A0A087X873_POEFO Loading...

Small G protein signaling modulator 2

AlphaFold DB , UniProt , Accession A0A087X873, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,024 aa.

						>A0A087X873_POEFO|A0A087X873
MSAAAIEACLSHLLKRRAAGFLRSDKIAALFTKVGKVYDTAGEICRKVQEQLQQQADLTRRAQSVGHEPLRRQGSSTTSRPPQPLSAQAIKHIWVRTALFEKVLDKIVQHIVDNSSKYYEREALMHDPVFGPILAALLVGPCALEYTKLKTSDHFWTDPSANELVQRHRIHGAHRSLDVSSGRRPALGIRKRQSSGSMSEDRFAASAREYVESLHQNSRTHLLYGKNNVLVQPKKDMEVLRGYLSLHQAGDNLTLKWTPNQLINGTLGDCDLEKSIYWDYALTVPLRQIVCIHCHQRPDCGGTLVLVSQDGIQRPPLHFPPGGHLLAFLSCLETGLLPRGQLEPPLWSQKGKGKVFPKLRKRSSAARLMEQDRNGEEQTAADYVFRIVYPGYRYDAITINYHHTTGSRAPSLDDDEEEEDRLHAMISMICSRNLTDPNVLKDHGEMMEMQGFGGSPSSWQQTEAATQEFLCQSCSTAGSNSSFDYTAGCTCLHQPLDIHIIPLKMLCQNMKRQIVSRAFYGWLAYCRHLSTVRTHLSAMVTHNIVPPDRPCEASGGLSKEVWSKYQKDCKNYKELELLRLVYYGGVQHEIRKEVWPFLLGHYKFGMSKKDMSQIDAKISERYQQVMREWKACEVIVKQREKEMQSAIFAKLSSGSSIDSHVLRLAHRDSTLSNEVFMSVDEPDAGSQETPSGEDSTPVMTTLAPPAAVPPEERPLVEFDSPDSGLPSSRNYSVTSAHSQILSSIDDGQSTEEEGGGREEGRIPVGGRQDSFTEDRLCSQLDKLVTSGAATEAISASLSSYTIELLDMVALNLHRIDKDVQRCDRNYYYFTTANLEKLRNIMCSYVWEHLEMGYVQGMCDLLAPLMVILDDESLAYSCFTQLMKRMSQNFPNGGAMDTHFANMRSLIQILDSELFELMQQNGDYTHFYFCYRWFLLDFKRELLYEDVFAVWEVIWVAPRISSRHFVLFLALALVTLYREIIIDNNMDFTDIIKFFNEMAERHDVQLILRMARELVHKVQSLMDNK
					

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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	50.9	Low	66.3	Low	108 Å²	108	41.8 Å²	41.8	53%	0.532	29%	0.286	S	S	.	.				0	142.8	0	-70.3	175.9	64.3	0	0	108.7	I6 L134 L138	M1-I6 HydrophobicContact CB-CD1 4.43Å; M1-I6 HydrophobicContact CB-CG1 4.23Å; M1-I6 HydrophobicContact CE-CG1 4.2Å; M1-L134 HydrophobicContact CE-CD1 3.64Å; M1-L134 HydrophobicContact SD-CD1 4.15Å; M1-L138 HydrophobicContact SD-CD2 4.46Å
2	S	57.4	Low	67.2	Low	77 Å²	77	41.5 Å²	41.5	54%	0.538	28%	0.276	S	S	.	.			trans	-74.8	150.9	175.2	63.5	0	0	0	0	110.8	A4 A5 I6	S2-A4 PolarHBondContact O-N 3.14Å; S2-A5 WeakPolarHBondContact O-CB 3.46Å; S2-A5 PolarHBondContact O-N 3.34Å; S2-A5 PolarHBondContact OG-N 3.12Å; S2-I6 PolarHBondContact O-N 3.22Å
3	A	61.9	Low	67.9	Low	24 Å²	24	44.4 Å²	44.4	20%	0.198	29%	0.287	C	S	.	.	H	α-helix	trans	-57.3	-34.1	178.7	0	0	0	0	0	112.7	A5 I6 E7 H92 V95	A3-A5 PolarHBondContact O-N 2.99Å; A3-I6 PolarHBondContact O-N 2.98Å; A3-E7 PolarHBondContact O-N 3.19Å; A3-E7 VanDerWaalsContact O-N 3.11Å; A3-H92 HydrophobicContact CB-CB 3.88Å; A3-V95 HydrophobicContact CB-CB 4.11Å; A3-V95 HydrophobicContact CB-CG1 3.97Å; A3-V95 HydrophobicContact CB-CG2 4.24Å
4	A	61.6	Low	68.8	Low	50 Å²	50	42.7 Å²	42.7	41%	0.413	27%	0.274	S	S	.	.	H	α-helix	trans	-65	-36	174.7	0	0	0	0	0	113.2	S2 A8	S2-A4 PolarHBondContact O-N 3.14Å; A4-A8 WeakPolarHBondContact O-CB 3.38Å; A4-A8 PolarHBondContact O-N 2.92Å
5	A	62.3	Low	69.6	Low	34 Å²	34	43.2 Å²	43.2	28%	0.281	27%	0.271	S	S	.	.	H	α-helix	trans	-69.3	-36.8	177	0	0	0	0	0	111.8	S2 A3 A8 C9	S2-A5 WeakPolarHBondContact O-CB 3.46Å; S2-A5 PolarHBondContact O-N 3.34Å; S2-A5 PolarHBondContact OG-N 3.12Å; A3-A5 PolarHBondContact O-N 2.99Å; A5-A8 PolarHBondContact O-N 2.74Å; A5-C9 PolarHBondContact O-N 3.32Å; A5-C9 VanDerWaalsContact O-N 3.08Å; A5-C9 PolarHBondContact O-SG 3.46Å
6	I	69.1	Low	69.6	Low	6 Å²	6	54.6 Å²	54.6	3%	0.031	31%	0.307	C	S	.	.	H	α-helix	trans	-65.8	-46.1	177	-61.3	171.6	0	0	0	110.2	M1 S2 A3 A8 C9 L10 W94 V95 L104 L138	M1-I6 HydrophobicContact CB-CD1 4.43Å; M1-I6 HydrophobicContact CB-CG1 4.23Å; M1-I6 HydrophobicContact CE-CG1 4.2Å; S2-I6 PolarHBondContact O-N 3.22Å; A3-I6 PolarHBondContact O-N 2.98Å; I6-A8 VanDerWaalsContact C-N 3.34Å; I6-A8 PolarHBondContact O-N 3.29Å; I6-C9 PolarHBondContact O-N 3.3Å; I6-L10 HydrophobicContact CG2-CD1 4.06Å; I6-L10 WeakPolarHBondContact O-CG 3.36Å; I6-L10 PolarHBondContact O-N 3.44Å; I6-W94 HydrophobicContact CG2-CH2 4.44Å; I6-V95 HydrophobicContact CD1-CG1 4.21Å; I6-L104 HydrophobicContact CD1-CD2 4.13Å; I6-L138 HydrophobicContact CD1-CD2 3.67Å; I6-L138 HydrophobicContact CG1-CD2 4.13Å
7	E	72.3	Confident	69.5	Low	23 Å²	23	64.5 Å²	64.5	11%	0.107	34%	0.338	C	S	.	.	H	α-helix	trans	-63.4	-37.1	175.4	-82.2	179.8	-165.2	0	0	113.5	A3 L10 S11 I27 H92 W94 V95	A3-E7 PolarHBondContact O-N 3.19Å; A3-E7 VanDerWaalsContact O-N 3.11Å; E7-L10 PolarHBondContact O-N 2.96Å; E7-S11 VanDerWaalsContact O-CB 3.29Å; E7-S11 WeakPolarHBondContact O-CB 3.42Å; E7-S11 PolarHBondContact O-N 3.18Å; E7-S11 PolarHBondContact O-OG 3.04Å; E7-I27 HydrophobicContact CG-CG1 4.35Å; E7-H92 IonicContact OE1-CE1 3.72Å; E7-H92 IonicContact OE1-CG 2.79Å; E7-H92 IonicContact OE1-ND1 2.69Å; E7-H92 PolarHBondContact OE1-ND1 2.9Å; E7-H92 IonicContact OE2-CE1 3.03Å; E7-H92 PolarHBondContact OE2-CE1 2.92Å; E7-H92 IonicContact OE2-ND1 3.26Å; E7-H92 PolarHBondContact OE2-ND1 3.15Å; E7-W94 HydrophobicContact CG-CZ2 3.68Å; E7-W94 PolarHBondContact OE1-NE1 2.79Å; E7-V95 HydrophobicContact CG-CG2 4.36Å
8	A	71.2	Confident	69.2	Low	64 Å²	64	61.2 Å²	61.2	53%	0.529	32%	0.321	S	S	.	.	H	α-helix	trans	-64	-41.3	175.9	0	0	0	0	0	111.6	A4 A5 I6 S11 H12	A4-A8 WeakPolarHBondContact O-CB 3.38Å; A4-A8 PolarHBondContact O-N 2.92Å; A5-A8 PolarHBondContact O-N 2.74Å; I6-A8 VanDerWaalsContact C-N 3.34Å; I6-A8 PolarHBondContact O-N 3.29Å; A8-S11 PolarHBondContact O-N 3.3Å; A8-H12 PolarHBondContact O-N 2.87Å
9	C	71.3	Confident	68.8	Low	28 Å²	28	58.4 Å²	58.4	19%	0.189	31%	0.308	C	S	.	.	H	α-helix	trans	-64.3	-44.3	175.2	-65.2	0	0	0	0	111.7	A5 I6 S11 H12 L124 L134	A5-C9 PolarHBondContact O-N 3.32Å; A5-C9 VanDerWaalsContact O-N 3.08Å; A5-C9 PolarHBondContact O-SG 3.46Å; I6-C9 PolarHBondContact O-N 3.3Å; C9-S11 VanDerWaalsContact C-N 3.3Å; C9-S11 PolarHBondContact O-N 3.05Å; C9-H12 WeakPolarHBondContact O-CB 3.27Å; C9-H12 PolarHBondContact O-N 2.87Å; C9-L124 HydrophobicContact CB-CD2 3.83Å; C9-L134 HydrophobicContact CB-CD2 3.64Å
10	L	76.6	Confident	68.3	Low	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-71.8	-21.6	179.4	-69.2	172.4	0	0	0	113.6	I6 E7 I27 F31 W94 I111 Y119 M125	I6-L10 HydrophobicContact CG2-CD1 4.06Å; I6-L10 WeakPolarHBondContact O-CG 3.36Å; I6-L10 PolarHBondContact O-N 3.44Å; E7-L10 PolarHBondContact O-N 2.96Å; L10-I27 HydrophobicContact CB-CD1 3.69Å; L10-F31 HydrophobicContact CD1-CE2 4.25Å; L10-W94 HydrophobicContact CD1-CH2 3.53Å; L10-W94 HydrophobicContact CD1-CZ2 4.03Å; L10-I111 HydrophobicContact CD2-CD1 4.28Å; L10-I111 HydrophobicContact CD2-CG2 4.39Å; L10-Y119 WeakPolarHBondContact O-CE1 3.3Å; L10-Y119 PolarHBondContact O-OH 2.88Å; L10-M125 HydrophobicContact CD2-CE 3.76Å; L10-M125 HydrophobicContact CD2-CG 4.43Å; L10-M125 HydrophobicContact CD2-SD 4.03Å
11	S	74.2	Confident	67.5	Low	46 Å²	46	64.3 Å²	64.3	32%	0.322	34%	0.34	S	S	.	.	H	α-helix	trans	-87	-11.9	176.8	-61.1	0	0	0	0	113.3	E7 A8 C9 L13 I27	E7-S11 VanDerWaalsContact O-CB 3.29Å; E7-S11 WeakPolarHBondContact O-CB 3.42Å; E7-S11 PolarHBondContact O-N 3.18Å; E7-S11 PolarHBondContact O-OG 3.04Å; A8-S11 PolarHBondContact O-N 3.3Å; C9-S11 VanDerWaalsContact C-N 3.3Å; C9-S11 PolarHBondContact O-N 3.05Å; S11-L13 PolarHBondContact O-N 3.08Å; S11-I27 VanDerWaalsContact OG-CD1 3.26Å; S11-I27 WeakPolarHBondContact OG-CD1 3.48Å; S11-I27 WeakPolarHBondContact OG-CG1 3.34Å
12	H	77.1	Confident	67.3	Low	38 Å²	38	67 Å²	67	18%	0.176	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	113.9	-173	-177.5	-85	0	0	0	111.8	A8 C9 L14 Y119 L124 H499	A8-H12 PolarHBondContact O-N 2.87Å; C9-H12 WeakPolarHBondContact O-CB 3.27Å; C9-H12 PolarHBondContact O-N 2.87Å; H12-L14 PolarHBondContact O-N 3.21Å; H12-Y119 WeakPolarHBondContact O-CD1 3.27Å; H12-L124 PolarHBondContact ND1-N 2.85Å; H12-H499 AromaticContact CD2-CE1 3.68Å; H12-H499 AromaticContact CD2-ND1 3.68Å; H12-H499 AromaticContact NE2-CE1 3.14Å; H12-H499 PolarHBondContact NE2-CE1 3.11Å; H12-H499 AromaticContact NE2-CG 3.59Å; H12-H499 AromaticContact NE2-ND1 2.92Å; H12-H499 PolarHBondContact NE2-ND1 3.46Å; H12-H499 AromaticContact NE2-NE2 3.89Å
13	L	77.3	Confident	67.1	Low	79 Å²	79	70.1 Å²	70.1	41%	0.414	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	39.3	179.4	-61.8	176.9	0	0	0	113.9	S11 E120 E122 A123	S11-L13 PolarHBondContact O-N 3.08Å; L13-E120 HydrophobicContact CB-CB 4.43Å; L13-E120 PolarHBondContact O-N 3.02Å; L13-E120 VanDerWaalsContact O-N 3.11Å; L13-E122 HydrophobicContact CD1-CB 3.93Å; L13-E122 WeakPolarHBondContact CD1-O 3.4Å; L13-A123 HydrophobicContact CB-CB 3.8Å
14	L	79.8	Confident	66.9	Low	21 Å²	21	75.4 Å²	75.4	11%	0.11	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-67.8	131.1	173.3	-174.9	70	0	0	0	110.8	H12 R16 A18 A19 L30 Y118 Y119	H12-L14 PolarHBondContact O-N 3.21Å; L14-R16 PolarHBondContact O-N 3.24Å; L14-A18 HydrophobicContact CD1-CB 3.98Å; L14-A18 HydrophobicContact CG-CB 4.2Å; L14-A19 HydrophobicContact CD2-CB 3.9Å; L14-A19 HydrophobicContact CG-CB 4.48Å; L14-L30 HydrophobicContact CD1-CD1 3.88Å; L14-L30 HydrophobicContact CD1-CD2 4.05Å; L14-L30 HydrophobicContact CD1-CG 4.43Å; L14-L30 HydrophobicContact CD2-CB 4.09Å; L14-L30 HydrophobicContact CD2-CD2 4.36Å; L14-Y118 VanDerWaalsContact CD1-O 3.24Å; L14-Y118 WeakPolarHBondContact CD1-O 3.5Å; L14-Y119 HydrophobicContact CB-CD1 4.3Å; L14-Y119 HydrophobicContact CB-CE1 4.08Å; L14-Y119 HydrophobicContact CD1-CD1 3.9Å; L14-Y119 HydrophobicContact CD1-CD2 4.39Å; L14-Y119 HydrophobicContact CD1-CE1 3.55Å; L14-Y119 HydrophobicContact CD1-CE2 4.04Å; L14-Y119 HydrophobicContact CD1-CG 4.31Å; L14-Y119 HydrophobicContact CG-CE1 4.43Å
15	K	80.8	Confident	67.3	Low	50 Å²	50	76.5 Å²	76.5	22%	0.217	39%	0.39	C	S	.	.			trans	-57.6	138.4	-180	-77.1	170.7	166.5	150	0	110.8	R17 A18 A19 S116 Y118 Y119 E120	K15-R17 PolarHBondContact O-N 3.49Å; K15-R17 VanDerWaalsContact O-N 3.1Å; K15-A18 HydrophobicContact CB-CB 4.32Å; K15-A18 WeakPolarHBondContact O-CA 3.42Å; K15-A18 WeakPolarHBondContact O-CB 3.35Å; K15-A18 PolarHBondContact O-N 2.91Å; K15-A19 PolarHBondContact O-N 3.3Å; K15-A19 VanDerWaalsContact O-N 3.08Å; K15-S116 PolarHBondContact NZ-O 3.45Å; K15-Y118 VanDerWaalsContact CB-O 3.26Å; K15-Y118 WeakPolarHBondContact CB-O 3.17Å; K15-Y118 PolarHBondContact N-O 3.42Å; K15-Y119 WeakPolarHBondContact CD-O 3.09Å; K15-Y119 WeakPolarHBondContact CE-O 3.37Å; K15-Y119 PolarHBondContact NZ-O 2.62Å; K15-E120 WeakPolarHBondContact CE-OE2 3.3Å; K15-E120 HydrophobicContact CG-CG 4.11Å; K15-E120 WeakPolarHBondContact CG-OE1 3.41Å
16	R	69.8	Low	67.9	Low	226 Å²	226	81.1 Å²	81.1	85%	0.853	40%	0.404	S	S	*	.	H	α-helix	trans	-53.8	-34.4	175.6	-73.3	-178.6	169.7	179	-3.3	113	L14 A18 G20	L14-R16 PolarHBondContact O-N 3.24Å; R16-A18 VanDerWaalsContact C-N 3.31Å; R16-A18 PolarHBondContact O-N 3.5Å; R16-G20 PolarHBondContact O-N 2.87Å
17	R	67.6	Low	68.1	Low	223 Å²	223	81.1 Å²	81.1	84%	0.842	40%	0.404	S	S	*	.	H	α-helix	trans	-73	-16.1	175.8	-73	-172	-79.3	-179.3	-5.8	114.4	K15 K33	K15-R17 PolarHBondContact O-N 3.49Å; K15-R17 VanDerWaalsContact O-N 3.1Å; R17-K33 PolarHBondContact O-NZ 2.74Å
18	A	64.1	Low	68.1	Low	4 Å²	4	81.9 Å²	81.9	3%	0.033	41%	0.414	C	S	.	.	H	α-helix	trans	-95.3	-32.7	175.8	0	0	0	0	0	112	L14 K15 R16 G20 Y118	L14-A18 HydrophobicContact CD1-CB 3.98Å; L14-A18 HydrophobicContact CG-CB 4.2Å; K15-A18 HydrophobicContact CB-CB 4.32Å; K15-A18 WeakPolarHBondContact O-CA 3.42Å; K15-A18 WeakPolarHBondContact O-CB 3.35Å; K15-A18 PolarHBondContact O-N 2.91Å; R16-A18 VanDerWaalsContact C-N 3.31Å; R16-A18 PolarHBondContact O-N 3.5Å; A18-G20 VanDerWaalsContact C-N 3.3Å; A18-G20 PolarHBondContact O-N 3.27Å; A18-Y118 HydrophobicContact CB-CD1 4.26Å
19	A	61.3	Low	68.4	Low	9 Å²	9	79.2 Å²	79.2	7%	0.074	39%	0.392	C	S	.	.	H	α-helix	trans	-75.8	-10.6	177	0	0	0	0	0	114.9	L14 K15 K26 A29	L14-A19 HydrophobicContact CD2-CB 3.9Å; L14-A19 HydrophobicContact CG-CB 4.48Å; K15-A19 PolarHBondContact O-N 3.3Å; K15-A19 VanDerWaalsContact O-N 3.08Å; A19-K26 HydrophobicContact CB-CB 4.18Å; A19-K26 HydrophobicContact CB-CG 4.14Å; A19-A29 VanDerWaalsContact C-CB 3.44Å; A19-A29 WeakPolarHBondContact O-CB 3.44Å
20	G	59.5	Low	68.9	Low	38 Å²	38	77.9 Å²	77.9	39%	0.392	38%	0.383	S	S	.	.			trans	75.5	143.3	-176.3	0	0	0	0	0	112.8	R16 A18 L22	R16-G20 PolarHBondContact O-N 2.87Å; A18-G20 VanDerWaalsContact C-N 3.3Å; A18-G20 PolarHBondContact O-N 3.27Å; G20-L22 VanDerWaalsContact C-N 3.29Å; G20-L22 PolarHBondContact O-N 3.4Å
21	F	51.4	Low	69	Low	202 Å²	202	78.2 Å²	78.2	89%	0.886	38%	0.384	S	S	*	.	S	Bend	trans	-77.5	-14.1	-174.4	-155.3	-99.6	0	0	0	113.4
22	L	47.7	Very low	69.1	Low	165 Å²	165	78.5 Å²	78.5	86%	0.864	38%	0.384	S	S	*	.	S	Bend	trans	-140	10.7	-165.7	-65.6	172.2	0	0	0	115.6	G20	G20-L22 VanDerWaalsContact C-N 3.29Å; G20-L22 PolarHBondContact O-N 3.4Å
23	R	53.2	Low	69.4	Low	143 Å²	143	80.7 Å²	80.7	54%	0.54	39%	0.393	S	S	.	.			trans	-104.9	130.3	177.1	-69.1	-170.7	178.3	178.8	-1.2	110.3	D25 T32	R23-D25 PolarHBondContact O-N 2.88Å; R23-T32 PolarHBondContact NH1-OG1 2.73Å
24	S	57.2	Low	69.7	Low	135 Å²	135	77 Å²	77	94%	0.944	37%	0.374	S	S	*	.	S	Bend	trans	-64.7	-21.2	175.9	47.3	0	0	0	0	112.8
25	D	69.9	Low	69.8	Low	72 Å²	72	76.7 Å²	76.7	39%	0.385	38%	0.376	S	S	.	.			trans	-108.6	103.3	178.3	-169.6	-21.5	0	0	0	111.6	R23 I27 A28 A29	R23-D25 PolarHBondContact O-N 2.88Å; D25-I27 VanDerWaalsContact C-N 3.3Å; D25-I27 PolarHBondContact O-N 3.04Å; D25-I27 PolarHBondContact OD1-N 3.21Å; D25-A28 HydrophobicContact CB-CB 3.88Å; D25-A28 PolarHBondContact OD1-N 3.08Å; D25-A28 VanDerWaalsContact OD1-N 3.09Å; D25-A29 PolarHBondContact O-N 3.07Å
26	K	73.8	Confident	69.9	Low	132 Å²	132	82.5 Å²	82.5	57%	0.574	40%	0.401	S	S	*	.	H	α-helix	trans	-66.1	-30.8	-179.3	-63.1	-177	-179.9	175.1	0	112.6	A19 L30	A19-K26 HydrophobicContact CB-CB 4.18Å; A19-K26 HydrophobicContact CB-CG 4.14Å; K26-L30 PolarHBondContact O-N 3.04Å
27	I	74.8	Confident	70.6	Confident	6 Å²	6	76.4 Å²	76.4	3%	0.031	39%	0.389	C	S	.	.	H	α-helix	trans	-75.9	-44.5	-179.5	-70.8	-64.3	0	0	0	110	E7 L10 S11 D25 A29 L30 F31 W94	E7-I27 HydrophobicContact CG-CG1 4.35Å; L10-I27 HydrophobicContact CB-CD1 3.69Å; S11-I27 VanDerWaalsContact OG-CD1 3.26Å; S11-I27 WeakPolarHBondContact OG-CD1 3.48Å; S11-I27 WeakPolarHBondContact OG-CG1 3.34Å; D25-I27 VanDerWaalsContact C-N 3.3Å; D25-I27 PolarHBondContact O-N 3.04Å; D25-I27 PolarHBondContact OD1-N 3.21Å; I27-A29 PolarHBondContact O-N 3.43Å; I27-L30 WeakPolarHBondContact O-CB 3.37Å; I27-L30 PolarHBondContact O-N 3.39Å; I27-L30 VanDerWaalsContact O-N 3.17Å; I27-F31 HydrophobicContact CG2-CD2 3.91Å; I27-F31 HydrophobicContact CG2-CE2 4.22Å; I27-F31 PolarHBondContact O-N 2.65Å; I27-W94 HydrophobicContact CG2-CD2 4.48Å; I27-W94 HydrophobicContact CG2-CZ2 3.76Å
28	A	72.3	Confident	71.7	Confident	38 Å²	38	68.2 Å²	68.2	31%	0.314	36%	0.358	S	S	.	.	H	α-helix	trans	-58.2	-36.9	175.2	0	0	0	0	0	112.3	D25 T32	D25-A28 HydrophobicContact CB-CB 3.88Å; D25-A28 PolarHBondContact OD1-N 3.08Å; D25-A28 VanDerWaalsContact OD1-N 3.09Å; A28-T32 WeakPolarHBondContact O-CB 3.28Å; A28-T32 PolarHBondContact O-N 3.28Å; A28-T32 PolarHBondContact O-OG1 2.89Å
29	A	77.3	Confident	72.8	Confident	9 Å²	9	74.7 Å²	74.7	7%	0.074	39%	0.392	C	S	.	.	H	α-helix	trans	-68.1	-43.1	175.9	0	0	0	0	0	113.2	A19 D25 I27 T32 K33	A19-A29 VanDerWaalsContact C-CB 3.44Å; A19-A29 WeakPolarHBondContact O-CB 3.44Å; D25-A29 PolarHBondContact O-N 3.07Å; I27-A29 PolarHBondContact O-N 3.43Å; A29-T32 PolarHBondContact O-N 3.35Å; A29-K33 PolarHBondContact O-N 2.82Å; A29-K33 VanDerWaalsContact O-N 3.14Å
30	L	81.8	Confident	73.9	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-58.8	-50.4	173.2	175.2	61.9	0	0	0	110.9	L14 K26 I27 T32 K33 V34 Y118 Y119	L14-L30 HydrophobicContact CD1-CD1 3.88Å; L14-L30 HydrophobicContact CD1-CD2 4.05Å; L14-L30 HydrophobicContact CD1-CG 4.43Å; L14-L30 HydrophobicContact CD2-CB 4.09Å; L14-L30 HydrophobicContact CD2-CD2 4.36Å; K26-L30 PolarHBondContact O-N 3.04Å; I27-L30 WeakPolarHBondContact O-CB 3.37Å; I27-L30 PolarHBondContact O-N 3.39Å; I27-L30 VanDerWaalsContact O-N 3.17Å; L30-T32 PolarHBondContact O-N 3.09Å; L30-K33 WeakPolarHBondContact O-CA 3.42Å; L30-K33 WeakPolarHBondContact O-CB 3.23Å; L30-K33 PolarHBondContact O-N 3.45Å; L30-V34 HydrophobicContact CD1-CG2 4Å; L30-V34 HydrophobicContact CG-CG2 4.35Å; L30-V34 WeakPolarHBondContact O-CG2 3.46Å; L30-V34 PolarHBondContact O-N 3.16Å; L30-Y118 HydrophobicContact CD1-CD1 4Å; L30-Y118 HydrophobicContact CD1-CG 4.03Å; L30-Y119 WeakPolarHBondContact CD2-OH 3.26Å
31	F	78	Confident	75.1	Confident	7 Å²	7	74.3 Å²	74.3	3%	0.031	38%	0.382	C	S	.	.	H	α-helix	trans	-62.7	-40.4	-179.6	-94.8	-98.4	0	0	0	112.7	L10 I27 K33 V34 G35 W94 I107 I111	L10-F31 HydrophobicContact CD1-CE2 4.25Å; I27-F31 HydrophobicContact CG2-CD2 3.91Å; I27-F31 HydrophobicContact CG2-CE2 4.22Å; I27-F31 PolarHBondContact O-N 2.65Å; F31-K33 PolarHBondContact O-N 3.33Å; F31-V34 PolarHBondContact O-N 3.13Å; F31-G35 PolarHBondContact O-N 3.14Å; F31-W94 HydrophobicContact CD1-CE3 4.31Å; F31-W94 HydrophobicContact CE1-CD2 4.43Å; F31-W94 AromaticContact CE1-CE3 3.59Å; F31-W94 HydrophobicContact CE1-CE3 3.59Å; F31-W94 HydrophobicContact CE1-CH2 4.48Å; F31-W94 AromaticContact CE1-CZ3 3.66Å; F31-W94 HydrophobicContact CE1-CZ3 3.66Å; F31-W94 HydrophobicContact CE2-CD2 4.25Å; F31-W94 AromaticContact CE2-CE3 3.88Å; F31-W94 HydrophobicContact CE2-CE3 3.88Å; F31-W94 AromaticContact CE2-CH2 3.55Å; F31-W94 HydrophobicContact CE2-CH2 3.55Å; F31-W94 AromaticContact CE2-CZ2 3.92Å; F31-W94 HydrophobicContact CE2-CZ2 3.92Å; F31-W94 AromaticContact CE2-CZ3 3.56Å; F31-W94 HydrophobicContact CE2-CZ3 3.56Å; F31-W94 HydrophobicContact CZ-CD2 4.19Å; F31-W94 AromaticContact CZ-CE3 3.38Å; F31-W94 HydrophobicContact CZ-CE3 3.38Å; F31-W94 AromaticContact CZ-CH2 3.48Å; F31-W94 HydrophobicContact CZ-CH2 3.48Å; F31-W94 VanDerWaalsContact CZ-CH2 3.48Å; F31-W94 HydrophobicContact CZ-CZ2 4.24Å; F31-W94 AromaticContact CZ-CZ3 3.01Å; F31-W94 HydrophobicContact CZ-CZ3 3.01Å; F31-I107 HydrophobicContact CE1-CG2 3.64Å; F31-I107 HydrophobicContact CZ-CG2 3.79Å; F31-I111 HydrophobicContact CZ-CD1 4.48Å
32	T	77.3	Confident	76.7	Confident	52 Å²	52	65.8 Å²	65.8	32%	0.319	35%	0.351	S	S	.	.	H	α-helix	trans	-61.1	-32.7	173.4	-55.4	0	0	0	0	111.7	R23 A28 A29 L30 K36	R23-T32 PolarHBondContact NH1-OG1 2.73Å; A28-T32 WeakPolarHBondContact O-CB 3.28Å; A28-T32 PolarHBondContact O-N 3.28Å; A28-T32 PolarHBondContact O-OG1 2.89Å; A29-T32 PolarHBondContact O-N 3.35Å; L30-T32 PolarHBondContact O-N 3.09Å; T32-K36 WeakPolarHBondContact O-CG 3.43Å
33	K	81.7	Confident	78.5	Confident	84 Å²	84	62.2 Å²	62.2	37%	0.365	33%	0.33	S	S	.	.	H	α-helix	trans	-80.5	-39.2	-179.3	-164	176.1	-173.9	179.2	0	112.2	R17 A29 L30 F31 Y118	R17-K33 PolarHBondContact O-NZ 2.74Å; A29-K33 PolarHBondContact O-N 2.82Å; A29-K33 VanDerWaalsContact O-N 3.14Å; L30-K33 WeakPolarHBondContact O-CA 3.42Å; L30-K33 WeakPolarHBondContact O-CB 3.23Å; L30-K33 PolarHBondContact O-N 3.45Å; F31-K33 PolarHBondContact O-N 3.33Å; K33-Y118 HydrophobicContact CD-CD1 4.37Å; K33-Y118 HydrophobicContact CD-CE1 4.15Å; K33-Y118 HydrophobicContact CG-CE1 4.2Å
34	V	84.3	Confident	80	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-67.6	-42.9	173.9	175.4	0	0	0	0	110.1	L30 F31 K36 V37 Y38 A41 I111 Y118	L30-V34 HydrophobicContact CD1-CG2 4Å; L30-V34 HydrophobicContact CG-CG2 4.35Å; L30-V34 WeakPolarHBondContact O-CG2 3.46Å; L30-V34 PolarHBondContact O-N 3.16Å; F31-V34 PolarHBondContact O-N 3.13Å; V34-K36 PolarHBondContact O-N 3.21Å; V34-K36 VanDerWaalsContact O-N 3.08Å; V34-V37 PolarHBondContact O-N 3.48Å; V34-Y38 PolarHBondContact O-N 3.1Å; V34-A41 HydrophobicContact CG1-CB 3.88Å; V34-I111 HydrophobicContact CG1-CG1 4.36Å; V34-I111 HydrophobicContact CG2-CG1 4.13Å; V34-Y118 HydrophobicContact CG2-CE1 4.27Å; V34-Y118 HydrophobicContact CG2-CE2 4.25Å
35	G	82.6	Confident	81.2	Confident	15 Å²	15	51 Å²	51	16%	0.155	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-9.6	179.4	0	0	0	0	0	115.9	F31 G42	F31-G35 PolarHBondContact O-N 3.14Å; G35-G42 WeakPolarHBondContact O-CA 3.02Å
36	K	83.3	Confident	81.9	Confident	172 Å²	172	54 Å²	54	75%	0.748	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-17.3	169.6	-74.7	179	180	-168.7	0	113.6	T32 V34	T32-K36 WeakPolarHBondContact O-CG 3.43Å; V34-K36 PolarHBondContact O-N 3.21Å; V34-K36 VanDerWaalsContact O-N 3.08Å
37	V	84.6	Confident	82.4	Confident	98 Å²	98	50.3 Å²	50.3	59%	0.594	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.5	-17.6	-172.5	-164.9	0	0	0	0	111	V34	V34-V37 PolarHBondContact O-N 3.48Å
38	Y	89.3	Confident	82.8	Confident	51 Å²	51	50.8 Å²	50.8	20%	0.2	27%	0.265	C	S	.	.			trans	-130.9	108.5	177.6	-175	-127.2	0	0	0	110.4	V34 T40 A41 G42 I107 H110	V34-Y38 PolarHBondContact O-N 3.1Å; Y38-T40 VanDerWaalsContact C-N 3.29Å; Y38-T40 HydrophobicContact CE1-CG2 4.32Å; Y38-T40 PolarHBondContact O-N 3.29Å; Y38-A41 HydrophobicContact CD1-CB 3.81Å; Y38-A41 PolarHBondContact O-N 2.81Å; Y38-G42 PolarHBondContact O-N 2.75Å; Y38-G42 VanDerWaalsContact O-N 3.08Å; Y38-I107 HydrophobicContact CE1-CG1 4.06Å; Y38-H110 HydrophobicContact CD1-CB 4.18Å; Y38-H110 AromaticContact CD2-ND1 3.79Å; Y38-H110 HydrophobicContact CE1-CB 4.16Å; Y38-H110 AromaticContact CG-CG 3.9Å; Y38-H110 AromaticContact CG-ND1 3.9Å
39	D	86.6	Confident	83.3	Confident	140 Å²	140	54.8 Å²	54.8	75%	0.749	28%	0.278	S	S	*	.	H	α-helix	trans	-58.8	-38.3	-170.3	-63.9	-35.4	0	0	0	112.9	A41 G42 E43	D39-A41 VanDerWaalsContact C-N 3.33Å; D39-A41 PolarHBondContact O-N 3.39Å; D39-G42 CarbonylContact O-C 3.56Å; D39-G42 WeakPolarHBondContact O-CA 3.3Å; D39-G42 PolarHBondContact O-N 3.07Å; D39-E43 PolarHBondContact O-N 2.8Å
40	T	84.7	Confident	83.5	Confident	40 Å²	40	59.1 Å²	59.1	25%	0.245	30%	0.296	C	S	.	.	H	α-helix	trans	-62.3	-38.4	177.9	-48.8	0	0	0	0	112.3	Y38 I44 V103	Y38-T40 VanDerWaalsContact C-N 3.29Å; Y38-T40 HydrophobicContact CE1-CG2 4.32Å; Y38-T40 PolarHBondContact O-N 3.29Å; T40-I44 WeakPolarHBondContact O-CG1 3.4Å; T40-I44 PolarHBondContact O-N 3.29Å; T40-V103 HydrophobicContact CG2-CB 3.64Å; T40-V103 HydrophobicContact CG2-CG1 3.55Å; T40-V103 HydrophobicContact CG2-CG2 4.06Å
41	A	84.6	Confident	83.3	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-71.7	-34.9	173.2	0	0	0	0	0	111.6	V34 Y38 D39 I44 C45 I107	V34-A41 HydrophobicContact CG1-CB 3.88Å; Y38-A41 HydrophobicContact CD1-CB 3.81Å; Y38-A41 PolarHBondContact O-N 2.81Å; D39-A41 VanDerWaalsContact C-N 3.33Å; D39-A41 PolarHBondContact O-N 3.39Å; A41-I44 PolarHBondContact O-N 3.29Å; A41-C45 PolarHBondContact O-N 3.19Å; A41-C45 PolarHBondContact O-SG 2.89Å; A41-I107 HydrophobicContact CB-CD1 4.5Å; A41-I107 HydrophobicContact CB-CG1 4.28Å; A41-I107 HydrophobicContact CB-CG2 4.34Å
42	G	84.9	Confident	83.4	Confident	23 Å²	23	65.2 Å²	65.2	24%	0.237	33%	0.326	C	S	.	.	H	α-helix	trans	-63.6	-40.4	176.4	0	0	0	0	0	113	G35 Y38 D39 C45 R46	G35-G42 WeakPolarHBondContact O-CA 3.02Å; Y38-G42 PolarHBondContact O-N 2.75Å; Y38-G42 VanDerWaalsContact O-N 3.08Å; D39-G42 CarbonylContact O-C 3.56Å; D39-G42 WeakPolarHBondContact O-CA 3.3Å; D39-G42 PolarHBondContact O-N 3.07Å; G42-C45 WeakPolarHBondContact O-CB 3.46Å; G42-C45 PolarHBondContact O-N 3.2Å; G42-R46 PolarHBondContact O-N 2.91Å
43	E	85.6	Confident	83.5	Confident	89 Å²	89	67.3 Å²	67.3	42%	0.416	33%	0.332	S	S	.	.	H	α-helix	trans	-65.2	-42.6	176.6	-179.1	159.4	-148.8	0	0	112.4	D39 C45 R46 K47	D39-E43 PolarHBondContact O-N 2.8Å; E43-C45 VanDerWaalsContact C-N 3.34Å; E43-C45 PolarHBondContact O-N 3.35Å; E43-R46 PolarHBondContact O-N 3.08Å; E43-R46 IonicContact OE1-NH2 3.86Å; E43-R46 PolarHBondContact OE1-NH2 3.08Å; E43-K47 WeakPolarHBondContact O-CG 3.1Å; E43-K47 PolarHBondContact O-N 2.92Å
44	I	85.8	Confident	83.2	Confident	4 Å²	4	69 Å²	69	2%	0.021	34%	0.342	C	S	.	.	H	α-helix	trans	-62.3	-41.5	173.4	-64.2	-60.6	0	0	0	111.1	T40 A41 R46 K47 V48 T97 A98 E101 V103 I107	T40-I44 WeakPolarHBondContact O-CG1 3.4Å; T40-I44 PolarHBondContact O-N 3.29Å; A41-I44 PolarHBondContact O-N 3.29Å; I44-R46 VanDerWaalsContact C-N 3.32Å; I44-R46 PolarHBondContact O-N 3.42Å; I44-K47 PolarHBondContact O-N 3Å; I44-V48 HydrophobicContact CG2-CG2 4.17Å; I44-V48 WeakPolarHBondContact O-CB 3.36Å; I44-V48 VanDerWaalsContact O-CG2 3.24Å; I44-V48 WeakPolarHBondContact O-CG2 3.36Å; I44-V48 PolarHBondContact O-N 3.01Å; I44-T97 HydrophobicContact CD1-CG2 4.24Å; I44-T97 HydrophobicContact CG2-CG2 4.4Å; I44-A98 HydrophobicContact CG2-CB 4.31Å; I44-E101 HydrophobicContact CD1-CB 3.72Å; I44-E101 HydrophobicContact CD1-CG 3.63Å; I44-V103 HydrophobicContact CD1-CG2 3.76Å; I44-V103 HydrophobicContact CG1-CG2 3.79Å; I44-I107 HydrophobicContact CG1-CD1 3.99Å
45	C	82.8	Confident	82.6	Confident	38 Å²	38	70 Å²	70	26%	0.257	35%	0.347	S	S	.	.	H	α-helix	trans	-59.9	-41	175.9	-72.6	0	0	0	0	112.6	A41 G42 E43 Q49	A41-C45 PolarHBondContact O-N 3.19Å; A41-C45 PolarHBondContact O-SG 2.89Å; G42-C45 WeakPolarHBondContact O-CB 3.46Å; G42-C45 PolarHBondContact O-N 3.2Å; E43-C45 VanDerWaalsContact C-N 3.34Å; E43-C45 PolarHBondContact O-N 3.35Å; C45-Q49 WeakPolarHBondContact O-CB 3.3Å; C45-Q49 PolarHBondContact O-N 2.97Å
46	R	84.4	Confident	82.1	Confident	137 Å²	137	71.3 Å²	71.3	52%	0.517	36%	0.356	S	S	.	.	H	α-helix	trans	-64.4	-48.6	176.3	-175.2	-178.3	61.7	-150.5	-6	111.3	G42 E43 I44 V48 Q49 E50	G42-R46 PolarHBondContact O-N 2.91Å; E43-R46 PolarHBondContact O-N 3.08Å; E43-R46 IonicContact OE1-NH2 3.86Å; E43-R46 PolarHBondContact OE1-NH2 3.08Å; I44-R46 VanDerWaalsContact C-N 3.32Å; I44-R46 PolarHBondContact O-N 3.42Å; R46-V48 VanDerWaalsContact C-N 3.34Å; R46-V48 PolarHBondContact O-N 2.93Å; R46-Q49 PolarHBondContact O-N 2.89Å; R46-Q49 VanDerWaalsContact O-N 3.16Å; R46-E50 WeakPolarHBondContact CG-OE1 3.41Å; R46-E50 WeakPolarHBondContact O-CG 3.49Å; R46-E50 PolarHBondContact O-N 2.95Å
47	K	83.6	Confident	81.6	Confident	53 Å²	53	66.3 Å²	66.3	23%	0.23	34%	0.337	C	S	.	.	H	α-helix	trans	-60.1	-41	178	-72.6	-178	176	-175	0	112.4	E43 I44 E50 Q51 T97 E101	E43-K47 WeakPolarHBondContact O-CG 3.1Å; E43-K47 PolarHBondContact O-N 2.92Å; I44-K47 PolarHBondContact O-N 3Å; K47-E50 PolarHBondContact O-N 3.49Å; K47-Q51 WeakPolarHBondContact O-CB 3.44Å; K47-Q51 WeakPolarHBondContact O-CG 3.5Å; K47-Q51 PolarHBondContact O-N 2.86Å; K47-T97 HydrophobicContact CB-CG2 4.1Å; K47-E101 IonicContact NZ-OE1 2.9Å; K47-E101 PolarHBondContact NZ-OE1 3.28Å; K47-E101 IonicContact NZ-OE2 2.86Å; K47-E101 PolarHBondContact NZ-OE2 3.5Å
48	V	83.5	Confident	80.8	Confident	17 Å²	17	63.9 Å²	63.9	10%	0.103	32%	0.32	C	S	.	.	H	α-helix	trans	-65.5	-41.6	175.9	168.9	0	0	0	0	111.4	I44 R46 Q51 L52 I93 W94 T97	I44-V48 HydrophobicContact CG2-CG2 4.17Å; I44-V48 WeakPolarHBondContact O-CB 3.36Å; I44-V48 VanDerWaalsContact O-CG2 3.24Å; I44-V48 WeakPolarHBondContact O-CG2 3.36Å; I44-V48 PolarHBondContact O-N 3.01Å; R46-V48 VanDerWaalsContact C-N 3.34Å; R46-V48 PolarHBondContact O-N 2.93Å; V48-Q51 PolarHBondContact O-N 3.33Å; V48-L52 HydrophobicContact CG1-CD1 3.91Å; V48-L52 HydrophobicContact CG1-CG 4.38Å; V48-L52 WeakPolarHBondContact O-CB 3.47Å; V48-L52 VanDerWaalsContact O-CG 3.29Å; V48-L52 WeakPolarHBondContact O-CG 3.28Å; V48-L52 PolarHBondContact O-N 3.35Å; V48-I93 HydrophobicContact CG1-CG2 3.68Å; V48-W94 HydrophobicContact CG2-CB 3.93Å; V48-T97 HydrophobicContact CG2-CG2 4.12Å
49	Q	82.1	Confident	79.5	Confident	122 Å²	122	64.5 Å²	64.5	57%	0.57	33%	0.33	S	S	*	.	H	α-helix	trans	-64.8	-41.1	177.7	-173.1	64.7	29.1	0	0	111.8	C45 R46 L52 Q53	C45-Q49 WeakPolarHBondContact O-CB 3.3Å; C45-Q49 PolarHBondContact O-N 2.97Å; R46-Q49 PolarHBondContact O-N 2.89Å; R46-Q49 VanDerWaalsContact O-N 3.16Å; Q49-L52 PolarHBondContact O-N 3.14Å; Q49-Q53 WeakPolarHBondContact O-CB 3.45Å; Q49-Q53 PolarHBondContact O-N 3.27Å
50	E	82.7	Confident	78.4	Confident	99 Å²	99	66.1 Å²	66.1	46%	0.463	33%	0.325	S	S	.	.	H	α-helix	trans	-62.6	-43.7	174.2	-72.4	167.7	-172.2	0	0	111.5	R46 K47 Q53 Q54	R46-E50 WeakPolarHBondContact CG-OE1 3.41Å; R46-E50 WeakPolarHBondContact O-CG 3.49Å; R46-E50 PolarHBondContact O-N 2.95Å; K47-E50 PolarHBondContact O-N 3.49Å; E50-Q53 PolarHBondContact O-N 2.9Å; E50-Q54 VanDerWaalsContact O-CG 3.31Å; E50-Q54 WeakPolarHBondContact O-CG 3.42Å; E50-Q54 PolarHBondContact O-N 3.4Å
