 Å²	156	142.7 Å²	142.7	72%	0.722	72%	0.718	S	S	*	*			trans	-152.9	178.2	-152.3	-136.9	-93.5	0	0	0	115.1
1178	F	22.3	Very low	22.7	Very low	177 Å²	177	142.9 Å²	142.9	78%	0.776	71%	0.708	S	S	*	*			trans	83.9	157.1	169.2	-64.1	-74.7	0	0	0	119.2
1179	N	22.1	Very low	22.8	Very low	114 Å²	114	147.5 Å²	147.5	61%	0.61	71%	0.709	S	S	*	*			cis	-156.1	-167.1	10.6	-126.6	-12.8	0	0	0	110.9
1180	F	21.9	Very low	22.9	Very low	162 Å²	162	139.5 Å²	139.5	71%	0.711	68%	0.678	S	S	*	*			cis	-168.7	147.4	1.4	-119.6	-19.9	0	0	0	112.5
1181	L	20.3	Very low	23.5	Very low	93 Å²	93	136.3 Å²	136.3	49%	0.487	67%	0.667	S	S	.	*				34.3	169.3	128	-69.9	-175.3	0	0	0	126.2	D1017 L1018	D1017-L1181 HydrophobicContact CB-CD2 3.37Å; L1018-L1181 HydrophobicContact CD1-CD2 4.11Å
1182	P	30.5	Very low	24.5	Very low	78 Å²	78	133.1 Å²	133.1	51%	0.506	64%	0.644	S	S	.	*			cis	-150	-169.7	-25.9	42	-21.5	0	0	0	119.5	D1017	D1017-P1182 WeakPolarHBondContact OD2-CA 3.24Å; D1017-P1182 WeakPolarHBondContact OD2-CB 3.48Å
1183	Q	24.3	Very low	26.1	Very low	127 Å²	127	127.8 Å²	127.8	59%	0.593	62%	0.615	S	S	*	*			trans	84	151.2	154.3	-76.5	167.2	-90.1	0	0	118.7	D1017	D1017-Q1183 PolarHBondContact OD2-N 2.89Å
1184	Q	23.4	Very low	28	Very low	126 Å²	126	121.1 Å²	121.1	59%	0.589	58%	0.58	S	S	*	*			cis	-162.3	176.2	10.1	-125.4	159	-82.9	0	0	107.7
1185	E	23.6	Very low	30.2	Very low	126 Å²	126	114.3 Å²	114.3	59%	0.589	55%	0.545	S	S	*	.			cis	-168.3	-170.9	-2.5	-145.3	177.8	-69.6	0	0	106.6
1186	Q	24	Very low	32.3	Very low	139 Å²	139	107.7 Å²	107.7	65%	0.65	51%	0.511	S	S	*	.			cis	-169	152.3	2.5	-165.3	-167	89.9	0	0	112.5
1187	N	24	Very low	34	Very low	113 Å²	113	99.1 Å²	99.1	60%	0.604	48%	0.48	S	S	*	.			trans	71.3	125.9	149.9	-98.8	-33.7	0	0	0	127
1188	H	25.1	Very low	35.4	Very low	145 Å²	145	93.6 Å²	93.6	67%	0.671	46%	0.455	S	S	*	.			trans	93.8	144.2	143.8	-74.3	24.2	0	0	0	125.1
1189	F	26.3	Very low	36.5	Very low	164 Å²	164	89.9 Å²	89.9	72%	0.719	44%	0.436	S	S	*	.			trans	88.4	141.8	161.2	-66.5	-69.4	0	0	0	123.2	Y1191	F1189-Y1191 HydrophobicContact CB-CE2 4.46Å
1190	A	26.8	Very low	37.4	Very low	35 Å²	35	90 Å²	90	29%	0.289	43%	0.432	S	S	.	.			trans	-85.4	118.1	-173.4	0	0	0	0	0	115.4	E974	E974-A1190 VanDerWaalsContact CD-CB 3.46Å; E974-A1190 VanDerWaalsContact CG-CA 3.42Å; E974-A1190 HydrophobicContact CG-CB 3.48Å; E974-A1190 VanDerWaalsContact CG-CB 3.48Å; E974-A1190 WeakPolarHBondContact OE1-CB 3.17Å; E974-A1190 PolarHBondContact OE1-N 3.4Å
1191	Y	34.3	Very low	38.2	Very low	165 Å²	165	86.7 Å²	86.7	65%	0.647	42%	0.421	S	S	*	.			trans	-144	126.8	166.5	-69.1	-72.7	0	0	0	111.4	F1189 K1193	F1189-Y1191 HydrophobicContact CB-CE2 4.46Å; Y1191-K1193 PolarHBondContact O-N 2.76Å