51	Q	78.1	Confident	77.1	Confident	78 Å²	78	73.4 Å²	73.4	36%	0.364	35%	0.348	S	S	.	.	H	α-helix	trans	-64.8	-39.1	176.4	-76	179.9	-20.3	0	0	112.8	K47 V48 Q55 I93 T97	K47-Q51 WeakPolarHBondContact O-CB 3.44Å; K47-Q51 WeakPolarHBondContact O-CG 3.5Å; K47-Q51 PolarHBondContact O-N 2.86Å; V48-Q51 PolarHBondContact O-N 3.33Å; Q51-Q55 WeakPolarHBondContact O-CB 3.49Å; Q51-Q55 VanDerWaalsContact O-CG 3.27Å; Q51-Q55 WeakPolarHBondContact O-CG 3.42Å; Q51-Q55 PolarHBondContact O-N 3.36Å; Q51-I93 HydrophobicContact CB-CD1 4.06Å; Q51-T97 PolarHBondContact OE1-OG1 3.28Å; Q51-T97 VanDerWaalsContact OE1-OG1 3.12Å
52	L	78.9	Confident	75.8	Confident	58 Å²	58	77.5 Å²	77.5	30%	0.304	38%	0.382	S	S	.	.	H	α-helix	trans	-68.2	-37.7	175.6	-72.4	171.3	0	0	0	112	V48 Q49 Q55 A56 I90 I93	V48-L52 HydrophobicContact CG1-CD1 3.91Å; V48-L52 HydrophobicContact CG1-CG 4.38Å; V48-L52 WeakPolarHBondContact O-CB 3.47Å; V48-L52 VanDerWaalsContact O-CG 3.29Å; V48-L52 WeakPolarHBondContact O-CG 3.28Å; V48-L52 PolarHBondContact O-N 3.35Å; Q49-L52 PolarHBondContact O-N 3.14Å; L52-Q55 PolarHBondContact O-N 3.45Å; L52-A56 PolarHBondContact O-N 3.16Å; L52-I90 HydrophobicContact CD2-CG2 3.76Å; L52-I93 HydrophobicContact CD2-CD1 4.27Å; L52-I93 HydrophobicContact CD2-CG2 4.37Å
53	Q	78.9	Confident	74.2	Confident	95 Å²	95	84.1 Å²	84.1	44%	0.444	41%	0.407	S	S	.	.	H	α-helix	trans	-64.9	-45	175.1	-174.3	60.1	45.3	0	0	111.1	Q49 E50 Q55 A56 D57	Q49-Q53 WeakPolarHBondContact O-CB 3.45Å; Q49-Q53 PolarHBondContact O-N 3.27Å; E50-Q53 PolarHBondContact O-N 2.9Å; Q53-Q55 VanDerWaalsContact C-N 3.32Å; Q53-Q55 PolarHBondContact O-N 3.19Å; Q53-A56 PolarHBondContact O-N 3.15Å; Q53-D57 PolarHBondContact NE2-OD1 2.74Å; Q53-D57 PolarHBondContact NE2-OD2 3.27Å; Q53-D57 PolarHBondContact O-N 3.2Å
54	Q	76.2	Confident	72.5	Confident	120 Å²	120	84.1 Å²	84.1	56%	0.561	42%	0.417	S	S	*	.	H	α-helix	trans	-60.1	-40	174.8	-72.9	173.4	7.1	0	0	112.3	E50 D57 L58	E50-Q54 VanDerWaalsContact O-CG 3.31Å; E50-Q54 WeakPolarHBondContact O-CG 3.42Å; E50-Q54 PolarHBondContact O-N 3.4Å; Q54-D57 PolarHBondContact O-N 3.25Å; Q54-L58 WeakPolarHBondContact O-CB 3.45Å; Q54-L58 WeakPolarHBondContact O-CD1 3.35Å; Q54-L58 VanDerWaalsContact O-CG 3.24Å; Q54-L58 WeakPolarHBondContact O-CG 3.23Å; Q54-L58 PolarHBondContact O-N 3.38Å
55	Q	72.4	Confident	70.5	Confident	22 Å²	22	90 Å²	90	10%	0.103	45%	0.452	C	S	.	.	H	α-helix	trans	-66.3	-37.4	175.4	-75.4	-77.2	-39.3	0	0	112.7	Q51 L52 Q53 T59 Q83 L85	Q51-Q55 WeakPolarHBondContact O-CB 3.49Å; Q51-Q55 VanDerWaalsContact O-CG 3.27Å; Q51-Q55 WeakPolarHBondContact O-CG 3.42Å; Q51-Q55 PolarHBondContact O-N 3.36Å; L52-Q55 PolarHBondContact O-N 3.45Å; Q53-Q55 VanDerWaalsContact C-N 3.32Å; Q53-Q55 PolarHBondContact O-N 3.19Å; Q55-T59 WeakPolarHBondContact O-CB 3.28Å; Q55-T59 PolarHBondContact O-N 3.21Å; Q55-T59 PolarHBondContact O-OG1 3.18Å; Q55-Q83 PolarHBondContact NE2-O 2.69Å; Q55-L85 HydrophobicContact CG-CD1 4.27Å
56	A	71.9	Confident	68.6	Low	42 Å²	42	91.4 Å²	91.4	35%	0.347	47%	0.473	S	S	.	.	H	α-helix	trans	-67	-39.5	175.1	0	0	0	0	0	112.1	L52 Q53 T59 R60	L52-A56 PolarHBondContact O-N 3.16Å; Q53-A56 PolarHBondContact O-N 3.15Å; A56-T59 PolarHBondContact O-N 3.04Å; A56-R60 WeakPolarHBondContact O-CG 3.28Å; A56-R60 PolarHBondContact O-N 3.36Å
57	D	71.6	Confident	66.4	Low	67 Å²	67	93.8 Å²	93.8	36%	0.358	49%	0.49	S	S	.	.	H	α-helix	trans	-71.6	-34.9	178.4	-67.4	-31.9	0	0	0	112.4	Q53 Q54 R60 R61	Q53-D57 PolarHBondContact NE2-OD1 2.74Å; Q53-D57 PolarHBondContact NE2-OD2 3.27Å; Q53-D57 PolarHBondContact O-N 3.2Å; Q54-D57 PolarHBondContact O-N 3.25Å; D57-R60 PolarHBondContact O-N 3.11Å; D57-R61 WeakPolarHBondContact O-CB 3.46Å; D57-R61 PolarHBondContact O-N 3.24Å
58	L	67.3	Low	63.7	Low	46 Å²	46	100 Å²	100	24%	0.241	52%	0.52	C	S	.	.	H	α-helix	trans	-65	-40.4	171	-75.6	161.6	0	0	0	112.2	Q54 R61 A62 P82	Q54-L58 WeakPolarHBondContact O-CB 3.45Å; Q54-L58 WeakPolarHBondContact O-CD1 3.35Å; Q54-L58 VanDerWaalsContact O-CG 3.24Å; Q54-L58 WeakPolarHBondContact O-CG 3.23Å; Q54-L58 PolarHBondContact O-N 3.38Å; L58-R61 PolarHBondContact O-N 3.32Å; L58-A62 WeakPolarHBondContact O-CB 3.44Å; L58-A62 PolarHBondContact O-N 3.25Å; L58-P82 HydrophobicContact CD1-CB 3.67Å; L58-P82 HydrophobicContact CD1-CG 3.9Å
59	T	62.2	Low	62	Low	64 Å²	64	104.1 Å²	104.1	39%	0.393	55%	0.547	S	S	.	.	H	α-helix	trans	-69.1	-35.1	177.6	-51.7	0	0	0	0	111.5	Q55 A56	Q55-T59 WeakPolarHBondContact O-CB 3.28Å; Q55-T59 PolarHBondContact O-N 3.21Å; Q55-T59 PolarHBondContact O-OG1 3.18Å; A56-T59 PolarHBondContact O-N 3.04Å
60	R	64.6	Low	59.6	Low	175 Å²	175	105.9 Å²	105.9	66%	0.66	56%	0.559	S	S	*	*	H	α-helix	trans	-69.9	-41.2	173.2	-79.3	-179	175.4	179	-1.1	113	A56 D57 A62 Q63 S64	A56-R60 WeakPolarHBondContact O-CG 3.28Å; A56-R60 PolarHBondContact O-N 3.36Å; D57-R60 PolarHBondContact O-N 3.11Å; R60-A62 VanDerWaalsContact C-N 3.33Å; R60-A62 PolarHBondContact O-N 3.47Å; R60-Q63 PolarHBondContact O-N 3.23Å; R60-S64 PolarHBondContact O-N 3.22Å
61	R	57.9	Low	57.1	Low	192 Å²	192	112.5 Å²	112.5	73%	0.725	58%	0.58	S	S	*	*	H	α-helix	trans	-66.1	-32.4	175.8	-81.1	-178.9	176.4	178.5	-0.1	113	D57 L58 Q63 S64	D57-R61 WeakPolarHBondContact O-CB 3.46Å; D57-R61 PolarHBondContact O-N 3.24Å; L58-R61 PolarHBondContact O-N 3.32Å; R61-Q63 PolarHBondContact O-N 3.48Å; R61-S64 PolarHBondContact O-N 2.97Å
62	A	56.5	Low	55.3	Low	86 Å²	86	120.3 Å²	120.3	71%	0.711	61%	0.606	S	S	*	*	H	α-helix	trans	-67.5	-20.1	174.2	0	0	0	0	0	113.4	L58 R60	L58-A62 WeakPolarHBondContact O-CB 3.44Å; L58-A62 PolarHBondContact O-N 3.25Å; R60-A62 VanDerWaalsContact C-N 3.33Å; R60-A62 PolarHBondContact O-N 3.47Å
63	Q	51.9	Low	52.9	Low	163 Å²	163	127 Å²	127	76%	0.762	64%	0.636	S	S	*	*	H	α-helix	trans	-96.1	-9.2	179.4	-69.1	177.5	-3.7	0	0	113.7	R60 R61	R60-Q63 PolarHBondContact O-N 3.23Å; R61-Q63 PolarHBondContact O-N 3.48Å
64	S	49.6	Very low	50.6	Low	88 Å²	88	126 Å²	126	62%	0.615	65%	0.651	S	S	*	*	S	Bend	trans	-112.5	8.4	-169.3	79.1	0	0	0	0	116.4	R60 R61	R60-S64 PolarHBondContact O-N 3.22Å; R61-S64 PolarHBondContact O-N 2.97Å
65	V	43.5	Very low	48.2	Very low	127 Å²	127	125.5 Å²	125.5	77%	0.77	66%	0.661	S	S	*	*			trans	-115.8	85.7	179.7	-172	0	0	0	0	110.7
66	G	42.5	Very low	46.5	Very low	68 Å²	68	126.6 Å²	126.6	70%	0.701	67%	0.671	S	S	*	*			trans	-107.2	129.6	154.5	0	0	0	0	0	108.7
67	H	37.5	Very low	44.5	Very low	188 Å²	188	130.6 Å²	130.6	87%	0.87	69%	0.691	S	S	*	*			trans	70.6	100.7	171.5	-80.4	-83.8	0	0	0	119.5
68	E	28.6	Very low	43.1	Very low	184 Å²	184	134.4 Å²	134.4	86%	0.86	72%	0.717	S	S	*	*				177.8	153.8	108.7	-100.7	-145.2	139.3	0	0	111.9
69	P	47.6	Very low	41.4	Very low	102 Å²	102	137 Å²	137	66%	0.662	74%	0.739	S	S	*	*			trans	-103.1	137.4	176.4	35.9	-24.6	0	0	0	111.8
70	L	32.1	Very low	40.4	Very low	159 Å²	159	143.5 Å²	143.5	83%	0.832	76%	0.757	S	S	*	*			trans	173.1	136.3	137.7	-93	150.2	0	0	0	114.3
71	R	29.1	Very low	39.3	Very low	239 Å²	239	140 Å²	140	90%	0.902	76%	0.756	S	S	*	*			trans	76.6	139.1	142.1	-88.8	-173	173.5	-155	-0.8	123.5
72	R	39.7	Very low	38.7	Very low	241 Å²	241	134.5 Å²	134.5	91%	0.909	75%	0.746	S	S	*	*			trans	-69.4	147.1	179.9	-62.5	173.9	179.2	170.7	-1.6	112.8
73	Q	28.8	Very low	38.5	Very low	200 Å²	200	137.1 Å²	137.1	94%	0.935	74%	0.743	S	S	*	*				-167.7	166	122.3	-112.8	174.8	2.8	0	0	110.6
74	G	30.3	Very low	38.8	Very low	74 Å²	74	133.6 Å²	133.6	76%	0.763	73%	0.734	S	S	*	*			trans	-103.8	-177.6	-158.8	0	0	0	0	0	115.8
75	S	27.7	Very low	39.4	Very low	108 Å²	108	133.1 Å²	133.1	76%	0.755	73%	0.725	S	S	*	*			trans	111.9	140.9	163.2	-151.8	0	0	0	0	117.7
76	S	36.6	Very low	40.4	Very low	45 Å²	45	130.7 Å²	130.7	32%	0.315	71%	0.713	S	S	.	*			trans	-43.3	137.6	-167	55.8	0	0	0	0	119.2
77	T	28.5	Very low	41.1	Very low	127 Å²	127	131.4 Å²	131.4	78%	0.779	71%	0.713	S	S	*	*				173.9	138.1	128.8	32.8	0	0	0	0	109.1	S79	T77-S79 PolarHBondContact O-N 2.96Å
78	T	43	Very low	42	Very low	146 Å²	146	128.3 Å²	128.3	90%	0.896	70%	0.698	S	S	*	*			trans	-61.2	94.1	176.1	35.6	0	0	0	0	112
79	S	31.8	Very low	43.6	Very low	101 Å²	101	120.2 Å²	120.2	71%	0.706	66%	0.663	S	S	*	*			trans	-153.4	108.6	151.2	58.8	0	0	0	0	110.3	T77	T77-S79 PolarHBondContact O-N 2.96Å
80	R	40.1	Very low	44.5	Very low	201 Å²	201	118.3 Å²	118.3	76%	0.758	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-61	131.7	164.5	-159.1	177.1	-170.5	-175.6	1.8	106.3
81	P	42.4	Very low	46.3	Very low	101 Å²	101	116.5 Å²	116.5	66%	0.656	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-56.3	133.6	177.5	21.5	-30.9	0	0	0	108.6	Q83	P81-Q83 PolarHBondContact O-N 3.46Å; P81-Q83 VanDerWaalsContact O-N 3.16Å
82	P	45.8	Very low	48.5	Very low	77 Å²	77	105.7 Å²	105.7	50%	0.5	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-63	124.1	-172.4	-12.7	23.5	0	0	0	109.1	L58	L58-P82 HydrophobicContact CD1-CB 3.67Å; L58-P82 HydrophobicContact CD1-CG 3.9Å
83	Q	51.2	Low	50.4	Low	140 Å²	140	94.8 Å²	94.8	65%	0.654	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-69.9	144.5	170.7	-72.1	-169.8	-13	0	0	109.4	Q55 P81 L85	Q55-Q83 PolarHBondContact NE2-O 2.69Å; P81-Q83 PolarHBondContact O-N 3.46Å; P81-Q83 VanDerWaalsContact O-N 3.16Å; Q83-L85 PolarHBondContact O-N 2.92Å
84	P	58.6	Low	52.8	Low	90 Å²	90	86.2 Å²	86.2	58%	0.584	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-60.2	129.1	174	22.4	-29.6	0	0	0	109.8
85	L	61.4	Low	55	Low	78 Å²	78	82.7 Å²	82.7	41%	0.408	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-67.8	148.9	179	-71.4	169.6	0	0	0	110.2	Q55 Q83 A89 I90 I93	Q55-L85 HydrophobicContact CG-CD1 4.27Å; Q83-L85 PolarHBondContact O-N 2.92Å; L85-A89 HydrophobicContact CB-CB 4.24Å; L85-A89 HydrophobicContact CD2-CB 4.39Å; L85-I90 HydrophobicContact CB-CD1 4.31Å; L85-I90 HydrophobicContact CB-CG1 3.77Å; L85-I93 HydrophobicContact CD1-CD1 4.15Å
86	S	64.8	Low	57.3	Low	76 Å²	76	83.4 Å²	83.4	53%	0.531	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-64.2	151.7	173.4	73.4	0	0	0	0	111.2	Q88 A89 I90	S86-Q88 PolarHBondContact O-N 3.2Å; S86-Q88 VanDerWaalsContact O-N 3.11Å; S86-A89 WeakPolarHBondContact O-CA 3.33Å; S86-A89 WeakPolarHBondContact O-CB 3.4Å; S86-A89 PolarHBondContact O-N 3.38Å; S86-A89 WeakPolarHBondContact OG-CB 3.48Å; S86-A89 PolarHBondContact OG-N 2.87Å; S86-I90 WeakPolarHBondContact O-CG1 3.42Å; S86-I90 PolarHBondContact O-N 3.06Å
87	A	57.6	Low	59.4	Low	83 Å²	83	81.7 Å²	81.7	69%	0.686	45%	0.448	S	S	*	.	H	α-helix	trans	-54.6	-34	179.6	0	0	0	0	0	113	K91	A87-K91 PolarHBondContact O-N 3.14Å; A87-K91 VanDerWaalsContact O-N 3.16Å
88	Q	56.2	Low	61.7	Low	123 Å²	123	75.7 Å²	75.7	58%	0.575	41%	0.411	S	S	*	.	H	α-helix	trans	-73.5	-30.5	175.6	-157.8	73.9	-0.5	0	0	112.8	S86 H92	S86-Q88 PolarHBondContact O-N 3.2Å; S86-Q88 VanDerWaalsContact O-N 3.11Å; Q88-H92 PolarHBondContact O-CD2 3.42Å
89	A	61.6	Low	63.2	Low	13 Å²	13	70.2 Å²	70.2	11%	0.107	38%	0.376	C	S	.	.	H	α-helix	trans	-72.9	-38	174.9	0	0	0	0	0	111.7	L85 S86 H92 I93 R96	L85-A89 HydrophobicContact CB-CB 4.24Å; L85-A89 HydrophobicContact CD2-CB 4.39Å; S86-A89 WeakPolarHBondContact O-CA 3.33Å; S86-A89 WeakPolarHBondContact O-CB 3.4Å; S86-A89 PolarHBondContact O-N 3.38Å; S86-A89 WeakPolarHBondContact OG-CB 3.48Å; S86-A89 PolarHBondContact OG-N 2.87Å; A89-H92 PolarHBondContact O-N 3.12Å; A89-I93 PolarHBondContact O-N 3.31Å; A89-R96 PolarHBondContact O-NH1 2.98Å
90	I	68.3	Low	65.1	Low	62 Å²	62	70.7 Å²	70.7	32%	0.318	37%	0.366	S	S	.	.	H	α-helix	trans	-63.5	-40.9	174.9	-65.4	171.6	0	0	0	111	L52 L85 S86 H92 I93	L52-I90 HydrophobicContact CD2-CG2 3.76Å; L85-I90 HydrophobicContact CB-CD1 4.31Å; L85-I90 HydrophobicContact CB-CG1 3.77Å; S86-I90 WeakPolarHBondContact O-CG1 3.42Å; S86-I90 PolarHBondContact O-N 3.06Å; I90-H92 VanDerWaalsContact C-N 3.29Å; I90-H92 PolarHBondContact O-N 3.02Å; I90-I93 WeakPolarHBondContact O-CB 3.23Å; I90-I93 VanDerWaalsContact O-CG2 3.22Å; I90-I93 WeakPolarHBondContact O-CG2 3.36Å; I90-I93 PolarHBondContact O-N 2.83Å
91	K	69.1	Low	67	Low	121 Å²	121	64.6 Å²	64.6	53%	0.526	35%	0.346	S	S	.	.	H	α-helix	trans	-57.8	-37.2	179.8	-171.3	177.9	180	-179.4	0	113.9	A87	A87-K91 PolarHBondContact O-N 3.14Å; A87-K91 VanDerWaalsContact O-N 3.16Å
92	H	76.1	Confident	68.6	Low	12 Å²	12	63 Å²	63	6%	0.056	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	23.3	-177	-56.2	-55.4	0	0	0	113	A3 E7 Q88 A89 I90 W94 V95 R96	A3-H92 HydrophobicContact CB-CB 3.88Å; E7-H92 IonicContact OE1-CE1 3.72Å; E7-H92 IonicContact OE1-CG 2.79Å; E7-H92 IonicContact OE1-ND1 2.69Å; E7-H92 PolarHBondContact OE1-ND1 2.9Å; E7-H92 IonicContact OE2-CE1 3.03Å; E7-H92 PolarHBondContact OE2-CE1 2.92Å; E7-H92 IonicContact OE2-ND1 3.26Å; E7-H92 PolarHBondContact OE2-ND1 3.15Å; Q88-H92 PolarHBondContact O-CD2 3.42Å; A89-H92 PolarHBondContact O-N 3.12Å; I90-H92 VanDerWaalsContact C-N 3.29Å; I90-H92 PolarHBondContact O-N 3.02Å; H92-W94 VanDerWaalsContact C-N 3.28Å; H92-W94 PolarHBondContact O-N 2.89Å; H92-V95 PolarHBondContact O-N 2.86Å; H92-R96 PolarHBondContact O-N 2.95Å
93	I	78.6	Confident	70.3	Confident	12 Å²	12	60.3 Å²	60.3	6%	0.062	31%	0.31	C	S	.	.	H	α-helix	trans	-59.9	-39.1	-173.1	-167.6	165.5	0	0	0	111.8	V48 Q51 L52 L85 A89 I90 V95 R96 T97	V48-I93 HydrophobicContact CG1-CG2 3.68Å; Q51-I93 HydrophobicContact CB-CD1 4.06Å; L52-I93 HydrophobicContact CD2-CD1 4.27Å; L52-I93 HydrophobicContact CD2-CG2 4.37Å; L85-I93 HydrophobicContact CD1-CD1 4.15Å; A89-I93 PolarHBondContact O-N 3.31Å; I90-I93 WeakPolarHBondContact O-CB 3.23Å; I90-I93 VanDerWaalsContact O-CG2 3.22Å; I90-I93 WeakPolarHBondContact O-CG2 3.36Å; I90-I93 PolarHBondContact O-N 2.83Å; I93-V95 PolarHBondContact O-N 3.16Å; I93-R96 WeakPolarHBondContact O-CB 3.4Å; I93-R96 PolarHBondContact O-N 3.17Å; I93-R96 VanDerWaalsContact O-N 3.16Å; I93-T97 PolarHBondContact O-N 3.3Å; I93-T97 PolarHBondContact O-OG1 2.89Å
94	W	79.8	Confident	71.8	Confident	20 Å²	20	53.7 Å²	53.7	8%	0.076	28%	0.279	C	S	.	.	H	α-helix	trans	-65.5	-37.5	-178.4	75.6	-90.4	0	0	0	113.1	I6 E7 L10 I27 F31 V48 H92 R96 T97 A98 L104	I6-W94 HydrophobicContact CG2-CH2 4.44Å; E7-W94 HydrophobicContact CG-CZ2 3.68Å; E7-W94 PolarHBondContact OE1-NE1 2.79Å; L10-W94 HydrophobicContact CD1-CH2 3.53Å; L10-W94 HydrophobicContact CD1-CZ2 4.03Å; I27-W94 HydrophobicContact CG2-CD2 4.48Å; I27-W94 HydrophobicContact CG2-CZ2 3.76Å; F31-W94 HydrophobicContact CD1-CE3 4.31Å; F31-W94 HydrophobicContact CE1-CD2 4.43Å; F31-W94 AromaticContact CE1-CE3 3.59Å; F31-W94 HydrophobicContact CE1-CE3 3.59Å; F31-W94 HydrophobicContact CE1-CH2 4.48Å; F31-W94 AromaticContact CE1-CZ3 3.66Å; F31-W94 HydrophobicContact CE1-CZ3 3.66Å; F31-W94 HydrophobicContact CE2-CD2 4.25Å; F31-W94 AromaticContact CE2-CE3 3.88Å; F31-W94 HydrophobicContact CE2-CE3 3.88Å; F31-W94 AromaticContact CE2-CH2 3.55Å; F31-W94 HydrophobicContact CE2-CH2 3.55Å; F31-W94 AromaticContact CE2-CZ2 3.92Å; F31-W94 HydrophobicContact CE2-CZ2 3.92Å; F31-W94 AromaticContact CE2-CZ3 3.56Å; F31-W94 HydrophobicContact CE2-CZ3 3.56Å; F31-W94 HydrophobicContact CZ-CD2 4.19Å; F31-W94 AromaticContact CZ-CE3 3.38Å; F31-W94 HydrophobicContact CZ-CE3 3.38Å; F31-W94 AromaticContact CZ-CH2 3.48Å; F31-W94 HydrophobicContact CZ-CH2 3.48Å; F31-W94 VanDerWaalsContact CZ-CH2 3.48Å; F31-W94 HydrophobicContact CZ-CZ2 4.24Å; F31-W94 AromaticContact CZ-CZ3 3.01Å; F31-W94 HydrophobicContact CZ-CZ3 3.01Å; V48-W94 HydrophobicContact CG2-CB 3.93Å; H92-W94 VanDerWaalsContact C-N 3.28Å; H92-W94 PolarHBondContact O-N 2.89Å; W94-R96 VanDerWaalsContact C-N 3.29Å; W94-R96 PolarHBondContact O-N 3.44Å; W94-T97 PolarHBondContact O-N 3.35Å; W94-A98 VanDerWaalsContact O-CB 3.3Å; W94-A98 WeakPolarHBondContact O-CB 3.46Å; W94-A98 PolarHBondContact O-N 2.88Å; W94-L104 HydrophobicContact CH2-CD1 4.27Å; W94-L104 HydrophobicContact CZ3-CD1 3.69Å
95	V	76.3	Confident	72.7	Confident	1 Å²	1	51 Å²	51	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-41.5	176.2	-175.7	0	0	0	0	109.3	A3 I6 E7 H92 I93 L99 L104	A3-V95 HydrophobicContact CB-CB 4.11Å; A3-V95 HydrophobicContact CB-CG1 3.97Å; A3-V95 HydrophobicContact CB-CG2 4.24Å; I6-V95 HydrophobicContact CD1-CG1 4.21Å; E7-V95 HydrophobicContact CG-CG2 4.36Å; H92-V95 PolarHBondContact O-N 2.86Å; I93-V95 PolarHBondContact O-N 3.16Å; V95-L99 HydrophobicContact CG1-CD1 3.97Å; V95-L99 HydrophobicContact CG1-CG 4.45Å; V95-L99 WeakPolarHBondContact O-CB 3.42Å; V95-L99 WeakPolarHBondContact O-CG 3.46Å; V95-L99 PolarHBondContact O-N 2.98Å; V95-L104 HydrophobicContact CG1-CD2 4.02Å
96	R	74.6	Confident	73.8	Confident	123 Å²	123	52.5 Å²	52.5	46%	0.464	26%	0.263	S	S	.	.	H	α-helix	trans	-65.8	-44.5	177.5	-67.2	-173.5	175.8	87.6	-1	111.7	A89 H92 I93 W94 L99 F100	A89-R96 PolarHBondContact O-NH1 2.98Å; H92-R96 PolarHBondContact O-N 2.95Å; I93-R96 WeakPolarHBondContact O-CB 3.4Å; I93-R96 PolarHBondContact O-N 3.17Å; I93-R96 VanDerWaalsContact O-N 3.16Å; W94-R96 VanDerWaalsContact C-N 3.29Å; W94-R96 PolarHBondContact O-N 3.44Å; R96-L99 PolarHBondContact O-N 3.17Å; R96-F100 WeakPolarHBondContact O-CB 3.31Å; R96-F100 PolarHBondContact O-N 3.14Å
97	T	80.6	Confident	74.7	Confident	9 Å²	9	48.9 Å²	48.9	6%	0.055	24%	0.238	C	C	.	.	H	α-helix	trans	-63.7	-43.8	177.7	-48.4	0	0	0	0	111	I44 K47 V48 Q51 I93 W94 L99 F100 E101	I44-T97 HydrophobicContact CD1-CG2 4.24Å; I44-T97 HydrophobicContact CG2-CG2 4.4Å; K47-T97 HydrophobicContact CB-CG2 4.1Å; V48-T97 HydrophobicContact CG2-CG2 4.12Å; Q51-T97 PolarHBondContact OE1-OG1 3.28Å; Q51-T97 VanDerWaalsContact OE1-OG1 3.12Å; I93-T97 PolarHBondContact O-N 3.3Å; I93-T97 PolarHBondContact O-OG1 2.89Å; W94-T97 PolarHBondContact O-N 3.35Å; T97-L99 PolarHBondContact O-N 3.02Å; T97-F100 PolarHBondContact O-N 2.63Å; T97-E101 WeakPolarHBondContact O-CB 3.27Å; T97-E101 WeakPolarHBondContact O-CG 3.42Å; T97-E101 PolarHBondContact O-N 3.26Å
98	A	78.5	Confident	75.9	Confident	0 Å²	0	45 Å²	45	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-67.1	-33.8	177	0	0	0	0	0	113.5	I44 W94 K102 V103 L104 I107	I44-A98 HydrophobicContact CG2-CB 4.31Å; W94-A98 VanDerWaalsContact O-CB 3.3Å; W94-A98 WeakPolarHBondContact O-CB 3.46Å; W94-A98 PolarHBondContact O-N 2.88Å; A98-K102 PolarHBondContact O-N 3.22Å; A98-V103 PolarHBondContact O-N 3.35Å; A98-L104 HydrophobicContact CB-CB 3.87Å; A98-L104 HydrophobicContact CB-CD1 4.03Å; A98-L104 PolarHBondContact O-N 3.43Å; A98-I107 HydrophobicContact CB-CD1 4.28Å
99	L	73.8	Confident	77.3	Confident	31 Å²	31	42.3 Å²	42.3	16%	0.162	19%	0.193	C	C	.	.	H	α-helix	trans	-68.7	-43.7	172.1	-78.5	169.2	0	0	0	111.9	V95 R96 T97 E101 K102 L104 Y146	V95-L99 HydrophobicContact CG1-CD1 3.97Å; V95-L99 HydrophobicContact CG1-CG 4.45Å; V95-L99 WeakPolarHBondContact O-CB 3.42Å; V95-L99 WeakPolarHBondContact O-CG 3.46Å; V95-L99 PolarHBondContact O-N 2.98Å; R96-L99 PolarHBondContact O-N 3.17Å; T97-L99 PolarHBondContact O-N 3.02Å; L99-E101 VanDerWaalsContact C-N 3.28Å; L99-E101 PolarHBondContact O-N 2.99Å; L99-K102 PolarHBondContact O-N 3.22Å; L99-K102 VanDerWaalsContact O-N 3.1Å; L99-L104 HydrophobicContact CD1-CD2 4.37Å; L99-L104 HydrophobicContact CD2-CB 4.3Å; L99-L104 HydrophobicContact CD2-CD2 3.59Å; L99-L104 HydrophobicContact CG-CB 4.48Å; L99-L104 HydrophobicContact CG-CD2 3.69Å; L99-Y146 HydrophobicContact CB-CD2 4.44Å; L99-Y146 HydrophobicContact CD2-CE2 4.13Å
100	F	72.6	Confident	78.5	Confident	112 Å²	112	43.3 Å²	43.3	49%	0.491	20%	0.196	S	C	.	.	H	α-helix	trans	-61.6	-40.1	178.7	-170.9	-96.6	0	0	0	111.6	R96 T97 K102 T147	R96-F100 WeakPolarHBondContact O-CB 3.31Å; R96-F100 PolarHBondContact O-N 3.14Å; T97-F100 PolarHBondContact O-N 2.63Å; F100-K102 PolarHBondContact O-N 2.82Å; F100-T147 HydrophobicContact CE1-CG2 4.4Å; F100-T147 HydrophobicContact CE2-CG2 4.36Å; F100-T147 HydrophobicContact CZ-CG2 4.15Å
101	E	78.1	Confident	79.3	Confident	73 Å²	73	40.3 Å²	40.3	34%	0.341	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	0.7	178.5	-63.1	-75.3	160.8	0	0	113	I44 K47 T97 L99 V103	I44-E101 HydrophobicContact CD1-CB 3.72Å; I44-E101 HydrophobicContact CD1-CG 3.63Å; K47-E101 IonicContact NZ-OE1 2.9Å; K47-E101 PolarHBondContact NZ-OE1 3.28Å; K47-E101 IonicContact NZ-OE2 2.86Å; K47-E101 PolarHBondContact NZ-OE2 3.5Å; T97-E101 WeakPolarHBondContact O-CB 3.27Å; T97-E101 WeakPolarHBondContact O-CG 3.42Å; T97-E101 PolarHBondContact O-N 3.26Å; L99-E101 VanDerWaalsContact C-N 3.28Å; L99-E101 PolarHBondContact O-N 2.99Å; E101-V103 VanDerWaalsContact C-N 3.29Å; E101-V103 HydrophobicContact CB-CG2 3.89Å; E101-V103 WeakPolarHBondContact O-CG1 3.32Å; E101-V103 PolarHBondContact O-N 2.94Å
102	K	76.9	Confident	80.1	Confident	68 Å²	68	35 Å²	35	30%	0.296	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	39.9	179.7	-50.9	-178.4	-173	-177.6	0	113.7	A98 L99 F100 E145	A98-K102 PolarHBondContact O-N 3.22Å; L99-K102 PolarHBondContact O-N 3.22Å; L99-K102 VanDerWaalsContact O-N 3.1Å; F100-K102 PolarHBondContact O-N 2.82Å; K102-E145 IonicContact NZ-OE1 3.31Å; K102-E145 PolarHBondContact NZ-OE1 3.2Å
103	V	81.9	Confident	80.5	Confident	20 Å²	20	39.5 Å²	39.5	12%	0.121	18%	0.182	C	C	.	.			trans	-125.8	0.7	-177.9	-68.1	0	0	0	0	113.6	T40 I44 A98 E101 D105 K106 I107	T40-V103 HydrophobicContact CG2-CB 3.64Å; T40-V103 HydrophobicContact CG2-CG1 3.55Å; T40-V103 HydrophobicContact CG2-CG2 4.06Å; I44-V103 HydrophobicContact CD1-CG2 3.76Å; I44-V103 HydrophobicContact CG1-CG2 3.79Å; A98-V103 PolarHBondContact O-N 3.35Å; E101-V103 VanDerWaalsContact C-N 3.29Å; E101-V103 HydrophobicContact CB-CG2 3.89Å; E101-V103 WeakPolarHBondContact O-CG1 3.32Å; E101-V103 PolarHBondContact O-N 2.94Å; V103-D105 VanDerWaalsContact C-N 3.35Å; V103-D105 PolarHBondContact O-N 3.1Å; V103-K106 HydrophobicContact CG1-CD 4.49Å; V103-K106 PolarHBondContact O-N 2.98Å; V103-I107 HydrophobicContact CB-CD1 4.37Å; V103-I107 HydrophobicContact CG2-CD1 3.9Å; V103-I107 VanDerWaalsContact O-CG1 3.27Å; V103-I107 WeakPolarHBondContact O-CG1 3.33Å; V103-I107 PolarHBondContact O-N 3.4Å
104	L	82.1	Confident	81	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.1	-41.8	-177.8	176.4	67	0	0	0	112.3	I6 W94 V95 A98 L99 I107 V108 L138	I6-L104 HydrophobicContact CD1-CD2 4.13Å; W94-L104 HydrophobicContact CH2-CD1 4.27Å; W94-L104 HydrophobicContact CZ3-CD1 3.69Å; V95-L104 HydrophobicContact CG1-CD2 4.02Å; A98-L104 HydrophobicContact CB-CB 3.87Å; A98-L104 HydrophobicContact CB-CD1 4.03Å; A98-L104 PolarHBondContact O-N 3.43Å; L99-L104 HydrophobicContact CD1-CD2 4.37Å; L99-L104 HydrophobicContact CD2-CB 4.3Å; L99-L104 HydrophobicContact CD2-CD2 3.59Å; L99-L104 HydrophobicContact CG-CB 4.48Å; L99-L104 HydrophobicContact CG-CD2 3.69Å; L104-I107 PolarHBondContact O-N 3.23Å; L104-V108 HydrophobicContact CD1-CG2 4.13Å; L104-V108 WeakPolarHBondContact O-CG2 3.42Å; L104-V108 PolarHBondContact O-N 3.02Å; L104-L138 HydrophobicContact CD2-CD2 4.39Å
105	D	78.3	Confident	81.2	Confident	35 Å²	35	40 Å²	40	19%	0.187	19%	0.188	C	C	.	.	H	α-helix	trans	-59.3	-46.8	174.3	64	-48.2	0	0	0	111.4	V103 I107 V108 Q109 L138 V139 C142	V103-D105 VanDerWaalsContact C-N 3.35Å; V103-D105 PolarHBondContact O-N 3.1Å; D105-I107 PolarHBondContact O-N 2.83Å; D105-V108 PolarHBondContact O-N 3.35Å; D105-Q109 VanDerWaalsContact O-CB 3.28Å; D105-Q109 WeakPolarHBondContact O-CB 3.5Å; D105-Q109 PolarHBondContact O-N 3Å; D105-L138 HydrophobicContact CB-CB 4.47Å; D105-V139 HydrophobicContact CB-CG2 4.34Å; D105-C142 HydrophobicContact CB-CB 3.9Å
106	K	83.3	Confident	81.6	Confident	108 Å²	108	43.2 Å²	43.2	47%	0.47	21%	0.21	S	C	.	.	H	α-helix	trans	-63.5	-40.3	179	-61.3	178.6	-177.5	172.2	0	112.2	V103 H110	V103-K106 HydrophobicContact CG1-CD 4.49Å; V103-K106 PolarHBondContact O-N 2.98Å; K106-H110 WeakPolarHBondContact O-CB 3.06Å; K106-H110 PolarHBondContact O-N 2.88Å
107	I	84.3	Confident	82	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.3	-44.9	177.8	-66.7	165.7	0	0	0	110.4	F31 Y38 A41 I44 A98 V103 L104 D105 H110 I111	F31-I107 HydrophobicContact CE1-CG2 3.64Å; F31-I107 HydrophobicContact CZ-CG2 3.79Å; Y38-I107 HydrophobicContact CE1-CG1 4.06Å; A41-I107 HydrophobicContact CB-CD1 4.5Å; A41-I107 HydrophobicContact CB-CG1 4.28Å; A41-I107 HydrophobicContact CB-CG2 4.34Å; I44-I107 HydrophobicContact CG1-CD1 3.99Å; A98-I107 HydrophobicContact CB-CD1 4.28Å; V103-I107 HydrophobicContact CB-CD1 4.37Å; V103-I107 HydrophobicContact CG2-CD1 3.9Å; V103-I107 VanDerWaalsContact O-CG1 3.27Å; V103-I107 WeakPolarHBondContact O-CG1 3.33Å; V103-I107 PolarHBondContact O-N 3.4Å; L104-I107 PolarHBondContact O-N 3.23Å; D105-I107 PolarHBondContact O-N 2.83Å; I107-H110 PolarHBondContact O-N 3.04Å; I107-I111 HydrophobicContact CG2-CD1 4.04Å; I107-I111 VanDerWaalsContact O-CG1 3.27Å; I107-I111 WeakPolarHBondContact O-CG1 3.46Å; I107-I111 PolarHBondContact O-N 3.31Å; I107-I111 VanDerWaalsContact O-N 3.09Å
108	V	83.9	Confident	82.1	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-68.4	-39.2	179.1	175.8	0	0	0	0	111.1	L104 D105 H110 I111 V112 M125 A135 L138	L104-V108 HydrophobicContact CD1-CG2 4.13Å; L104-V108 WeakPolarHBondContact O-CG2 3.42Å; L104-V108 PolarHBondContact O-N 3.02Å; D105-V108 PolarHBondContact O-N 3.35Å; V108-H110 PolarHBondContact O-N 3.47Å; V108-I111 WeakPolarHBondContact O-CB 3.18Å; V108-I111 PolarHBondContact O-N 3.38Å; V108-V112 WeakPolarHBondContact O-CG2 3.38Å; V108-V112 PolarHBondContact O-N 2.94Å; V108-M125 HydrophobicContact CG1-CE 3.91Å; V108-A135 HydrophobicContact CG1-CB 4.24Å; V108-L138 HydrophobicContact CB-CD1 3.8Å; V108-L138 HydrophobicContact CG1-CD1 3.78Å; V108-L138 HydrophobicContact CG2-CD1 3.64Å
109	Q	84.4	Confident	82.4	Confident	67 Å²	67	43.2 Å²	43.2	31%	0.313	21%	0.213	S	C	.	.	H	α-helix	trans	-59.3	-46.8	173.4	-171.5	62.5	57	0	0	111.5	D105 I111 V112 D113 A135	D105-Q109 VanDerWaalsContact O-CB 3.28Å; D105-Q109 WeakPolarHBondContact O-CB 3.5Å; D105-Q109 PolarHBondContact O-N 3Å; Q109-I111 VanDerWaalsContact C-N 3.26Å; Q109-I111 PolarHBondContact O-N 3.2Å; Q109-V112 WeakPolarHBondContact O-CB 3.27Å; Q109-V112 PolarHBondContact O-N 3.06Å; Q109-V112 VanDerWaalsContact O-N 3.09Å; Q109-D113 PolarHBondContact NE2-OD1 2.99Å; Q109-D113 PolarHBondContact O-N 2.96Å; Q109-A135 HydrophobicContact CB-CB 4.27Å
110	H	86.4	Confident	82.9	Confident	34 Å²	34	45.8 Å²	45.8	16%	0.157	22%	0.224	C	C	.	.	H	α-helix	trans	-59.2	-37.4	176	-177.5	87.5	0	0	0	112.7	Y38 K106 I107 V108 N114	Y38-H110 HydrophobicContact CD1-CB 4.18Å; Y38-H110 AromaticContact CD2-ND1 3.79Å; Y38-H110 HydrophobicContact CE1-CB 4.16Å; Y38-H110 AromaticContact CG-CG 3.9Å; Y38-H110 AromaticContact CG-ND1 3.9Å; K106-H110 WeakPolarHBondContact O-CB 3.06Å; K106-H110 PolarHBondContact O-N 2.88Å; I107-H110 PolarHBondContact O-N 3.04Å; V108-H110 PolarHBondContact O-N 3.47Å; H110-N114 PolarHBondContact CE1-ND2 2.99Å; H110-N114 WeakPolarHBondContact O-CB 3.2Å; H110-N114 PolarHBondContact O-N 3.19Å; H110-N114 VanDerWaalsContact O-N 3.11Å; H110-N114 PolarHBondContact O-ND2 2.93Å
111	I	86.6	Confident	83	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67.3	-39.3	176.6	-69.5	168.8	0	0	0	111.3	L10 F31 V34 I107 V108 Q109 N114 S115 Y119 M125	L10-I111 HydrophobicContact CD2-CD1 4.28Å; L10-I111 HydrophobicContact CD2-CG2 4.39Å; F31-I111 HydrophobicContact CZ-CD1 4.48Å; V34-I111 HydrophobicContact CG1-CG1 4.36Å; V34-I111 HydrophobicContact CG2-CG1 4.13Å; I107-I111 HydrophobicContact CG2-CD1 4.04Å; I107-I111 VanDerWaalsContact O-CG1 3.27Å; I107-I111 WeakPolarHBondContact O-CG1 3.46Å; I107-I111 PolarHBondContact O-N 3.31Å; I107-I111 VanDerWaalsContact O-N 3.09Å; V108-I111 WeakPolarHBondContact O-CB 3.18Å; V108-I111 PolarHBondContact O-N 3.38Å; Q109-I111 VanDerWaalsContact C-N 3.26Å; Q109-I111 PolarHBondContact O-N 3.2Å; I111-N114 CarbonylContact O-C 3.53Å; I111-N114 PolarHBondContact O-N 2.76Å; I111-S115 WeakPolarHBondContact O-CA 3.44Å; I111-S115 WeakPolarHBondContact O-CB 3.34Å; I111-S115 PolarHBondContact O-N 3.44Å; I111-Y119 HydrophobicContact CG2-CE2 3.53Å; I111-M125 HydrophobicContact CB-CE 4.5Å; I111-M125 HydrophobicContact CG2-CE 3.96Å
112	V	84.9	Confident	82.9	Confident	10 Å²	10	52.3 Å²	52.3	6%	0.061	25%	0.247	C	C	.	.	H	α-helix	trans	-63.8	-48.7	174.9	171.8	0	0	0	0	110.6	V108 Q109 N114 S115 M125 G131 P132 A135	V108-V112 WeakPolarHBondContact O-CG2 3.38Å; V108-V112 PolarHBondContact O-N 2.94Å; Q109-V112 WeakPolarHBondContact O-CB 3.27Å; Q109-V112 PolarHBondContact O-N 3.06Å; Q109-V112 VanDerWaalsContact O-N 3.09Å; V112-N114 PolarHBondContact O-N 3.4Å; V112-S115 WeakPolarHBondContact O-CB 3.43Å; V112-S115 PolarHBondContact O-N 3.44Å; V112-S115 VanDerWaalsContact O-N 3.11Å; V112-S115 PolarHBondContact O-OG 3.17Å; V112-M125 HydrophobicContact CG2-CE 3.38Å; V112-G131 VanDerWaalsContact CG2-O 3.3Å; V112-G131 WeakPolarHBondContact CG2-O 3.25Å; V112-P132 HydrophobicContact CG1-CG 3.79Å; V112-A135 HydrophobicContact CG2-CB 4.23Å
113	D	85.3	Confident	82.9	Confident	105 Å²	105	49.1 Å²	49.1	56%	0.561	23%	0.234	S	C	*	.	H	α-helix	trans	-63.2	-27.5	-178.4	-59.7	-18.4	0	0	0	112.1	Q109	Q109-D113 PolarHBondContact NE2-OD1 2.99Å; Q109-D113 PolarHBondContact O-N 2.96Å
114	N	87.7	Confident	82.6	Confident	31 Å²	31	49.7 Å²	49.7	17%	0.166	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	16.8	179.1	-69.3	-89.5	0	0	0	113.4	H110 I111 V112 S116 K117 Y118	H110-N114 PolarHBondContact CE1-ND2 2.99Å; H110-N114 WeakPolarHBondContact O-CB 3.2Å; H110-N114 PolarHBondContact O-N 3.19Å; H110-N114 VanDerWaalsContact O-N 3.11Å; H110-N114 PolarHBondContact O-ND2 2.93Å; I111-N114 CarbonylContact O-C 3.53Å; I111-N114 PolarHBondContact O-N 2.76Å; V112-N114 PolarHBondContact O-N 3.4Å; N114-S116 PolarHBondContact O-N 2.55Å; N114-S116 VanDerWaalsContact O-N 3.11Å; N114-K117 HydrophobicContact CB-CD 4.35Å; N114-K117 WeakPolarHBondContact O-CB 3.42Å; N114-K117 PolarHBondContact O-N 2.75Å; N114-K117 PolarHBondContact OD1-NZ 3.27Å; N114-Y118 HydrophobicContact CB-CD2 4.32Å; N114-Y118 HydrophobicContact CB-CE2 3.76Å; N114-Y118 VanDerWaalsContact O-CD2 3.26Å; N114-Y118 WeakPolarHBondContact O-CD2 3.31Å
115	S	84.6	Confident	82.3	Confident	13 Å²	13	49.7 Å²	49.7	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-56.4	-34.5	-169.8	56.7	0	0	0	0	113.7	I111 V112 K117 Y118 Y119 M125 H126	I111-S115 WeakPolarHBondContact O-CA 3.44Å; I111-S115 WeakPolarHBondContact O-CB 3.34Å; I111-S115 PolarHBondContact O-N 3.44Å; V112-S115 WeakPolarHBondContact O-CB 3.43Å; V112-S115 PolarHBondContact O-N 3.44Å; V112-S115 VanDerWaalsContact O-N 3.11Å; V112-S115 PolarHBondContact O-OG 3.17Å; S115-K117 PolarHBondContact O-N 2.86Å; S115-K117 VanDerWaalsContact O-N 3.11Å; S115-Y118 PolarHBondContact O-N 3.18Å; S115-Y119 WeakPolarHBondContact O-CB 3.45Å; S115-Y119 PolarHBondContact O-N 3.1Å; S115-M125 WeakPolarHBondContact CB-O 3.35Å; S115-M125 PolarHBondContact OG-O 3.24Å; S115-H126 WeakPolarHBondContact OG-CA 3.42Å; S115-H126 PolarHBondContact OG-ND1 3.08Å
116	S	84.3	Confident	82.3	Confident	68 Å²	68	50.5 Å²	50.5	48%	0.476	24%	0.238	S	C	.	.	H	α-helix	trans	-56.4	-28.7	177.8	64	0	0	0	0	113.7	K15 N114 H126	K15-S116 PolarHBondContact NZ-O 3.45Å; N114-S116 PolarHBondContact O-N 2.55Å; N114-S116 VanDerWaalsContact O-N 3.11Å; S116-H126 WeakPolarHBondContact CA-ND1 3.32Å; S116-H126 PolarHBondContact N-ND1 3.07Å
117	K	82.9	Confident	82.2	Confident	122 Å²	122	47.8 Å²	47.8	53%	0.53	23%	0.229	S	C	.	.	H	α-helix	trans	-78.7	-26.8	179.4	-62.7	175	-176.6	161.3	0	112.7	N114 S115	N114-K117 HydrophobicContact CB-CD 4.35Å; N114-K117 WeakPolarHBondContact O-CB 3.42Å; N114-K117 PolarHBondContact O-N 2.75Å; N114-K117 PolarHBondContact OD1-NZ 3.27Å; S115-K117 PolarHBondContact O-N 2.86Å; S115-K117 VanDerWaalsContact O-N 3.11Å
118	Y	83	Confident	81.4	Confident	10 Å²	10	53 Å²	53	4%	0.039	26%	0.263	C	S	.	.	H	α-helix	trans	-115.4	-26.8	-168	-53.5	-68.2	0	0	0	113.7	L14 K15 A18 L30 K33 V34 N114 S115	L14-Y118 VanDerWaalsContact CD1-O 3.24Å; L14-Y118 WeakPolarHBondContact CD1-O 3.5Å; K15-Y118 VanDerWaalsContact CB-O 3.26Å; K15-Y118 WeakPolarHBondContact CB-O 3.17Å; K15-Y118 PolarHBondContact N-O 3.42Å; A18-Y118 HydrophobicContact CB-CD1 4.26Å; L30-Y118 HydrophobicContact CD1-CD1 4Å; L30-Y118 HydrophobicContact CD1-CG 4.03Å; K33-Y118 HydrophobicContact CD-CD1 4.37Å; K33-Y118 HydrophobicContact CD-CE1 4.15Å; K33-Y118 HydrophobicContact CG-CE1 4.2Å; V34-Y118 HydrophobicContact CG2-CE1 4.27Å; V34-Y118 HydrophobicContact CG2-CE2 4.25Å; N114-Y118 HydrophobicContact CB-CD2 4.32Å; N114-Y118 HydrophobicContact CB-CE2 3.76Å; N114-Y118 VanDerWaalsContact O-CD2 3.26Å; N114-Y118 WeakPolarHBondContact O-CD2 3.31Å; S115-Y118 PolarHBondContact O-N 3.18Å
119	Y	85.7	Confident	80.5	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-120	152.7	-171.3	-68.3	-86.4	0	0	0	112.8	L10 H12 L14 K15 L30 I111 S115 A123 M125	L10-Y119 WeakPolarHBondContact O-CE1 3.3Å; L10-Y119 PolarHBondContact O-OH 2.88Å; H12-Y119 WeakPolarHBondContact O-CD1 3.27Å; L14-Y119 HydrophobicContact CB-CD1 4.3Å; L14-Y119 HydrophobicContact CB-CE1 4.08Å; L14-Y119 HydrophobicContact CD1-CD1 3.9Å; L14-Y119 HydrophobicContact CD1-CD2 4.39Å; L14-Y119 HydrophobicContact CD1-CE1 3.55Å; L14-Y119 HydrophobicContact CD1-CE2 4.04Å; L14-Y119 HydrophobicContact CD1-CG 4.31Å; L14-Y119 HydrophobicContact CG-CE1 4.43Å; K15-Y119 WeakPolarHBondContact CD-O 3.09Å; K15-Y119 WeakPolarHBondContact CE-O 3.37Å; K15-Y119 PolarHBondContact NZ-O 2.62Å; L30-Y119 WeakPolarHBondContact CD2-OH 3.26Å; I111-Y119 HydrophobicContact CG2-CE2 3.53Å; S115-Y119 WeakPolarHBondContact O-CB 3.45Å; S115-Y119 PolarHBondContact O-N 3.1Å; Y119-A123 HydrophobicContact CD1-CB 3.87Å; Y119-A123 HydrophobicContact CG-CB 4.11Å; Y119-M125 HydrophobicContact CD1-CB 4.05Å; Y119-M125 HydrophobicContact CD1-CG 4.27Å; Y119-M125 HydrophobicContact CD2-CB 3.74Å; Y119-M125 HydrophobicContact CD2-CG 4.42Å; Y119-M125 HydrophobicContact CE1-CB 4.01Å; Y119-M125 HydrophobicContact CE1-CG 3.76Å; Y119-M125 HydrophobicContact CE2-CB 3.72Å; Y119-M125 HydrophobicContact CE2-CG 3.95Å; Y119-M125 HydrophobicContact CG-CB 3.92Å
120	E	83.1	Confident	79.7	Confident	84 Å²	84	56.1 Å²	56.1	39%	0.393	28%	0.282	S	S	.	.			trans	-68.7	162.2	169.9	-59.7	-63	174.2	0	0	110.9	L13 K15 E122 A123 H126	L13-E120 HydrophobicContact CB-CB 4.43Å; L13-E120 PolarHBondContact O-N 3.02Å; L13-E120 VanDerWaalsContact O-N 3.11Å; K15-E120 WeakPolarHBondContact CE-OE2 3.3Å; K15-E120 HydrophobicContact CG-CG 4.11Å; K15-E120 WeakPolarHBondContact CG-OE1 3.41Å; E120-E122 PolarHBondContact O-N 3.48Å; E120-A123 WeakPolarHBondContact O-CB 3.19Å; E120-A123 PolarHBondContact O-N 3.39Å; E120-H126 WeakPolarHBondContact O-CB 3.07Å
121	R	76.1	Confident	79.1	Confident	201 Å²	201	54.5 Å²	54.5	76%	0.758	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-24.2	-171.2	-156.4	175.8	73.9	141.5	3.6	112.7	H126	R121-H126 VanDerWaalsContact CA-CD2 3.48Å; R121-H126 WeakPolarHBondContact CA-CD2 3.47Å; R121-H126 PolarHBondContact O-CD2 3.44Å
122	E	74.7	Confident	78.5	Confident	122 Å²	122	56.8 Å²	56.8	57%	0.57	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	3.6	179.2	-52.9	75.6	-161	0	0	113	L13 E120	L13-E122 HydrophobicContact CD1-CB 3.93Å; L13-E122 WeakPolarHBondContact CD1-O 3.4Å; E120-E122 PolarHBondContact O-N 3.48Å
123	A	77.1	Confident	77.7	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.008	30%	0.297	C	S	.	.	S	Bend	trans	-77.5	142.4	-177.9	0	0	0	0	0	112.8	L13 Y119 E120 M125 H126 D127	L13-A123 HydrophobicContact CB-CB 3.8Å; Y119-A123 HydrophobicContact CD1-CB 3.87Å; Y119-A123 HydrophobicContact CG-CB 4.11Å; E120-A123 WeakPolarHBondContact O-CB 3.19Å; E120-A123 PolarHBondContact O-N 3.39Å; A123-M125 PolarHBondContact O-N 2.93Å; A123-M125 VanDerWaalsContact O-N 3.16Å; A123-H126 HydrophobicContact CB-CB 4.26Å; A123-H126 WeakPolarHBondContact O-CA 3.38Å; A123-H126 WeakPolarHBondContact O-CB 3.35Å; A123-H126 PolarHBondContact O-N 3.22Å; A123-D127 PolarHBondContact O-N 3Å; A123-D127 VanDerWaalsContact O-N 3.1Å
124	L	75.3	Confident	76.8	Confident	32 Å²	32	53.7 Å²	53.7	17%	0.168	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-44.3	173.8	-174.7	76.1	0	0	0	113.4	C9 H12 H126 D127 F130 G131 L134 L503	C9-L124 HydrophobicContact CB-CD2 3.83Å; H12-L124 PolarHBondContact ND1-N 2.85Å; L124-H126 VanDerWaalsContact C-N 3.25Å; L124-H126 PolarHBondContact O-N 3.29Å; L124-D127 PolarHBondContact O-N 3.26Å; L124-F130 HydrophobicContact CD1-CB 3.69Å; L124-F130 HydrophobicContact CD1-CG 4.44Å; L124-F130 HydrophobicContact CG-CB 4.47Å; L124-G131 PolarHBondContact O-N 3.09Å; L124-L134 HydrophobicContact CD2-CD2 4.33Å; L124-L503 HydrophobicContact CD1-CD1 3.95Å; L124-L503 HydrophobicContact CD1-CD2 3.56Å; L124-L503 HydrophobicContact CD1-CG 4.39Å
125	M	77.3	Confident	76.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-20.6	-179	-61.5	-54	-64	0	0	113.3	L10 V108 I111 V112 S115 Y119 A123 L134	L10-M125 HydrophobicContact CD2-CE 3.76Å; L10-M125 HydrophobicContact CD2-CG 4.43Å; L10-M125 HydrophobicContact CD2-SD 4.03Å; V108-M125 HydrophobicContact CG1-CE 3.91Å; I111-M125 HydrophobicContact CB-CE 4.5Å; I111-M125 HydrophobicContact CG2-CE 3.96Å; V112-M125 HydrophobicContact CG2-CE 3.38Å; S115-M125 WeakPolarHBondContact CB-O 3.35Å; S115-M125 PolarHBondContact OG-O 3.24Å; Y119-M125 HydrophobicContact CD1-CB 4.05Å; Y119-M125 HydrophobicContact CD1-CG 4.27Å; Y119-M125 HydrophobicContact CD2-CB 3.74Å; Y119-M125 HydrophobicContact CD2-CG 4.42Å; Y119-M125 HydrophobicContact CE1-CB 4.01Å; Y119-M125 HydrophobicContact CE1-CG 3.76Å; Y119-M125 HydrophobicContact CE2-CB 3.72Å; Y119-M125 HydrophobicContact CE2-CG 3.95Å; Y119-M125 HydrophobicContact CG-CB 3.92Å; A123-M125 PolarHBondContact O-N 2.93Å; A123-M125 VanDerWaalsContact O-N 3.16Å; M125-L134 HydrophobicContact CE-CD2 4.32Å; M125-L134 HydrophobicContact SD-CD2 3.5Å; M125-L134 VanDerWaalsContact SD-CD2 3.5Å
126	H	78.6	Confident	75.3	Confident	51 Å²	51	54.6 Å²	54.6	24%	0.236	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-16.2	178.5	-166.8	58.4	0	0	0	113.2	S115 S116 E120 R121 A123 L124	S115-H126 WeakPolarHBondContact OG-CA 3.42Å; S115-H126 PolarHBondContact OG-ND1 3.08Å; S116-H126 WeakPolarHBondContact CA-ND1 3.32Å; S116-H126 PolarHBondContact N-ND1 3.07Å; E120-H126 WeakPolarHBondContact O-CB 3.07Å; R121-H126 VanDerWaalsContact CA-CD2 3.48Å; R121-H126 WeakPolarHBondContact CA-CD2 3.47Å; R121-H126 PolarHBondContact O-CD2 3.44Å; A123-H126 HydrophobicContact CB-CB 4.26Å; A123-H126 WeakPolarHBondContact O-CA 3.38Å; A123-H126 WeakPolarHBondContact O-CB 3.35Å; A123-H126 PolarHBondContact O-N 3.22Å; L124-H126 VanDerWaalsContact C-N 3.25Å; L124-H126 PolarHBondContact O-N 3.29Å
127	D	79.8	Confident	74.3	Confident	51 Å²	51	53.4 Å²	53.4	27%	0.273	27%	0.273	S	S	.	.	S	Bend	trans	-65.7	129.5	176.6	-174	-78.4	0	0	0	110.6	A123 L124 V129 F130 G131 P132	A123-D127 PolarHBondContact O-N 3Å; A123-D127 VanDerWaalsContact O-N 3.1Å; L124-D127 PolarHBondContact O-N 3.26Å; D127-V129 PolarHBondContact O-N 3.44Å; D127-V129 VanDerWaalsContact O-N 3.1Å; D127-V129 WeakPolarHBondContact OD1-CA 3.36Å; D127-V129 WeakPolarHBondContact OD1-CB 3.28Å; D127-V129 PolarHBondContact OD1-N 3.24Å; D127-F130 HydrophobicContact CB-CB 4.01Å; D127-F130 HydrophobicContact CB-CD2 3.79Å; D127-F130 HydrophobicContact CB-CG 4.32Å; D127-F130 WeakPolarHBondContact OD1-CD2 3.43Å; D127-F130 WeakPolarHBondContact OD1-CG 3.47Å; D127-F130 PolarHBondContact OD1-N 3.32Å; D127-F130 WeakPolarHBondContact OD2-CD2 3.24Å; D127-G131 PolarHBondContact O-N 3.25Å; D127-P132 WeakPolarHBondContact O-CD 3.36Å
128	P	68.8	Low	73.4	Confident	111 Å²	111	47.7 Å²	47.7	72%	0.721	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-11.7	-174	28.1	-36	0	0	0	113.8	P132	P128-P132 WeakPolarHBondContact O-CG 3.37Å
129	V	64.6	Low	72.5	Confident	80 Å²	80	50.6 Å²	50.6	49%	0.485	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-48	178.6	179.3	0	0	0	0	110.1	D127 I133	D127-V129 PolarHBondContact O-N 3.44Å; D127-V129 VanDerWaalsContact O-N 3.1Å; D127-V129 WeakPolarHBondContact OD1-CA 3.36Å; D127-V129 WeakPolarHBondContact OD1-CB 3.28Å; D127-V129 PolarHBondContact OD1-N 3.24Å; V129-I133 HydrophobicContact CG1-CD1 3.58Å; V129-I133 WeakPolarHBondContact O-CB 3.34Å; V129-I133 WeakPolarHBondContact O-CD1 3.46Å; V129-I133 WeakPolarHBondContact O-CG1 3.46Å; V129-I133 PolarHBondContact O-N 2.83Å; V129-I133 VanDerWaalsContact O-N 3.08Å
130	F	67.1	Low	71.1	Confident	53 Å²	53	52.9 Å²	52.9	23%	0.232	29%	0.29	C	S	.	.	H	α-helix	trans	-79.8	-33.2	-170.1	-55.1	-54.8	0	0	0	114.8	L124 D127 I133 L134 L503	L124-F130 HydrophobicContact CD1-CB 3.69Å; L124-F130 HydrophobicContact CD1-CG 4.44Å; L124-F130 HydrophobicContact CG-CB 4.47Å; D127-F130 HydrophobicContact CB-CB 4.01Å; D127-F130 HydrophobicContact CB-CD2 3.79Å; D127-F130 HydrophobicContact CB-CG 4.32Å; D127-F130 WeakPolarHBondContact OD1-CD2 3.43Å; D127-F130 WeakPolarHBondContact OD1-CG 3.47Å; D127-F130 PolarHBondContact OD1-N 3.32Å; D127-F130 WeakPolarHBondContact OD2-CD2 3.24Å; F130-I133 HydrophobicContact CD1-CD1 4.45Å; F130-L134 WeakPolarHBondContact O-CB 3.41Å; F130-L134 PolarHBondContact O-N 3.49Å; F130-L503 HydrophobicContact CB-CD1 4.06Å; F130-L503 HydrophobicContact CB-CD2 3.75Å; F130-L503 HydrophobicContact CB-CG 4.3Å; F130-L503 HydrophobicContact CD1-CD1 3.46Å; F130-L503 VanDerWaalsContact CD1-CD1 3.46Å; F130-L503 HydrophobicContact CD1-CD2 3.34Å; F130-L503 HydrophobicContact CD1-CG 3.24Å; F130-L503 HydrophobicContact CD2-CD2 3.05Å; F130-L503 HydrophobicContact CD2-CG 3.97Å; F130-L503 HydrophobicContact CE1-CB 4.45Å; F130-L503 HydrophobicContact CE1-CD1 3.98Å; F130-L503 HydrophobicContact CE1-CD2 3.54Å; F130-L503 HydrophobicContact CE1-CG 3.29Å; F130-L503 HydrophobicContact CE2-CD2 3.28Å; F130-L503 HydrophobicContact CE2-CG 4.01Å; F130-L503 HydrophobicContact CG-CD1 3.85Å; F130-L503 HydrophobicContact CG-CD2 3.1Å; F130-L503 HydrophobicContact CG-CG 3.61Å; F130-L503 HydrophobicContact CZ-CD2 3.49Å; F130-L503 VanDerWaalsContact CZ-CD2 3.49Å; F130-L503 HydrophobicContact CZ-CG 3.67Å
131	G	74.1	Confident	69.5	Low	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.8	-54.5	171.2	0	0	0	0	0	111.5	V112 L124 D127 I133 L134 A135	V112-G131 VanDerWaalsContact CG2-O 3.3Å; V112-G131 WeakPolarHBondContact CG2-O 3.25Å; L124-G131 PolarHBondContact O-N 3.09Å; D127-G131 PolarHBondContact O-N 3.25Å; G131-I133 PolarHBondContact O-N 3.19Å; G131-L134 PolarHBondContact O-N 2.68Å; G131-A135 PolarHBondContact O-N 2.68Å
132	P	74.2	Confident	68.2	Low	48 Å²	48	41.3 Å²	41.3	31%	0.312	25%	0.248	S	C	.	.	H	α-helix	trans	-60.9	-38	176.8	-28.1	37.1	0	0	0	114.1	V112 D127 P128 L134 A135 A136	V112-P132 HydrophobicContact CG1-CG 3.79Å; D127-P132 WeakPolarHBondContact O-CD 3.36Å; P128-P132 WeakPolarHBondContact O-CG 3.37Å; P132-L134 VanDerWaalsContact C-N 3.35Å; P132-L134 PolarHBondContact O-N 3.24Å; P132-A135 PolarHBondContact O-N 3.23Å; P132-A136 WeakPolarHBondContact O-CB 3.24Å; P132-A136 PolarHBondContact O-N 3.31Å
133	I	66.8	Low	66.8	Low	43 Å²	43	39 Å²	39	22%	0.221	25%	0.25	C	S	.	.	H	α-helix	trans	-62	-42.4	174.9	-73	169.2	0	0	0	111.1	V129 F130 G131 A136 L137 M510	V129-I133 HydrophobicContact CG1-CD1 3.58Å; V129-I133 WeakPolarHBondContact O-CB 3.34Å; V129-I133 WeakPolarHBondContact O-CD1 3.46Å; V129-I133 WeakPolarHBondContact O-CG1 3.46Å; V129-I133 PolarHBondContact O-N 2.83Å; V129-I133 VanDerWaalsContact O-N 3.08Å; F130-I133 HydrophobicContact CD1-CD1 4.45Å; G131-I133 PolarHBondContact O-N 3.19Å; I133-A136 PolarHBondContact O-N 3.36Å; I133-L137 HydrophobicContact CG2-CD1 4.08Å; I133-L137 HydrophobicContact CG2-CG 4.36Å; I133-L137 VanDerWaalsContact O-CB 3.31Å; I133-L137 WeakPolarHBondContact O-CB 3.27Å; I133-L137 VanDerWaalsContact O-CG 3.25Å; I133-L137 WeakPolarHBondContact O-CG 3.27Å; I133-L137 PolarHBondContact O-N 3.2Å; I133-M510 HydrophobicContact CG2-CE 4.12Å; I133-M510 HydrophobicContact CG2-SD 3.88Å
134	L	68.1	Low	65.4	Low	7 Å²	7	42.9 Å²	42.9	4%	0.037	27%	0.27	C	S	.	.	H	α-helix	trans	-63.4	-41.9	176.5	-179.8	67.5	0	0	0	111.8	M1 C9 L124 M125 F130 G131 P132 L137 L138	M1-L134 HydrophobicContact CE-CD1 3.64Å; M1-L134 HydrophobicContact SD-CD1 4.15Å; C9-L134 HydrophobicContact CB-CD2 3.64Å; L124-L134 HydrophobicContact CD2-CD2 4.33Å; M125-L134 HydrophobicContact CE-CD2 4.32Å; M125-L134 HydrophobicContact SD-CD2 3.5Å; M125-L134 VanDerWaalsContact SD-CD2 3.5Å; F130-L134 WeakPolarHBondContact O-CB 3.41Å; F130-L134 PolarHBondContact O-N 3.49Å; G131-L134 PolarHBondContact O-N 2.68Å; P132-L134 VanDerWaalsContact C-N 3.35Å; P132-L134 PolarHBondContact O-N 3.24Å; L134-L137 PolarHBondContact O-N 3.11Å; L134-L138 WeakPolarHBondContact O-CG 3.43Å; L134-L138 PolarHBondContact O-N 2.86Å
135	A	71.9	Confident	63.8	Low	1 Å²	1	45.3 Å²	45.3	1%	0.008	28%	0.281	C	S	.	.	H	α-helix	trans	-65.1	-43.8	176.5	0	0	0	0	0	111.8	V108 Q109 V112 G131 P132 L137 L138 V139	V108-A135 HydrophobicContact CG1-CB 4.24Å; Q109-A135 HydrophobicContact CB-CB 4.27Å; V112-A135 HydrophobicContact CG2-CB 4.23Å; G131-A135 PolarHBondContact O-N 2.68Å; P132-A135 PolarHBondContact O-N 3.23Å; A135-L137 VanDerWaalsContact C-N 3.35Å; A135-L137 PolarHBondContact O-N 3.5Å; A135-L138 PolarHBondContact O-N 3.13Å; A135-L138 VanDerWaalsContact O-N 3.16Å; A135-V139 PolarHBondContact O-N 3.5Å
136	A	67.6	Low	62.1	Low	61 Å²	61	50.9 Å²	50.9	50%	0.504	30%	0.303	S	S	.	.	H	α-helix	trans	-63.5	-37.7	175.8	0	0	0	0	0	112.7	P132 I133 L138 V139	P132-A136 WeakPolarHBondContact O-CB 3.24Å; P132-A136 PolarHBondContact O-N 3.31Å; I133-A136 PolarHBondContact O-N 3.36Å; A136-L138 PolarHBondContact O-N 3.42Å; A136-V139 WeakPolarHBondContact O-CB 3.47Å; A136-V139 PolarHBondContact O-N 3.06Å; A136-V139 VanDerWaalsContact O-N 3.14Å
137	L	63.8	Low	60.2	Low	44 Å²	44	52.1 Å²	52.1	23%	0.23	31%	0.314	C	S	.	.	H	α-helix	trans	-62.9	-27.4	175.1	-85.2	175.4	0	0	0	113.4	I133 L134 A135 P141 L506 M510	I133-L137 HydrophobicContact CG2-CD1 4.08Å; I133-L137 HydrophobicContact CG2-CG 4.36Å; I133-L137 VanDerWaalsContact O-CB 3.31Å; I133-L137 WeakPolarHBondContact O-CB 3.27Å; I133-L137 VanDerWaalsContact O-CG 3.25Å; I133-L137 WeakPolarHBondContact O-CG 3.27Å; I133-L137 PolarHBondContact O-N 3.2Å; L134-L137 PolarHBondContact O-N 3.11Å; A135-L137 VanDerWaalsContact C-N 3.35Å; A135-L137 PolarHBondContact O-N 3.5Å; L137-P141 WeakPolarHBondContact O-CD 3.45Å; L137-L506 HydrophobicContact CD1-CD2 4.13Å; L137-M510 HydrophobicContact CD1-CE 4.18Å; L137-M510 HydrophobicContact CD1-SD 3.61Å; L137-M510 HydrophobicContact CD2-CE 3.34Å; L137-M510 HydrophobicContact CD2-CG 4.02Å; L137-M510 HydrophobicContact CD2-SD 3.66Å; L137-M510 HydrophobicContact CG-CE 3.7Å; L137-M510 HydrophobicContact CG-SD 3.83Å
138	L	64.8	Low	58.1	Low	2 Å²	2	55.1 Å²	55.1	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-80	-18.8	177.5	-69.1	171.1	0	0	0	112.3	M1 I6 L104 D105 V108 L134 A135 A136 G140 P141 C142	M1-L138 HydrophobicContact SD-CD2 4.46Å; I6-L138 HydrophobicContact CD1-CD2 3.67Å; I6-L138 HydrophobicContact CG1-CD2 4.13Å; L104-L138 HydrophobicContact CD2-CD2 4.39Å; D105-L138 HydrophobicContact CB-CB 4.47Å; V108-L138 HydrophobicContact CB-CD1 3.8Å; V108-L138 HydrophobicContact CG1-CD1 3.78Å; V108-L138 HydrophobicContact CG2-CD1 3.64Å; L134-L138 WeakPolarHBondContact O-CG 3.43Å; L134-L138 PolarHBondContact O-N 2.86Å; A135-L138 PolarHBondContact O-N 3.13Å; A135-L138 VanDerWaalsContact O-N 3.16Å; A136-L138 PolarHBondContact O-N 3.42Å; L138-G140 VanDerWaalsContact C-N 3.34Å; L138-G140 PolarHBondContact O-N 3.45Å; L138-P141 WeakPolarHBondContact O-CD 3.46Å; L138-C142 WeakPolarHBondContact O-CB 3.47Å; L138-C142 PolarHBondContact O-N 3.27Å; L138-C142 PolarHBondContact O-SG 2.88Å
139	V	64.2	Low	56.5	Low	70 Å²	70	57.4 Å²	57.4	42%	0.424	33%	0.33	S	S	.	.	H	α-helix	trans	-60.2	-42.1	176.2	-179.3	0	0	0	0	111.3	D105 A135 A136 C142 A143	D105-V139 HydrophobicContact CB-CG2 4.34Å; A135-V139 PolarHBondContact O-N 3.5Å; A136-V139 WeakPolarHBondContact O-CB 3.47Å; A136-V139 PolarHBondContact O-N 3.06Å; A136-V139 VanDerWaalsContact O-N 3.14Å; V139-C142 PolarHBondContact O-N 3Å; V139-A143 WeakPolarHBondContact O-CA 3.41Å; V139-A143 WeakPolarHBondContact O-CB 3.24Å; V139-A143 PolarHBondContact O-N 3.34Å
140	G	56.1	Low	54.9	Low	49 Å²	49	60.9 Å²	60.9	51%	0.505	34%	0.338	S	S	.	.	H	α-helix	trans	-60.5	-53.2	178.7	0	0	0	0	0	113.8	L138	L138-G140 VanDerWaalsContact C-N 3.34Å; L138-G140 PolarHBondContact O-N 3.45Å
141	P	49.1	Very low	53.5	Low	37 Å²	37	62.6 Å²	62.6	24%	0.24	35%	0.353	C	S	.	.	H	α-helix	trans	-64.2	-36.9	171.7	-24.3	34.5	0	0	0	114.3	L137 L138 Y146	L137-P141 WeakPolarHBondContact O-CD 3.45Å; L138-P141 WeakPolarHBondContact O-CD 3.46Å; P141-Y146 VanDerWaalsContact O-CE2 3.23Å; P141-Y146 WeakPolarHBondContact O-CE2 3.34Å
142	C	47.5	Very low	51.6	Low	5 Å²	5	66.7 Å²	66.7	3%	0.034	38%	0.382	C	S	.	.	H	α-helix	trans	-82.8	-17.4	-176.9	-59	0	0	0	0	113.8	D105 L138 V139	D105-C142 HydrophobicContact CB-CB 3.9Å; L138-C142 WeakPolarHBondContact O-CB 3.47Å; L138-C142 PolarHBondContact O-N 3.27Å; L138-C142 PolarHBondContact O-SG 2.88Å; V139-C142 PolarHBondContact O-N 3Å
143	A	46.8	Very low	49.6	Very low	73 Å²	73	68.9 Å²	68.9	60%	0.603	39%	0.391	S	S	*	.	H	α-helix	trans	-80.9	-17	171.8	0	0	0	0	0	112.8	V139 E145	V139-A143 WeakPolarHBondContact O-CA 3.41Å; V139-A143 WeakPolarHBondContact O-CB 3.24Å; V139-A143 PolarHBondContact O-N 3.34Å; A143-E145 PolarHBondContact O-N 2.92Å
144	L	47.1	Very low	48	Very low	82 Å²	82	74.3 Å²	74.3	43%	0.429	42%	0.415	S	S	.	.	S	Bend	trans	-69.3	123.4	171.5	-70.7	166.9	0	0	0	109	Y146	L144-Y146 WeakPolarHBondContact O-CD2 3.44Å; L144-Y146 PolarHBondContact O-N 3.38Å
145	E	40.8	Very low	46.2	Very low	84 Å²	84	80.5 Å²	80.5	39%	0.393	44%	0.442	S	S	.	.			trans	-63.7	96.8	177.1	-57.3	-156	102.8	0	0	111.3	K102 A143 T147 K148	K102-E145 IonicContact NZ-OE1 3.31Å; K102-E145 PolarHBondContact NZ-OE1 3.2Å; A143-E145 PolarHBondContact O-N 2.92Å; E145-T147 PolarHBondContact O-N 3.11Å; E145-K148 PolarHBondContact O-N 3.35Å; E145-K148 VanDerWaalsContact OE2-CD 3.25Å; E145-K148 WeakPolarHBondContact OE2-CD 3.11Å; E145-K148 WeakPolarHBondContact OE2-CE 3.26Å; E145-K148 IonicContact OE2-NZ 2.61Å; E145-K148 PolarHBondContact OE2-NZ 3.43Å
146	Y	42.6	Very low	44.4	Very low	116 Å²	116	86.3 Å²	86.3	46%	0.455	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-5.6	173.2	-79.5	-77.3	0	0	0	113.8	L99 P141 L144	L99-Y146 HydrophobicContact CB-CD2 4.44Å; L99-Y146 HydrophobicContact CD2-CE2 4.13Å; P141-Y146 VanDerWaalsContact O-CE2 3.23Å; P141-Y146 WeakPolarHBondContact O-CE2 3.34Å; L144-Y146 WeakPolarHBondContact O-CD2 3.44Å; L144-Y146 PolarHBondContact O-N 3.38Å
147	T	38.1	Very low	42.7	Very low	78 Å²	78	90.6 Å²	90.6	48%	0.479	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-16.1	174.7	44.1	0	0	0	0	113.6	F100 E145	F100-T147 HydrophobicContact CE1-CG2 4.4Å; F100-T147 HydrophobicContact CE2-CG2 4.36Å; F100-T147 HydrophobicContact CZ-CG2 4.15Å; E145-T147 PolarHBondContact O-N 3.11Å
148	K	36.7	Very low	41.1	Very low	114 Å²	114	94 Å²	94	50%	0.496	50%	0.502	S	S	.	.	S	Bend	trans	-94.5	111.4	162.4	-70.4	-178.8	-175.1	153.1	0	106.1	E145 K150	E145-K148 PolarHBondContact O-N 3.35Å; E145-K148 VanDerWaalsContact OE2-CD 3.25Å; E145-K148 WeakPolarHBondContact OE2-CD 3.11Å; E145-K148 WeakPolarHBondContact OE2-CE 3.26Å; E145-K148 IonicContact OE2-NZ 2.61Å; E145-K148 PolarHBondContact OE2-NZ 3.43Å; K148-K150 PolarHBondContact O-N 3.02Å
149	L	34.4	Very low	39.5	Very low	159 Å²	159	96.1 Å²	96.1	83%	0.832	52%	0.516	S	S	*	.			trans	-47.7	118.5	150	-127.6	94.7	0	0	0	104.2	T151	L149-T151 PolarHBondContact O-N 3.46Å
150	K	30.6	Very low	38.1	Very low	152 Å²	152	95.4 Å²	95.4	66%	0.661	52%	0.515	S	S	*	.			trans	-56.8	96.8	172.5	-78.6	-177	173.5	-173.5	0	106.3	K148	K148-K150 PolarHBondContact O-N 3.02Å
151	T	37.4	Very low	37	Very low	89 Å²	89	96.7 Å²	96.7	55%	0.546	52%	0.521	S	S	.	.			trans	-66.9	158.4	162.3	51.9	0	0	0	0	106.7	L149 D153	L149-T151 PolarHBondContact O-N 3.46Å; T151-D153 PolarHBondContact O-N 3.15Å
152	S	34.3	Very low	36.2	Very low	87 Å²	87	99.7 Å²	99.7	61%	0.608	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-52.9	-3.8	-174.9	40.2	0	0	0	0	115.9
153	D	33.6	Very low	35.6	Very low	94 Å²	94	101.3 Å²	101.3	50%	0.503	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-106.8	2.4	-159.7	-39.8	-40.5	0	0	0	112.7	T151 W156	T151-D153 PolarHBondContact O-N 3.15Å; D153-W156 VanDerWaalsContact O-CD1 3.3Å
154	H	31.8	Very low	35	Very low	156 Å²	156	102.3 Å²	102.3	72%	0.722	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-109.5	20.6	167.4	-81.7	-21.5	0	0	0	113.3
155	F	31.1	Very low	34.6	Very low	138 Å²	138	101.6 Å²	101.6	61%	0.605	54%	0.535	S	S	*	.			trans	-88.2	0.3	168.5	-104.2	-88.3	0	0	0	113.6	T157 D158	F155-T157 VanDerWaalsContact C-N 3.32Å; F155-T157 PolarHBondContact O-N 2.83Å; F155-D158 PolarHBondContact O-N 3.31Å; F155-D158 VanDerWaalsContact O-N 3.12Å; F155-D158 VanDerWaalsContact O-O 3.11Å
156	W	33.1	Very low	34.5	Very low	123 Å²	123	101.7 Å²	101.7	47%	0.466	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	69.9	-171.8	-61.1	116	0	0	0	114.2	D153 P159 E163	D153-W156 VanDerWaalsContact O-CD1 3.3Å; W156-P159 HydrophobicContact CZ3-CB 3.98Å; W156-E163 HydrophobicContact CH2-CB 4.02Å; W156-E163 HydrophobicContact CH2-CG 3.77Å; W156-E163 VanDerWaalsContact CH2-OE1 3.29Å; W156-E163 WeakPolarHBondContact CH2-OE1 3.41Å; W156-E163 WeakPolarHBondContact CH2-OE2 3.34Å; W156-E163 HydrophobicContact CZ3-CG 4.47Å; W156-E163 WeakPolarHBondContact CZ3-OE2 3.39Å
157	T	32.1	Very low	34.1	Very low	150 Å²	150	102.9 Å²	102.9	92%	0.92	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn		-129.2	9.2	126.8	45.2	0	0	0	0	111.9	F155	F155-T157 VanDerWaalsContact C-N 3.32Å; F155-T157 PolarHBondContact O-N 2.83Å
158	D	32.1	Very low	34.1	Very low	115 Å²	115	107.3 Å²	107.3	62%	0.615	55%	0.554	S	S	*	*	S	Bend	trans	-140.9	124.7	169.6	-126.3	-9.9	0	0	0	109.6	F155 S160	F155-D158 PolarHBondContact O-N 3.31Å; F155-D158 VanDerWaalsContact O-N 3.12Å; F155-D158 VanDerWaalsContact O-O 3.11Å; D158-S160 PolarHBondContact O-N 2.94Å
159	P	30.8	Very low	34	Very low	47 Å²	47	110.3 Å²	110.3	31%	0.305	56%	0.562	S	S	.	*			trans	-66	129.2	-179.1	26.4	-32.1	0	0	0	110.8	W156 E163	W156-P159 HydrophobicContact CZ3-CB 3.98Å; P159-E163 WeakPolarHBondContact CB-OE2 3.38Å
160	S	35.1	Very low	33.9	Very low	56 Å²	56	108.1 Å²	108.1	39%	0.392	55%	0.55	S	S	.	*			trans	-63.2	149.2	175.5	80.5	0	0	0	0	110.4	D158 N162 E163 L164	D158-S160 PolarHBondContact O-N 2.94Å; S160-N162 PolarHBondContact O-N 3.42Å; S160-E163 WeakPolarHBondContact O-CA 3.43Å; S160-E163 WeakPolarHBondContact O-CB 3.3Å; S160-E163 PolarHBondContact O-N 3.31Å; S160-L164 PolarHBondContact O-N 2.8Å
161	A	31.3	Very low	33.9	Very low	76 Å²	76	109.2 Å²	109.2	63%	0.628	56%	0.558	S	S	*	*	H	α-helix	trans	-53.9	-23.5	178.3	0	0	0	0	0	113.4	V165	A161-V165 WeakPolarHBondContact O-CB 3.29Å; A161-V165 WeakPolarHBondContact O-CG2 3.43Å; A161-V165 PolarHBondContact O-N 3.3Å; A161-V165 VanDerWaalsContact O-N 3.09Å
162	N	33.5	Very low	33.5	Very low	100 Å²	100	107.9 Å²	107.9	54%	0.535	56%	0.561	S	S	.	*	H	α-helix	trans	-75.3	-28.4	175.9	-154.2	36.3	0	0	0	112.8	S160 V165 Q166	S160-N162 PolarHBondContact O-N 3.42Å; N162-V165 PolarHBondContact O-N 3.48Å; N162-Q166 WeakPolarHBondContact O-CB 3.45Å; N162-Q166 WeakPolarHBondContact O-CG 3.31Å; N162-Q166 PolarHBondContact O-N 3.27Å
163	E	35.1	Very low	33.1	Very low	39 Å²	39	108.3 Å²	108.3	18%	0.182	57%	0.57	C	S	.	*	H	α-helix	trans	-78.2	-36	175.3	-149.9	-152.2	-164.3	0	0	111.5	W156 P159 S160 V165 Q166 R167	W156-E163 HydrophobicContact CH2-CB 4.02Å; W156-E163 HydrophobicContact CH2-CG 3.77Å; W156-E163 VanDerWaalsContact CH2-OE1 3.29Å; W156-E163 WeakPolarHBondContact CH2-OE1 3.41Å; W156-E163 WeakPolarHBondContact CH2-OE2 3.34Å; W156-E163 HydrophobicContact CZ3-CG 4.47Å; W156-E163 WeakPolarHBondContact CZ3-OE2 3.39Å; P159-E163 WeakPolarHBondContact CB-OE2 3.38Å; S160-E163 WeakPolarHBondContact O-CA 3.43Å; S160-E163 WeakPolarHBondContact O-CB 3.3Å; S160-E163 PolarHBondContact O-N 3.31Å; E163-V165 VanDerWaalsContact C-N 3.28Å; E163-V165 PolarHBondContact O-N 2.84Å; E163-Q166 PolarHBondContact O-N 2.91Å; E163-R167 WeakPolarHBondContact O-CG 3.41Å; E163-R167 PolarHBondContact O-N 3.39Å; E163-R167 IonicContact OE1-NH2 3.68Å; E163-R167 PolarHBondContact OE1-NH2 2.9Å; E163-R167 IonicContact OE2-CZ 2.84Å; E163-R167 IonicContact OE2-NH2 3.67Å; E163-R167 PolarHBondContact OE2-NH2 3.49Å