1192	M	41.7	Very low	39	Very low	60 Å²	60	85.3 Å²	85.3	30%	0.296	41%	0.411	S	S	.	.			trans	-78.3	115.6	167.6	-171	-176.7	-174.1	0	0	109.1	Y731 I971 E972 I990 L993	Y731-M1192 HydrophobicContact CD1-CB 4.17Å; Y731-M1192 HydrophobicContact CE1-CB 4.14Å; I971-M1192 HydrophobicContact CD1-CE 4.42Å; I971-M1192 HydrophobicContact CG2-CE 3.52Å; I971-M1192 HydrophobicContact CG2-CG 4.33Å; E972-M1192 CarbonylContact O-C 3.56Å; E972-M1192 VanDerWaalsContact O-CA 3.28Å; E972-M1192 WeakPolarHBondContact O-CA 3.35Å; I990-M1192 HydrophobicContact CG1-CE 3.91Å; L993-M1192 HydrophobicContact CD1-CE 3.58Å
1193	K	56.3	Low	39.1	Very low	30 Å²	30	86.9 Å²	86.9	13%	0.13	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	121.2	-168.3	-177.8	165.7	148.4	-74.2	0	113	Y931 E972 A1023 Y1191 V1195	Y931-K1193 HydrophobicContact CD2-CD 4.2Å; Y931-K1193 HydrophobicContact CD2-CG 3.75Å; Y931-K1193 HydrophobicContact CE2-CD 4.49Å; Y931-K1193 HydrophobicContact CE2-CG 4.17Å; Y931-K1193 HydrophobicContact CG-CD 4.25Å; Y931-K1193 HydrophobicContact CG-CG 4.18Å; E972-K1193 HydrophobicContact CB-CB 4.15Å; E972-K1193 WeakPolarHBondContact CB-O 3.49Å; E972-K1193 HydrophobicContact CG-CB 4.45Å; E972-K1193 PolarHBondContact N-O 3.43Å; E972-K1193 PolarHBondContact O-N 3.49Å; E972-K1193 IonicContact OE2-NZ 3.53Å; E972-K1193 PolarHBondContact OE2-NZ 3.02Å; A1023-K1193 HydrophobicContact CB-CD 4.49Å; A1023-K1193 VanDerWaalsContact CB-CE 3.46Å; Y1191-K1193 PolarHBondContact O-N 2.76Å; K1193-V1195 HydrophobicContact CG-CG2 4Å
1194	I	59.8	Low	39.6	Very low	12 Å²	12	90.4 Å²	90.4	6%	0.062	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	113.8	-179.4	-59.7	-179.6	0	0	0	108.4	L928 S930 Y931 F951 V969 S970 I971	L928-I1194 HydrophobicContact CB-CD1 4.27Å; L928-I1194 HydrophobicContact CD1-CD1 4.17Å; L928-I1194 HydrophobicContact CD2-CD1 4.47Å; S930-I1194 CarbonylContact C-O 3.47Å; Y931-I1194 PolarHBondContact N-O 3.22Å; F951-I1194 HydrophobicContact CE1-CG2 3.8Å; V969-I1194 HydrophobicContact CG1-CG2 3.52Å; S970-I1194 WeakPolarHBondContact O-CA 3.43Å; I971-I1194 HydrophobicContact CG1-CG1 4.49Å
1195	V	64.9	Low	40	Very low	25 Å²	25	90 Å²	90	15%	0.152	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	140.7	-176.5	-174.7	0	0	0	0	110.9	Y931 V969 S970 K1193	Y931-V1195 WeakPolarHBondContact O-CA 3.45Å; V969-V1195 CarbonylContact C-O 3.57Å; V969-V1195 VanDerWaalsContact CA-O 3.32Å; V969-V1195 WeakPolarHBondContact CA-O 3.24Å; S970-V1195 PolarHBondContact N-O 2.92Å; S970-V1195 PolarHBondContact O-N 3.44Å; K1193-V1195 HydrophobicContact CG-CG2 4Å