164	L	33.8	Very low	32.8	Very low	93 Å²	93	112 Å²	112	49%	0.487	58%	0.584	S	S	.	*	H	α-helix	trans	-62.7	-34.9	168	-80	162.5	0	0	0	112.2	S160 H168	S160-L164 PolarHBondContact O-N 2.8Å; L164-H168 PolarHBondContact O-N 3.41Å; L164-H168 PolarHBondContact O-ND1 3.47Å
165	V	39	Very low	32.5	Very low	67 Å²	67	115 Å²	115	41%	0.406	59%	0.589	S	S	.	*	H	α-helix	trans	-78.7	-29.7	174.7	170.8	0	0	0	0	112.1	A161 N162 E163 H168 R169	A161-V165 WeakPolarHBondContact O-CB 3.29Å; A161-V165 WeakPolarHBondContact O-CG2 3.43Å; A161-V165 PolarHBondContact O-N 3.3Å; A161-V165 VanDerWaalsContact O-N 3.09Å; N162-V165 PolarHBondContact O-N 3.48Å; E163-V165 VanDerWaalsContact C-N 3.28Å; E163-V165 PolarHBondContact O-N 2.84Å; V165-H168 PolarHBondContact O-N 2.94Å; V165-R169 PolarHBondContact O-N 2.89Å
166	Q	38.1	Very low	32.1	Very low	86 Å²	86	114.3 Å²	114.3	40%	0.402	60%	0.601	S	S	.	*	H	α-helix	trans	-73.2	-36.4	172.5	-87.6	178.6	-27.3	0	0	112.5	N162 E163 H168 R169 I170	N162-Q166 WeakPolarHBondContact O-CB 3.45Å; N162-Q166 WeakPolarHBondContact O-CG 3.31Å; N162-Q166 PolarHBondContact O-N 3.27Å; E163-Q166 PolarHBondContact O-N 2.91Å; Q166-H168 PolarHBondContact O-N 3.22Å; Q166-R169 CarbonylContact O-C 3.38Å; Q166-R169 WeakPolarHBondContact O-CA 3.37Å; Q166-R169 PolarHBondContact O-N 2.72Å; Q166-I170 VanDerWaalsContact O-CG1 3.29Å; Q166-I170 WeakPolarHBondContact O-CG1 3.43Å; Q166-I170 PolarHBondContact O-N 2.91Å; Q166-I170 VanDerWaalsContact O-N 3.08Å
167	R	34.4	Very low	31.8	Very low	141 Å²	141	114.8 Å²	114.8	53%	0.532	61%	0.612	S	S	.	*	H	α-helix	trans	-61.2	-28.6	170.6	-73.5	-176.6	-174	153.2	11.9	112.7	E163	E163-R167 WeakPolarHBondContact O-CG 3.41Å; E163-R167 PolarHBondContact O-N 3.39Å; E163-R167 IonicContact OE1-NH2 3.68Å; E163-R167 PolarHBondContact OE1-NH2 2.9Å; E163-R167 IonicContact OE2-CZ 2.84Å; E163-R167 IonicContact OE2-NH2 3.67Å; E163-R167 PolarHBondContact OE2-NH2 3.49Å
168	H	37.6	Very low	31.4	Very low	171 Å²	171	114.4 Å²	114.4	79%	0.792	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-11	168.8	-86.8	82.4	0	0	0	114.8	L164 V165 Q166	L164-H168 PolarHBondContact O-N 3.41Å; L164-H168 PolarHBondContact O-ND1 3.47Å; V165-H168 PolarHBondContact O-N 2.94Å; Q166-H168 PolarHBondContact O-N 3.22Å
169	R	35.4	Very low	31	Very low	177 Å²	177	115.4 Å²	115.4	67%	0.668	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	-4.8	177.6	-81	-178.3	170	139.3	-1.1	114.4	V165 Q166	V165-R169 PolarHBondContact O-N 2.89Å; Q166-R169 CarbonylContact O-C 3.38Å; Q166-R169 WeakPolarHBondContact O-CA 3.37Å; Q166-R169 PolarHBondContact O-N 2.72Å
170	I	30.8	Very low	30.7	Very low	114 Å²	114	118 Å²	118	59%	0.585	63%	0.634	S	S	*	*	S	Bend	trans	-83.7	-8.1	-178.3	-70	163	0	0	0	113.4	Q166 G172	Q166-I170 VanDerWaalsContact O-CG1 3.29Å; Q166-I170 WeakPolarHBondContact O-CG1 3.43Å; Q166-I170 PolarHBondContact O-N 2.91Å; Q166-I170 VanDerWaalsContact O-N 3.08Å; I170-G172 VanDerWaalsContact C-N 3.34Å; I170-G172 PolarHBondContact O-N 3.43Å
171	H	31	Very low	30.3	Very low	175 Å²	175	121.2 Å²	121.2	81%	0.81	66%	0.656	S	S	*	*	S	Bend	trans	-91.7	42.5	169	-79.5	-60.6	0	0	0	114.5
172	G	29	Very low	30	Very low	60 Å²	60	121.3 Å²	121.3	62%	0.619	67%	0.665	S	S	*	*			trans	-165.3	68.1	175.3	0	0	0	0	0	113.5	I170	I170-G172 VanDerWaalsContact C-N 3.34Å; I170-G172 PolarHBondContact O-N 3.43Å
173	A	26.3	Very low	29.7	Very low	97 Å²	97	127.4 Å²	127.4	80%	0.802	68%	0.68	S	S	*	*			trans	-68.1	135.3	172.7	0	0	0	0	0	111.9
174	H	27	Very low	29.4	Very low	172 Å²	172	136.2 Å²	136.2	80%	0.796	71%	0.712	S	S	*	*			trans	4.1	149.7	144.3	-68.8	3.2	0	0	0	119.2
175	R	26.4	Very low	29.2	Very low	219 Å²	219	137.5 Å²	137.5	83%	0.826	73%	0.726	S	S	*	*			cis	178.3	139.5	-8.8	-137.5	-178.6	-178.5	179.9	2.2	104
176	S	23.1	Very low	28.7	Very low	122 Å²	122	139.1 Å²	139.1	85%	0.853	75%	0.746	S	S	*	*			trans	-155.4	114.2	153.5	-164.1	0	0	0	0	110.7
177	L	25.4	Very low	28.3	Very low	133 Å²	133	143.4 Å²	143.4	70%	0.696	77%	0.77	S	S	*	*			trans	-70.9	157.1	145.9	-76.8	95.9	0	0	0	107.2
178	D	24.6	Very low	28	Very low	143 Å²	143	140.4 Å²	140.4	77%	0.765	78%	0.784	S	S	*	*			cis	-139.1	158.9	29.4	-81.1	-50.7	0	0	0	109.2
179	V	23.3	Very low	28	Very low	135 Å²	135	140.2 Å²	140.2	82%	0.818	79%	0.787	S	S	*	*				-166.7	152.1	73.6	161.4	0	0	0	0	110.4
180	S	25.4	Very low	27.6	Very low	102 Å²	102	143.3 Å²	143.3	71%	0.713	80%	0.798	S	S	*	*			trans	-52.5	145.3	179	65.2	0	0	0	0	118.1
181	S	25.8	Very low	27.7	Very low	124 Å²	124	147.1 Å²	147.1	87%	0.867	81%	0.811	S	S	*	*				173.4	127.3	119.4	52.5	0	0	0	0	108.7
182	G	24.9	Very low	27.6	Very low	78 Å²	78	149.8 Å²	149.8	80%	0.804	81%	0.814	S	S	*	*				141.3	132	96.7	0	0	0	0	0	109.1
183	R	27.2	Very low	28	Very low	227 Å²	227	156.3 Å²	156.3	86%	0.857	83%	0.828	S	S	*	*			trans	-80.2	157.5	-162.4	-64.5	170.5	170.1	-158.5	-3.3	115.2
184	R	28	Very low	28.1	Very low	225 Å²	225	157.1 Å²	157.1	85%	0.849	83%	0.828	S	S	*	*			trans	94.6	154.6	145.7	-76.2	173.1	-170.7	-174.6	4.9	119.9
185	P	30.8	Very low	28.7	Very low	120 Å²	120	155.2 Å²	155.2	78%	0.779	83%	0.834	S	S	*	*			cis	-126.7	157.9	-25.7	33.6	-16	0	0	0	114
186	A	28.7	Very low	29	Very low	100 Å²	100	147.6 Å²	147.6	83%	0.826	82%	0.824	S	S	*	*			trans	-76.2	139.1	179.1	0	0	0	0	0	112.9
187	L	30	Very low	29.5	Very low	176 Å²	176	147 Å²	147	92%	0.921	82%	0.819	S	S	*	*			trans	-104.9	121	163.1	-78.8	168.5	0	0	0	108.8
188	G	27.9	Very low	30	Very low	79 Å²	79	149.5 Å²	149.5	81%	0.814	83%	0.83	S	S	*	*			trans	-74.4	131.7	-165	0	0	0	0	0	114.7
189	I	36.5	Very low	30.7	Very low	166 Å²	166	146.8 Å²	146.8	85%	0.851	82%	0.822	S	S	*	*			trans	-98.1	117.4	155.1	-65.4	170.6	0	0	0	106.7	K191	I189-K191 PolarHBondContact O-N 3.3Å
190	R	27.9	Very low	31.6	Very low	242 Å²	242	149.1 Å²	149.1	91%	0.913	82%	0.824	S	S	*	*			trans	-68.9	96.6	-175.4	-169.6	175.4	176.8	179.9	-0.6	109.9	R192	R190-R192 PolarHBondContact O-N 3.41Å
191	K	32	Very low	32.4	Very low	195 Å²	195	148.7 Å²	148.7	85%	0.848	81%	0.814	S	S	*	*			trans	-69.2	111.5	174	-156.6	174.2	-173	175.8	0	109.3	I189	I189-K191 PolarHBondContact O-N 3.3Å
192	R	30.4	Very low	33.4	Very low	231 Å²	231	154.1 Å²	154.1	87%	0.872	82%	0.815	S	S	*	*			trans	-73.5	126.7	165.1	-83.5	-172.1	175.9	-154.5	0.4	108.1	R190	R190-R192 PolarHBondContact O-N 3.41Å
193	Q	35.7	Very low	34.2	Very low	196 Å²	196	157.8 Å²	157.8	92%	0.916	81%	0.809	S	S	*	*			trans	-75.5	123.6	170.9	-66.6	-178	-15.4	0	0	108.8
194	S	29.3	Very low	35.2	Very low	114 Å²	114	147.2 Å²	147.2	80%	0.797	77%	0.771	S	S	*	*			trans	-147.1	109.5	156.4	54.2	0	0	0	0	108.2	G196	S194-G196 PolarHBondContact O-N 2.76Å
195	S	39.6	Very low	36.5	Very low	132 Å²	132	138.5 Å²	138.5	92%	0.923	75%	0.746	S	S	*	*			trans	-64.7	115.8	169.3	45.4	0	0	0	0	110.2
196	G	32.3	Very low	37.9	Very low	60 Å²	60	135.4 Å²	135.4	62%	0.619	73%	0.728	S	S	*	*			trans	-175.2	110.4	173.8	0	0	0	0	0	113.5	S194	S194-G196 PolarHBondContact O-N 2.76Å
197	S	34.2	Very low	39.5	Very low	108 Å²	108	131 Å²	131	76%	0.755	69%	0.692	S	S	*	*			trans	37.4	101.4	151.2	-160.1	0	0	0	0	118.9
198	M	36.1	Very low	41.2	Very low	186 Å²	186	127.9 Å²	127.9	92%	0.916	67%	0.668	S	S	*	*			trans	-95.8	98.1	168.5	-66.3	-75.6	96.7	0	0	110.1
199	S	38.6	Very low	43.3	Very low	86 Å²	86	130.1 Å²	130.1	60%	0.601	66%	0.657	S	S	*	*			trans	-146.6	125.7	159.2	61.4	0	0	0	0	109.8
200	E	43.2	Very low	45.1	Very low	185 Å²	185	124.4 Å²	124.4	86%	0.864	63%	0.625	S	S	*	*	S	Bend	trans	69.2	84.9	175.5	-58.9	-167.6	150	0	0	116.1
201	D	41.1	Very low	47.2	Very low	92 Å²	92	114 Å²	114	49%	0.492	59%	0.588	S	S	.	*			trans	-159.8	71.8	153.8	-100.1	-14.2	0	0	0	110	F203 A204 A205	D201-F203 VanDerWaalsContact C-N 3.25Å; D201-F203 PolarHBondContact O-N 3.38Å; D201-A204 HydrophobicContact CB-CB 3.81Å; D201-A205 PolarHBondContact O-N 3.18Å
202	R	47.4	Very low	49.1	Very low	238 Å²	238	111.1 Å²	111.1	90%	0.898	58%	0.578	S	S	*	*	H	α-helix	trans	-67.3	-27.5	174	-101.4	-175.7	-174.4	175.8	2.4	112.1	S206	R202-S206 PolarHBondContact O-N 3.17Å
203	F	41.7	Very low	51.3	Low	156 Å²	156	101.2 Å²	101.2	68%	0.684	54%	0.544	S	S	*	.	H	α-helix	trans	-78.6	-37.3	178.6	-96.3	-91	0	0	0	112.2	D201 A205 S206 A207 E273	D201-F203 VanDerWaalsContact C-N 3.25Å; D201-F203 PolarHBondContact O-N 3.38Å; F203-A205 VanDerWaalsContact C-N 3.26Å; F203-A205 PolarHBondContact O-N 3.02Å; F203-S206 PolarHBondContact O-N 3.47Å; F203-S206 PolarHBondContact O-OG 2.74Å; F203-A207 PolarHBondContact O-N 2.9Å; F203-E273 VanDerWaalsContact C-OE1 3.26Å
204	A	48.2	Very low	53.2	Low	5 Å²	5	91.9 Å²	91.9	4%	0.041	50%	0.5	C	S	.	.	H	α-helix	trans	-67.5	-33.7	179.4	0	0	0	0	0	111.1	D201 R208 E273	D201-A204 HydrophobicContact CB-CB 3.81Å; A204-R208 WeakPolarHBondContact O-CB 3.3Å; A204-R208 VanDerWaalsContact O-CG 3.27Å; A204-R208 WeakPolarHBondContact O-CG 3.42Å; A204-R208 PolarHBondContact O-N 2.89Å; A204-R208 VanDerWaalsContact O-N 3.14Å; A204-E273 WeakPolarHBondContact CA-OE1 3.47Å; A204-E273 HydrophobicContact CB-CG 4.29Å; A204-E273 WeakPolarHBondContact CB-OE1 3.15Å; A204-E273 PolarHBondContact N-OE1 3.03Å
205	A	55.6	Low	55.3	Low	41 Å²	41	91 Å²	91	34%	0.339	48%	0.483	S	S	.	.	H	α-helix	trans	-60.4	-46.8	170.3	0	0	0	0	0	110.8	D201 F203 A207 R208 E209	D201-A205 PolarHBondContact O-N 3.18Å; F203-A205 VanDerWaalsContact C-N 3.26Å; F203-A205 PolarHBondContact O-N 3.02Å; A205-A207 PolarHBondContact O-N 2.94Å; A205-R208 PolarHBondContact O-N 3.31Å; A205-E209 VanDerWaalsContact O-CB 3.28Å; A205-E209 WeakPolarHBondContact O-CB 3.36Å; A205-E209 WeakPolarHBondContact O-CG 3.37Å; A205-E209 PolarHBondContact O-N 3.34Å
206	S	59.9	Low	56.9	Low	56 Å²	56	90.6 Å²	90.6	39%	0.392	47%	0.467	S	S	.	.	H	α-helix	trans	-66	-39.5	-178.7	75.4	0	0	0	0	114	R202 F203 E209 Y210	R202-S206 PolarHBondContact O-N 3.17Å; F203-S206 PolarHBondContact O-N 3.47Å; F203-S206 PolarHBondContact O-OG 2.74Å; S206-E209 PolarHBondContact O-N 3.42Å; S206-Y210 WeakPolarHBondContact O-CB 3.47Å; S206-Y210 PolarHBondContact O-N 2.96Å
207	A	61.4	Low	58.9	Low	8 Å²	8	90.8 Å²	90.8	7%	0.066	45%	0.454	C	S	.	.	H	α-helix	trans	-65.6	-43.6	176.5	0	0	0	0	0	111.5	F203 A205 Y210 V211 W278	F203-A207 PolarHBondContact O-N 2.9Å; A205-A207 PolarHBondContact O-N 2.94Å; A207-Y210 PolarHBondContact O-N 3.38Å; A207-V211 WeakPolarHBondContact O-CG2 3.49Å; A207-V211 PolarHBondContact O-N 2.85Å; A207-V211 VanDerWaalsContact O-N 3.1Å; A207-W278 HydrophobicContact CB-CH2 4.19Å; A207-W278 HydrophobicContact CB-CZ2 3.59Å
208	R	66.1	Low	60.5	Low	110 Å²	110	91.7 Å²	91.7	42%	0.415	46%	0.46	S	S	.	.	H	α-helix	trans	-65.3	-45.5	174.7	-73.4	175.5	178	144.5	-7.8	111.7	A204 A205 Y210 V211 E212 D269	A204-R208 WeakPolarHBondContact O-CB 3.3Å; A204-R208 VanDerWaalsContact O-CG 3.27Å; A204-R208 WeakPolarHBondContact O-CG 3.42Å; A204-R208 PolarHBondContact O-N 2.89Å; A204-R208 VanDerWaalsContact O-N 3.14Å; A205-R208 PolarHBondContact O-N 3.31Å; R208-Y210 VanDerWaalsContact C-N 3.3Å; R208-Y210 PolarHBondContact O-N 3.41Å; R208-V211 PolarHBondContact O-N 3.47Å; R208-E212 WeakPolarHBondContact O-CB 3.37Å; R208-E212 VanDerWaalsContact O-CG 3.31Å; R208-E212 WeakPolarHBondContact O-CG 3.39Å; R208-E212 PolarHBondContact O-N 3.49Å; R208-D269 IonicContact CZ-OD1 2.67Å; R208-D269 IonicContact NH2-OD1 3.65Å; R208-D269 PolarHBondContact NH2-OD1 2.63Å; R208-D269 IonicContact NH2-OD2 3.68Å; R208-D269 PolarHBondContact NH2-OD2 3.31Å
209	E	71.5	Confident	62.1	Low	126 Å²	126	93.3 Å²	93.3	59%	0.589	46%	0.456	S	S	*	.	H	α-helix	trans	-60.4	-37.9	175.7	-77.4	176	-167.8	0	0	112	A205 S206 S213	A205-E209 VanDerWaalsContact O-CB 3.28Å; A205-E209 WeakPolarHBondContact O-CB 3.36Å; A205-E209 WeakPolarHBondContact O-CG 3.37Å; A205-E209 PolarHBondContact O-N 3.34Å; S206-E209 PolarHBondContact O-N 3.42Å; E209-S213 WeakPolarHBondContact O-CB 3.22Å; E209-S213 PolarHBondContact O-N 3.35Å
210	Y	74.1	Confident	64	Low	46 Å²	46	90.7 Å²	90.7	18%	0.18	44%	0.436	C	S	.	.	H	α-helix	trans	-65.9	-46.8	175.7	-177.1	-88.7	0	0	0	111.9	S206 A207 R208 E212 S213 L214 K256 T258 W278 T283	S206-Y210 WeakPolarHBondContact O-CB 3.47Å; S206-Y210 PolarHBondContact O-N 2.96Å; A207-Y210 PolarHBondContact O-N 3.38Å; R208-Y210 VanDerWaalsContact C-N 3.3Å; R208-Y210 PolarHBondContact O-N 3.41Å; Y210-E212 VanDerWaalsContact C-N 3.34Å; Y210-S213 WeakPolarHBondContact O-CB 3.47Å; Y210-S213 PolarHBondContact O-N 3.42Å; Y210-S213 VanDerWaalsContact O-N 3.13Å; Y210-S213 PolarHBondContact O-OG 3.07Å; Y210-L214 HydrophobicContact CE1-CD2 4.35Å; Y210-L214 PolarHBondContact O-N 3.05Å; Y210-K256 HydrophobicContact CE2-CD 4.49Å; Y210-T258 HydrophobicContact CE1-CG2 4.15Å; Y210-T258 WeakPolarHBondContact CE1-OG1 3.39Å; Y210-W278 AromaticContact CD1-CH2 3.87Å; Y210-W278 HydrophobicContact CD1-CH2 3.87Å; Y210-W278 AromaticContact CD1-CZ3 3.46Å; Y210-W278 HydrophobicContact CD1-CZ3 3.46Å; Y210-W278 VanDerWaalsContact CD1-CZ3 3.46Å; Y210-W278 AromaticContact CE1-CZ3 3.86Å; Y210-W278 HydrophobicContact CE1-CZ3 3.86Å; Y210-W278 HydrophobicContact CG-CH2 4.42Å; Y210-W278 HydrophobicContact CG-CZ3 4.02Å; Y210-T283 PolarHBondContact OH-OG1 3.42Å
211	V	72.6	Confident	65.8	Low	24 Å²	24	86.3 Å²	86.3	15%	0.145	42%	0.416	C	S	.	.	H	α-helix	trans	-64.9	-38.7	176.8	175.1	0	0	0	0	111.3	A207 R208 S213 L214 H215 W278	A207-V211 WeakPolarHBondContact O-CG2 3.49Å; A207-V211 PolarHBondContact O-N 2.85Å; A207-V211 VanDerWaalsContact O-N 3.1Å; R208-V211 PolarHBondContact O-N 3.47Å; V211-S213 VanDerWaalsContact C-N 3.29Å; V211-S213 PolarHBondContact O-N 3.23Å; V211-L214 WeakPolarHBondContact O-CB 3.4Å; V211-L214 PolarHBondContact O-N 3.28Å; V211-H215 PolarHBondContact O-ND1 3.18Å; V211-H215 VanDerWaalsContact O-ND1 3.17Å; V211-W278 HydrophobicContact CG2-CH2 4.14Å
212	E	71.4	Confident	68.1	Low	134 Å²	134	83.7 Å²	83.7	63%	0.626	40%	0.401	S	S	*	.	H	α-helix	trans	-63.2	-35.4	172.4	-74.5	-179.7	179.3	0	0	111.6	R208 Y210 L214 H215	R208-E212 WeakPolarHBondContact O-CB 3.37Å; R208-E212 VanDerWaalsContact O-CG 3.31Å; R208-E212 WeakPolarHBondContact O-CG 3.39Å; R208-E212 PolarHBondContact O-N 3.49Å; Y210-E212 VanDerWaalsContact C-N 3.34Å; E212-L214 PolarHBondContact O-N 3.02Å; E212-H215 PolarHBondContact O-N 2.91Å; E212-H215 VanDerWaalsContact O-N 3.09Å
213	S	76.9	Confident	69.8	Low	22 Å²	22	74.6 Å²	74.6	15%	0.154	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-14.3	175.6	85.7	0	0	0	0	114.8	E209 Y210 V211 H215 H247 K256	E209-S213 WeakPolarHBondContact O-CB 3.22Å; E209-S213 PolarHBondContact O-N 3.35Å; Y210-S213 WeakPolarHBondContact O-CB 3.47Å; Y210-S213 PolarHBondContact O-N 3.42Å; Y210-S213 VanDerWaalsContact O-N 3.13Å; Y210-S213 PolarHBondContact O-OG 3.07Å; V211-S213 VanDerWaalsContact C-N 3.29Å; V211-S213 PolarHBondContact O-N 3.23Å; S213-H215 PolarHBondContact O-N 3.02Å; S213-H247 PolarHBondContact O-CE1 3.25Å; S213-H247 PolarHBondContact O-NE2 3.24Å; S213-K256 PolarHBondContact OG-NZ 3.14Å
214	L	75.3	Confident	72.1	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.005	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-15.1	172.6	-59.5	172.7	0	0	0	112	Y210 V211 E212 Y243 H247 K256 T258 I263	Y210-L214 HydrophobicContact CE1-CD2 4.35Å; Y210-L214 PolarHBondContact O-N 3.05Å; V211-L214 WeakPolarHBondContact O-CB 3.4Å; V211-L214 PolarHBondContact O-N 3.28Å; E212-L214 PolarHBondContact O-N 3.02Å; L214-Y243 HydrophobicContact CB-CD1 4.19Å; L214-Y243 HydrophobicContact CB-CE1 4.22Å; L214-Y243 HydrophobicContact CD1-CD1 4.46Å; L214-H247 VanDerWaalsContact C-CE1 3.42Å; L214-H247 PolarHBondContact O-CE1 3.08Å; L214-H247 PolarHBondContact O-NE2 2.8Å; L214-K256 HydrophobicContact CD2-CB 3.69Å; L214-K256 HydrophobicContact CD2-CD 3.84Å; L214-K256 HydrophobicContact CD2-CG 4.44Å; L214-T258 HydrophobicContact CD1-CG2 4.01Å; L214-T258 VanDerWaalsContact CD1-OG1 3.29Å; L214-T258 WeakPolarHBondContact CD1-OG1 3.24Å; L214-T258 WeakPolarHBondContact CD2-OG1 3.17Å; L214-I263 HydrophobicContact CD1-CD1 4.13Å; L214-I263 HydrophobicContact CD1-CG1 4.3Å
215	H	74.8	Confident	74	Confident	94 Å²	94	69.5 Å²	69.5	44%	0.435	36%	0.356	S	S	.	.	S	Bend	trans	-103.1	160.5	177.5	-57.5	89.1	0	0	0	110.5	V211 E212 S213 N217	V211-H215 PolarHBondContact O-ND1 3.18Å; V211-H215 VanDerWaalsContact O-ND1 3.17Å; E212-H215 PolarHBondContact O-N 2.91Å; E212-H215 VanDerWaalsContact O-N 3.09Å; S213-H215 PolarHBondContact O-N 3.02Å; H215-N217 PolarHBondContact O-N 3.19Å
216	Q	72.8	Confident	75.5	Confident	125 Å²	125	70 Å²	70	58%	0.584	35%	0.351	S	S	*	.			trans	-59.1	133.6	176.5	-177.7	170.9	3.9	0	0	110.7	H221 L222	Q216-H221 PolarHBondContact NE2-CD2 3.12Å; Q216-H221 VanDerWaalsContact NE2-CD2 3.3Å; Q216-H221 PolarHBondContact NE2-NE2 2.92Å; Q216-L222 HydrophobicContact CB-CB 4.04Å
217	N	74	Confident	76.8	Confident	64 Å²	64	70.2 Å²	70.2	34%	0.342	35%	0.347	S	S	.	.			trans	-140.6	-179.4	175.2	68.1	52.7	0	0	0	110.8	H215 R219 T220	H215-N217 PolarHBondContact O-N 3.19Å; N217-R219 PolarHBondContact O-N 3.3Å; N217-R219 WeakPolarHBondContact OD1-CA 3.21Å; N217-R219 WeakPolarHBondContact OD1-CB 3.41Å; N217-R219 PolarHBondContact OD1-N 2.83Å; N217-T220 PolarHBondContact N-O 2.91Å; N217-T220 VanDerWaalsContact N-O 3.1Å; N217-T220 PolarHBondContact ND2-OG1 3.09Å; N217-T220 PolarHBondContact OD1-N 2.98Å; N217-T220 PolarHBondContact OD1-OG1 2.97Å
218	S	68.8	Low	77.9	Confident	127 Å²	127	73.4 Å²	73.4	89%	0.888	36%	0.363	S	S	*	.	S	Bend	trans	-68.1	-13	-176.8	56.3	0	0	0	0	114.9
219	R	69.6	Low	78.9	Confident	220 Å²	220	68.2 Å²	68.2	83%	0.83	34%	0.344	S	S	*	.	S	Bend	trans	-109.9	-23.3	-178.7	-65	-179.8	174.2	164.3	-2.1	113.4	N217	N217-R219 PolarHBondContact O-N 3.3Å; N217-R219 WeakPolarHBondContact OD1-CA 3.21Å; N217-R219 WeakPolarHBondContact OD1-CB 3.41Å; N217-R219 PolarHBondContact OD1-N 2.83Å
220	T	77.5	Confident	79.9	Confident	30 Å²	30	64.8 Å²	64.8	18%	0.184	33%	0.329	C	S	.	.			trans	-137	122.5	-176.9	62.7	0	0	0	0	111.4	N217 A249	N217-T220 PolarHBondContact N-O 2.91Å; N217-T220 VanDerWaalsContact N-O 3.1Å; N217-T220 PolarHBondContact ND2-OG1 3.09Å; N217-T220 PolarHBondContact OD1-N 2.98Å; N217-T220 PolarHBondContact OD1-OG1 2.97Å; T220-A249 HydrophobicContact CG2-CB 3.88Å
221	H	81.3	Confident	80.6	Confident	94 Å²	94	62.8 Å²	62.8	44%	0.435	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	124	176.8	-170.5	-85	0	0	0	110.5	Q216 L223 H247 Q248	Q216-H221 PolarHBondContact NE2-CD2 3.12Å; Q216-H221 VanDerWaalsContact NE2-CD2 3.3Å; Q216-H221 PolarHBondContact NE2-NE2 2.92Å; H221-L223 PolarHBondContact O-N 3.35Å; H221-H247 CarbonylContact O-C 3.51Å; H221-H247 WeakPolarHBondContact O-CA 3.35Å; H221-Q248 PolarHBondContact N-O 3.31Å; H221-Q248 PolarHBondContact O-N 2.83Å
222	L	88.4	Confident	81.2	Confident	37 Å²	37	65.2 Å²	65.2	19%	0.194	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	112.7	176.7	-179	69.1	0	0	0	109.3	Q216 Y224	Q216-L222 HydrophobicContact CB-CB 4.04Å; L222-Y224 VanDerWaalsContact CD1-O 3.32Å; L222-Y224 WeakPolarHBondContact CD1-O 3.36Å
223	L	84.3	Confident	81.4	Confident	47 Å²	47	60.4 Å²	60.4	25%	0.246	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-36.1	177.9	-64.4	-176.5	0	0	0	112.6	H221 L246 Q248 L253	H221-L223 PolarHBondContact O-N 3.35Å; L223-L246 HydrophobicContact CB-CD2 4.27Å; L223-L246 HydrophobicContact CB-CG 4.36Å; L223-L246 HydrophobicContact CD1-CD2 4.4Å; L223-L246 PolarHBondContact N-O 3.21Å; L223-Q248 HydrophobicContact CD1-CB 3.78Å; L223-Q248 HydrophobicContact CD2-CB 4.31Å; L223-Q248 HydrophobicContact CG-CB 3.91Å; L223-L253 HydrophobicContact CD1-CD2 3.47Å; L223-L253 VanDerWaalsContact CD1-CD2 3.47Å
224	Y	90	Very high	81.3	Confident	20 Å²	20	65.5 Å²	65.5	8%	0.078	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	136	179	-179	-89	0	0	0	109.8	L222 K226 S245 L246 F319 H324 A327 F328 C331	L222-Y224 VanDerWaalsContact CD1-O 3.32Å; L222-Y224 WeakPolarHBondContact CD1-O 3.36Å; Y224-K226 HydrophobicContact CD1-CB 4.43Å; Y224-K226 HydrophobicContact CE1-CB 3.46Å; Y224-K226 VanDerWaalsContact CE1-CB 3.46Å; Y224-S245 CarbonylContact O-C 3.43Å; Y224-S245 VanDerWaalsContact O-CA 3.24Å; Y224-S245 WeakPolarHBondContact O-CA 3.15Å; Y224-L246 PolarHBondContact N-O 3.38Å; Y224-L246 PolarHBondContact O-N 2.92Å; Y224-F319 AromaticContact CE1-CE1 3.95Å; Y224-F319 HydrophobicContact CE1-CE1 3.95Å; Y224-F319 WeakPolarHBondContact OH-CE1 3.2Å; Y224-H324 PolarHBondContact OH-O 3.35Å; Y224-A327 HydrophobicContact CE2-CB 3.94Å; Y224-F328 HydrophobicContact CD1-CB 4.31Å; Y224-F328 AromaticContact CD1-CD2 3.67Å; Y224-F328 HydrophobicContact CD1-CD2 3.67Å; Y224-F328 HydrophobicContact CD1-CG 4.48Å; Y224-F328 HydrophobicContact CD2-CB 4.28Å; Y224-F328 HydrophobicContact CE1-CB 3.96Å; Y224-F328 AromaticContact CE1-CD2 3.95Å; Y224-F328 HydrophobicContact CE1-CD2 3.95Å; Y224-F328 HydrophobicContact CE1-CG 4.41Å; Y224-F328 HydrophobicContact CE2-CB 3.91Å; Y224-F328 HydrophobicContact CG-CB 4.45Å; Y224-F328 HydrophobicContact CG-CD2 4.06Å; Y224-C331 HydrophobicContact CD2-CB 4.43Å
225	G	88.3	Confident	80.9	Confident	34 Å²	34	74.7 Å²	74.7	35%	0.351	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	127.6	175.6	0	0	0	0	0	110.3	Y243 L244	G225-Y243 WeakPolarHBondContact CA-OH 3.34Å; G225-L244 CarbonylContact C-O 3.45Å; G225-L244 WeakPolarHBondContact CA-O 3.37Å
226	K	86.7	Confident	80.8	Confident	52 Å²	52	78 Å²	78	23%	0.226	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	122.8	178.3	-174	58.1	178.4	177.7	0	111.8	Y224 V229 L244 H324	Y224-K226 HydrophobicContact CD1-CB 4.43Å; Y224-K226 HydrophobicContact CE1-CB 3.46Å; Y224-K226 VanDerWaalsContact CE1-CB 3.46Å; K226-V229 HydrophobicContact CB-CG2 4.14Å; K226-V229 HydrophobicContact CG-CG2 3.96Å; K226-L244 PolarHBondContact N-O 3.48Å; K226-L244 PolarHBondContact O-N 2.81Å; K226-H324 WeakPolarHBondContact CE-NE2 3.49Å; K226-H324 PolarHBondContact NZ-CE1 3.44Å; K226-H324 PolarHBondContact NZ-NE2 2.86Å
227	N	86.4	Confident	80.9	Confident	60 Å²	60	74.7 Å²	74.7	32%	0.321	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	159	171.4	-156.3	-9.4	0	0	0	111.4	V229 Y243 N260	N227-V229 VanDerWaalsContact C-N 3.31Å; N227-Y243 HydrophobicContact CB-CD2 3.92Å; N227-N260 PolarHBondContact OD1-ND2 2.49Å; N227-N260 PolarHBondContact OD1-OD1 2.99Å
228	N	85.3	Confident	81.1	Confident	75 Å²	75	79.8 Å²	79.8	40%	0.401	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	63.5	32.5	-178.8	-55.6	-47	0	0	0	113.5	G242 N260	N228-G242 PolarHBondContact N-O 3.2Å; N228-G242 VanDerWaalsContact N-O 3.11Å; N228-N260 PolarHBondContact OD1-ND2 2.93Å
229	V	88.1	Confident	81.8	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	126.8	164.4	177.9	0	0	0	0	107.4	K226 N227 G242 L244 W257 L317 H318 F319	K226-V229 HydrophobicContact CB-CG2 4.14Å; K226-V229 HydrophobicContact CG-CG2 3.96Å; N227-V229 VanDerWaalsContact C-N 3.31Å; V229-G242 PolarHBondContact N-O 3.07Å; V229-G242 PolarHBondContact O-N 2.86Å; V229-L244 HydrophobicContact CB-CB 4.03Å; V229-L244 HydrophobicContact CG1-CB 4.33Å; V229-L244 HydrophobicContact CG1-CD2 4.36Å; V229-L244 HydrophobicContact CG2-CB 3.71Å; V229-L244 HydrophobicContact CG2-CD2 4.27Å; V229-W257 PolarHBondContact O-NE1 3.35Å; V229-L317 HydrophobicContact CG1-CB 4.13Å; V229-L317 HydrophobicContact CG1-CD2 3.87Å; V229-H318 WeakPolarHBondContact CA-O 3.49Å; V229-F319 HydrophobicContact CG2-CD1 4.14Å; V229-F319 HydrophobicContact CG2-CE1 4.28Å
230	L	90.5	Very high	82.7	Confident	55 Å²	55	67.3 Å²	67.3	29%	0.288	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	136.1	-173.2	-50	178.9	0	0	0	111	V239 L240 R241 H318	L230-V239 HydrophobicContact CB-CG1 3.54Å; L230-V239 HydrophobicContact CD1-CG1 4.13Å; L230-V239 HydrophobicContact CD2-CG1 4.39Å; L230-V239 HydrophobicContact CG-CG1 4.24Å; L230-L240 VanDerWaalsContact CA-O 3.29Å; L230-L240 WeakPolarHBondContact CA-O 3.44Å; L230-R241 HydrophobicContact CD2-CB 4.18Å; L230-R241 HydrophobicContact CD2-CG 3.54Å; L230-H318 HydrophobicContact CB-CB 4.1Å; L230-H318 PolarHBondContact N-O 2.9Å; L230-H318 PolarHBondContact O-N 3.37Å
231	V	90.6	Very high	83.2	Confident	3 Å²	3	73.4 Å²	73.4	2%	0.018	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	137.3	171.9	175.5	0	0	0	0	108.6	P233 L240 W257 P315 L317	V231-P233 WeakPolarHBondContact O-CD 3.36Å; V231-L240 PolarHBondContact N-O 2.8Å; V231-L240 PolarHBondContact O-N 3.46Å; V231-W257 HydrophobicContact CB-CD2 4.26Å; V231-W257 HydrophobicContact CB-CE3 4.32Å; V231-W257 HydrophobicContact CB-CH2 3.74Å; V231-W257 HydrophobicContact CB-CZ2 3.64Å; V231-W257 HydrophobicContact CB-CZ3 4.07Å; V231-W257 HydrophobicContact CG1-CZ3 4.48Å; V231-W257 HydrophobicContact CG2-CD2 3.64Å; V231-W257 VanDerWaalsContact CG2-CE2 3.42Å; V231-W257 HydrophobicContact CG2-CE3 4.08Å; V231-W257 HydrophobicContact CG2-CG 4.08Å; V231-W257 HydrophobicContact CG2-CH2 4.18Å; V231-W257 HydrophobicContact CG2-CZ2 3.72Å; V231-W257 HydrophobicContact CG2-CZ3 4.33Å; V231-P315 HydrophobicContact CG1-CB 3.64Å; V231-L317 HydrophobicContact CG2-CD2 3.36Å; V231-L317 HydrophobicContact CG2-CG 4.28Å
232	Q	84.6	Confident	83.6	Confident	75 Å²	75	68.9 Å²	68.9	35%	0.35	34%	0.34	S	S	.	.			trans	-105.4	105.7	170.5	-167.1	177.8	6.6	0	0	109	K234 K235 M237 V239	Q232-K234 WeakPolarHBondContact CG-O 3.42Å; Q232-K234 PolarHBondContact NE2-O 3.31Å; Q232-K235 PolarHBondContact NE2-O 3.45Å; Q232-K235 VanDerWaalsContact NE2-O 3.16Å; Q232-M237 PolarHBondContact NE2-O 3.26Å; Q232-V239 HydrophobicContact CB-CG2 4.26Å; Q232-V239 HydrophobicContact CG-CG2 4.29Å
233	P	74.5	Confident	83.7	Confident	33 Å²	33	68.9 Å²	68.9	21%	0.214	34%	0.337	C	S	.	.	S	Bend	trans	-69.7	-35.9	-174.1	-21	33.1	0	0	0	114.1	V231 L240 Y280	V231-P233 WeakPolarHBondContact O-CD 3.36Å; P233-L240 HydrophobicContact CG-CD1 3.88Å; P233-L240 HydrophobicContact CG-CG 4.49Å; P233-Y280 HydrophobicContact CB-CD1 3.49Å; P233-Y280 VanDerWaalsContact CB-CD1 3.49Å; P233-Y280 HydrophobicContact CB-CE1 3.95Å; P233-Y280 HydrophobicContact CB-CG 4.07Å; P233-Y280 HydrophobicContact CG-CD1 3.84Å; P233-Y280 HydrophobicContact CG-CE1 4.45Å; P233-Y280 HydrophobicContact CG-CG 3.88Å
234	K	74.8	Confident	84	Confident	129 Å²	129	66.6 Å²	66.6	56%	0.561	33%	0.326	S	S	*	.	S	Bend	trans	-139.1	149.9	179.2	-64.5	-176.8	179.9	177.9	0	109.6	Q232 D236 M237	Q232-K234 WeakPolarHBondContact CG-O 3.42Å; Q232-K234 PolarHBondContact NE2-O 3.31Å; K234-D236 PolarHBondContact O-N 2.86Å; K234-D236 VanDerWaalsContact O-N 3.14Å; K234-M237 HydrophobicContact CB-CB 4.24Å; K234-M237 HydrophobicContact CB-CG 3.98Å; K234-M237 HydrophobicContact CB-SD 4.09Å; K234-M237 HydrophobicContact CD-SD 3.98Å; K234-M237 HydrophobicContact CG-SD 4.15Å; K234-M237 PolarHBondContact O-N 3.03Å
235	K	68.6	Low	84.1	Confident	194 Å²	194	65.7 Å²	65.7	84%	0.843	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-31.8	-177.6	-72.6	-177.6	179.2	175.2	0	113.3	Q232	Q232-K235 PolarHBondContact NE2-O 3.45Å; Q232-K235 VanDerWaalsContact NE2-O 3.16Å
236	D	72.4	Confident	84.3	Confident	163 Å²	163	64 Å²	64	87%	0.872	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	5.9	-177.6	-50.3	-43.5	0	0	0	113.9	K234	K234-D236 PolarHBondContact O-N 2.86Å; K234-D236 VanDerWaalsContact O-N 3.14Å
237	M	74	Confident	84.5	Confident	56 Å²	56	61.8 Å²	61.8	28%	0.276	30%	0.296	S	S	.	.	S	Bend	trans	-106.1	149.9	-179.8	-73.8	-172.6	71.2	0	0	112.3	Q232 K234 Y280	Q232-M237 PolarHBondContact NE2-O 3.26Å; K234-M237 HydrophobicContact CB-CB 4.24Å; K234-M237 HydrophobicContact CB-CG 3.98Å; K234-M237 HydrophobicContact CB-SD 4.09Å; K234-M237 HydrophobicContact CD-SD 3.98Å; K234-M237 HydrophobicContact CG-SD 4.15Å; K234-M237 PolarHBondContact O-N 3.03Å; M237-Y280 HydrophobicContact CE-CE1 4.42Å; M237-Y280 HydrophobicContact CE-CE2 3.96Å; M237-Y280 WeakPolarHBondContact CE-OH 3.45Å; M237-Y280 HydrophobicContact SD-CE1 4.27Å
238	E	78.9	Confident	84.6	Confident	172 Å²	172	61.7 Å²	61.7	80%	0.804	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-62.4	148.1	174.1	-66.3	-171	168	0	0	112.1	L240	E238-L240 PolarHBondContact O-N 3.47Å
239	V	83.6	Confident	84.6	Confident	70 Å²	70	59.8 Å²	59.8	42%	0.424	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-71	120.7	179.7	-179.1	0	0	0	0	110.1	L230 Q232	L230-V239 HydrophobicContact CB-CG1 3.54Å; L230-V239 HydrophobicContact CD1-CG1 4.13Å; L230-V239 HydrophobicContact CD2-CG1 4.39Å; L230-V239 HydrophobicContact CG-CG1 4.24Å; Q232-V239 HydrophobicContact CB-CG2 4.26Å; Q232-V239 HydrophobicContact CG-CG2 4.29Å
240	L	88.8	Confident	84.4	Confident	15 Å²	15	62.6 Å²	62.6	8%	0.079	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	139.4	-177.5	-63.9	179.7	0	0	0	111.6	L230 V231 P233 E238 W257 Y277 Y280	L230-L240 VanDerWaalsContact CA-O 3.29Å; L230-L240 WeakPolarHBondContact CA-O 3.44Å; V231-L240 PolarHBondContact N-O 2.8Å; V231-L240 PolarHBondContact O-N 3.46Å; P233-L240 HydrophobicContact CG-CD1 3.88Å; P233-L240 HydrophobicContact CG-CG 4.49Å; E238-L240 PolarHBondContact O-N 3.47Å; L240-W257 HydrophobicContact CB-CH2 3.87Å; L240-W257 HydrophobicContact CB-CZ2 4.38Å; L240-Y277 HydrophobicContact CD1-CD1 4.16Å; L240-Y277 HydrophobicContact CD1-CE1 4.44Å; L240-Y277 HydrophobicContact CD2-CE1 4.1Å; L240-Y280 HydrophobicContact CD1-CD2 3.94Å; L240-Y280 HydrophobicContact CD1-CG 4.38Å
241	R	87.6	Confident	83.6	Confident	157 Å²	157	63.9 Å²	63.9	59%	0.592	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	130.8	170.4	-53.8	-159.5	167	137	-1.5	109.7	L230 N260	L230-R241 HydrophobicContact CD2-CB 4.18Å; L230-R241 HydrophobicContact CD2-CG 3.54Å; R241-N260 WeakPolarHBondContact O-CB 3.46Å; R241-N260 PolarHBondContact O-N 2.92Å
242	G	88.4	Confident	83.3	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	171.6	176.4	0	0	0	0	0	114.1	N228 V229 T258 N260	N228-G242 PolarHBondContact N-O 3.2Å; N228-G242 VanDerWaalsContact N-O 3.11Å; V229-G242 PolarHBondContact N-O 3.07Å; V229-G242 PolarHBondContact O-N 2.86Å; G242-T258 CarbonylContact C-O 3.58Å; G242-T258 WeakPolarHBondContact CA-O 3.31Å; G242-N260 WeakPolarHBondContact CA-OD1 3.33Å
243	Y	90.6	Very high	83.6	Confident	36 Å²	36	64 Å²	64	14%	0.141	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	116.5	173.3	-174.2	-107.1	0	0	0	109.8	L214 G225 N227 W257 T258 N260 I263	L214-Y243 HydrophobicContact CB-CD1 4.19Å; L214-Y243 HydrophobicContact CB-CE1 4.22Å; L214-Y243 HydrophobicContact CD1-CD1 4.46Å; G225-Y243 WeakPolarHBondContact CA-OH 3.34Å; N227-Y243 HydrophobicContact CB-CD2 3.92Å; Y243-W257 WeakPolarHBondContact O-CA 3.44Å; Y243-T258 PolarHBondContact N-O 3.27Å; Y243-T258 PolarHBondContact O-N 3.26Å; Y243-N260 PolarHBondContact N-OD1 2.97Å; Y243-I263 HydrophobicContact CG-CD1 4.2Å
244	L	91.4	Very high	84.5	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	131.5	171.5	-171.9	68.9	0	0	0	109.4	G225 K226 V229 L255 K256 W257 L317 F319 F328	G225-L244 CarbonylContact C-O 3.45Å; G225-L244 WeakPolarHBondContact CA-O 3.37Å; K226-L244 PolarHBondContact N-O 3.48Å; K226-L244 PolarHBondContact O-N 2.81Å; V229-L244 HydrophobicContact CB-CB 4.03Å; V229-L244 HydrophobicContact CG1-CB 4.33Å; V229-L244 HydrophobicContact CG1-CD2 4.36Å; V229-L244 HydrophobicContact CG2-CB 3.71Å; V229-L244 HydrophobicContact CG2-CD2 4.27Å; L244-L255 HydrophobicContact CD1-CD1 3.67Å; L244-L255 HydrophobicContact CD1-CD2 4.04Å; L244-L255 HydrophobicContact CD1-CG 3.77Å; L244-L255 HydrophobicContact CD2-CD1 4.33Å; L244-L255 HydrophobicContact CG-CD1 3.96Å; L244-K256 CarbonylContact C-O 3.1Å; L244-K256 WeakPolarHBondContact CA-O 3.36Å; L244-W257 HydrophobicContact CD1-CB 3.85Å; L244-W257 HydrophobicContact CD1-CG 4.41Å; L244-L317 HydrophobicContact CD1-CD1 4.2Å; L244-L317 HydrophobicContact CD1-CD2 4.06Å; L244-F319 HydrophobicContact CD2-CE1 3.79Å; L244-F319 HydrophobicContact CD2-CE2 4.31Å; L244-F319 HydrophobicContact CD2-CZ 3.42Å; L244-F319 VanDerWaalsContact CD2-CZ 3.42Å; L244-F328 HydrophobicContact CD2-CD2 4.37Å; L244-F328 HydrophobicContact CD2-CE2 4.39Å
245	S	91.8	Very high	85.4	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	134.7	176.7	58.2	0	0	0	0	111.8	Y224 H247 L255 K256	Y224-S245 CarbonylContact O-C 3.43Å; Y224-S245 VanDerWaalsContact O-CA 3.24Å; Y224-S245 WeakPolarHBondContact O-CA 3.15Å; S245-H247 WeakPolarHBondContact CB-NE2 3.27Å; S245-H247 PolarHBondContact OG-CD2 2.86Å; S245-H247 PolarHBondContact OG-NE2 2.93Å; S245-L255 CarbonylContact O-C 3.59Å; S245-L255 WeakPolarHBondContact O-CA 3.28Å; S245-K256 PolarHBondContact N-O 3.03Å; S245-K256 PolarHBondContact O-N 3.11Å; S245-K256 PolarHBondContact OG-O 3.18Å
246	L	92.8	Very high	86.5	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	121.4	173.5	-178.3	66.6	0	0	0	108.3	L223 Y224 L253 L255 L286 F328 C331 L332	L223-L246 HydrophobicContact CB-CD2 4.27Å; L223-L246 HydrophobicContact CB-CG 4.36Å; L223-L246 HydrophobicContact CD1-CD2 4.4Å; L223-L246 PolarHBondContact N-O 3.21Å; Y224-L246 PolarHBondContact N-O 3.38Å; Y224-L246 PolarHBondContact O-N 2.92Å; L246-L253 HydrophobicContact CD1-CB 4.49Å; L246-L253 HydrophobicContact CD1-CD2 4.37Å; L246-L253 HydrophobicContact CG-CD2 4.41Å; L246-L255 HydrophobicContact CB-CD1 4.28Å; L246-L255 HydrophobicContact CD1-CD1 4.22Å; L246-L286 HydrophobicContact CD1-CD2 3.82Å; L246-L286 HydrophobicContact CD1-CG 4.46Å; L246-F328 HydrophobicContact CB-CE2 4.31Å; L246-F328 HydrophobicContact CD2-CE2 4.34Å; L246-C331 HydrophobicContact CD2-CB 4.48Å; L246-L332 HydrophobicContact CD1-CD1 4.41Å; L246-L332 HydrophobicContact CD2-CB 4.19Å; L246-L332 HydrophobicContact CD2-CD1 4.28Å
247	H	91.7	Very high	87.5	Confident	5 Å²	5	42.6 Å²	42.6	2%	0.023	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	140.1	-175.3	-67.7	-93.4	0	0	0	111	S213 L214 H221 S245 L253 T254	S213-H247 PolarHBondContact O-CE1 3.25Å; S213-H247 PolarHBondContact O-NE2 3.24Å; L214-H247 VanDerWaalsContact C-CE1 3.42Å; L214-H247 PolarHBondContact O-CE1 3.08Å; L214-H247 PolarHBondContact O-NE2 2.8Å; H221-H247 CarbonylContact O-C 3.51Å; H221-H247 WeakPolarHBondContact O-CA 3.35Å; S245-H247 WeakPolarHBondContact CB-NE2 3.27Å; S245-H247 PolarHBondContact OG-CD2 2.86Å; S245-H247 PolarHBondContact OG-NE2 2.93Å; H247-L253 CarbonylContact O-C 3.58Å; H247-L253 WeakPolarHBondContact O-CA 3.47Å; H247-T254 PolarHBondContact N-O 3.05Å; H247-T254 PolarHBondContact O-N 3.41Å
248	Q	87.6	Confident	88.3	Confident	58 Å²	58	40 Å²	40	27%	0.271	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	121	170.9	-172.1	173.5	24	0	0	109.6	H221 L223 G250 N252 L253	H221-Q248 PolarHBondContact N-O 3.31Å; H221-Q248 PolarHBondContact O-N 2.83Å; L223-Q248 HydrophobicContact CD1-CB 3.78Å; L223-Q248 HydrophobicContact CD2-CB 4.31Å; L223-Q248 HydrophobicContact CG-CB 3.91Å; Q248-G250 VanDerWaalsContact CG-O 3.32Å; Q248-G250 WeakPolarHBondContact CG-O 3.3Å; Q248-N252 WeakPolarHBondContact CA-O 3.41Å; Q248-L253 HydrophobicContact CB-CD2 4Å; Q248-L253 HydrophobicContact CG-CD2 4.28Å
249	A	85.8	Confident	88.8	Confident	35 Å²	35	31.8 Å²	31.8	29%	0.289	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	94.6	176.8	0	0	0	0	0	107.9	T220 D251 N252	T220-A249 HydrophobicContact CG2-CB 3.88Å; A249-D251 PolarHBondContact O-N 2.98Å; A249-D251 VanDerWaalsContact O-N 3.16Å; A249-N252 PolarHBondContact N-O 3.27Å; A249-N252 PolarHBondContact O-N 3.41Å; A249-N252 VanDerWaalsContact O-N 3.12Å
250	G	83.4	Confident	88.8	Confident	58 Å²	58	29.2 Å²	29.2	60%	0.598	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	-117.5	-165.9	0	0	0	0	0	110.6	Q248	Q248-G250 VanDerWaalsContact CG-O 3.32Å; Q248-G250 WeakPolarHBondContact CG-O 3.3Å
251	D	73.6	Confident	88.5	Confident	83 Å²	83	31.2 Å²	31.2	44%	0.444	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	5.4	-177.4	-52.8	-27.2	0	0	0	113.8	A249 R339	A249-D251 PolarHBondContact O-N 2.98Å; A249-D251 VanDerWaalsContact O-N 3.16Å; D251-R339 VanDerWaalsContact CG-NE 3.29Å; D251-R339 IonicContact OD1-CZ 3.45Å; D251-R339 IonicContact OD1-NE 2.81Å; D251-R339 IonicContact OD1-NH1 3.8Å; D251-R339 PolarHBondContact OD1-NH1 3.29Å; D251-R339 IonicContact OD1-NH2 3.82Å; D251-R339 PolarHBondContact OD1-NH2 3.34Å; D251-R339 IonicContact OD2-CZ 3.83Å; D251-R339 IonicContact OD2-NE 3.15Å; D251-R339 PolarHBondContact OD2-NE 3.41Å; D251-R339 VanDerWaalsContact OD2-NE 3.1Å; D251-R339 IonicContact OD2-NH2 3.03Å; D251-R339 PolarHBondContact OD2-NH2 3.43Å
252	N	83.6	Confident	88	Confident	72 Å²	72	23.9 Å²	23.9	39%	0.385	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	123.4	-176.2	-68	-22.3	0	0	0	109.7	Q248 A249 R287	Q248-N252 WeakPolarHBondContact CA-O 3.41Å; A249-N252 PolarHBondContact N-O 3.27Å; A249-N252 PolarHBondContact O-N 3.41Å; A249-N252 VanDerWaalsContact O-N 3.12Å; N252-R287 PolarHBondContact OD1-NE 3.35Å; N252-R287 PolarHBondContact OD1-NH2 2.88Å
253	L	91.3	Very high	87.3	Confident	9 Å²	9	25.8 Å²	25.8	5%	0.047	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	131	167.9	-74.2	175.3	0	0	0	109.9	L223 L246 H247 Q248 L286 L332 G335 L336	L223-L253 HydrophobicContact CD1-CD2 3.47Å; L223-L253 VanDerWaalsContact CD1-CD2 3.47Å; L246-L253 HydrophobicContact CD1-CB 4.49Å; L246-L253 HydrophobicContact CD1-CD2 4.37Å; L246-L253 HydrophobicContact CG-CD2 4.41Å; H247-L253 CarbonylContact O-C 3.58Å; H247-L253 WeakPolarHBondContact O-CA 3.47Å; Q248-L253 HydrophobicContact CB-CD2 4Å; Q248-L253 HydrophobicContact CG-CD2 4.28Å; L253-L286 HydrophobicContact CB-CB 3.83Å; L253-L286 HydrophobicContact CB-CD2 4.1Å; L253-L286 HydrophobicContact CB-CG 3.96Å; L253-L286 PolarHBondContact O-N 3.05Å; L253-L332 HydrophobicContact CD1-CD1 3.94Å; L253-G335 VanDerWaalsContact CD1-C 3.49Å; L253-G335 WeakPolarHBondContact CD1-O 3.43Å; L253-L336 HydrophobicContact CD1-CD2 3.83Å; L253-L336 HydrophobicContact CD1-CG 3.83Å
254	T	93.3	Very high	86	Confident	30 Å²	30	29 Å²	29	18%	0.184	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.8	175	-53.7	0	0	0	0	109.7	H247 K256 T283	H247-T254 PolarHBondContact N-O 3.05Å; H247-T254 PolarHBondContact O-N 3.41Å; T254-K256 HydrophobicContact CG2-CG 4.13Å; T254-T283 HydrophobicContact CG2-CG2 3.74Å
255	L	93.3	Very high	84.3	Confident	4 Å²	4	31.4 Å²	31.4	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	130.3	170.2	-169.9	71.5	0	0	0	109.2	L244 S245 L246 T283 V284 L286 L306 L317 F328	L244-L255 HydrophobicContact CD1-CD1 3.67Å; L244-L255 HydrophobicContact CD1-CD2 4.04Å; L244-L255 HydrophobicContact CD1-CG 3.77Å; L244-L255 HydrophobicContact CD2-CD1 4.33Å; L244-L255 HydrophobicContact CG-CD1 3.96Å; S245-L255 CarbonylContact O-C 3.59Å; S245-L255 WeakPolarHBondContact O-CA 3.28Å; L246-L255 HydrophobicContact CB-CD1 4.28Å; L246-L255 HydrophobicContact CD1-CD1 4.22Å; L255-T283 CarbonylContact O-C 3.56Å; L255-T283 WeakPolarHBondContact O-CA 3.32Å; L255-V284 HydrophobicContact CB-CB 4.4Å; L255-V284 PolarHBondContact N-O 3.4Å; L255-V284 PolarHBondContact O-N 2.86Å; L255-L286 HydrophobicContact CB-CD2 3.75Å; L255-L306 HydrophobicContact CD2-CD1 3.5Å; L255-L306 VanDerWaalsContact CD2-CD1 3.5Å; L255-L317 HydrophobicContact CD2-CD1 4Å; L255-F328 HydrophobicContact CD1-CE2 3.49Å; L255-F328 VanDerWaalsContact CD1-CE2 3.49Å; L255-F328 HydrophobicContact CD1-CZ 3.81Å; L255-F328 HydrophobicContact CD2-CZ 4.43Å
256	K	93.1	Very high	82.1	Confident	33 Å²	33	37.1 Å²	37.1	14%	0.143	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	134.7	174.3	-61.5	-172.8	176.6	-172.4	0	110.5	Y210 S213 L214 L244 S245 T254 L282 T283	Y210-K256 HydrophobicContact CE2-CD 4.49Å; S213-K256 PolarHBondContact OG-NZ 3.14Å; L214-K256 HydrophobicContact CD2-CB 3.69Å; L214-K256 HydrophobicContact CD2-CD 3.84Å; L214-K256 HydrophobicContact CD2-CG 4.44Å; L244-K256 CarbonylContact C-O 3.1Å; L244-K256 WeakPolarHBondContact CA-O 3.36Å; S245-K256 PolarHBondContact N-O 3.03Å; S245-K256 PolarHBondContact O-N 3.11Å; S245-K256 PolarHBondContact OG-O 3.18Å; T254-K256 HydrophobicContact CG2-CG 4.13Å; K256-L282 CarbonylContact C-O 3.11Å; K256-L282 WeakPolarHBondContact CA-O 3.46Å; K256-T283 HydrophobicContact CG-CG2 4.2Å
257	W	92.9	Very high	80.2	Confident	2 Å²	2	40 Å²	40	1%	0.008	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	129.9	169.7	-178.3	90.4	0	0	0	109.5	V229 V231 L240 Y243 L244 P259 Y280 A281 L282 L317	V229-W257 PolarHBondContact O-NE1 3.35Å; V231-W257 HydrophobicContact CB-CD2 4.26Å; V231-W257 HydrophobicContact CB-CE3 4.32Å; V231-W257 HydrophobicContact CB-CH2 3.74Å; V231-W257 HydrophobicContact CB-CZ2 3.64Å; V231-W257 HydrophobicContact CB-CZ3 4.07Å; V231-W257 HydrophobicContact CG1-CZ3 4.48Å; V231-W257 HydrophobicContact CG2-CD2 3.64Å; V231-W257 VanDerWaalsContact CG2-CE2 3.42Å; V231-W257 HydrophobicContact CG2-CE3 4.08Å; V231-W257 HydrophobicContact CG2-CG 4.08Å; V231-W257 HydrophobicContact CG2-CH2 4.18Å; V231-W257 HydrophobicContact CG2-CZ2 3.72Å; V231-W257 HydrophobicContact CG2-CZ3 4.33Å; L240-W257 HydrophobicContact CB-CH2 3.87Å; L240-W257 HydrophobicContact CB-CZ2 4.38Å; Y243-W257 WeakPolarHBondContact O-CA 3.44Å; L244-W257 HydrophobicContact CD1-CB 3.85Å; L244-W257 HydrophobicContact CD1-CG 4.41Å; W257-P259 HydrophobicContact CE3-CG 4.49Å; W257-P259 HydrophobicContact CH2-CB 4.35Å; W257-P259 HydrophobicContact CH2-CG 3.83Å; W257-P259 HydrophobicContact CZ3-CG 3.62Å; W257-Y280 WeakPolarHBondContact CZ3-O 3.36Å; W257-A281 CarbonylContact O-C 3.47Å; W257-A281 WeakPolarHBondContact O-CA 3.46Å; W257-L282 HydrophobicContact CB-CB 4.1Å; W257-L282 HydrophobicContact CB-CD1 4.26Å; W257-L282 HydrophobicContact CB-CG 4.48Å; W257-L282 HydrophobicContact CE3-CD1 4.41Å; W257-L282 HydrophobicContact CE3-CG 4.31Å; W257-L282 PolarHBondContact N-O 3.43Å; W257-L282 PolarHBondContact O-N 2.92Å; W257-L317 HydrophobicContact CB-CD2 4.28Å; W257-L317 HydrophobicContact CG-CD2 4.04Å
258	T	90.2	Very high	78.4	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	128.1	-175.5	-52.7	0	0	0	0	110.1	Y210 L214 G242 Y243 L262 I263	Y210-T258 HydrophobicContact CE1-CG2 4.15Å; Y210-T258 WeakPolarHBondContact CE1-OG1 3.39Å; L214-T258 HydrophobicContact CD1-CG2 4.01Å; L214-T258 VanDerWaalsContact CD1-OG1 3.29Å; L214-T258 WeakPolarHBondContact CD1-OG1 3.24Å; L214-T258 WeakPolarHBondContact CD2-OG1 3.17Å; G242-T258 CarbonylContact C-O 3.58Å; G242-T258 WeakPolarHBondContact CA-O 3.31Å; Y243-T258 PolarHBondContact N-O 3.27Å; Y243-T258 PolarHBondContact O-N 3.26Å; T258-L262 HydrophobicContact CG2-CB 4.1Å; T258-L262 HydrophobicContact CG2-CD1 4.15Å; T258-I263 HydrophobicContact CG2-CD1 4.23Å; T258-I263 HydrophobicContact CG2-CG1 4Å
259	P	89.1	Confident	76.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	138.5	175	-25.6	31.9	0	0	0	112.8	W257 Q261 L262	W257-P259 HydrophobicContact CE3-CG 4.49Å; W257-P259 HydrophobicContact CH2-CB 4.35Å; W257-P259 HydrophobicContact CH2-CG 3.83Å; W257-P259 HydrophobicContact CZ3-CG 3.62Å; P259-Q261 PolarHBondContact O-N 3.32Å; P259-L262 HydrophobicContact CG-CD1 4.43Å; P259-L262 WeakPolarHBondContact O-CB 3.45Å; P259-L262 PolarHBondContact O-N 2.9Å
260	N	85.1	Confident	75.1	Confident	16 Å²	16	46.3 Å²	46.3	9%	0.086	29%	0.291	C	S	.	.	H	α-helix	trans	-63.8	-24.4	-178.9	-76	-7.1	0	0	0	112.8	N227 N228 R241 G242 Y243 L262 I263 N264	N227-N260 PolarHBondContact OD1-ND2 2.49Å; N227-N260 PolarHBondContact OD1-OD1 2.99Å; N228-N260 PolarHBondContact OD1-ND2 2.93Å; R241-N260 WeakPolarHBondContact O-CB 3.46Å; R241-N260 PolarHBondContact O-N 2.92Å; G242-N260 WeakPolarHBondContact CA-OD1 3.33Å; Y243-N260 PolarHBondContact N-OD1 2.97Å; N260-L262 PolarHBondContact O-N 3.07Å; N260-I263 PolarHBondContact O-N 3.12Å; N260-I263 VanDerWaalsContact O-N 3.11Å; N260-N264 WeakPolarHBondContact O-CB 3.46Å; N260-N264 PolarHBondContact O-N 3.37Å
261	Q	82.5	Confident	73.6	Confident	57 Å²	57	48.4 Å²	48.4	27%	0.266	29%	0.289	S	S	.	.	H	α-helix	trans	-57.2	-31.2	172.9	-67.1	81.7	-6	0	0	112	P259 Y277	P259-Q261 PolarHBondContact O-N 3.32Å; Q261-Y277 HydrophobicContact CB-CD2 3.79Å; Q261-Y277 HydrophobicContact CB-CE2 4.03Å; Q261-Y277 HydrophobicContact CB-CG 4.14Å; Q261-Y277 HydrophobicContact CG-CD2 4.18Å; Q261-Y277 HydrophobicContact CG-CE1 4.32Å; Q261-Y277 HydrophobicContact CG-CE2 3.96Å
262	L	77.3	Confident	72.9	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.016	27%	0.273	C	S	.	.	H	α-helix	trans	-86.5	-23.8	177.7	-61.3	177.7	0	0	0	113	T258 P259 N260 L272 S275 W278	T258-L262 HydrophobicContact CG2-CB 4.1Å; T258-L262 HydrophobicContact CG2-CD1 4.15Å; P259-L262 HydrophobicContact CG-CD1 4.43Å; P259-L262 WeakPolarHBondContact O-CB 3.45Å; P259-L262 PolarHBondContact O-N 2.9Å; N260-L262 PolarHBondContact O-N 3.07Å; L262-L272 HydrophobicContact CD2-CD1 4.12Å; L262-S275 WeakPolarHBondContact CD2-OG 3.3Å; L262-W278 HydrophobicContact CB-CZ2 4.37Å; L262-W278 HydrophobicContact CD1-CD2 3.58Å; L262-W278 HydrophobicContact CD1-CE3 3.66Å; L262-W278 HydrophobicContact CD1-CG 4.08Å; L262-W278 HydrophobicContact CD1-CH2 4.16Å; L262-W278 HydrophobicContact CD1-CZ2 4.08Å; L262-W278 HydrophobicContact CD1-CZ3 3.96Å; L262-W278 HydrophobicContact CD2-CD2 4.17Å; L262-W278 HydrophobicContact CD2-CG 4.31Å; L262-W278 HydrophobicContact CD2-CZ2 4.09Å; L262-W278 HydrophobicContact CG-CD2 4.49Å; L262-W278 HydrophobicContact CG-CZ2 4.42Å
263	I	72.1	Confident	71.8	Confident	41 Å²	41	44.4 Å²	44.4	21%	0.21	27%	0.266	C	S	.	.	H	α-helix	trans	-88.7	-36.9	-175	-61.1	173.7	0	0	0	111.9	L214 Y243 T258 N260 G265	L214-I263 HydrophobicContact CD1-CD1 4.13Å; L214-I263 HydrophobicContact CD1-CG1 4.3Å; Y243-I263 HydrophobicContact CG-CD1 4.2Å; T258-I263 HydrophobicContact CG2-CD1 4.23Å; T258-I263 HydrophobicContact CG2-CG1 4Å; N260-I263 PolarHBondContact O-N 3.12Å; N260-I263 VanDerWaalsContact O-N 3.11Å; I263-G265 VanDerWaalsContact C-N 3.31Å; I263-G265 PolarHBondContact O-N 3.13Å
264	N	63.3	Low	70.2	Confident	102 Å²	102	52.6 Å²	52.6	55%	0.545	30%	0.301	S	S	.	.	S	Bend	trans	-85	2.9	-170.6	-73.1	-10.8	0	0	0	114.5	N260 T266	N260-N264 WeakPolarHBondContact O-CB 3.46Å; N260-N264 PolarHBondContact O-N 3.37Å; N264-T266 PolarHBondContact O-N 2.77Å
265	G	56.4	Low	69.3	Low	52 Å²	52	51.8 Å²	51.8	54%	0.536	30%	0.296	S	S	.	.			trans	57.1	22.3	168.5	0	0	0	0	0	115.8	I263 L267	I263-G265 VanDerWaalsContact C-N 3.31Å; I263-G265 PolarHBondContact O-N 3.13Å; G265-L267 VanDerWaalsContact C-N 3.28Å; G265-L267 PolarHBondContact O-N 3.39Å
266	T	46.6	Very low	68.5	Low	120 Å²	120	56.4 Å²	56.4	74%	0.736	32%	0.32	S	S	*	.			trans	-79.4	-9.6	-179.4	35.9	0	0	0	0	113.7	N264	N264-T266 PolarHBondContact O-N 2.77Å
267	L	52.3	Low	67.9	Low	60 Å²	60	58.1 Å²	58.1	31%	0.314	33%	0.326	S	S	.	.	S	Bend	trans	-93.3	136.8	168.7	-77.5	87.4	0	0	0	108.5	G265 D271	G265-L267 VanDerWaalsContact C-N 3.28Å; G265-L267 PolarHBondContact O-N 3.39Å; L267-D271 HydrophobicContact CB-CB 4.15Å; L267-D271 HydrophobicContact CD2-CB 4.03Å
268	G	53.5	Low	67.4	Low	45 Å²	45	60.7 Å²	60.7	46%	0.464	34%	0.336	S	S	.	.			trans	-56.2	156.5	176.2	0	0	0	0	0	111.8	C270 D271 L272	G268-C270 PolarHBondContact O-N 3.35Å; G268-D271 PolarHBondContact O-N 2.97Å; G268-L272 PolarHBondContact O-N 3.44Å
269	D	53.5	Low	67	Low	98 Å²	98	67 Å²	67	52%	0.524	37%	0.37	S	S	.	.	H	α-helix	trans	-52	-33.8	-172.9	-81.8	-24.7	0	0	0	113.9	R208	R208-D269 IonicContact CZ-OD1 2.67Å; R208-D269 IonicContact NH2-OD1 3.65Å; R208-D269 PolarHBondContact NH2-OD1 2.63Å; R208-D269 IonicContact NH2-OD2 3.68Å; R208-D269 PolarHBondContact NH2-OD2 3.31Å
270	C	50.4	Low	66.7	Low	87 Å²	87	69 Å²	69	59%	0.588	38%	0.377	S	S	*	.	H	α-helix	trans	-80.1	-20.2	177.3	-63.5	0	0	0	0	114.9	G268	G268-C270 PolarHBondContact O-N 3.35Å
271	D	52.8	Low	66.7	Low	103 Å²	103	69.4 Å²	69.4	55%	0.551	38%	0.383	S	S	*	.	H	α-helix	trans	-93.2	-20	-178.4	-67.2	-33.7	0	0	0	112.2	L267 G268 E273 S275	L267-D271 HydrophobicContact CB-CB 4.15Å; L267-D271 HydrophobicContact CD2-CB 4.03Å; G268-D271 PolarHBondContact O-N 2.97Å; D271-E273 VanDerWaalsContact C-N 3.34Å; D271-S275 PolarHBondContact O-N 3.25Å
272	L	57.8	Low	66.9	Low	19 Å²	19	68.2 Å²	68.2	10%	0.099	38%	0.379	C	S	.	.	H	α-helix	trans	-68.6	-32.1	177.3	-165.5	69.5	0	0	0	112.3	L262 G268 S275 W278	L262-L272 HydrophobicContact CD2-CD1 4.12Å; G268-L272 PolarHBondContact O-N 3.44Å; L272-S275 VanDerWaalsContact O-CB 3.24Å; L272-S275 WeakPolarHBondContact O-CB 3.26Å; L272-W278 PolarHBondContact O-NE1 3.13Å
273	E	60.5	Low	67.5	Low	51 Å²	51	71.3 Å²	71.3	24%	0.238	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-31.2	-177.7	-61.1	-175.4	133	0	0	113.9	F203 A204 D271 S275	F203-E273 VanDerWaalsContact C-OE1 3.26Å; A204-E273 WeakPolarHBondContact CA-OE1 3.47Å; A204-E273 HydrophobicContact CB-CG 4.29Å; A204-E273 WeakPolarHBondContact CB-OE1 3.15Å; A204-E273 PolarHBondContact N-OE1 3.03Å; D271-E273 VanDerWaalsContact C-N 3.34Å; E273-S275 VanDerWaalsContact C-N 3.32Å
274	K	58.7	Low	68.3	Low	181 Å²	181	69.7 Å²	69.7	79%	0.787	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	10.4	178.4	-63.8	-179	-176	172.1	0	112.8	I276	K274-I276 PolarHBondContact O-N 3.24Å
275	S	73.6	Confident	69.6	Low	13 Å²	13	67 Å²	67	9%	0.091	38%	0.378	C	S	.	.			trans	-67.7	118.7	-176.1	178.8	0	0	0	0	110.4	L262 D271 L272 E273 Y277 W278	L262-S275 WeakPolarHBondContact CD2-OG 3.3Å; D271-S275 PolarHBondContact O-N 3.25Å; L272-S275 VanDerWaalsContact O-CB 3.24Å; L272-S275 WeakPolarHBondContact O-CB 3.26Å; E273-S275 VanDerWaalsContact C-N 3.32Å; S275-Y277 PolarHBondContact O-N 3.33Å; S275-Y277 VanDerWaalsContact OG-CD2 3.24Å; S275-Y277 WeakPolarHBondContact OG-CD2 3.43Å; S275-Y277 PolarHBondContact OG-N 3.18Å; S275-W278 PolarHBondContact O-N 2.91Å; S275-W278 VanDerWaalsContact O-N 3.1Å
276	I	77.3	Confident	71.2	Confident	102 Å²	102	64.5 Å²	64.5	52%	0.523	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-55.2	-15.6	173.2	63	168.7	0	0	0	113	K274 W278 D279 Y280	K274-I276 PolarHBondContact O-N 3.24Å; I276-W278 PolarHBondContact O-N 2.91Å; I276-D279 PolarHBondContact O-N 3.39Å; I276-Y280 VanDerWaalsContact O-CE2 3.26Å; I276-Y280 WeakPolarHBondContact O-CE2 3.43Å
277	Y	79.7	Confident	73.1	Confident	69 Å²	69	64.6 Å²	64.6	27%	0.271	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-70.7	-17.5	179.4	-61.8	-68	0	0	0	113.3	L240 Q261 S275 D279 Y280	L240-Y277 HydrophobicContact CD1-CD1 4.16Å; L240-Y277 HydrophobicContact CD1-CE1 4.44Å; L240-Y277 HydrophobicContact CD2-CE1 4.1Å; Q261-Y277 HydrophobicContact CB-CD2 3.79Å; Q261-Y277 HydrophobicContact CB-CE2 4.03Å; Q261-Y277 HydrophobicContact CB-CG 4.14Å; Q261-Y277 HydrophobicContact CG-CD2 4.18Å; Q261-Y277 HydrophobicContact CG-CE1 4.32Å; Q261-Y277 HydrophobicContact CG-CE2 3.96Å; S275-Y277 PolarHBondContact O-N 3.33Å; S275-Y277 VanDerWaalsContact OG-CD2 3.24Å; S275-Y277 WeakPolarHBondContact OG-CD2 3.43Å; S275-Y277 PolarHBondContact OG-N 3.18Å; Y277-D279 VanDerWaalsContact C-N 3.29Å; Y277-D279 PolarHBondContact O-N 3.28Å; Y277-Y280 HydrophobicContact CD1-CD2 4.19Å; Y277-Y280 HydrophobicContact CD1-CE2 4.42Å; Y277-Y280 PolarHBondContact O-N 3.28Å
278	W	82.7	Confident	74.8	Confident	55 Å²	55	65.8 Å²	65.8	21%	0.208	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-65.2	-32.8	175.3	-76.2	113.8	0	0	0	112.8	A207 Y210 V211 L262 L272 S275 I276 Y280 A281	A207-W278 HydrophobicContact CB-CH2 4.19Å; A207-W278 HydrophobicContact CB-CZ2 3.59Å; Y210-W278 AromaticContact CD1-CH2 3.87Å; Y210-W278 HydrophobicContact CD1-CH2 3.87Å; Y210-W278 AromaticContact CD1-CZ3 3.46Å; Y210-W278 HydrophobicContact CD1-CZ3 3.46Å; Y210-W278 VanDerWaalsContact CD1-CZ3 3.46Å; Y210-W278 AromaticContact CE1-CZ3 3.86Å; Y210-W278 HydrophobicContact CE1-CZ3 3.86Å; Y210-W278 HydrophobicContact CG-CH2 4.42Å; Y210-W278 HydrophobicContact CG-CZ3 4.02Å; V211-W278 HydrophobicContact CG2-CH2 4.14Å; L262-W278 HydrophobicContact CB-CZ2 4.37Å; L262-W278 HydrophobicContact CD1-CD2 3.58Å; L262-W278 HydrophobicContact CD1-CE3 3.66Å; L262-W278 HydrophobicContact CD1-CG 4.08Å; L262-W278 HydrophobicContact CD1-CH2 4.16Å; L262-W278 HydrophobicContact CD1-CZ2 4.08Å; L262-W278 HydrophobicContact CD1-CZ3 3.96Å; L262-W278 HydrophobicContact CD2-CD2 4.17Å; L262-W278 HydrophobicContact CD2-CG 4.31Å; L262-W278 HydrophobicContact CD2-CZ2 4.09Å; L262-W278 HydrophobicContact CG-CD2 4.49Å; L262-W278 HydrophobicContact CG-CZ2 4.42Å; L272-W278 PolarHBondContact O-NE1 3.13Å; S275-W278 PolarHBondContact O-N 2.91Å; S275-W278 VanDerWaalsContact O-N 3.1Å; I276-W278 PolarHBondContact O-N 2.91Å; W278-Y280 PolarHBondContact O-N 2.88Å; W278-Y280 VanDerWaalsContact O-N 3.11Å; W278-A281 HydrophobicContact CE3-CB 4.41Å; W278-A281 PolarHBondContact O-N 3.45Å; W278-A281 VanDerWaalsContact O-N 3.14Å
279	D	81.6	Confident	76.5	Confident	134 Å²	134	63.7 Å²	63.7	72%	0.717	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-65.2	-14.7	177.2	-61.7	-24.7	0	0	0	112.7	I276 Y277	I276-D279 PolarHBondContact O-N 3.39Å; Y277-D279 VanDerWaalsContact C-N 3.29Å; Y277-D279 PolarHBondContact O-N 3.28Å
280	Y	82.8	Confident	78	Confident	40 Å²	40	60.1 Å²	60.1	16%	0.157	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-104.7	-4.8	179.5	-48.1	-51.8	0	0	0	113.6	P233 M237 L240 W257 I276 Y277 W278	P233-Y280 HydrophobicContact CB-CD1 3.49Å; P233-Y280 VanDerWaalsContact CB-CD1 3.49Å; P233-Y280 HydrophobicContact CB-CE1 3.95Å; P233-Y280 HydrophobicContact CB-CG 4.07Å; P233-Y280 HydrophobicContact CG-CD1 3.84Å; P233-Y280 HydrophobicContact CG-CE1 4.45Å; P233-Y280 HydrophobicContact CG-CG 3.88Å; M237-Y280 HydrophobicContact CE-CE1 4.42Å; M237-Y280 HydrophobicContact CE-CE2 3.96Å; M237-Y280 WeakPolarHBondContact CE-OH 3.45Å; M237-Y280 HydrophobicContact SD-CE1 4.27Å; L240-Y280 HydrophobicContact CD1-CD2 3.94Å; L240-Y280 HydrophobicContact CD1-CG 4.38Å; W257-Y280 WeakPolarHBondContact CZ3-O 3.36Å; I276-Y280 VanDerWaalsContact O-CE2 3.26Å; I276-Y280 WeakPolarHBondContact O-CE2 3.43Å; Y277-Y280 HydrophobicContact CD1-CD2 4.19Å; Y277-Y280 HydrophobicContact CD1-CE2 4.42Å; Y277-Y280 PolarHBondContact O-N 3.28Å; W278-Y280 PolarHBondContact O-N 2.88Å; W278-Y280 VanDerWaalsContact O-N 3.11Å
281	A	85.4	Confident	79.8	Confident	25 Å²	25	57 Å²	57	21%	0.207	28%	0.282	C	S	.	.			trans	-69.4	132.7	176.5	0	0	0	0	0	110.1	W257 W278	W257-A281 CarbonylContact O-C 3.47Å; W257-A281 WeakPolarHBondContact O-CA 3.46Å; W278-A281 HydrophobicContact CE3-CB 4.41Å; W278-A281 PolarHBondContact O-N 3.45Å; W278-A281 VanDerWaalsContact O-N 3.14Å
282	L	86.7	Confident	81.6	Confident	32 Å²	32	52.1 Å²	52.1	17%	0.168	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	133.1	-178.9	-56.6	174.2	0	0	0	109.7	K256 W257	K256-L282 CarbonylContact C-O 3.11Å; K256-L282 WeakPolarHBondContact CA-O 3.46Å; W257-L282 HydrophobicContact CB-CB 4.1Å; W257-L282 HydrophobicContact CB-CD1 4.26Å; W257-L282 HydrophobicContact CB-CG 4.48Å; W257-L282 HydrophobicContact CE3-CD1 4.41Å; W257-L282 HydrophobicContact CE3-CG 4.31Å; W257-L282 PolarHBondContact N-O 3.43Å; W257-L282 PolarHBondContact O-N 2.92Å
283	T	90.5	Very high	83.1	Confident	69 Å²	69	53.1 Å²	53.1	42%	0.423	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	114.3	165.1	-68.9	0	0	0	0	107.9	Y210 T254 L255 K256	Y210-T283 PolarHBondContact OH-OG1 3.42Å; T254-T283 HydrophobicContact CG2-CG2 3.74Å; L255-T283 CarbonylContact O-C 3.56Å; L255-T283 WeakPolarHBondContact O-CA 3.32Å; K256-T283 HydrophobicContact CG-CG2 4.2Å
284	V	89.3	Confident	84.4	Confident	6 Å²	6	50.8 Å²	50.8	4%	0.036	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	110.5	-171.1	-177.2	0	0	0	0	109.3	L255 L286 I289 L306	L255-V284 HydrophobicContact CB-CB 4.4Å; L255-V284 PolarHBondContact N-O 3.4Å; L255-V284 PolarHBondContact O-N 2.86Å; V284-L286 PolarHBondContact O-N 3.2Å; V284-I289 HydrophobicContact CG1-CD1 3.65Å; V284-I289 HydrophobicContact CG1-CG1 3.77Å; V284-L306 HydrophobicContact CG1-CD1 4.37Å