1196	I	65.5	Low	40.3	Very low	4 Å²	4	88.3 Å²	88.3	2%	0.021	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	130.5	-179.8	-66.7	160.4	0	0	0	110.6	Y931 L932 A952 L956 W967 T968	Y931-I1196 PolarHBondContact O-N 3Å; L932-I1196 HydrophobicContact CD2-CB 4.37Å; L932-I1196 HydrophobicContact CD2-CD1 3.96Å; A952-I1196 HydrophobicContact CB-CG1 4.36Å; A952-I1196 HydrophobicContact CB-CG2 4.11Å; L956-I1196 HydrophobicContact CD1-CG2 3.92Å; L956-I1196 HydrophobicContact CD2-CG2 4.4Å; L956-I1196 HydrophobicContact CG-CG2 4.14Å; W967-I1196 HydrophobicContact CB-CG2 4.32Å; W967-I1196 HydrophobicContact CD2-CG2 4.5Å; W967-I1196 HydrophobicContact CE3-CG2 3.85Å; T968-I1196 WeakPolarHBondContact O-CA 3.47Å
1197	A	57.3	Low	40.6	Very low	30 Å²	30	87.7 Å²	87.7	25%	0.248	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	148.7	-171.8	0	0	0	0	0	113	W967 T968	W967-A1197 CarbonylContact C-O 3.57Å; W967-A1197 WeakPolarHBondContact CA-O 3.49Å; T968-A1197 PolarHBondContact N-O 3.16Å; T968-A1197 PolarHBondContact O-N 3.47Å
1198	D	49.9	Very low	41.1	Very low	40 Å²	40	91 Å²	91	21%	0.214	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	122.5	-178.8	-179.2	5.5	0	0	0	111.1	W967 K1200 L1201	W967-D1198 HydrophobicContact CD2-CB 4.36Å; W967-D1198 HydrophobicContact CE3-CB 3.96Å; W967-D1198 HydrophobicContact CH2-CB 3.86Å; W967-D1198 HydrophobicContact CZ2-CB 4.28Å; W967-D1198 HydrophobicContact CZ3-CB 3.7Å; D1198-K1200 VanDerWaalsContact C-N 3.3Å; D1198-K1200 PolarHBondContact O-N 3.45Å; D1198-K1200 WeakPolarHBondContact OD1-CB 3.44Å; D1198-K1200 PolarHBondContact OD1-N 3.25Å; D1198-L1201 HydrophobicContact CB-CD1 4.29Å; D1198-L1201 PolarHBondContact O-N 3.27Å
1199	W	44	Very low	41.2	Very low	99 Å²	99	87.2 Å²	87.2	38%	0.375	42%	0.421	S	S	.	.	H	α-helix	trans	-66.9	-31.1	177.9	-167.8	-95.3	0	0	0	112.6	G966 T968 L1201 H1202 E1203	G966-W1199 WeakPolarHBondContact O-CB 3.38Å; G966-W1199 PolarHBondContact O-N 2.98Å; T968-W1199 HydrophobicContact CG2-CE3 3.99Å; T968-W1199 HydrophobicContact CG2-CZ3 4.43Å; W1199-L1201 PolarHBondContact O-N 3.42Å; W1199-L1201 VanDerWaalsContact O-N 3.12Å; W1199-H1202 PolarHBondContact O-N 2.82Å; W1199-E1203 PolarHBondContact O-N 3.35Å
1200	K	42	Very low	41.2	Very low	118 Å²	118	89.3 Å²	89.3	51%	0.513	43%	0.426	S	S	.	.	H	α-helix	trans	-68.2	-12.1	-178.9	-62.8	169.4	-178.5	161.1	0	113.4	D1198	D1198-K1200 VanDerWaalsContact C-N 3.3Å; D1198-K1200 PolarHBondContact O-N 3.45Å; D1198-K1200 WeakPolarHBondContact OD1-CB 3.44Å; D1198-K1200 PolarHBondContact OD1-N 3.25Å
1201	L	39.4	Very low	41.3	Very low	92 Å²	92	95.8 Å²	95.8	48%	0.482	46%	0.455	S	S	.	.	H	α-helix	trans	-85	-32	171.2	-95.2	159.1	0	0	0	112.6	D1198 W1199	D1198-L1201 HydrophobicContact CB-CD1 4.29Å; D1198-L1201 PolarHBondContact O-N 3.27Å; W1199-L1201 PolarHBondContact O-N 3.42Å; W1199-L1201 VanDerWaalsContact O-N 3.12Å