285	P	90.4	Very high	85.6	Confident	46 Å²	46	45 Å²	45	30%	0.299	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	124	168.5	-17.5	31.4	0	0	0	110.2	R287 Q288	P285-R287 PolarHBondContact O-N 3.4Å; P285-R287 VanDerWaalsContact O-N 3.14Å; P285-Q288 HydrophobicContact CB-CG 4.34Å; P285-Q288 WeakPolarHBondContact O-CB 3.42Å; P285-Q288 PolarHBondContact O-N 2.56Å
286	L	89.6	Confident	85.5	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-64.8	-21.7	-176.4	-85	-64	0	0	0	113	L246 L253 L255 V284 Q288 I289 L332 I387	L246-L286 HydrophobicContact CD1-CD2 3.82Å; L246-L286 HydrophobicContact CD1-CG 4.46Å; L253-L286 HydrophobicContact CB-CB 3.83Å; L253-L286 HydrophobicContact CB-CD2 4.1Å; L253-L286 HydrophobicContact CB-CG 3.96Å; L253-L286 PolarHBondContact O-N 3.05Å; L255-L286 HydrophobicContact CB-CD2 3.75Å; V284-L286 PolarHBondContact O-N 3.2Å; L286-Q288 PolarHBondContact O-N 3.26Å; L286-I289 HydrophobicContact CD1-CG1 4.45Å; L286-I289 PolarHBondContact O-N 2.99Å; L286-L332 HydrophobicContact CD1-CD1 3.85Å; L286-L332 HydrophobicContact CG-CD1 3.88Å; L286-I387 HydrophobicContact CD1-CD1 4.07Å
287	R	85.8	Confident	84.9	Confident	122 Å²	122	49.8 Å²	49.8	46%	0.46	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-60.9	-26.1	173.1	-69.8	-173	178	-169.2	1.3	113.2	N252 P285 I289 Q309	N252-R287 PolarHBondContact OD1-NE 3.35Å; N252-R287 PolarHBondContact OD1-NH2 2.88Å; P285-R287 PolarHBondContact O-N 3.4Å; P285-R287 VanDerWaalsContact O-N 3.14Å; R287-I289 VanDerWaalsContact C-N 3.3Å; R287-Q309 PolarHBondContact O-NE2 3.41Å
288	Q	87.9	Confident	83.7	Confident	85 Å²	85	49.9 Å²	49.9	40%	0.397	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-83.4	-7.8	178	-64.3	176.5	-7.4	0	0	112.6	P285 L286 S308 Q309	P285-Q288 HydrophobicContact CB-CG 4.34Å; P285-Q288 WeakPolarHBondContact O-CB 3.42Å; P285-Q288 PolarHBondContact O-N 2.56Å; L286-Q288 PolarHBondContact O-N 3.26Å; Q288-S308 CarbonylContact O-C 3.48Å; Q288-S308 WeakPolarHBondContact O-CA 3.48Å; Q288-Q309 PolarHBondContact O-N 3.38Å
289	I	89.3	Confident	82.4	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.6	-176.6	-58.8	-51.3	0	0	0	109.6	V284 L286 R287 C291 I292 L306 V307 I387	V284-I289 HydrophobicContact CG1-CD1 3.65Å; V284-I289 HydrophobicContact CG1-CG1 3.77Å; L286-I289 HydrophobicContact CD1-CG1 4.45Å; L286-I289 PolarHBondContact O-N 2.99Å; R287-I289 VanDerWaalsContact C-N 3.3Å; I289-C291 WeakPolarHBondContact CG2-O 3.38Å; I289-I292 HydrophobicContact CG2-CG1 4Å; I289-L306 HydrophobicContact CD1-CB 3.92Å; I289-L306 HydrophobicContact CG1-CB 4.35Å; I289-L306 HydrophobicContact CG2-CB 4.27Å; I289-L306 HydrophobicContact CG2-CD2 4.29Å; I289-V307 WeakPolarHBondContact CA-O 3.3Å; I289-I387 HydrophobicContact CB-CD1 4.04Å; I289-I387 HydrophobicContact CG2-CD1 3.96Å
290	V	85.4	Confident	81.3	Confident	22 Å²	22	51 Å²	51	13%	0.133	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-43.7	179.6	179.9	0	0	0	0	110.7	V307 Q309 R386 I387 Y394	V290-V307 PolarHBondContact N-O 3.44Å; V290-Q309 HydrophobicContact CG2-CB 4.04Å; V290-Q309 HydrophobicContact CG2-CG 3.38Å; V290-R386 WeakPolarHBondContact O-CA 3.34Å; V290-R386 WeakPolarHBondContact O-CG 3.35Å; V290-I387 PolarHBondContact O-N 2.81Å; V290-Y394 HydrophobicContact CG2-CE1 4.28Å
291	C	89.1	Confident	80.7	Confident	22 Å²	22	49.8 Å²	49.8	15%	0.149	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	155.6	177.4	70.6	0	0	0	0	113.4	I289 H293 V307 V384 F385	I289-C291 WeakPolarHBondContact CG2-O 3.38Å; C291-H293 PolarHBondContact SG-NE2 3.1Å; C291-H293 VanDerWaalsContact SG-NE2 3.4Å; C291-V307 PolarHBondContact O-N 2.91Å; C291-V307 WeakPolarHBondContact SG-CB 3.31Å; C291-V307 WeakPolarHBondContact SG-CG2 3.44Å; C291-V384 HydrophobicContact CB-CG1 4.37Å; C291-F385 CarbonylContact C-O 3.15Å; C291-F385 VanDerWaalsContact CA-O 3.24Å; C291-F385 WeakPolarHBondContact CA-O 3.04Å
292	I	90.9	Very high	80.6	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	117.9	-178.5	-59.8	-175.2	0	0	0	107.5	I289 L304 L306 L329 L332 L342 V384 F385 I387	I289-I292 HydrophobicContact CG2-CG1 4Å; I292-L304 HydrophobicContact CG2-CD1 3.18Å; I292-L304 HydrophobicContact CG2-CG 4.22Å; I292-L306 HydrophobicContact CB-CD2 4.44Å; I292-L306 HydrophobicContact CD1-CD2 4.13Å; I292-L306 HydrophobicContact CG1-CD2 3.81Å; I292-L306 HydrophobicContact CG2-CD2 4.15Å; I292-L329 HydrophobicContact CG2-CD2 4.43Å; I292-L332 HydrophobicContact CD1-CD2 3.34Å; I292-L342 HydrophobicContact CD1-CD2 4.39Å; I292-V384 WeakPolarHBondContact O-CA 3.29Å; I292-F385 HydrophobicContact CB-CB 4.37Å; I292-F385 PolarHBondContact N-O 3.32Å; I292-F385 PolarHBondContact O-N 3.45Å; I292-I387 HydrophobicContact CD1-CD1 3.99Å; I292-I387 HydrophobicContact CD1-CG1 4.21Å; I292-I387 HydrophobicContact CG1-CD1 4.37Å; I292-I387 HydrophobicContact CG1-CG1 4.43Å
293	H	88.1	Confident	80.6	Confident	40 Å²	40	48.6 Å²	48.6	19%	0.185	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123	176.8	-66.5	-161	0	0	0	109.3	C291 L304 V305	C291-H293 PolarHBondContact SG-NE2 3.1Å; C291-H293 VanDerWaalsContact SG-NE2 3.4Å; H293-L304 CarbonylContact O-C 3.11Å; H293-L304 WeakPolarHBondContact O-CA 3.25Å; H293-V305 HydrophobicContact CB-CB 4.24Å; H293-V305 PolarHBondContact N-O 3.24Å; H293-V305 PolarHBondContact O-N 3.26Å
294	C	87.4	Confident	80.6	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.02	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	118.1	-176.3	-72.4	0	0	0	0	109	T303 L304 L325 D382 Y383 F385	C294-T303 CarbonylContact C-O 3.54Å; C294-T303 VanDerWaalsContact CA-O 3.32Å; C294-T303 WeakPolarHBondContact CA-O 3.49Å; C294-L304 VanDerWaalsContact SG-CD1 3.51Å; C294-L325 HydrophobicContact CB-CD2 4.18Å; C294-D382 CarbonylContact O-C 3.5Å; C294-D382 WeakPolarHBondContact O-CA 3.49Å; C294-Y383 PolarHBondContact N-O 2.85Å; C294-Y383 PolarHBondContact O-N 3.46Å; C294-F385 HydrophobicContact CB-CE2 4.27Å
295	H	84.1	Confident	80.7	Confident	60 Å²	60	45.6 Å²	45.6	28%	0.278	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	120.1	177.9	-52.2	74.6	0	0	0	108.4	T303 D382	H295-T303 PolarHBondContact N-O 3.2Å; H295-T303 PolarHBondContact O-N 2.92Å; H295-D382 WeakPolarHBondContact CA-OD1 2.88Å; H295-D382 WeakPolarHBondContact CB-OD1 3.39Å; H295-D382 IonicContact CD2-OD1 2.72Å; H295-D382 PolarHBondContact CD2-OD1 2.81Å; H295-D382 IonicContact CD2-OD2 3.51Å; H295-D382 IonicContact CG-OD1 3.38Å
296	Q	72.4	Confident	80.7	Confident	58 Å²	58	43.6 Å²	43.6	27%	0.271	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	117.7	178.3	-171.9	178.6	-11.6	0	0	110.4	A380 A381	Q296-A380 WeakPolarHBondContact O-CA 3.23Å; Q296-A381 PolarHBondContact N-O 3.33Å; Q296-A381 PolarHBondContact O-N 2.91Å
297	R	64.1	Low	80.6	Confident	156 Å²	156	44.5 Å²	44.5	59%	0.589	23%	0.227	S	C	*	.			trans	-101.5	148.1	172.3	-69.1	179.2	-178.1	179.8	2.2	109.8	D299 C300 A380	R297-D299 VanDerWaalsContact C-N 3.25Å; R297-D299 PolarHBondContact O-N 2.63Å; R297-C300 WeakPolarHBondContact CB-SG 3.41Å; R297-C300 WeakPolarHBondContact CD-SG 3.45Å; R297-A380 HydrophobicContact CG-CB 4.14Å
298	P	54.9	Low	80.6	Confident	71 Å²	71	39 Å²	39	46%	0.461	21%	0.207	S	C	.	.	S	Bend	trans	-64.7	-27.5	-175.6	-22	33.5	0	0	0	114.1	Q378	P298-Q378 HydrophobicContact CG-CB 4.05Å
299	D	55.8	Low	80.2	Confident	150 Å²	150	40.5 Å²	40.5	80%	0.802	21%	0.214	S	C	*	.	S	Bend	trans	-114.7	-13.2	-167	-37.2	-42	0	0	0	113.4	R297	R297-D299 VanDerWaalsContact C-N 3.25Å; R297-D299 PolarHBondContact O-N 2.63Å
300	C	56.7	Low	79.6	Confident	62 Å²	62	45.4 Å²	45.4	42%	0.419	24%	0.24	S	C	.	.	S	Bend	trans	-126.7	142.5	178.4	34.4	0	0	0	0	109.2	R297	R297-C300 WeakPolarHBondContact CB-SG 3.41Å; R297-C300 WeakPolarHBondContact CD-SG 3.45Å
301	G	70.1	Confident	79.1	Confident	16 Å²	16	46.6 Å²	46.6	17%	0.165	26%	0.258	C	S	.	.			trans	-59.8	166.7	-177.1	0	0	0	0	0	112.8	F319	G301-F319 CarbonylContact C-O 3.59Å; G301-F319 WeakPolarHBondContact CA-O 3.42Å
302	G	83.6	Confident	78.7	Confident	8 Å²	8	50 Å²	50	8%	0.082	27%	0.273	C	S	.	.			trans	-64.8	142.4	-172.9	0	0	0	0	0	112.9	F319	G302-F319 WeakPolarHBondContact O-CB 3.32Å; G302-F319 WeakPolarHBondContact O-CD2 3.27Å; G302-F319 PolarHBondContact O-N 3Å
303	T	87.3	Confident	78.4	Confident	24 Å²	24	56.4 Å²	56.4	15%	0.147	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.7	174.8	-57.3	0	0	0	0	109.9	C294 H295 V305 P316 L317 H318	C294-T303 CarbonylContact C-O 3.54Å; C294-T303 VanDerWaalsContact CA-O 3.32Å; C294-T303 WeakPolarHBondContact CA-O 3.49Å; H295-T303 PolarHBondContact N-O 3.2Å; H295-T303 PolarHBondContact O-N 2.92Å; T303-V305 HydrophobicContact CG2-CG2 4.48Å; T303-P316 HydrophobicContact CG2-CB 3.87Å; T303-L317 WeakPolarHBondContact CA-O 3.07Å; T303-H318 WeakPolarHBondContact CG2-ND1 3.48Å; T303-H318 PolarHBondContact OG1-ND1 3.15Å
304	L	90.7	Very high	78.2	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126.8	-179.3	-179.6	83.7	0	0	0	109.5	I292 H293 C294 L306 L317 F319 L325 F328 L329	I292-L304 HydrophobicContact CG2-CD1 3.18Å; I292-L304 HydrophobicContact CG2-CG 4.22Å; H293-L304 CarbonylContact O-C 3.11Å; H293-L304 WeakPolarHBondContact O-CA 3.25Å; C294-L304 VanDerWaalsContact SG-CD1 3.51Å; L304-L306 HydrophobicContact CD2-CD2 4.18Å; L304-L306 HydrophobicContact CG-CD2 4.23Å; L304-L317 HydrophobicContact CB-CB 4.15Å; L304-L317 HydrophobicContact CD2-CD1 3.93Å; L304-L317 PolarHBondContact N-O 3.38Å; L304-L317 PolarHBondContact O-N 3.46Å; L304-F319 HydrophobicContact CB-CD2 4.46Å; L304-F319 HydrophobicContact CB-CE2 3.84Å; L304-F319 HydrophobicContact CD2-CE2 4.07Å; L304-F319 HydrophobicContact CD2-CZ 4.42Å; L304-L325 HydrophobicContact CB-CD1 4.11Å; L304-L325 HydrophobicContact CD1-CD1 3.99Å; L304-F328 HydrophobicContact CD1-CD1 4.49Å; L304-F328 HydrophobicContact CD1-CE1 4.17Å; L304-F328 HydrophobicContact CD2-CD1 3.98Å; L304-F328 HydrophobicContact CD2-CE1 3.4Å; L304-F328 HydrophobicContact CD2-CZ 3.97Å; L304-F328 HydrophobicContact CG-CE1 4.46Å; L304-L329 HydrophobicContact CD1-CD2 4.39Å
305	V	90.3	Very high	78.2	Confident	11 Å²	11	59.9 Å²	59.9	7%	0.067	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.2	174.4	-177.9	0	0	0	0	108.1	H293 T303 Q313 P316	H293-V305 HydrophobicContact CB-CB 4.24Å; H293-V305 PolarHBondContact N-O 3.24Å; H293-V305 PolarHBondContact O-N 3.26Å; T303-V305 HydrophobicContact CG2-CG2 4.48Å; V305-Q313 HydrophobicContact CG1-CB 4.24Å; V305-P316 HydrophobicContact CG2-CB 4.01Å; V305-P316 HydrophobicContact CG2-CG 4.1Å
306	L	91.1	Very high	78.4	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.021	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	131.5	-179.9	-55.7	174.3	0	0	0	109.1	L255 V284 I289 I292 L304 R314	L255-L306 HydrophobicContact CD2-CD1 3.5Å; L255-L306 VanDerWaalsContact CD2-CD1 3.5Å; V284-L306 HydrophobicContact CG1-CD1 4.37Å; I289-L306 HydrophobicContact CD1-CB 3.92Å; I289-L306 HydrophobicContact CG1-CB 4.35Å; I289-L306 HydrophobicContact CG2-CB 4.27Å; I289-L306 HydrophobicContact CG2-CD2 4.29Å; I292-L306 HydrophobicContact CB-CD2 4.44Å; I292-L306 HydrophobicContact CD1-CD2 4.13Å; I292-L306 HydrophobicContact CG1-CD2 3.81Å; I292-L306 HydrophobicContact CG2-CD2 4.15Å; L304-L306 HydrophobicContact CD2-CD2 4.18Å; L304-L306 HydrophobicContact CG-CD2 4.23Å; L306-R314 HydrophobicContact CB-CB 4.21Å; L306-R314 HydrophobicContact CB-CG 4.17Å; L306-R314 PolarHBondContact O-N 3.48Å
307	V	87.9	Confident	79.3	Confident	20 Å²	20	56.9 Å²	56.9	12%	0.121	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	123.7	177.6	-169.6	0	0	0	0	109	I289 V290 C291 Q313	I289-V307 WeakPolarHBondContact CA-O 3.3Å; V290-V307 PolarHBondContact N-O 3.44Å; C291-V307 PolarHBondContact O-N 2.91Å; C291-V307 WeakPolarHBondContact SG-CB 3.31Å; C291-V307 WeakPolarHBondContact SG-CG2 3.44Å; V307-Q313 HydrophobicContact CG2-CG 4.2Å
308	S	85.6	Confident	80.6	Confident	5 Å²	5	52.3 Å²	52.3	4%	0.035	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	168.5	-176.2	-51.9	0	0	0	0	111.1	Q288 D310 G311 I312 R314	Q288-S308 CarbonylContact O-C 3.48Å; Q288-S308 WeakPolarHBondContact O-CA 3.48Å; S308-D310 WeakPolarHBondContact CB-OD1 3.23Å; S308-D310 PolarHBondContact O-N 2.95Å; S308-G311 PolarHBondContact O-N 3.44Å; S308-I312 PolarHBondContact N-O 2.99Å; S308-I312 PolarHBondContact OG-O 3.37Å; S308-R314 PolarHBondContact OG-NE 2.87Å
309	Q	78.9	Confident	82.1	Confident	117 Å²	117	49.2 Å²	49.2	55%	0.547	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-28.9	179.9	-75.6	175.3	1.4	0	0	114.2	R287 Q288 V290 G311 Y394	R287-Q309 PolarHBondContact O-NE2 3.41Å; Q288-Q309 PolarHBondContact O-N 3.38Å; V290-Q309 HydrophobicContact CG2-CB 4.04Å; V290-Q309 HydrophobicContact CG2-CG 3.38Å; Q309-G311 PolarHBondContact O-N 3.2Å; Q309-Y394 PolarHBondContact NE2-OH 3.38Å
310	D	77.7	Confident	83.4	Confident	104 Å²	104	43.5 Å²	43.5	56%	0.556	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	1.6	173.7	56.4	8.6	0	0	0	113.3	S308 I312	S308-D310 WeakPolarHBondContact CB-OD1 3.23Å; S308-D310 PolarHBondContact O-N 2.95Å; D310-I312 VanDerWaalsContact C-N 3.26Å; D310-I312 HydrophobicContact CB-CG1 4.39Å; D310-I312 PolarHBondContact O-N 2.88Å; D310-I312 WeakPolarHBondContact OD1-CB 3.5Å; D310-I312 WeakPolarHBondContact OD1-CG1 3.49Å; D310-I312 PolarHBondContact OD1-N 2.97Å; D310-I312 WeakPolarHBondContact OD2-CD1 3.44Å
311	G	74.5	Confident	84.4	Confident	48 Å²	48	45.3 Å²	45.3	50%	0.495	26%	0.257	S	S	.	.	S	Bend	trans	80.3	-0.5	-177.1	0	0	0	0	0	114.5	S308 Q309 Q313	S308-G311 PolarHBondContact O-N 3.44Å; Q309-G311 PolarHBondContact O-N 3.2Å; G311-Q313 PolarHBondContact O-N 3.18Å
312	I	80.3	Confident	84.4	Confident	94 Å²	94	47.6 Å²	47.6	48%	0.482	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-74	124.1	-179.2	-59.5	179.9	0	0	0	110	S308 D310	S308-I312 PolarHBondContact N-O 2.99Å; S308-I312 PolarHBondContact OG-O 3.37Å; D310-I312 VanDerWaalsContact C-N 3.26Å; D310-I312 HydrophobicContact CB-CG1 4.39Å; D310-I312 PolarHBondContact O-N 2.88Å; D310-I312 WeakPolarHBondContact OD1-CB 3.5Å; D310-I312 WeakPolarHBondContact OD1-CG1 3.49Å; D310-I312 PolarHBondContact OD1-N 2.97Å; D310-I312 WeakPolarHBondContact OD2-CD1 3.44Å
313	Q	84.4	Confident	84	Confident	133 Å²	133	49.2 Å²	49.2	62%	0.621	30%	0.296	S	S	*	.	B	Isolated β-bridge	trans	-82.1	127.2	174.5	-58.2	-174.1	35.2	0	0	110.3	V305 V307 G311	V305-Q313 HydrophobicContact CG1-CB 4.24Å; V307-Q313 HydrophobicContact CG2-CG 4.2Å; G311-Q313 PolarHBondContact O-N 3.18Å
314	R	84.5	Confident	83.8	Confident	77 Å²	77	50.4 Å²	50.4	29%	0.291	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-77	154.1	173.7	-58.5	-61.9	-179.5	172.5	-3.2	110.5	L306 S308	L306-R314 HydrophobicContact CB-CB 4.21Å; L306-R314 HydrophobicContact CB-CG 4.17Å; L306-R314 PolarHBondContact O-N 3.48Å; S308-R314 PolarHBondContact OG-NE 2.87Å
315	P	86.7	Confident	83.4	Confident	40 Å²	40	51.1 Å²	51.1	26%	0.26	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-51	137	177.8	-29	36.1	0	0	0	112.5	V231 L317	V231-P315 HydrophobicContact CG1-CB 3.64Å; P315-L317 PolarHBondContact O-N 2.83Å
316	P	89.3	Confident	83	Confident	51 Å²	51	53.7 Å²	53.7	33%	0.331	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-59.8	131.5	-179.5	-24.1	33.5	0	0	0	112.7	T303 V305	T303-P316 HydrophobicContact CG2-CB 3.87Å; V305-P316 HydrophobicContact CG2-CB 4.01Å; V305-P316 HydrophobicContact CG2-CG 4.1Å
317	L	91.4	Very high	82.5	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.021	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	106.6	176.7	-70.5	161.4	0	0	0	109	V229 V231 L244 L255 W257 T303 L304 P315	V229-L317 HydrophobicContact CG1-CB 4.13Å; V229-L317 HydrophobicContact CG1-CD2 3.87Å; V231-L317 HydrophobicContact CG2-CD2 3.36Å; V231-L317 HydrophobicContact CG2-CG 4.28Å; L244-L317 HydrophobicContact CD1-CD1 4.2Å; L244-L317 HydrophobicContact CD1-CD2 4.06Å; L255-L317 HydrophobicContact CD2-CD1 4Å; W257-L317 HydrophobicContact CB-CD2 4.28Å; W257-L317 HydrophobicContact CG-CD2 4.04Å; T303-L317 WeakPolarHBondContact CA-O 3.07Å; L304-L317 HydrophobicContact CB-CB 4.15Å; L304-L317 HydrophobicContact CD2-CD1 3.93Å; L304-L317 PolarHBondContact N-O 3.38Å; L304-L317 PolarHBondContact O-N 3.46Å; P315-L317 PolarHBondContact O-N 2.83Å
318	H	89.9	Confident	82.5	Confident	60 Å²	60	54.7 Å²	54.7	28%	0.278	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	114.9	178.8	-48.5	-84.6	0	0	0	110.8	V229 L230 T303	V229-H318 WeakPolarHBondContact CA-O 3.49Å; L230-H318 HydrophobicContact CB-CB 4.1Å; L230-H318 PolarHBondContact N-O 2.9Å; L230-H318 PolarHBondContact O-N 3.37Å; T303-H318 WeakPolarHBondContact CG2-ND1 3.48Å; T303-H318 PolarHBondContact OG1-ND1 3.15Å
319	F	87.8	Confident	82.7	Confident	6 Å²	6	54.7 Å²	54.7	3%	0.026	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-78.2	149	176.3	-72.7	-99.7	0	0	0	110.9	Y224 V229 L244 G301 G302 L304 H324 L325 F328	Y224-F319 AromaticContact CE1-CE1 3.95Å; Y224-F319 HydrophobicContact CE1-CE1 3.95Å; Y224-F319 WeakPolarHBondContact OH-CE1 3.2Å; V229-F319 HydrophobicContact CG2-CD1 4.14Å; V229-F319 HydrophobicContact CG2-CE1 4.28Å; L244-F319 HydrophobicContact CD2-CE1 3.79Å; L244-F319 HydrophobicContact CD2-CE2 4.31Å; L244-F319 HydrophobicContact CD2-CZ 3.42Å; L244-F319 VanDerWaalsContact CD2-CZ 3.42Å; G301-F319 CarbonylContact C-O 3.59Å; G301-F319 WeakPolarHBondContact CA-O 3.42Å; G302-F319 WeakPolarHBondContact O-CB 3.32Å; G302-F319 WeakPolarHBondContact O-CD2 3.27Å; G302-F319 PolarHBondContact O-N 3Å; L304-F319 HydrophobicContact CB-CD2 4.46Å; L304-F319 HydrophobicContact CB-CE2 3.84Å; L304-F319 HydrophobicContact CD2-CE2 4.07Å; L304-F319 HydrophobicContact CD2-CZ 4.42Å; F319-H324 HydrophobicContact CB-CB 4.33Å; F319-H324 HydrophobicContact CD1-CB 3.85Å; F319-L325 HydrophobicContact CD2-CB 4.28Å; F319-L325 HydrophobicContact CD2-CD1 4.01Å; F319-L325 HydrophobicContact CE2-CD1 3.83Å; F319-L325 HydrophobicContact CG-CB 4.33Å; F319-L325 HydrophobicContact CZ-CD1 4.48Å; F319-F328 HydrophobicContact CE1-CB 3.9Å; F319-F328 HydrophobicContact CE1-CG 4.26Å; F319-F328 HydrophobicContact CZ-CB 3.86Å; F319-F328 HydrophobicContact CZ-CD1 4.05Å; F319-F328 HydrophobicContact CZ-CD2 4.3Å; F319-F328 AromaticContact CZ-CG 3.78Å; F319-F328 HydrophobicContact CZ-CG 3.78Å
320	P	83.6	Confident	82.9	Confident	30 Å²	30	50.8 Å²	50.8	20%	0.195	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-66.4	158.1	169.9	25.2	-30	0	0	0	111.3	H324	P320-H324 PolarHBondContact O-CD2 2.87Å
321	P	76.2	Confident	83.3	Confident	100 Å²	100	47.5 Å²	47.5	65%	0.649	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	143.8	175.1	26.2	-33.8	0	0	0	110.5
322	G	69.8	Low	84.1	Confident	64 Å²	64	45.2 Å²	45.2	66%	0.66	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	129.8	22.7	178.5	0	0	0	0	0	117	H324	G322-H324 VanDerWaalsContact C-N 3.25Å; G322-H324 PolarHBondContact O-N 2.91Å
323	G	75.6	Confident	84.4	Confident	41 Å²	41	41.3 Å²	41.3	42%	0.423	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	13.6	176.4	0	0	0	0	0	114.6	L325 L326 A327	G323-L325 VanDerWaalsContact C-N 3.32Å; G323-L325 PolarHBondContact O-N 2.9Å; G323-L326 PolarHBondContact O-N 3.26Å; G323-A327 PolarHBondContact O-N 2.8Å; G323-A327 VanDerWaalsContact O-N 3.16Å
324	H	82.6	Confident	84.4	Confident	50 Å²	50	39.2 Å²	39.2	23%	0.231	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-32.4	-176.6	-66.9	-56.2	0	0	0	113.8	Y224 K226 F319 P320 G322 A327 F328	Y224-H324 PolarHBondContact OH-O 3.35Å; K226-H324 WeakPolarHBondContact CE-NE2 3.49Å; K226-H324 PolarHBondContact NZ-CE1 3.44Å; K226-H324 PolarHBondContact NZ-NE2 2.86Å; F319-H324 HydrophobicContact CB-CB 4.33Å; F319-H324 HydrophobicContact CD1-CB 3.85Å; P320-H324 PolarHBondContact O-CD2 2.87Å; G322-H324 VanDerWaalsContact C-N 3.25Å; G322-H324 PolarHBondContact O-N 2.91Å; H324-A327 PolarHBondContact O-N 3.14Å; H324-F328 WeakPolarHBondContact O-CB 3.49Å; H324-F328 PolarHBondContact O-N 3.4Å
325	L	83.6	Confident	84.4	Confident	15 Å²	15	36 Å²	36	8%	0.079	24%	0.241	C	C	.	.	H	α-helix	trans	-62.5	-44.7	173.7	176.6	61.8	0	0	0	111.6	C294 L304 F319 G323 A327 F328 L329	C294-L325 HydrophobicContact CB-CD2 4.18Å; L304-L325 HydrophobicContact CB-CD1 4.11Å; L304-L325 HydrophobicContact CD1-CD1 3.99Å; F319-L325 HydrophobicContact CD2-CB 4.28Å; F319-L325 HydrophobicContact CD2-CD1 4.01Å; F319-L325 HydrophobicContact CE2-CD1 3.83Å; F319-L325 HydrophobicContact CG-CB 4.33Å; F319-L325 HydrophobicContact CZ-CD1 4.48Å; G323-L325 VanDerWaalsContact C-N 3.32Å; G323-L325 PolarHBondContact O-N 2.9Å; L325-A327 PolarHBondContact O-N 3.1Å; L325-F328 WeakPolarHBondContact O-CB 3.47Å; L325-F328 PolarHBondContact O-N 2.99Å; L325-L329 HydrophobicContact CD1-CD1 4.37Å; L325-L329 HydrophobicContact CD1-CG 4.33Å; L325-L329 HydrophobicContact CG-CD1 4.25Å; L325-L329 WeakPolarHBondContact O-CG 3.27Å; L325-L329 PolarHBondContact O-N 3.41Å
326	L	81.9	Confident	84.4	Confident	65 Å²	65	34.4 Å²	34.4	34%	0.34	23%	0.231	S	C	.	.	H	α-helix	trans	-64.8	-42.3	177.7	-178.4	62.8	0	0	0	111.6	G323 F328 L329 S330 L359	G323-L326 PolarHBondContact O-N 3.26Å; L326-F328 VanDerWaalsContact C-N 3.27Å; L326-F328 PolarHBondContact O-N 2.75Å; L326-L329 PolarHBondContact O-N 3.15Å; L326-S330 VanDerWaalsContact O-CB 3.29Å; L326-S330 WeakPolarHBondContact O-CB 3.28Å; L326-S330 PolarHBondContact O-N 3.39Å; L326-L359 HydrophobicContact CB-CD1 4.04Å; L326-L359 HydrophobicContact CB-CD2 4.38Å; L326-L359 HydrophobicContact CD1-CD1 3.9Å; L326-L359 HydrophobicContact CD2-CB 4Å; L326-L359 HydrophobicContact CD2-CD1 3.86Å; L326-L359 HydrophobicContact CD2-CG 4.42Å; L326-L359 HydrophobicContact CG-CD1 4.12Å
327	A	79.4	Confident	84	Confident	44 Å²	44	36.8 Å²	36.8	36%	0.364	24%	0.24	S	C	.	.	H	α-helix	trans	-61.7	-38	175.9	0	0	0	0	0	111.7	Y224 G323 H324 L325 C331	Y224-A327 HydrophobicContact CE2-CB 3.94Å; G323-A327 PolarHBondContact O-N 2.8Å; G323-A327 VanDerWaalsContact O-N 3.16Å; H324-A327 PolarHBondContact O-N 3.14Å; L325-A327 PolarHBondContact O-N 3.1Å; A327-C331 PolarHBondContact O-N 3.25Å; A327-C331 VanDerWaalsContact O-N 3.11Å; A327-C331 PolarHBondContact O-SG 3.07Å
328	F	89.3	Confident	83.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.3	-52.7	174.1	170.4	-100.4	0	0	0	111.7	Y224 L244 L246 L255 L304 F319 H324 L325 L326 S330 C331 L332	Y224-F328 HydrophobicContact CD1-CB 4.31Å; Y224-F328 AromaticContact CD1-CD2 3.67Å; Y224-F328 HydrophobicContact CD1-CD2 3.67Å; Y224-F328 HydrophobicContact CD1-CG 4.48Å; Y224-F328 HydrophobicContact CD2-CB 4.28Å; Y224-F328 HydrophobicContact CE1-CB 3.96Å; Y224-F328 AromaticContact CE1-CD2 3.95Å; Y224-F328 HydrophobicContact CE1-CD2 3.95Å; Y224-F328 HydrophobicContact CE1-CG 4.41Å; Y224-F328 HydrophobicContact CE2-CB 3.91Å; Y224-F328 HydrophobicContact CG-CB 4.45Å; Y224-F328 HydrophobicContact CG-CD2 4.06Å; L244-F328 HydrophobicContact CD2-CD2 4.37Å; L244-F328 HydrophobicContact CD2-CE2 4.39Å; L246-F328 HydrophobicContact CB-CE2 4.31Å; L246-F328 HydrophobicContact CD2-CE2 4.34Å; L255-F328 HydrophobicContact CD1-CE2 3.49Å; L255-F328 VanDerWaalsContact CD1-CE2 3.49Å; L255-F328 HydrophobicContact CD1-CZ 3.81Å; L255-F328 HydrophobicContact CD2-CZ 4.43Å; L304-F328 HydrophobicContact CD1-CD1 4.49Å; L304-F328 HydrophobicContact CD1-CE1 4.17Å; L304-F328 HydrophobicContact CD2-CD1 3.98Å; L304-F328 HydrophobicContact CD2-CE1 3.4Å; L304-F328 HydrophobicContact CD2-CZ 3.97Å; L304-F328 HydrophobicContact CG-CE1 4.46Å; F319-F328 HydrophobicContact CE1-CB 3.9Å; F319-F328 HydrophobicContact CE1-CG 4.26Å; F319-F328 HydrophobicContact CZ-CB 3.86Å; F319-F328 HydrophobicContact CZ-CD1 4.05Å; F319-F328 HydrophobicContact CZ-CD2 4.3Å; F319-F328 AromaticContact CZ-CG 3.78Å; F319-F328 HydrophobicContact CZ-CG 3.78Å; H324-F328 WeakPolarHBondContact O-CB 3.49Å; H324-F328 PolarHBondContact O-N 3.4Å; L325-F328 WeakPolarHBondContact O-CB 3.47Å; L325-F328 PolarHBondContact O-N 2.99Å; L326-F328 VanDerWaalsContact C-N 3.27Å; L326-F328 PolarHBondContact O-N 2.75Å; F328-S330 PolarHBondContact O-N 2.85Å; F328-C331 PolarHBondContact O-N 2.84Å; F328-C331 VanDerWaalsContact O-N 3.13Å; F328-L332 HydrophobicContact CE1-CD2 4.23Å; F328-L332 HydrophobicContact CZ-CD2 4.44Å; F328-L332 WeakPolarHBondContact O-CB 3.45Å; F328-L332 PolarHBondContact O-N 3.33Å
329	L	88.4	Confident	82.3	Confident	5 Å²	5	44.5 Å²	44.5	3%	0.026	28%	0.279	C	S	.	.	H	α-helix	trans	-58.4	-38.8	179.2	-68.6	172.8	0	0	0	111.5	I292 L304 L325 L326 L332 E333 L346 F385	I292-L329 HydrophobicContact CG2-CD2 4.43Å; L304-L329 HydrophobicContact CD1-CD2 4.39Å; L325-L329 HydrophobicContact CD1-CD1 4.37Å; L325-L329 HydrophobicContact CD1-CG 4.33Å; L325-L329 HydrophobicContact CG-CD1 4.25Å; L325-L329 WeakPolarHBondContact O-CG 3.27Å; L325-L329 PolarHBondContact O-N 3.41Å; L326-L329 PolarHBondContact O-N 3.15Å; L329-L332 WeakPolarHBondContact O-CB 3.45Å; L329-L332 PolarHBondContact O-N 3.29Å; L329-E333 PolarHBondContact O-N 3.02Å; L329-L346 HydrophobicContact CB-CD1 3.67Å; L329-L346 HydrophobicContact CB-CD2 4.24Å; L329-L346 HydrophobicContact CD1-CD2 4.47Å; L329-L346 WeakPolarHBondContact O-CD1 3.29Å; L329-F385 HydrophobicContact CD1-CE2 3.86Å; L329-F385 HydrophobicContact CD1-CZ 4.29Å; L329-F385 HydrophobicContact CD2-CD2 4.44Å; L329-F385 HydrophobicContact CD2-CE2 4.46Å
330	S	83.6	Confident	82	Confident	36 Å²	36	44.3 Å²	44.3	25%	0.252	28%	0.279	S	S	.	.	H	α-helix	trans	-63.5	-41.9	176.7	166.6	0	0	0	0	113.1	L326 F328 L332 T334 W347	L326-S330 VanDerWaalsContact O-CB 3.29Å; L326-S330 WeakPolarHBondContact O-CB 3.28Å; L326-S330 PolarHBondContact O-N 3.39Å; F328-S330 PolarHBondContact O-N 2.85Å; S330-L332 VanDerWaalsContact C-N 3.33Å; S330-T334 PolarHBondContact O-N 3.14Å; S330-T334 PolarHBondContact O-OG1 3.29Å; S330-W347 VanDerWaalsContact CA-CH2 3.46Å; S330-W347 VanDerWaalsContact CB-CH2 3.45Å; S330-W347 WeakPolarHBondContact OG-CH2 3.45Å; S330-W347 WeakPolarHBondContact OG-CZ2 3.34Å
331	C	87.4	Confident	82.1	Confident	35 Å²	35	47.2 Å²	47.2	24%	0.236	29%	0.29	C	S	.	.	H	α-helix	trans	-69.6	-34.5	175.2	-63.1	0	0	0	0	111.4	Y224 L246 A327 F328 G335	Y224-C331 HydrophobicContact CD2-CB 4.43Å; L246-C331 HydrophobicContact CD2-CB 4.48Å; A327-C331 PolarHBondContact O-N 3.25Å; A327-C331 VanDerWaalsContact O-N 3.11Å; A327-C331 PolarHBondContact O-SG 3.07Å; F328-C331 PolarHBondContact O-N 2.84Å; F328-C331 VanDerWaalsContact O-N 3.13Å; C331-G335 PolarHBondContact O-N 3.43Å
332	L	89.7	Confident	82.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.2	-49.8	176.6	177.8	62.5	0	0	0	112	L246 L253 L286 I292 F328 L329 S330 T334 G335 L336 L342	L246-L332 HydrophobicContact CD1-CD1 4.41Å; L246-L332 HydrophobicContact CD2-CB 4.19Å; L246-L332 HydrophobicContact CD2-CD1 4.28Å; L253-L332 HydrophobicContact CD1-CD1 3.94Å; L286-L332 HydrophobicContact CD1-CD1 3.85Å; L286-L332 HydrophobicContact CG-CD1 3.88Å; I292-L332 HydrophobicContact CD1-CD2 3.34Å; F328-L332 HydrophobicContact CE1-CD2 4.23Å; F328-L332 HydrophobicContact CZ-CD2 4.44Å; F328-L332 WeakPolarHBondContact O-CB 3.45Å; F328-L332 PolarHBondContact O-N 3.33Å; L329-L332 WeakPolarHBondContact O-CB 3.45Å; L329-L332 PolarHBondContact O-N 3.29Å; S330-L332 VanDerWaalsContact C-N 3.33Å; L332-T334 VanDerWaalsContact C-N 3.33Å; L332-T334 PolarHBondContact O-N 3.06Å; L332-G335 PolarHBondContact O-N 3.12Å; L332-L336 HydrophobicContact CD1-CD1 4.29Å; L332-L336 HydrophobicContact CD1-CG 4.34Å; L332-L336 HydrophobicContact CG-CD1 4.13Å; L332-L336 VanDerWaalsContact O-CG 3.31Å; L332-L336 WeakPolarHBondContact O-CG 3.12Å; L332-L336 PolarHBondContact O-N 3.2Å; L332-L342 HydrophobicContact CD2-CD2 4.36Å
333	E	86.6	Confident	83.1	Confident	12 Å²	12	44.3 Å²	44.3	6%	0.056	25%	0.251	C	S	.	.	H	α-helix	trans	-62.9	-40.7	178.6	-173	170.7	-155	0	0	111.8	L329 G335 L336 L337 L342 P345 L346 W347	L329-E333 PolarHBondContact O-N 3.02Å; E333-G335 VanDerWaalsContact C-N 3.33Å; E333-G335 PolarHBondContact O-N 2.92Å; E333-L336 PolarHBondContact O-N 3.41Å; E333-L337 PolarHBondContact O-N 2.92Å; E333-L342 HydrophobicContact CB-CD1 4.03Å; E333-L342 HydrophobicContact CB-CG 4.29Å; E333-L342 HydrophobicContact CG-CG 4.49Å; E333-P345 WeakPolarHBondContact OE1-CA 3.37Å; E333-P345 WeakPolarHBondContact OE1-CB 3.39Å; E333-L346 HydrophobicContact CB-CD1 3.98Å; E333-L346 PolarHBondContact OE1-N 3.11Å; E333-L346 WeakPolarHBondContact OE2-CA 3.35Å; E333-L346 WeakPolarHBondContact OE2-CB 3.2Å; E333-L346 WeakPolarHBondContact OE2-CD1 3.44Å; E333-L346 WeakPolarHBondContact OE2-CG 3.45Å; E333-L346 PolarHBondContact OE2-N 2.97Å; E333-W347 HydrophobicContact CB-CZ3 4.07Å; E333-W347 HydrophobicContact CG-CZ3 4.17Å; E333-W347 WeakPolarHBondContact OE2-CZ3 3.46Å
334	T	84.1	Confident	83.2	Confident	89 Å²	89	45.3 Å²	45.3	55%	0.546	25%	0.25	S	S	.	.	H	α-helix	trans	-62.5	-41.3	174.7	-52	0	0	0	0	111.6	S330 L332 L336 L337	S330-T334 PolarHBondContact O-N 3.14Å; S330-T334 PolarHBondContact O-OG1 3.29Å; L332-T334 VanDerWaalsContact C-N 3.33Å; L332-T334 PolarHBondContact O-N 3.06Å; T334-L336 VanDerWaalsContact C-N 3.29Å; T334-L336 PolarHBondContact O-N 3.27Å; T334-L337 PolarHBondContact O-N 3.34Å
335	G	85.1	Confident	82.9	Confident	9 Å²	9	45.3 Å²	45.3	9%	0.093	25%	0.254	C	S	.	.	H	α-helix	trans	-71.2	-21.3	178.5	0	0	0	0	0	114.3	L253 C331 L332 E333	L253-G335 VanDerWaalsContact CD1-C 3.49Å; L253-G335 WeakPolarHBondContact CD1-O 3.43Å; C331-G335 PolarHBondContact O-N 3.43Å; L332-G335 PolarHBondContact O-N 3.12Å; E333-G335 VanDerWaalsContact C-N 3.33Å; E333-G335 PolarHBondContact O-N 2.92Å
336	L	86.5	Confident	82.2	Confident	7 Å²	7	45.4 Å²	45.4	4%	0.037	26%	0.255	C	S	.	.	H	α-helix	trans	-77.6	-29.6	176.9	-75.7	167.2	0	0	0	111.7	L253 L332 E333 T334 R339 G340 L342 I387 Y389	L253-L336 HydrophobicContact CD1-CD2 3.83Å; L253-L336 HydrophobicContact CD1-CG 3.83Å; L332-L336 HydrophobicContact CD1-CD1 4.29Å; L332-L336 HydrophobicContact CD1-CG 4.34Å; L332-L336 HydrophobicContact CG-CD1 4.13Å; L332-L336 VanDerWaalsContact O-CG 3.31Å; L332-L336 WeakPolarHBondContact O-CG 3.12Å; L332-L336 PolarHBondContact O-N 3.2Å; E333-L336 PolarHBondContact O-N 3.41Å; T334-L336 VanDerWaalsContact C-N 3.29Å; T334-L336 PolarHBondContact O-N 3.27Å; L336-R339 CarbonylContact O-C 3.59Å; L336-R339 PolarHBondContact O-N 2.98Å; L336-G340 CarbonylContact C-O 3.59Å; L336-G340 WeakPolarHBondContact CB-O 3.29Å; L336-G340 WeakPolarHBondContact O-CA 3.47Å; L336-G340 PolarHBondContact O-N 3.19Å; L336-L342 HydrophobicContact CD1-CD2 3.79Å; L336-L342 HydrophobicContact CD1-CG 4.07Å; L336-I387 HydrophobicContact CD1-CG2 3.99Å; L336-I387 HydrophobicContact CD2-CG2 3.74Å; L336-Y389 HydrophobicContact CD2-CE1 4.01Å; L336-Y389 WeakPolarHBondContact CD2-OH 3.5Å
337	L	80.8	Confident	81.4	Confident	100 Å²	100	48.9 Å²	48.9	52%	0.524	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	148.9	178.8	-70.7	169	0	0	0	112.6	E333 T334 G340	E333-L337 PolarHBondContact O-N 2.92Å; T334-L337 PolarHBondContact O-N 3.34Å; L337-G340 PolarHBondContact N-O 3.43Å
338	P	73.5	Confident	80.2	Confident	103 Å²	103	50 Å²	50	67%	0.669	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	cis	-85.3	-3.9	-2.6	35.1	-36	0	0	0	113.7
339	R	73.5	Confident	78.3	Confident	123 Å²	123	59.5 Å²	59.5	46%	0.464	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-8.3	-167.5	-67	175.9	-172.4	63.1	-10.7	114.1	D251 L336 Y389 P390	D251-R339 VanDerWaalsContact CG-NE 3.29Å; D251-R339 IonicContact OD1-CZ 3.45Å; D251-R339 IonicContact OD1-NE 2.81Å; D251-R339 IonicContact OD1-NH1 3.8Å; D251-R339 PolarHBondContact OD1-NH1 3.29Å; D251-R339 IonicContact OD1-NH2 3.82Å; D251-R339 PolarHBondContact OD1-NH2 3.34Å; D251-R339 IonicContact OD2-CZ 3.83Å; D251-R339 IonicContact OD2-NE 3.15Å; D251-R339 PolarHBondContact OD2-NE 3.41Å; D251-R339 VanDerWaalsContact OD2-NE 3.1Å; D251-R339 IonicContact OD2-NH2 3.03Å; D251-R339 PolarHBondContact OD2-NH2 3.43Å; L336-R339 CarbonylContact O-C 3.59Å; L336-R339 PolarHBondContact O-N 2.98Å; R339-Y389 WeakPolarHBondContact O-CA 3.36Å; R339-Y389 WeakPolarHBondContact O-CD1 3.49Å; R339-P390 WeakPolarHBondContact O-CD 3.3Å
340	G	81.5	Confident	75.9	Confident	2 Å²	2	68 Å²	68	2%	0.021	35%	0.35	C	S	.	.			trans	-155.6	162.6	178.4	0	0	0	0	0	111.4	L336 L337 V388	L336-G340 CarbonylContact C-O 3.59Å; L336-G340 WeakPolarHBondContact CB-O 3.29Å; L336-G340 WeakPolarHBondContact O-CA 3.47Å; L336-G340 PolarHBondContact O-N 3.19Å; L337-G340 PolarHBondContact N-O 3.43Å; G340-V388 CarbonylContact C-O 3.57Å; G340-V388 WeakPolarHBondContact CA-O 3.47Å
341	Q	85.4	Confident	74.1	Confident	91 Å²	91	70.2 Å²	70.2	43%	0.425	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	158.3	177.7	66.2	-177.6	16.4	0	0	110.4	V388	Q341-V388 HydrophobicContact CG-CB 4.41Å; Q341-V388 PolarHBondContact N-O 3.31Å; Q341-V388 PolarHBondContact O-N 2.61Å
342	L	85.1	Confident	71.8	Confident	0 Å²	0	78 Å²	78	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	141.5	164.8	-63.7	179.5	0	0	0	108.9	I292 L332 E333 L336 P344 P345 L346 F385 R386 I387	I292-L342 HydrophobicContact CD1-CD2 4.39Å; L332-L342 HydrophobicContact CD2-CD2 4.36Å; E333-L342 HydrophobicContact CB-CD1 4.03Å; E333-L342 HydrophobicContact CB-CG 4.29Å; E333-L342 HydrophobicContact CG-CG 4.49Å; L336-L342 HydrophobicContact CD1-CD2 3.79Å; L336-L342 HydrophobicContact CD1-CG 4.07Å; L342-P344 CarbonylContact C-O 3.44Å; L342-P344 CarbonylContact O-C 3.5Å; L342-P345 WeakPolarHBondContact O-CA 3.47Å; L342-L346 HydrophobicContact CD1-CD1 3.99Å; L342-L346 HydrophobicContact CD1-CD2 4.38Å; L342-L346 HydrophobicContact CD1-CG 4.04Å; L342-F385 HydrophobicContact CB-CB 4.43Å; L342-F385 HydrophobicContact CB-CD1 4.35Å; L342-F385 HydrophobicContact CD1-CD1 4.47Å; L342-F385 HydrophobicContact CD2-CB 4.17Å; L342-R386 CarbonylContact C-O 3.54Å; L342-R386 WeakPolarHBondContact CA-O 3.45Å; L342-I387 HydrophobicContact CD2-CG1 4.01Å
343	E	81.1	Confident	69.5	Low	103 Å²	103	81 Å²	81	48%	0.481	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117	173.4	-175.4	179.2	-157.5	0	0	109.1	F385 R386 V388	E343-F385 WeakPolarHBondContact O-CA 3.3Å; E343-R386 HydrophobicContact CB-CB 4.32Å; E343-R386 PolarHBondContact N-O 3.29Å; E343-R386 PolarHBondContact O-N 2.96Å; E343-V388 HydrophobicContact CB-CG2 3.75Å; E343-V388 VanDerWaalsContact OE2-CG2 3.32Å; E343-V388 WeakPolarHBondContact OE2-CG2 3.39Å
344	P	79.1	Confident	67.2	Low	63 Å²	63	88.8 Å²	88.8	41%	0.409	47%	0.473	S	S	.	.	S	Bend	cis	-67.3	151.8	-6.8	29.9	-34.8	0	0	0	112.6	L342 F385	L342-P344 CarbonylContact C-O 3.44Å; L342-P344 CarbonylContact O-C 3.5Å; P344-F385 WeakPolarHBondContact O-CD1 3.43Å
345	P	74.6	Confident	65.4	Low	49 Å²	49	88.5 Å²	88.5	32%	0.318	47%	0.471	S	S	.	.			trans	-66.4	148.2	177.9	27.2	-34.6	0	0	0	111.1	E333 L342 W347	E333-P345 WeakPolarHBondContact OE1-CA 3.37Å; E333-P345 WeakPolarHBondContact OE1-CB 3.39Å; L342-P345 WeakPolarHBondContact O-CA 3.47Å; P345-W347 PolarHBondContact O-N 3.16Å
346	L	70.1	Confident	63.6	Low	17 Å²	17	89.9 Å²	89.9	9%	0.089	47%	0.474	C	S	.	.	S	Bend	trans	-69.9	-25	-178.3	-52.3	163.3	0	0	0	111.4	L329 E333 L342 F385	L329-L346 HydrophobicContact CB-CD1 3.67Å; L329-L346 HydrophobicContact CB-CD2 4.24Å; L329-L346 HydrophobicContact CD1-CD2 4.47Å; L329-L346 WeakPolarHBondContact O-CD1 3.29Å; E333-L346 HydrophobicContact CB-CD1 3.98Å; E333-L346 PolarHBondContact OE1-N 3.11Å; E333-L346 WeakPolarHBondContact OE2-CA 3.35Å; E333-L346 WeakPolarHBondContact OE2-CB 3.2Å; E333-L346 WeakPolarHBondContact OE2-CD1 3.44Å; E333-L346 WeakPolarHBondContact OE2-CG 3.45Å; E333-L346 PolarHBondContact OE2-N 2.97Å; L342-L346 HydrophobicContact CD1-CD1 3.99Å; L342-L346 HydrophobicContact CD1-CD2 4.38Å; L342-L346 HydrophobicContact CD1-CG 4.04Å; L346-F385 HydrophobicContact CD2-CD1 4.26Å; L346-F385 HydrophobicContact CD2-CE1 3.45Å; L346-F385 VanDerWaalsContact CD2-CE1 3.45Å; L346-F385 HydrophobicContact CD2-CZ 3.59Å
347	W	64.8	Low	61.2	Low	138 Å²	138	94.5 Å²	94.5	52%	0.523	51%	0.505	S	S	.	.	S	Bend	trans	-128	127.2	175.1	-50.5	-89.6	0	0	0	111.6	S330 E333 P345	S330-W347 VanDerWaalsContact CA-CH2 3.46Å; S330-W347 VanDerWaalsContact CB-CH2 3.45Å; S330-W347 WeakPolarHBondContact OG-CH2 3.45Å; S330-W347 WeakPolarHBondContact OG-CZ2 3.34Å; E333-W347 HydrophobicContact CB-CZ3 4.07Å; E333-W347 HydrophobicContact CG-CZ3 4.17Å; E333-W347 WeakPolarHBondContact OE2-CZ3 3.46Å; P345-W347 PolarHBondContact O-N 3.16Å
348	S	54.7	Low	59.2	Low	67 Å²	67	98.2 Å²	98.2	47%	0.469	52%	0.517	S	S	.	.			trans	-73.7	128.9	173.4	176	0	0	0	0	110.9	K350	S348-K350 PolarHBondContact O-N 3.41Å
349	Q	49.7	Very low	57.7	Low	201 Å²	201	95.6 Å²	95.6	94%	0.939	50%	0.497	S	S	*	.	S	Bend	trans	-67.9	8	-178.3	-107.3	-172.4	1.8	0	0	115.5
350	K	37.8	Very low	56	Low	183 Å²	183	99.6 Å²	99.6	80%	0.796	51%	0.512	S	S	*	.	S	Bend	trans	-128.1	82.7	175.4	-77.4	-174.6	177.2	178.1	0	111.8	S348 K352	S348-K350 PolarHBondContact O-N 3.41Å; K350-K352 PolarHBondContact O-N 3.14Å
351	G	45.9	Very low	53.9	Low	82 Å²	82	109.4 Å²	109.4	85%	0.845	55%	0.554	S	S	*	*	S	Bend	trans	50.1	-4.2	143.8	0	0	0	0	0	122.4
352	K	39.1	Very low	51.4	Low	199 Å²	199	115.3 Å²	115.3	87%	0.865	57%	0.573	S	S	*	*	S	Bend	trans	-152.5	118	-179.1	-69.5	-170	179.3	178.5	0	110.9	K350	K350-K352 PolarHBondContact O-N 3.14Å
353	G	41.3	Very low	48.7	Very low	64 Å²	64	120.2 Å²	120.2	66%	0.66	61%	0.607	S	S	*	*			trans	100.9	124.1	160.7	0	0	0	0	0	115.5
354	K	38.1	Very low	46.5	Very low	175 Å²	175	121.3 Å²	121.3	76%	0.761	63%	0.626	S	S	*	*			trans	-68.8	130.4	167.4	-62.4	179.1	178.4	-177.6	0	108.2	F356	K354-F356 WeakPolarHBondContact CB-O 3.38Å; K354-F356 PolarHBondContact O-N 3.31Å
355	V	45.5	Very low	44.2	Very low	83 Å²	83	122.8 Å²	122.8	50%	0.503	64%	0.643	S	S	.	*	S	Bend	trans	-72	-1.5	165.9	-179.3	0	0	0	0	111.1
356	F	46.6	Very low	42	Very low	37 Å²	37	125.4 Å²	125.4	16%	0.162	67%	0.669	C	S	.	*	S	Bend	trans	-116.5	129	175.9	-105.9	-104	0	0	0	113.8	K354 K358 L359 Y383 F385	K354-F356 WeakPolarHBondContact CB-O 3.38Å; K354-F356 PolarHBondContact O-N 3.31Å; F356-K358 PolarHBondContact O-N 3.35Å; F356-K358 VanDerWaalsContact O-N 3.14Å; F356-L359 HydrophobicContact CD1-CD1 3.7Å; F356-L359 HydrophobicContact CE1-CD1 3.81Å; F356-Y383 AromaticContact CD1-CE1 3.99Å; F356-Y383 HydrophobicContact CD1-CE1 3.99Å; F356-Y383 HydrophobicContact CD1-CE2 4.15Å; F356-Y383 AromaticContact CD1-CZ 3.65Å; F356-Y383 HydrophobicContact CD2-CE1 4.29Å; F356-Y383 AromaticContact CE1-CD1 3.86Å; F356-Y383 HydrophobicContact CE1-CD1 3.86Å; F356-Y383 AromaticContact CE1-CD2 3.64Å; F356-Y383 HydrophobicContact CE1-CD2 3.64Å; F356-Y383 AromaticContact CE1-CE1 3.43Å; F356-Y383 HydrophobicContact CE1-CE1 3.43Å; F356-Y383 VanDerWaalsContact CE1-CE1 3.43Å; F356-Y383 AromaticContact CE1-CE2 3.16Å; F356-Y383 HydrophobicContact CE1-CE2 3.16Å; F356-Y383 AromaticContact CE1-CG 3.95Å; F356-Y383 HydrophobicContact CE1-CG 3.95Å; F356-Y383 AromaticContact CE1-CZ 3.04Å; F356-Y383 WeakPolarHBondContact CE1-OH 3.42Å; F356-Y383 AromaticContact CE2-CD1 3.64Å; F356-Y383 HydrophobicContact CE2-CD1 3.64Å; F356-Y383 AromaticContact CE2-CE1 3.71Å; F356-Y383 HydrophobicContact CE2-CE1 3.71Å; F356-Y383 HydrophobicContact CE2-CG 4.1Å; F356-Y383 HydrophobicContact CG-CE1 4.42Å; F356-Y383 AromaticContact CZ-CD1 3.22Å; F356-Y383 HydrophobicContact CZ-CD1 3.22Å; F356-Y383 AromaticContact CZ-CD2 3.46Å; F356-Y383 HydrophobicContact CZ-CD2 3.46Å; F356-Y383 VanDerWaalsContact CZ-CD2 3.46Å; F356-Y383 AromaticContact CZ-CE1 3.27Å; F356-Y383 HydrophobicContact CZ-CE1 3.27Å; F356-Y383 AromaticContact CZ-CE2 3.49Å; F356-Y383 HydrophobicContact CZ-CE2 3.49Å; F356-Y383 VanDerWaalsContact CZ-CE2 3.49Å; F356-Y383 AromaticContact CZ-CG 3.31Å; F356-Y383 HydrophobicContact CZ-CG 3.31Å; F356-Y383 AromaticContact CZ-CZ 3.4Å; F356-F385 HydrophobicContact CE2-CE1 4.41Å; F356-F385 AromaticContact CE2-CZ 3.83Å; F356-F385 HydrophobicContact CE2-CZ 3.83Å; F356-F385 HydrophobicContact CZ-CZ 4.07Å
357	P	37.1	Very low	40.3	Very low	105 Å²	105	135.8 Å²	135.8	68%	0.682	71%	0.707	S	S	*	*			trans	-65.1	107.7	159.6	-14.4	29	0	0	0	110.3	L359	P357-L359 PolarHBondContact O-N 2.89Å
358	K	38.9	Very low	38.7	Very low	178 Å²	178	136.2 Å²	136.2	77%	0.774	72%	0.719	S	S	*	*			trans	22.5	82	161	-62.9	177.5	-178.5	170.4	0	117.8	F356 R360	F356-K358 PolarHBondContact O-N 3.35Å; F356-K358 VanDerWaalsContact O-N 3.14Å; K358-R360 PolarHBondContact O-N 3.34Å
359	L	41.5	Very low	37.6	Very low	47 Å²	47	141.1 Å²	141.1	25%	0.246	74%	0.736	C	S	.	*			trans	-62	96.5	149.6	-90.6	138.7	0	0	0	109.1	L326 F356 P357 K361	L326-L359 HydrophobicContact CB-CD1 4.04Å; L326-L359 HydrophobicContact CB-CD2 4.38Å; L326-L359 HydrophobicContact CD1-CD1 3.9Å; L326-L359 HydrophobicContact CD2-CB 4Å; L326-L359 HydrophobicContact CD2-CD1 3.86Å; L326-L359 HydrophobicContact CD2-CG 4.42Å; L326-L359 HydrophobicContact CG-CD1 4.12Å; F356-L359 HydrophobicContact CD1-CD1 3.7Å; F356-L359 HydrophobicContact CE1-CD1 3.81Å; P357-L359 PolarHBondContact O-N 2.89Å; L359-K361 PolarHBondContact O-N 3.11Å
360	R	38.3	Very low	36.6	Very low	208 Å²	208	140.8 Å²	140.8	79%	0.785	74%	0.735	S	S	*	*			trans	-70.4	111.1	-176.6	-126.4	-179.9	176.5	-177.7	-0	109.8	K358 R362	K358-R360 PolarHBondContact O-N 3.34Å; R360-R362 PolarHBondContact O-N 3.36Å
361	K	36.4	Very low	36.4	Very low	208 Å²	208	140.4 Å²	140.4	90%	0.904	74%	0.736	S	S	*	*			trans	-74.2	97.9	162.8	-168.8	-179.9	-175.3	-179.4	0	107.4	L359 S363	L359-K361 PolarHBondContact O-N 3.11Å; K361-S363 PolarHBondContact O-N 3.42Å
362	R	33.2	Very low	35.5	Very low	215 Å²	215	143 Å²	143	81%	0.811	73%	0.73	S	S	*	*			trans	-91	99.9	175.6	-148.3	175.1	-173.5	175.5	0.6	108.9	R360	R360-R362 PolarHBondContact O-N 3.36Å
363	S	29.8	Very low	35.3	Very low	103 Å²	103	143.8 Å²	143.8	72%	0.72	73%	0.728	S	S	*	*			trans	-67.5	134.6	161.9	49.4	0	0	0	0	109.1	K361 A365	K361-S363 PolarHBondContact O-N 3.42Å; S363-A365 PolarHBondContact O-N 2.87Å; S363-A365 VanDerWaalsContact O-N 3.16Å
364	S	33.4	Very low	34.7	Very low	126 Å²	126	148.1 Å²	148.1	88%	0.881	74%	0.736	S	S	*	*	S	Bend	trans	-73	97.5	176.5	45.7	0	0	0	0	111.5
365	A	31.4	Very low	34.6	Very low	93 Å²	93	143.9 Å²	143.9	77%	0.769	74%	0.742	S	S	*	*			trans	-161.7	142.7	152.6	0	0	0	0	0	109.2	S363	S363-A365 PolarHBondContact O-N 2.87Å; S363-A365 VanDerWaalsContact O-N 3.16Å
366	A	27.7	Very low	34	Very low	104 Å²	104	148.4 Å²	148.4	86%	0.86	76%	0.757	S	S	*	*			trans	86.6	102.6	-179.3	0	0	0	0	0	116.9
367	R	35.1	Very low	33.6	Very low	235 Å²	235	155.6 Å²	155.6	89%	0.887	79%	0.792	S	S	*	*			trans	-87.1	159.8	153	-64.7	-176.7	-174.6	176.3	1.7	109
368	L	30.9	Very low	34	Very low	148 Å²	148	158.1 Å²	158.1	78%	0.775	79%	0.794	S	S	*	*			trans	104.6	124.9	151.4	-64.6	168.8	0	0	0	118.4
369	M	31.2	Very low	34.3	Very low	169 Å²	169	155.7 Å²	155.7	83%	0.833	80%	0.795	S	S	*	*			trans	70.9	125.3	162.6	-52	-68.2	175.9	0	0	114.2
370	E	28.6	Very low	34.9	Very low	194 Å²	194	155.8 Å²	155.8	91%	0.907	80%	0.802	S	S	*	*			cis	-152.4	161.5	32.4	-108.6	174.6	-178.2	0	0	111.5
371	Q	33.9	Very low	36.1	Very low	176 Å²	176	147.5 Å²	147.5	82%	0.822	78%	0.778	S	S	*	*			trans	-96	124.8	-176.8	175.1	-179.6	7.2	0	0	109.2
372	D	28.6	Very low	38.1	Very low	135 Å²	135	142.4 Å²	142.4	72%	0.722	76%	0.76	S	S	*	*				179.6	132.3	127.4	-102.7	-17.6	0	0	0	116
373	R	33	Very low	40.4	Very low	217 Å²	217	134.7 Å²	134.7	82%	0.819	73%	0.732	S	S	*	*			trans	48.6	94.6	142.9	-60.2	176.8	99.4	-169.7	6.3	120.4
374	N	28.5	Very low	43	Very low	155 Å²	155	133.4 Å²	133.4	83%	0.829	72%	0.72	S	S	*	*				-175.9	127.7	105.2	-103.2	1.6	0	0	0	109.5	E376	N374-E376 PolarHBondContact O-N 2.82Å; N374-E376 VanDerWaalsContact O-N 3.14Å
375	G	37.1	Very low	45.5	Very low	86 Å²	86	127.6 Å²	127.6	89%	0.887	68%	0.678	S	S	*	*			trans	-74.1	98.7	176.3	0	0	0	0	0	110.6
376	E	33	Very low	48.1	Very low	177 Å²	177	127.4 Å²	127.4	83%	0.827	66%	0.658	S	S	*	*			trans	-103.9	114.1	152.3	-72.1	-177.8	169.1	0	0	106.2	N374 Q378	N374-E376 PolarHBondContact O-N 2.82Å; N374-E376 VanDerWaalsContact O-N 3.14Å; E376-Q378 PolarHBondContact O-N 2.9Å
377	E	38.4	Very low	51	Low	189 Å²	189	122.5 Å²	122.5	88%	0.883	62%	0.617	S	S	*	*			trans	-49.4	113.5	165.9	-79.5	178.2	140.1	0	0	107.9	T379	E377-T379 PolarHBondContact O-N 3.42Å
378	Q	44.3	Very low	53.2	Low	157 Å²	157	113.1 Å²	113.1	73%	0.734	59%	0.586	S	S	*	*			trans	-68.9	90.7	173.6	-86.5	166.7	15.5	0	0	108	P298 E376 A380	P298-Q378 HydrophobicContact CG-CB 4.05Å; E376-Q378 PolarHBondContact O-N 2.9Å; Q378-A380 PolarHBondContact O-N 3.26Å
379	T	46.3	Very low	55.7	Low	128 Å²	128	108.3 Å²	108.3	79%	0.785	56%	0.558	S	S	*	*			trans	-45	127.6	175	18.1	0	0	0	0	110.6	E377 A381	E377-T379 PolarHBondContact O-N 3.42Å; T379-A381 PolarHBondContact O-N 3.17Å
380	A	54.2	Low	57.2	Low	49 Å²	49	105 Å²	105	41%	0.405	55%	0.549	S	S	.	.			trans	-54.8	134.3	169	0	0	0	0	0	109.2	Q296 R297 Q378	Q296-A380 WeakPolarHBondContact O-CA 3.23Å; R297-A380 HydrophobicContact CG-CB 4.14Å; Q378-A380 PolarHBondContact O-N 3.26Å
381	A	63.9	Low	58.4	Low	33 Å²	33	99.8 Å²	99.8	27%	0.273	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	115.8	-178.5	0	0	0	0	0	109.3	Q296 T379 Y383	Q296-A381 PolarHBondContact N-O 3.33Å; Q296-A381 PolarHBondContact O-N 2.91Å; T379-A381 PolarHBondContact O-N 3.17Å; A381-Y383 HydrophobicContact CB-CD2 4.45Å; A381-Y383 HydrophobicContact CB-CE2 3.5Å
382	D	77.4	Confident	59.1	Low	101 Å²	101	100.4 Å²	100.4	54%	0.54	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	130.5	178.8	-65.1	-18.6	0	0	0	110	C294 H295	C294-D382 CarbonylContact O-C 3.5Å; C294-D382 WeakPolarHBondContact O-CA 3.49Å; H295-D382 WeakPolarHBondContact CA-OD1 2.88Å; H295-D382 WeakPolarHBondContact CB-OD1 3.39Å; H295-D382 IonicContact CD2-OD1 2.72Å; H295-D382 PolarHBondContact CD2-OD1 2.81Å; H295-D382 IonicContact CD2-OD2 3.51Å; H295-D382 IonicContact CG-OD1 3.38Å
383	Y	81.1	Confident	59.3	Low	53 Å²	53	105.3 Å²	105.3	21%	0.208	55%	0.552	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.7	136.1	-177.6	-58.6	-84.7	0	0	0	110.1	C294 F356 A381	C294-Y383 PolarHBondContact N-O 2.85Å; C294-Y383 PolarHBondContact O-N 3.46Å; F356-Y383 AromaticContact CD1-CE1 3.99Å; F356-Y383 HydrophobicContact CD1-CE1 3.99Å; F356-Y383 HydrophobicContact CD1-CE2 4.15Å; F356-Y383 AromaticContact CD1-CZ 3.65Å; F356-Y383 HydrophobicContact CD2-CE1 4.29Å; F356-Y383 AromaticContact CE1-CD1 3.86Å; F356-Y383 HydrophobicContact CE1-CD1 3.86Å; F356-Y383 AromaticContact CE1-CD2 3.64Å; F356-Y383 HydrophobicContact CE1-CD2 3.64Å; F356-Y383 AromaticContact CE1-CE1 3.43Å; F356-Y383 HydrophobicContact CE1-CE1 3.43Å; F356-Y383 VanDerWaalsContact CE1-CE1 3.43Å; F356-Y383 AromaticContact CE1-CE2 3.16Å; F356-Y383 HydrophobicContact CE1-CE2 3.16Å; F356-Y383 AromaticContact CE1-CG 3.95Å; F356-Y383 HydrophobicContact CE1-CG 3.95Å; F356-Y383 AromaticContact CE1-CZ 3.04Å; F356-Y383 WeakPolarHBondContact CE1-OH 3.42Å; F356-Y383 AromaticContact CE2-CD1 3.64Å; F356-Y383 HydrophobicContact CE2-CD1 3.64Å; F356-Y383 AromaticContact CE2-CE1 3.71Å; F356-Y383 HydrophobicContact CE2-CE1 3.71Å; F356-Y383 HydrophobicContact CE2-CG 4.1Å; F356-Y383 HydrophobicContact CG-CE1 4.42Å; F356-Y383 AromaticContact CZ-CD1 3.22Å; F356-Y383 HydrophobicContact CZ-CD1 3.22Å; F356-Y383 AromaticContact CZ-CD2 3.46Å; F356-Y383 HydrophobicContact CZ-CD2 3.46Å; F356-Y383 VanDerWaalsContact CZ-CD2 3.46Å; F356-Y383 AromaticContact CZ-CE1 3.27Å; F356-Y383 HydrophobicContact CZ-CE1 3.27Å; F356-Y383 AromaticContact CZ-CE2 3.49Å; F356-Y383 HydrophobicContact CZ-CE2 3.49Å; F356-Y383 VanDerWaalsContact CZ-CE2 3.49Å; F356-Y383 AromaticContact CZ-CG 3.31Å; F356-Y383 HydrophobicContact CZ-CG 3.31Å; F356-Y383 AromaticContact CZ-CZ 3.4Å; A381-Y383 HydrophobicContact CB-CD2 4.45Å; A381-Y383 HydrophobicContact CB-CE2 3.5Å
384	V	83.8	Confident	59.7	Low	77 Å²	77	98.9 Å²	98.9	47%	0.467	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125.6	176.2	179.7	0	0	0	0	108.6	C291 I292	C291-V384 HydrophobicContact CB-CG1 4.37Å; I292-V384 WeakPolarHBondContact O-CA 3.29Å
385	F	87	Confident	59.8	Low	4 Å²	4	98.5 Å²	98.5	2%	0.018	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130.6	175	-56	-84.7	0	0	0	109.4	C291 I292 C294 L329 L342 E343 P344 L346 F356	C291-F385 CarbonylContact C-O 3.15Å; C291-F385 VanDerWaalsContact CA-O 3.24Å; C291-F385 WeakPolarHBondContact CA-O 3.04Å; I292-F385 HydrophobicContact CB-CB 4.37Å; I292-F385 PolarHBondContact N-O 3.32Å; I292-F385 PolarHBondContact O-N 3.45Å; C294-F385 HydrophobicContact CB-CE2 4.27Å; L329-F385 HydrophobicContact CD1-CE2 3.86Å; L329-F385 HydrophobicContact CD1-CZ 4.29Å; L329-F385 HydrophobicContact CD2-CD2 4.44Å; L329-F385 HydrophobicContact CD2-CE2 4.46Å; L342-F385 HydrophobicContact CB-CB 4.43Å; L342-F385 HydrophobicContact CB-CD1 4.35Å; L342-F385 HydrophobicContact CD1-CD1 4.47Å; L342-F385 HydrophobicContact CD2-CB 4.17Å; E343-F385 WeakPolarHBondContact O-CA 3.3Å; P344-F385 WeakPolarHBondContact O-CD1 3.43Å; L346-F385 HydrophobicContact CD2-CD1 4.26Å; L346-F385 HydrophobicContact CD2-CE1 3.45Å; L346-F385 VanDerWaalsContact CD2-CE1 3.45Å; L346-F385 HydrophobicContact CD2-CZ 3.59Å; F356-F385 HydrophobicContact CE2-CE1 4.41Å; F356-F385 AromaticContact CE2-CZ 3.83Å; F356-F385 HydrophobicContact CE2-CZ 3.83Å; F356-F385 HydrophobicContact CZ-CZ 4.07Å
386	R	85.9	Confident	59.5	Low	88 Å²	88	98.4 Å²	98.4	33%	0.332	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	139.6	168.1	-175.5	-179.8	-71.9	-133.9	0.3	109.1	V290 L342 E343 V388	V290-R386 WeakPolarHBondContact O-CA 3.34Å; V290-R386 WeakPolarHBondContact O-CG 3.35Å; L342-R386 CarbonylContact C-O 3.54Å; L342-R386 WeakPolarHBondContact CA-O 3.45Å; E343-R386 HydrophobicContact CB-CB 4.32Å; E343-R386 PolarHBondContact N-O 3.29Å; E343-R386 PolarHBondContact O-N 2.96Å; R386-V388 HydrophobicContact CB-CG2 4.44Å; R386-V388 HydrophobicContact CG-CG2 4.01Å
387	I	87.9	Confident	59.4	Low	1 Å²	1	94.9 Å²	94.9	1%	0.005	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	120.3	170	-52.6	-176.8	0	0	0	107.7	L286 I289 V290 I292 L336 L342 Y389	L286-I387 HydrophobicContact CD1-CD1 4.07Å; I289-I387 HydrophobicContact CB-CD1 4.04Å; I289-I387 HydrophobicContact CG2-CD1 3.96Å; V290-I387 PolarHBondContact O-N 2.81Å; I292-I387 HydrophobicContact CD1-CD1 3.99Å; I292-I387 HydrophobicContact CD1-CG1 4.21Å; I292-I387 HydrophobicContact CG1-CD1 4.37Å; I292-I387 HydrophobicContact CG1-CG1 4.43Å; L336-I387 HydrophobicContact CD1-CG2 3.99Å; L336-I387 HydrophobicContact CD2-CG2 3.74Å; L342-I387 HydrophobicContact CD2-CG1 4.01Å; I387-Y389 HydrophobicContact CG2-CD2 4.27Å; I387-Y389 HydrophobicContact CG2-CE2 3.51Å
388	V	82.7	Confident	58.8	Low	39 Å²	39	91 Å²	91	24%	0.236	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.1	-176.9	-174.2	0	0	0	0	109.7	G340 Q341 E343 R386	G340-V388 CarbonylContact C-O 3.57Å; G340-V388 WeakPolarHBondContact CA-O 3.47Å; Q341-V388 HydrophobicContact CG-CB 4.41Å; Q341-V388 PolarHBondContact N-O 3.31Å; Q341-V388 PolarHBondContact O-N 2.61Å; E343-V388 HydrophobicContact CB-CG2 3.75Å; E343-V388 VanDerWaalsContact OE2-CG2 3.32Å; E343-V388 WeakPolarHBondContact OE2-CG2 3.39Å; R386-V388 HydrophobicContact CB-CG2 4.44Å; R386-V388 HydrophobicContact CG-CG2 4.01Å
389	Y	81.6	Confident	58.1	Low	46 Å²	46	88.9 Å²	88.9	18%	0.18	49%	0.485	C	S	.	.			trans	-114.3	122.2	175	-62.8	-86.5	0	0	0	108.9	L336 R339 I387 G391 Y392	L336-Y389 HydrophobicContact CD2-CE1 4.01Å; L336-Y389 WeakPolarHBondContact CD2-OH 3.5Å; R339-Y389 WeakPolarHBondContact O-CA 3.36Å; R339-Y389 WeakPolarHBondContact O-CD1 3.49Å; I387-Y389 HydrophobicContact CG2-CD2 4.27Å; I387-Y389 HydrophobicContact CG2-CE2 3.51Å; Y389-G391 PolarHBondContact O-N 3.03Å; Y389-Y392 PolarHBondContact O-N 3.03Å
390	P	62.7	Low	57.1	Low	100 Å²	100	90 Å²	90	65%	0.649	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	128.4	178.3	-20.4	33.5	0	0	0	110.8	R339	R339-P390 WeakPolarHBondContact O-CD 3.3Å
391	G	55.8	Low	55.8	Low	84 Å²	84	95.8 Å²	95.8	87%	0.866	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.2	-14.7	-179.7	0	0	0	0	0	115.4	Y389	Y389-G391 PolarHBondContact O-N 3.03Å
392	Y	47.3	Very low	53.9	Low	189 Å²	189	102 Å²	102	74%	0.741	52%	0.521	S	S	*	.			trans	-97	107.8	170.3	-86.4	-98.1	0	0	0	110.1	Y389 Y394	Y389-Y392 PolarHBondContact O-N 3.03Å; Y392-Y394 PolarHBondContact O-N 3.25Å
393	R	33.8	Very low	51.4	Low	238 Å²	238	105 Å²	105	90%	0.898	53%	0.531	S	S	*	.			trans	-75.4	104.4	164.6	-70.1	-169.5	180	-167.5	0.6	107.6	D395	R393-D395 PolarHBondContact O-N 2.87Å
394	Y	41.4	Very low	48.9	Very low	82 Å²	82	108.2 Å²	108.2	32%	0.322	56%	0.557	S	S	.	*			trans	-67.7	113.7	155.4	-82.1	-89.4	0	0	0	106.2	V290 Q309 Y392 A396	V290-Y394 HydrophobicContact CG2-CE1 4.28Å; Q309-Y394 PolarHBondContact NE2-OH 3.38Å; Y392-Y394 PolarHBondContact O-N 3.25Å; Y394-A396 PolarHBondContact O-N 3.18Å
395	D	30.4	Very low	46.4	Very low	147 Å²	147	111.5 Å²	111.5	79%	0.786	58%	0.578	S	S	*	*			trans	-52	129	159.2	-77.7	-32.1	0	0	0	107	R393 I397	R393-D395 PolarHBondContact O-N 2.87Å; D395-I397 PolarHBondContact O-N 3.14Å
396	A	29.8	Very low	43.7	Very low	85 Å²	85	115 Å²	115	70%	0.702	61%	0.614	S	S	*	*			trans	-54.9	100.7	-165.5	0	0	0	0	0	111.8	Y394 T398	Y394-A396 PolarHBondContact O-N 3.18Å; A396-T398 PolarHBondContact O-N 3.49Å
397	I	31.8	Very low	40.8	Very low	103 Å²	103	117 Å²	117	53%	0.528	64%	0.642	S	S	.	*			trans	-73.3	84.6	155.1	-53.4	177.8	0	0	0	105.8	D395 I399	D395-I397 PolarHBondContact O-N 3.14Å; I397-I399 VanDerWaalsContact C-N 3.34Å; I397-I399 HydrophobicContact CG2-CD1 4.43Å; I397-I399 HydrophobicContact CG2-CG1 3.78Å; I397-I399 PolarHBondContact O-N 3.3Å; I397-I399 VanDerWaalsContact O-N 3.12Å
398	T	26	Very low	38	Very low	107 Å²	107	129 Å²	129	66%	0.656	69%	0.687	S	S	*	*			trans	-71.8	93	164.7	-48.8	0	0	0	0	107	A396 N400	A396-T398 PolarHBondContact O-N 3.49Å; T398-N400 PolarHBondContact O-N 2.69Å; T398-N400 VanDerWaalsContact O-N 3.1Å
399	I	28.5	Very low	35.3	Very low	113 Å²	113	131.4 Å²	131.4	58%	0.579	71%	0.711	S	S	*	*			trans	-74	98.9	164.1	-56.6	-177.8	0	0	0	106	I397 Y401	I397-I399 VanDerWaalsContact C-N 3.34Å; I397-I399 HydrophobicContact CG2-CD1 4.43Å; I397-I399 HydrophobicContact CG2-CG1 3.78Å; I397-I399 PolarHBondContact O-N 3.3Å; I397-I399 VanDerWaalsContact O-N 3.12Å; I399-Y401 HydrophobicContact CB-CE2 4.47Å; I399-Y401 HydrophobicContact CG2-CD2 4.06Å; I399-Y401 HydrophobicContact CG2-CE2 3.84Å; I399-Y401 PolarHBondContact O-N 3.35Å
400	N	25	Very low	32.7	Very low	150 Å²	150	135.4 Å²	135.4	80%	0.802	74%	0.743	S	S	*	*			trans	-62.5	102.6	171.7	-106.2	-12.4	0	0	0	108.9	T398 H402	T398-N400 PolarHBondContact O-N 2.69Å; T398-N400 VanDerWaalsContact O-N 3.1Å; N400-H402 PolarHBondContact O-N 2.83Å
401	Y	28	Very low	31	Very low	172 Å²	172	134.1 Å²	134.1	68%	0.675	74%	0.736	S	S	*	*			trans	-83.3	103.4	162.2	-85.5	-92.2	0	0	0	107.6	I399	I399-Y401 HydrophobicContact CB-CE2 4.47Å; I399-Y401 HydrophobicContact CG2-CD2 4.06Å; I399-Y401 HydrophobicContact CG2-CE2 3.84Å; I399-Y401 PolarHBondContact O-N 3.35Å
402	H	23.9	Very low	30	Very low	163 Å²	163	137.6 Å²	137.6	76%	0.755	73%	0.734	S	S	*	*			trans	178.6	129	142.1	-97.2	-61.4	0	0	0	111.4	N400	N400-H402 PolarHBondContact O-N 2.83Å
403	H	24	Very low	29.2	Very low	163 Å²	163	133.6 Å²	133.6	76%	0.755	73%	0.726	S	S	*	*			trans	89.9	105.4	161	-56.5	-62.1	0	0	0	120.1
404	T	30.5	Very low	29.2	Very low	121 Å²	121	127.4 Å²	127.4	74%	0.742	71%	0.711	S	S	*	*			trans	-24.5	149.8	139.4	28.9	0	0	0	0	116.4
405	T	29.4	Very low	28.9	Very low	147 Å²	147	129.3 Å²	129.3	90%	0.902	73%	0.726	S	S	*	*			trans	88.2	107.3	167.5	62.4	0	0	0	0	118.4
406	G	32.1	Very low	29.3	Very low	76 Å²	76	129.3 Å²	129.3	78%	0.784	72%	0.721	S	S	*	*			trans	94.1	119.8	145	0	0	0	0	0	118
407	S	24.4	Very low	29.6	Very low	132 Å²	132	129.8 Å²	129.8	92%	0.923	71%	0.709	S	S	*	*			trans	98.1	115	155.9	-64.4	0	0	0	0	119.9
408	R	28	Very low	29.9	Very low	252 Å²	252	131.4 Å²	131.4	95%	0.951	72%	0.715	S	S	*	*			trans	-17.9	130.2	167	-73.2	169.2	164.8	163.9	-6.7	119