1202	H	35.9	Very low	40.8	Very low	63 Å²	63	101.6 Å²	101.6	29%	0.292	48%	0.478	S	S	.	.	H	α-helix	trans	-76.5	-39.8	178.1	-94.9	-82.7	0	0	0	113.1	W1199 R1204 M1205 D1206	W1199-H1202 PolarHBondContact O-N 2.82Å; H1202-R1204 PolarHBondContact O-N 3.11Å; H1202-M1205 PolarHBondContact O-N 2.88Å; H1202-D1206 PolarHBondContact O-N 3.34Å
1203	E	33.1	Very low	40.8	Very low	112 Å²	112	103.7 Å²	103.7	52%	0.523	49%	0.487	S	S	.	.	H	α-helix	trans	-61.6	-14.8	-179.9	-157.7	173.6	-125.7	0	0	113.2	W1199 N1207	W1199-E1203 PolarHBondContact O-N 3.35Å; E1203-N1207 PolarHBondContact O-ND2 3.13Å
1204	R	34	Very low	39.9	Very low	201 Å²	201	107.6 Å²	107.6	76%	0.758	51%	0.506	S	S	*	.	H	α-helix	trans	-85.9	-9.2	171.6	-77.1	-175.2	168.1	-177.9	-1.6	115.2	H1202	H1202-R1204 PolarHBondContact O-N 3.11Å
1205	M	31.3	Very low	38.8	Very low	118 Å²	118	112.9 Å²	112.9	58%	0.581	53%	0.531	S	S	*	.	H	α-helix	trans	-95.8	-38.3	173.1	-56.8	-162.1	75.9	0	0	110.9	H1202 N1207 H1208	H1202-M1205 PolarHBondContact O-N 2.88Å; M1205-N1207 PolarHBondContact O-N 3.32Å; M1205-H1208 PolarHBondContact O-N 3.22Å
1206	D	30.9	Very low	37.3	Very low	90 Å²	90	118.1 Å²	118.1	48%	0.481	55%	0.553	S	S	.	*	H	α-helix	trans	-65.7	-35.5	179.7	-61.3	-44.6	0	0	0	112.9	H1202 H1208 A1209	H1202-D1206 PolarHBondContact O-N 3.34Å; D1206-H1208 PolarHBondContact O-N 3.38Å; D1206-A1209 PolarHBondContact O-N 2.9Å
1207	N	30.8	Very low	35.5	Very low	126 Å²	126	125.2 Å²	125.2	67%	0.674	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	8.8	172.8	-77.8	-78.8	0	0	0	114.4	E1203 M1205	E1203-N1207 PolarHBondContact O-ND2 3.13Å; M1205-N1207 PolarHBondContact O-N 3.32Å
1208	H	33.3	Very low	34.1	Very low	181 Å²	181	131.5 Å²	131.5	84%	0.838	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.3	12.2	166.2	-77	-33.5	0	0	0	113.3	M1205 D1206	M1205-H1208 PolarHBondContact O-N 3.22Å; D1206-H1208 PolarHBondContact O-N 3.38Å
1209	A	28.3	Very low	33	Very low	66 Å²	66	138.1 Å²	138.1	55%	0.545	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.1	-26.1	177.9	0	0	0	0	0	114.1	D1206	D1206-A1209 PolarHBondContact O-N 2.9Å
1210	Y	26.2	Very low	32.1	Very low	208 Å²	208	141.1 Å²	141.1	82%	0.816	66%	0.658	S	S	*	*			trans	-129.2	87.8	177.8	-76.2	-87.7	0	0	0	111.8
1211	D	29.1	Very low	31.3	Very low	171 Å²	171	143 Å²	143	91%	0.914	67%	0.67	S	S	*	*			trans	-118.2	74.1	154.8	-157	-2.8	0	0	0	107.2
1212	Y	23.2	Very low	30.5	Very low	288 Å²	288	147.6 Å²	147.6	100%	1.129	69%	0.687	S	S	*	*			trans	-151.1	0	171.5	-141.9	-55.6	0	0	0	108.2

Retrieved 1,212 of 1,212 residues in 1921.9 ms (Link to these results)

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