409	A	26.6	Very low	30.5	Very low	90 Å²	90	132.4 Å²	132.4	74%	0.744	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-92.1	163.6	153.4	0	0	0	0	0	110.5
410	P	27.2	Very low	31.1	Very low	129 Å²	129	132.6 Å²	132.6	84%	0.838	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-70.2	142.7	-179.9	-3.3	20.8	0	0	0	110.8
411	S	26.7	Very low	31.9	Very low	74 Å²	74	132.4 Å²	132.4	52%	0.517	70%	0.702	S	S	.	*	P	Polyproline II helix	trans	-73.8	142.3	-174	44.8	0	0	0	0	113.2	D413	S411-D413 VanDerWaalsContact CB-OD2 3.29Å; S411-D413 WeakPolarHBondContact CB-OD2 3.4Å; S411-D413 PolarHBondContact O-N 3.14Å
412	L	35.3	Very low	32.6	Very low	156 Å²	156	126.9 Å²	126.9	82%	0.817	68%	0.684	S	S	*	*	S	Bend	trans	-81.3	35.8	163.9	-74.5	164.6	0	0	0	110.9
413	D	30.7	Very low	33.5	Very low	105 Å²	105	124.9 Å²	124.9	56%	0.561	67%	0.674	S	S	*	*			trans	-96.2	-6.3	-177.1	-65.5	-25.6	0	0	0	111.9	S411	S411-D413 VanDerWaalsContact CB-OD2 3.29Å; S411-D413 WeakPolarHBondContact CB-OD2 3.4Å; S411-D413 PolarHBondContact O-N 3.14Å
414	D	33.8	Very low	34.4	Very low	109 Å²	109	119.7 Å²	119.7	58%	0.583	66%	0.66	S	S	*	*	H	α-helix	trans	-79	-23.7	-176.7	-77.9	-24	0	0	0	113.7	E418	D414-E418 PolarHBondContact O-N 3.34Å
415	D	35.6	Very low	34.9	Very low	122 Å²	122	118.6 Å²	118.6	65%	0.652	65%	0.648	S	S	*	*	H	α-helix	trans	-81.3	-33.3	-178.3	-73.3	-32.5	0	0	0	112.7	E419	D415-E419 PolarHBondContact O-N 3.07Å
416	E	38.4	Very low	35.5	Very low	146 Å²	146	114.7 Å²	114.7	68%	0.682	62%	0.62	S	S	*	*	H	α-helix	trans	-72.6	-32.5	172.1	-71.3	-171.9	168	0	0	110.8	E419 D420	E416-E419 PolarHBondContact O-N 3.32Å; E416-D420 PolarHBondContact O-N 2.9Å; E416-D420 VanDerWaalsContact O-N 3.14Å
417	E	36.5	Very low	36	Very low	96 Å²	96	114.6 Å²	114.6	45%	0.449	61%	0.608	S	S	.	*	H	α-helix	trans	-69.1	-31.2	175.1	-119.4	-170	-168.3	0	0	113	R421	E417-R421 VanDerWaalsContact O-CB 3.24Å; E417-R421 WeakPolarHBondContact O-CB 3.24Å; E417-R421 WeakPolarHBondContact O-CD 3.25Å; E417-R421 WeakPolarHBondContact O-CG 3.32Å; E417-R421 PolarHBondContact O-N 3.22Å; E417-R421 IonicContact OE2-CZ 2.69Å; E417-R421 IonicContact OE2-NE 2.83Å; E417-R421 IonicContact OE2-NH2 3.17Å; E417-R421 PolarHBondContact OE2-NH2 3.49Å
418	E	37.7	Very low	36.9	Very low	137 Å²	137	113.7 Å²	113.7	64%	0.64	59%	0.59	S	S	*	*	H	α-helix	trans	-69.7	-36.6	173.3	-90.5	-142.2	151.6	0	0	112.7	D414 R421 L422	D414-E418 PolarHBondContact O-N 3.34Å; E418-R421 PolarHBondContact O-N 3.01Å; E418-L422 WeakPolarHBondContact O-CB 3.23Å; E418-L422 PolarHBondContact O-N 3.11Å
419	E	37.4	Very low	37.7	Very low	127 Å²	127	106.1 Å²	106.1	59%	0.593	57%	0.568	S	S	*	*	H	α-helix	trans	-72.3	-34.1	179.1	-155.6	171.3	-160.4	0	0	111.9	D415 E416 L422 H423	D415-E419 PolarHBondContact O-N 3.07Å; E416-E419 PolarHBondContact O-N 3.32Å; E419-L422 WeakPolarHBondContact O-CB 3.39Å; E419-L422 PolarHBondContact O-N 2.83Å; E419-H423 PolarHBondContact O-N 3.26Å; E419-H423 PolarHBondContact O-ND1 3.44Å
420	D	41.5	Very low	38.3	Very low	117 Å²	117	103.1 Å²	103.1	63%	0.626	54%	0.541	S	S	*	.	H	α-helix	trans	-73.6	-39.1	171.5	-84	-16.6	0	0	0	112.5	E416 L422 H423 A424	E416-D420 PolarHBondContact O-N 2.9Å; E416-D420 VanDerWaalsContact O-N 3.14Å; D420-L422 VanDerWaalsContact C-N 3.27Å; D420-L422 PolarHBondContact O-N 2.81Å; D420-H423 PolarHBondContact O-N 3.41Å; D420-A424 WeakPolarHBondContact O-CB 3.45Å; D420-A424 PolarHBondContact O-N 3.44Å
421	R	42.8	Very low	38.9	Very low	146 Å²	146	100.9 Å²	100.9	55%	0.551	53%	0.529	S	S	*	.	H	α-helix	trans	-63.3	-35	169.9	-76.7	172.2	-163.5	-175.2	9	111.4	E417 E418 A424 M425	E417-R421 VanDerWaalsContact O-CB 3.24Å; E417-R421 WeakPolarHBondContact O-CB 3.24Å; E417-R421 WeakPolarHBondContact O-CD 3.25Å; E417-R421 WeakPolarHBondContact O-CG 3.32Å; E417-R421 PolarHBondContact O-N 3.22Å; E417-R421 IonicContact OE2-CZ 2.69Å; E417-R421 IonicContact OE2-NE 2.83Å; E417-R421 IonicContact OE2-NH2 3.17Å; E417-R421 PolarHBondContact OE2-NH2 3.49Å; E418-R421 PolarHBondContact O-N 3.01Å; R421-A424 PolarHBondContact O-N 2.72Å; R421-M425 VanDerWaalsContact O-CB 3.26Å; R421-M425 WeakPolarHBondContact O-CB 3.39Å; R421-M425 PolarHBondContact O-N 3.36Å
422	L	42.5	Very low	39.5	Very low	56 Å²	56	106 Å²	106	29%	0.293	54%	0.537	S	S	.	.	H	α-helix	trans	-66.9	-43.5	174.9	179.7	68.3	0	0	0	111.5	E418 E419 D420 A424 M425 I426 F519	E418-L422 WeakPolarHBondContact O-CB 3.23Å; E418-L422 PolarHBondContact O-N 3.11Å; E419-L422 WeakPolarHBondContact O-CB 3.39Å; E419-L422 PolarHBondContact O-N 2.83Å; D420-L422 VanDerWaalsContact C-N 3.27Å; D420-L422 PolarHBondContact O-N 2.81Å; L422-A424 VanDerWaalsContact C-N 3.34Å; L422-M425 PolarHBondContact O-N 3.15Å; L422-I426 HydrophobicContact CD1-CD1 4.29Å; L422-I426 HydrophobicContact CG-CD1 4.17Å; L422-I426 WeakPolarHBondContact O-CB 3.27Å; L422-I426 VanDerWaalsContact O-CG1 3.27Å; L422-I426 WeakPolarHBondContact O-CG1 3.33Å; L422-I426 PolarHBondContact O-N 3.43Å; L422-F519 HydrophobicContact CD1-CE1 4.46Å; L422-F519 HydrophobicContact CD1-CE2 4.41Å; L422-F519 HydrophobicContact CD1-CZ 3.75Å
423	H	42.5	Very low	39.5	Very low	121 Å²	121	105.2 Å²	105.2	56%	0.56	53%	0.533	S	S	*	.	H	α-helix	trans	-64.1	-37.8	172.6	-89.9	63.1	0	0	0	112.4	E419 D420 S427	E419-H423 PolarHBondContact O-N 3.26Å; E419-H423 PolarHBondContact O-ND1 3.44Å; D420-H423 PolarHBondContact O-N 3.41Å; H423-S427 WeakPolarHBondContact O-CB 3.23Å; H423-S427 PolarHBondContact O-N 3.33Å; H423-S427 PolarHBondContact O-OG 3.05Å
424	A	43.7	Very low	39.8	Very low	55 Å²	55	107.8 Å²	107.8	46%	0.455	55%	0.546	S	S	.	.	H	α-helix	trans	-67.2	-41	174.5	0	0	0	0	0	112.1	D420 R421 L422 S427 M428	D420-A424 WeakPolarHBondContact O-CB 3.45Å; D420-A424 PolarHBondContact O-N 3.44Å; R421-A424 PolarHBondContact O-N 2.72Å; L422-A424 VanDerWaalsContact C-N 3.34Å; A424-S427 WeakPolarHBondContact O-CB 3.4Å; A424-S427 PolarHBondContact O-N 3.22Å; A424-M428 WeakPolarHBondContact O-CB 3.46Å; A424-M428 PolarHBondContact O-N 3.27Å
425	M	41.1	Very low	39.7	Very low	98 Å²	98	108.4 Å²	108.4	48%	0.483	55%	0.554	S	S	.	*	H	α-helix	trans	-68.1	-41.6	178.9	-159.3	-168.8	-30.7	0	0	111.8	R421 L422 S427 M428 I429	R421-M425 VanDerWaalsContact O-CB 3.26Å; R421-M425 WeakPolarHBondContact O-CB 3.39Å; R421-M425 PolarHBondContact O-N 3.36Å; L422-M425 PolarHBondContact O-N 3.15Å; M425-S427 VanDerWaalsContact C-N 3.34Å; M425-M428 WeakPolarHBondContact O-CB 3.49Å; M425-M428 PolarHBondContact O-N 3.47Å; M425-I429 HydrophobicContact CG-CD1 4.32Å; M425-I429 WeakPolarHBondContact O-CG1 3.26Å; M425-I429 PolarHBondContact O-N 3.38Å
426	I	41.1	Very low	39.3	Very low	64 Å²	64	109.7 Å²	109.7	33%	0.328	56%	0.561	S	S	.	*	H	α-helix	trans	-64	-40	173.4	-68.9	169.5	0	0	0	110.6	L422 C430	L422-I426 HydrophobicContact CD1-CD1 4.29Å; L422-I426 HydrophobicContact CG-CD1 4.17Å; L422-I426 WeakPolarHBondContact O-CB 3.27Å; L422-I426 VanDerWaalsContact O-CG1 3.27Å; L422-I426 WeakPolarHBondContact O-CG1 3.33Å; L422-I426 PolarHBondContact O-N 3.43Å; I426-C430 VanDerWaalsContact O-CB 3.27Å; I426-C430 WeakPolarHBondContact O-CB 3.16Å; I426-C430 PolarHBondContact O-N 2.96Å; I426-C430 PolarHBondContact O-SG 3.16Å
427	S	43.5	Very low	39.2	Very low	75 Å²	75	107.4 Å²	107.4	52%	0.524	56%	0.559	S	S	.	*	H	α-helix	trans	-64.4	-36.9	172.3	-80.6	0	0	0	0	112.9	H423 A424 M425 S431	H423-S427 WeakPolarHBondContact O-CB 3.23Å; H423-S427 PolarHBondContact O-N 3.33Å; H423-S427 PolarHBondContact O-OG 3.05Å; A424-S427 WeakPolarHBondContact O-CB 3.4Å; A424-S427 PolarHBondContact O-N 3.22Å; M425-S427 VanDerWaalsContact C-N 3.34Å; S427-S431 VanDerWaalsContact O-CB 3.31Å; S427-S431 WeakPolarHBondContact O-CB 3.46Å; S427-S431 PolarHBondContact O-N 3.05Å; S427-S431 VanDerWaalsContact O-N 3.1Å; S427-S431 PolarHBondContact O-OG 3.47Å
428	M	43.2	Very low	38.9	Very low	112 Å²	112	110 Å²	110	55%	0.552	58%	0.576	S	S	*	*	H	α-helix	trans	-70.2	-39.9	178.8	-160.4	-162.6	-54.3	0	0	112.5	A424 M425 S431 R432	A424-M428 WeakPolarHBondContact O-CB 3.46Å; A424-M428 PolarHBondContact O-N 3.27Å; M425-M428 WeakPolarHBondContact O-CB 3.49Å; M425-M428 PolarHBondContact O-N 3.47Å; M428-S431 WeakPolarHBondContact CA-OG 3.46Å; M428-S431 PolarHBondContact O-OG 2.81Å; M428-R432 PolarHBondContact O-N 3.24Å
429	I	44.3	Very low	38.5	Very low	93 Å²	93	108.9 Å²	108.9	48%	0.477	58%	0.578	S	S	.	*	H	α-helix	trans	-72.1	-37.7	176.6	-66.2	166.6	0	0	0	110.7	M425 S431	M425-I429 HydrophobicContact CG-CD1 4.32Å; M425-I429 WeakPolarHBondContact O-CG1 3.26Å; M425-I429 PolarHBondContact O-N 3.38Å; I429-S431 VanDerWaalsContact C-N 3.31Å; I429-S431 PolarHBondContact O-N 3.23Å
430	C	39.1	Very low	38.3	Very low	28 Å²	28	111.1 Å²	111.1	19%	0.189	59%	0.593	C	S	.	*	H	α-helix	trans	-69.5	-27.2	178	-71.5	0	0	0	0	113.4	I426 K511	I426-C430 VanDerWaalsContact O-CB 3.27Å; I426-C430 WeakPolarHBondContact O-CB 3.16Å; I426-C430 PolarHBondContact O-N 2.96Å; I426-C430 PolarHBondContact O-SG 3.16Å; C430-K511 PolarHBondContact O-NZ 3.3Å
431	S	39.7	Very low	37.6	Very low	82 Å²	82	115 Å²	115	57%	0.573	61%	0.605	S	S	*	*	H	α-helix	trans	-86.5	-12.9	-178.2	49.9	0	0	0	0	114.8	S427 M428 I429 N433	S427-S431 VanDerWaalsContact O-CB 3.31Å; S427-S431 WeakPolarHBondContact O-CB 3.46Å; S427-S431 PolarHBondContact O-N 3.05Å; S427-S431 VanDerWaalsContact O-N 3.1Å; S427-S431 PolarHBondContact O-OG 3.47Å; M428-S431 WeakPolarHBondContact CA-OG 3.46Å; M428-S431 PolarHBondContact O-OG 2.81Å; I429-S431 VanDerWaalsContact C-N 3.31Å; I429-S431 PolarHBondContact O-N 3.23Å; S431-N433 PolarHBondContact O-N 3.49Å
432	R	39.7	Very low	37	Very low	181 Å²	181	114.6 Å²	114.6	68%	0.683	61%	0.613	S	S	*	*	S	Bend	trans	-72.1	118.1	169.5	-78.8	180	166.4	166.1	-3.1	110.6	M428 L434 K511	M428-R432 PolarHBondContact O-N 3.24Å; R432-L434 PolarHBondContact O-N 3.47Å; R432-K511 PolarHBondContact O-NZ 3.4Å; R432-K511 VanDerWaalsContact O-NZ 3.14Å
433	N	34.6	Very low	36.3	Very low	139 Å²	139	120.1 Å²	120.1	74%	0.743	64%	0.637	S	S	*	*			trans	-70.5	110.6	166.7	-79.5	-31.9	0	0	0	108.3	S431 T435	S431-N433 PolarHBondContact O-N 3.49Å; N433-T435 PolarHBondContact O-N 3.48Å; N433-T435 VanDerWaalsContact O-N 3.1Å
434	L	36.8	Very low	35.4	Very low	160 Å²	160	117.7 Å²	117.7	84%	0.838	65%	0.645	S	S	*	*	S	Bend	trans	-79.6	28.8	176	-82.9	160.2	0	0	0	112.6	R432	R432-L434 PolarHBondContact O-N 3.47Å
435	T	31.6	Very low	34.6	Very low	122 Å²	122	123.8 Å²	123.8	75%	0.748	66%	0.664	S	S	*	*			trans	-135.3	35.4	-176	58.2	0	0	0	0	112.4	N433	N433-T435 PolarHBondContact O-N 3.48Å; N433-T435 VanDerWaalsContact O-N 3.1Å
436	D	27.5	Very low	33.9	Very low	148 Å²	148	126.3 Å²	126.3	79%	0.791	68%	0.676	S	S	*	*			trans	-104.6	111.1	167.3	-145.9	-15.1	0	0	0	108.9	N438	D436-N438 PolarHBondContact O-N 2.99Å
437	P	35.5	Very low	33.1	Very low	98 Å²	98	129.8 Å²	129.8	64%	0.636	69%	0.693	S	S	*	*			trans	-86	106.7	172.2	31.5	-22.6	0	0	0	106.9
438	N	31.5	Very low	32.2	Very low	151 Å²	151	133.8 Å²	133.8	81%	0.807	70%	0.703	S	S	*	*			trans	-177.4	124.4	141.6	-91.5	-34	0	0	0	115.3	D436	D436-N438 PolarHBondContact O-N 2.99Å
439	V	29.4	Very low	31.2	Very low	113 Å²	113	135.2 Å²	135.2	69%	0.685	71%	0.71	S	S	*	*			trans	73.5	97.4	139	-171.1	0	0	0	0	118.6	K441	V439-K441 PolarHBondContact O-N 2.87Å
440	L	32.6	Very low	30.3	Very low	175 Å²	175	139.1 Å²	139.1	92%	0.916	73%	0.726	S	S	*	*			trans	-42	119.3	144	-145	93.8	0	0	0	110.7
441	K	27.9	Very low	29.5	Very low	199 Å²	199	141.1 Å²	141.1	87%	0.865	75%	0.752	S	S	*	*			trans	-146.9	135.3	153.1	-114.4	-178.4	-176.5	-176.5	0	111.6	V439	V439-K441 PolarHBondContact O-N 2.87Å
442	D	28.3	Very low	28.7	Very low	137 Å²	137	147.8 Å²	147.8	73%	0.733	77%	0.771	S	S	*	*			trans	-79.9	177.2	-170.1	-161.3	7.5	0	0	0	112.9
443	H	27.7	Very low	27.9	Very low	172 Å²	172	142.5 Å²	142.5	80%	0.796	77%	0.773	S	S	*	*			trans	102.2	128.2	172.4	-51.7	-48.7	0	0	0	115
444	G	24.7	Very low	27.3	Very low	69 Å²	69	139.5 Å²	139.5	71%	0.711	78%	0.775	S	S	*	*			cis	103.1	105.5	19.1	0	0	0	0	0	111
445	E	27	Very low	26.8	Very low	184 Å²	184	137.8 Å²	137.8	86%	0.86	78%	0.776	S	S	*	*			trans	88	123.4	157.4	-63.5	-171.6	168.2	0	0	122.9
446	M	26.2	Very low	26.5	Very low	150 Å²	150	138 Å²	138	74%	0.739	78%	0.78	S	S	*	*			trans	81.4	108.8	133.7	-72.2	-174.3	88.9	0	0	123.6
447	M	24.7	Very low	26.3	Very low	138 Å²	138	136 Å²	136	68%	0.68	78%	0.778	S	S	*	*				91.2	129.6	107.2	-153.1	144.9	-179.2	0	0	121.9
448	E	23.3	Very low	25.7	Very low	159 Å²	159	136 Å²	136	74%	0.743	78%	0.779	S	S	*	*			trans	69.8	151	156.3	-78.6	174.6	-177.9	0	0	120
449	M	24	Very low	25.3	Very low	141 Å²	141	138.6 Å²	138.6	70%	0.695	78%	0.778	S	S	*	*			cis	-177.9	150.9	-19.7	175.1	142.5	156.6	0	0	106.5
450	Q	24.2	Very low	25	Very low	175 Å²	175	140.5 Å²	140.5	82%	0.818	78%	0.779	S	S	*	*			trans	74.8	129.4	157	-86.2	167.6	-4.3	0	0	122.1
451	G	22.8	Very low	24.5	Very low	70 Å²	70	141.4 Å²	141.4	72%	0.722	78%	0.779	S	S	*	*				129.6	90.8	123.6	0	0	0	0	0	118.6
452	F	23.5	Very low	24.3	Very low	222 Å²	222	138.3 Å²	138.3	97%	0.974	78%	0.777	S	S	*	*			trans	26.7	130.5	141.4	-91.2	-94.8	0	0	0	121.8
453	G	22.2	Very low	24.2	Very low	71 Å²	71	140.1 Å²	140.1	73%	0.732	78%	0.781	S	S	*	*			trans	132.1	113.5	130.7	0	0	0	0	0	116.9
454	G	22.6	Very low	24.1	Very low	76 Å²	76	137 Å²	137	78%	0.784	79%	0.785	S	S	*	*			trans	52.4	120.3	135	0	0	0	0	0	120.3
455	S	26.1	Very low	24.1	Very low	124 Å²	124	137.3 Å²	137.3	87%	0.867	78%	0.781	S	S	*	*			trans	-26.3	150	167.9	-42.9	0	0	0	0	117.5
456	P	25.4	Very low	24.2	Very low	126 Å²	126	134.6 Å²	134.6	82%	0.818	78%	0.777	S	S	*	*			trans	-131.8	141.7	130.8	32.2	-18.3	0	0	0	113.1
457	S	22.2	Very low	24.2	Very low	107 Å²	107	136 Å²	136	75%	0.748	78%	0.782	S	S	*	*			trans	-68.6	153	163.4	40.4	0	0	0	0	112
458	S	22.3	Very low	24.5	Very low	96 Å²	96	137.5 Å²	137.5	67%	0.671	79%	0.787	S	S	*	*			trans	68.5	122.4	161.5	70.6	0	0	0	0	116.8
459	W	23.4	Very low	24.7	Very low	207 Å²	207	137.2 Å²	137.2	78%	0.784	78%	0.784	S	S	*	*				-177.9	115.8	104.4	-94.1	86.1	0	0	0	108.4
460	Q	23.2	Very low	25	Very low	152 Å²	152	137.9 Å²	137.9	71%	0.71	79%	0.789	S	S	*	*			trans	63.8	104	149.8	-64.4	176	-29.2	0	0	120.5
461	Q	23.8	Very low	25.2	Very low	195 Å²	195	133.8 Å²	133.8	91%	0.911	78%	0.779	S	S	*	*				-165.8	111	102.1	-104.4	171.1	32.1	0	0	110.2
462	T	23.7	Very low	25.7	Very low	134 Å²	134	139.5 Å²	139.5	82%	0.822	79%	0.787	S	S	*	*			trans	-68.6	142.2	176.7	-40.5	0	0	0	0	110.5
463	E	25.9	Very low	26.2	Very low	174 Å²	174	133.7 Å²	133.7	81%	0.813	77%	0.774	S	S	*	*			trans	-42.5	138.3	171.9	-61.1	164.7	139	0	0	114.1
464	A	24.1	Very low	26.5	Very low	107 Å²	107	136.8 Å²	136.8	88%	0.884	78%	0.782	S	S	*	*			trans	-110.7	80.6	154.7	0	0	0	0	0	108.2
465	A	26.6	Very low	26.9	Very low	75 Å²	75	138.6 Å²	138.6	62%	0.62	78%	0.783	S	S	*	*			trans	-66.4	140.8	159	0	0	0	0	0	109.5
466	T	28.6	Very low	27.1	Very low	128 Å²	128	139.4 Å²	139.4	79%	0.785	78%	0.783	S	S	*	*			trans	38.2	89.4	147.5	48.9	0	0	0	0	116.9	E468	T466-E468 VanDerWaalsContact C-N 3.33Å; T466-E468 PolarHBondContact O-N 3.33Å; T466-E468 VanDerWaalsContact O-N 3.1Å
467	Q	26	Very low	27.3	Very low	180 Å²	180	138.3 Å²	138.3	84%	0.841	79%	0.785	S	S	*	*			trans	-73.1	92.2	153.1	-99.7	179.1	-24.6	0	0	109
468	E	29.7	Very low	27.5	Very low	168 Å²	168	136.6 Å²	136.6	79%	0.785	78%	0.784	S	S	*	*			trans	-70.8	126.2	150.8	-75.8	-174.7	150.6	0	0	108.4	T466 L470	T466-E468 VanDerWaalsContact C-N 3.33Å; T466-E468 PolarHBondContact O-N 3.33Å; T466-E468 VanDerWaalsContact O-N 3.1Å; E468-L470 PolarHBondContact O-N 3.35Å
469	F	28	Very low	27.8	Very low	154 Å²	154	137.6 Å²	137.6	68%	0.675	79%	0.791	S	S	*	*			trans	-81.4	107.2	167.8	-86.5	-92.2	0	0	0	109	H493	F469-H493 AromaticContact CD1-NE2 3.95Å; F469-H493 AromaticContact CD2-CE1 3.7Å; F469-H493 AromaticContact CG-CE1 3.62Å; F469-H493 AromaticContact CG-NE2 3.79Å
470	L	29.9	Very low	28.1	Very low	155 Å²	155	135.1 Å²	135.1	81%	0.812	79%	0.793	S	S	*	*			trans	-120.8	127.8	158.5	-85.8	164.9	0	0	0	109.4	E468 Q472	E468-L470 PolarHBondContact O-N 3.35Å; L470-Q472 PolarHBondContact O-N 2.75Å
471	C	28.8	Very low	28.3	Very low	88 Å²	88	133.1 Å²	133.1	60%	0.595	80%	0.796	S	S	*	*			trans	-55.5	114.9	-178	-174.5	0	0	0	0	112.2	S473	C471-S473 PolarHBondContact O-N 2.79Å; C471-S473 VanDerWaalsContact O-N 3.17Å
472	Q	32.9	Very low	28.4	Very low	191 Å²	191	129 Å²	129	89%	0.893	79%	0.789	S	S	*	*			trans	-80	84	169.8	-85.2	175.5	-25.4	0	0	110.4	L470	L470-Q472 PolarHBondContact O-N 2.75Å
473	S	34.3	Very low	28.8	Very low	100 Å²	100	132 Å²	132	70%	0.699	79%	0.791	S	S	*	*			trans	-162.1	77	160.8	-72.8	0	0	0	0	109.1	C471	C471-S473 PolarHBondContact O-N 2.79Å; C471-S473 VanDerWaalsContact O-N 3.17Å
474	C	29	Very low	28.7	Very low	135 Å²	135	131 Å²	131	91%	0.912	79%	0.791	S	S	*	*			trans	170.6	79.5	157.3	-91.1	0	0	0	0	108.3
475	S	31.8	Very low	28.9	Very low	114 Å²	114	136 Å²	136	80%	0.797	79%	0.788	S	S	*	*			trans	-108.2	115.5	165.4	-56.6	0	0	0	0	107.9
476	T	29.9	Very low	28.9	Very low	142 Å²	142	138.8 Å²	138.8	87%	0.871	80%	0.798	S	S	*	*			trans	176.8	133.1	135.8	35.3	0	0	0	0	112.7
477	A	28.8	Very low	29	Very low	103 Å²	103	137.7 Å²	137.7	85%	0.851	80%	0.802	S	S	*	*			trans	82.3	121.4	149.4	0	0	0	0	0	121.1
478	G	26.6	Very low	29.1	Very low	71 Å²	71	133 Å²	133	73%	0.732	80%	0.802	S	S	*	*				102	99	121.3	0	0	0	0	0	119.4
479	S	29.4	Very low	29	Very low	116 Å²	116	130.3 Å²	130.3	81%	0.811	80%	0.801	S	S	*	*			trans	22.5	132.8	140.5	58.3	0	0	0	0	123
480	N	28.7	Very low	29.6	Very low	155 Å²	155	129.8 Å²	129.8	83%	0.829	81%	0.81	S	S	*	*			trans	73.4	129.5	145.2	-81	3	0	0	0	122.9
481	S	28.6	Very low	29.6	Very low	110 Å²	110	126.4 Å²	126.4	77%	0.769	80%	0.799	S	S	*	*			trans	74.4	132	149.5	60.1	0	0	0	0	122.3
482	S	26.3	Very low	30	Very low	110 Å²	110	130.6 Å²	130.6	77%	0.769	81%	0.814	S	S	*	*			trans	70.6	134.8	150	57.4	0	0	0	0	122.1
483	F	30.3	Very low	30.2	Very low	196 Å²	196	127.8 Å²	127.8	86%	0.86	80%	0.8	S	S	*	*			trans	-3.5	128.4	156.9	-78.9	-97.4	0	0	0	118.3
484	D	24.7	Very low	30.2	Very low	153 Å²	153	130.5 Å²	130.5	82%	0.818	80%	0.802	S	S	*	*				173.8	166.8	100.2	-107.5	-25.4	0	0	0	113.1
485	Y	27.4	Very low	30.8	Very low	212 Å²	212	129.1 Å²	129.1	83%	0.831	79%	0.791	S	S	*	*			trans	-72	155.8	-171.8	-106.8	-97.3	0	0	0	116.5
486	T	26.5	Very low	31.1	Very low	133 Å²	133	129.5 Å²	129.5	82%	0.816	78%	0.784	S	S	*	*			trans	99	124.2	151.6	54.4	0	0	0	0	123.5
487	A	30.8	Very low	31.6	Very low	105 Å²	105	128 Å²	128	87%	0.868	77%	0.77	S	S	*	*			trans	91	106.1	139.5	0	0	0	0	0	121.6
488	G	29.4	Very low	32.2	Very low	82 Å²	82	129 Å²	129	85%	0.845	76%	0.76	S	S	*	*				110.1	98.7	121.7	0	0	0	0	0	118.7
489	C	26.6	Very low	33	Very low	112 Å²	112	130.2 Å²	130.2	76%	0.757	75%	0.747	S	S	*	*			trans	-144.2	118	147.3	-160.1	0	0	0	0	111
490	T	40.4	Very low	33.5	Very low	142 Å²	142	129.3 Å²	129.3	87%	0.871	73%	0.732	S	S	*	*			trans	-88	108.2	178.2	32.4	0	0	0	0	111
491	C	30.7	Very low	34.3	Very low	85 Å²	85	127.3 Å²	127.3	57%	0.574	72%	0.72	S	S	*	*			trans	-130.6	109.2	157.2	29	0	0	0	0	108.9	H493	C491-H493 PolarHBondContact O-N 2.88Å
492	L	37.8	Very low	35.2	Very low	175 Å²	175	125.8 Å²	125.8	92%	0.916	71%	0.707	S	S	*	*			trans	-72.8	110.6	179.1	-79.6	150.6	0	0	0	109.9
493	H	37	Very low	36	Very low	132 Å²	132	121.2 Å²	121.2	61%	0.611	67%	0.674	S	S	*	*			trans	-91.9	136.7	155.3	-89.7	-125.9	0	0	0	109.2	F469 C491	F469-H493 AromaticContact CD1-NE2 3.95Å; F469-H493 AromaticContact CD2-CE1 3.7Å; F469-H493 AromaticContact CG-CE1 3.62Å; F469-H493 AromaticContact CG-NE2 3.79Å; C491-H493 PolarHBondContact O-N 2.88Å
494	Q	34.6	Very low	36.7	Very low	158 Å²	158	118.5 Å²	118.5	74%	0.738	66%	0.662	S	S	*	*			trans	-60	149.4	-174.2	-83.7	163.2	-56.7	0	0	113.6	L496	Q494-L496 VanDerWaalsContact C-N 3.29Å; Q494-L496 PolarHBondContact O-N 3.27Å
495	P	40	Very low	37.8	Very low	105 Å²	105	115.7 Å²	115.7	68%	0.682	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-0.7	-176.1	-12.4	28.4	0	0	0	116.2
496	L	39.8	Very low	38.7	Very low	123 Å²	123	108.4 Å²	108.4	64%	0.644	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-24.5	-170.8	-97.2	100.6	0	0	0	115.1	Q494	Q494-L496 VanDerWaalsContact C-N 3.29Å; Q494-L496 PolarHBondContact O-N 3.27Å
497	D	38.6	Very low	39.6	Very low	109 Å²	109	104.2 Å²	104.2	58%	0.583	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-13.2	-172.2	-78.6	-37.7	0	0	0	114.9	H499 I501	D497-H499 PolarHBondContact O-N 3.12Å; D497-I501 WeakPolarHBondContact O-CD1 3.2Å
498	I	42.7	Very low	40.5	Very low	124 Å²	124	103.2 Å²	103.2	64%	0.636	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-21.9	179.5	-67.9	170.3	0	0	0	111.9	P502	I498-P502 WeakPolarHBondContact O-CD 3.31Å
499	H	42.4	Very low	41.4	Very low	97 Å²	97	103 Å²	103	45%	0.449	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.7	-13.9	-172.6	-72.2	-71.7	0	0	0	115.3	H12 D497 P502	H12-H499 AromaticContact CD2-CE1 3.68Å; H12-H499 AromaticContact CD2-ND1 3.68Å; H12-H499 AromaticContact NE2-CE1 3.14Å; H12-H499 PolarHBondContact NE2-CE1 3.11Å; H12-H499 AromaticContact NE2-CG 3.59Å; H12-H499 AromaticContact NE2-ND1 2.92Å; H12-H499 PolarHBondContact NE2-ND1 3.46Å; H12-H499 AromaticContact NE2-NE2 3.89Å; D497-H499 PolarHBondContact O-N 3.12Å; H499-P502 WeakPolarHBondContact O-CD 3.45Å
500	I	41.3	Very low	42.3	Very low	98 Å²	98	99.9 Å²	99.9	50%	0.503	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-30.3	179.5	-60.4	174.7	0	0	0	111.5	L503 K504	I500-L503 PolarHBondContact O-N 3.04Å; I500-K504 PolarHBondContact O-N 2.91Å
501	I	44.2	Very low	42.7	Very low	112 Å²	112	96.5 Å²	96.5	57%	0.574	50%	0.501	S	S	*	.	H	α-helix	trans	-61.6	-45.7	179.4	-60.1	167.3	0	0	0	112.8	D497 L503 M505	D497-I501 WeakPolarHBondContact O-CD1 3.2Å; I501-L503 PolarHBondContact O-N 3.39Å; I501-L503 VanDerWaalsContact O-N 3.1Å; I501-M505 HydrophobicContact CG2-CG 4.47Å; I501-M505 WeakPolarHBondContact O-CB 3.48Å; I501-M505 WeakPolarHBondContact O-CG 3.32Å; I501-M505 PolarHBondContact O-N 2.9Å; I501-M505 VanDerWaalsContact O-N 3.14Å
502	P	48.6	Very low	43.6	Very low	78 Å²	78	99 Å²	99	51%	0.506	50%	0.498	S	S	.	.	H	α-helix	trans	-62	-24	-179.1	-23	34.4	0	0	0	114	I498 H499 L506	I498-P502 WeakPolarHBondContact O-CD 3.31Å; H499-P502 WeakPolarHBondContact O-CD 3.45Å; P502-L506 WeakPolarHBondContact O-CB 3.43Å; P502-L506 PolarHBondContact O-N 3.3Å
503	L	42.8	Very low	44.1	Very low	15 Å²	15	96.2 Å²	96.2	8%	0.079	48%	0.48	C	S	.	.	H	α-helix	trans	-101.2	-36.3	-164.3	-168.1	51.6	0	0	0	112.4	L124 F130 I500 I501 M505 L506 C507	L124-L503 HydrophobicContact CD1-CD1 3.95Å; L124-L503 HydrophobicContact CD1-CD2 3.56Å; L124-L503 HydrophobicContact CD1-CG 4.39Å; F130-L503 HydrophobicContact CB-CD1 4.06Å; F130-L503 HydrophobicContact CB-CD2 3.75Å; F130-L503 HydrophobicContact CB-CG 4.3Å; F130-L503 HydrophobicContact CD1-CD1 3.46Å; F130-L503 VanDerWaalsContact CD1-CD1 3.46Å; F130-L503 HydrophobicContact CD1-CD2 3.34Å; F130-L503 HydrophobicContact CD1-CG 3.24Å; F130-L503 HydrophobicContact CD2-CD2 3.05Å; F130-L503 HydrophobicContact CD2-CG 3.97Å; F130-L503 HydrophobicContact CE1-CB 4.45Å; F130-L503 HydrophobicContact CE1-CD1 3.98Å; F130-L503 HydrophobicContact CE1-CD2 3.54Å; F130-L503 HydrophobicContact CE1-CG 3.29Å; F130-L503 HydrophobicContact CE2-CD2 3.28Å; F130-L503 HydrophobicContact CE2-CG 4.01Å; F130-L503 HydrophobicContact CG-CD1 3.85Å; F130-L503 HydrophobicContact CG-CD2 3.1Å; F130-L503 HydrophobicContact CG-CG 3.61Å; F130-L503 HydrophobicContact CZ-CD2 3.49Å; F130-L503 VanDerWaalsContact CZ-CD2 3.49Å; F130-L503 HydrophobicContact CZ-CG 3.67Å; I500-L503 PolarHBondContact O-N 3.04Å; I501-L503 PolarHBondContact O-N 3.39Å; I501-L503 VanDerWaalsContact O-N 3.1Å; L503-M505 VanDerWaalsContact C-N 3.26Å; L503-L506 HydrophobicContact CD1-CD2 4.09Å; L503-L506 PolarHBondContact O-N 3.12Å; L503-C507 PolarHBondContact O-N 3.5Å; L503-C507 PolarHBondContact O-SG 3.37Å
504	K	45.8	Very low	45	Very low	139 Å²	139	95.3 Å²	95.3	60%	0.604	48%	0.479	S	S	*	.	H	α-helix	trans	-59.1	-41.7	159.9	-170.6	176.1	-178.5	179.9	0	110.5	I500 C507 Q508	I500-K504 PolarHBondContact O-N 2.91Å; K504-C507 PolarHBondContact O-N 3.45Å; K504-Q508 WeakPolarHBondContact O-CB 3.48Å; K504-Q508 WeakPolarHBondContact O-CG 3.19Å; K504-Q508 PolarHBondContact O-N 3.34Å
505	M	47.5	Very low	45.8	Very low	93 Å²	93	90.2 Å²	90.2	46%	0.458	46%	0.458	S	S	.	.	H	α-helix	trans	-65.5	-39.5	173.8	-69.8	-63.5	-70.7	0	0	112.3	I501 L503 Q508 N509	I501-M505 HydrophobicContact CG2-CG 4.47Å; I501-M505 WeakPolarHBondContact O-CB 3.48Å; I501-M505 WeakPolarHBondContact O-CG 3.32Å; I501-M505 PolarHBondContact O-N 2.9Å; I501-M505 VanDerWaalsContact O-N 3.14Å; L503-M505 VanDerWaalsContact C-N 3.26Å; M505-Q508 PolarHBondContact O-N 2.63Å; M505-N509 VanDerWaalsContact O-CB 3.29Å; M505-N509 WeakPolarHBondContact O-CB 3.42Å; M505-N509 PolarHBondContact O-N 3.26Å; M505-N509 PolarHBondContact O-ND2 2.98Å
506	L	45.2	Very low	46.3	Very low	60 Å²	60	87.3 Å²	87.3	31%	0.314	44%	0.441	S	S	.	.	H	α-helix	trans	-62.5	-48.2	174.8	-176.5	64.4	0	0	0	111.8	L137 P502 L503 Q508 N509 M510	L137-L506 HydrophobicContact CD1-CD2 4.13Å; P502-L506 WeakPolarHBondContact O-CB 3.43Å; P502-L506 PolarHBondContact O-N 3.3Å; L503-L506 HydrophobicContact CD1-CD2 4.09Å; L503-L506 PolarHBondContact O-N 3.12Å; L506-Q508 PolarHBondContact O-N 3.06Å; L506-N509 PolarHBondContact O-N 3.23Å; L506-M510 HydrophobicContact CG-SD 4.37Å; L506-M510 VanDerWaalsContact O-CG 3.29Å; L506-M510 WeakPolarHBondContact O-CG 3.38Å; L506-M510 PolarHBondContact O-N 2.94Å
507	C	46.2	Very low	46.9	Very low	45 Å²	45	90.2 Å²	90.2	30%	0.304	44%	0.443	S	S	.	.	H	α-helix	trans	-64.3	-39.5	178.7	-65.2	0	0	0	0	111.9	L503 K504 M510 K511	L503-C507 PolarHBondContact O-N 3.5Å; L503-C507 PolarHBondContact O-SG 3.37Å; K504-C507 PolarHBondContact O-N 3.45Å; C507-M510 PolarHBondContact O-N 3.12Å; C507-K511 PolarHBondContact O-N 3.26Å
508	Q	48.3	Very low	47.5	Very low	83 Å²	83	88.2 Å²	88.2	39%	0.388	44%	0.442	S	S	.	.	H	α-helix	trans	-64.8	-40.3	173.2	-76.4	-176.6	-9.1	0	0	112	K504 M505 L506 K511 R512	K504-Q508 WeakPolarHBondContact O-CB 3.48Å; K504-Q508 WeakPolarHBondContact O-CG 3.19Å; K504-Q508 PolarHBondContact O-N 3.34Å; M505-Q508 PolarHBondContact O-N 2.63Å; L506-Q508 PolarHBondContact O-N 3.06Å; Q508-K511 PolarHBondContact O-N 3.15Å; Q508-R512 WeakPolarHBondContact O-CB 3.45Å; Q508-R512 VanDerWaalsContact O-CG 3.31Å; Q508-R512 WeakPolarHBondContact O-CG 3.28Å; Q508-R512 PolarHBondContact O-N 3.37Å
509	N	48.3	Very low	48.2	Very low	79 Å²	79	84.8 Å²	84.8	42%	0.422	42%	0.422	S	S	.	.	H	α-helix	trans	-65.4	-38.2	174.5	-76.8	-27.2	0	0	0	111.9	M505 L506 R512 Q513	M505-N509 VanDerWaalsContact O-CB 3.29Å; M505-N509 WeakPolarHBondContact O-CB 3.42Å; M505-N509 PolarHBondContact O-N 3.26Å; M505-N509 PolarHBondContact O-ND2 2.98Å; L506-N509 PolarHBondContact O-N 3.23Å; N509-R512 PolarHBondContact O-N 2.62Å; N509-Q513 WeakPolarHBondContact O-CB 3.2Å; N509-Q513 WeakPolarHBondContact O-CG 3.38Å; N509-Q513 PolarHBondContact O-N 2.67Å
510	M	47.3	Very low	48.7	Very low	45 Å²	45	87 Å²	87	22%	0.222	43%	0.428	C	S	.	.	H	α-helix	trans	-65	-47	174.6	-72.4	175	66.2	0	0	112.1	I133 L137 L506 C507 R512 Q513 I514	I133-M510 HydrophobicContact CG2-CE 4.12Å; I133-M510 HydrophobicContact CG2-SD 3.88Å; L137-M510 HydrophobicContact CD1-CE 4.18Å; L137-M510 HydrophobicContact CD1-SD 3.61Å; L137-M510 HydrophobicContact CD2-CE 3.34Å; L137-M510 HydrophobicContact CD2-CG 4.02Å; L137-M510 HydrophobicContact CD2-SD 3.66Å; L137-M510 HydrophobicContact CG-CE 3.7Å; L137-M510 HydrophobicContact CG-SD 3.83Å; L506-M510 HydrophobicContact CG-SD 4.37Å; L506-M510 VanDerWaalsContact O-CG 3.29Å; L506-M510 WeakPolarHBondContact O-CG 3.38Å; L506-M510 PolarHBondContact O-N 2.94Å; C507-M510 PolarHBondContact O-N 3.12Å; M510-R512 VanDerWaalsContact C-N 3.3Å; M510-R512 PolarHBondContact O-N 3.03Å; M510-Q513 PolarHBondContact O-N 3.41Å; M510-Q513 VanDerWaalsContact O-N 3.15Å; M510-I514 WeakPolarHBondContact O-CG1 3.24Å; M510-I514 PolarHBondContact O-N 3.42Å
511	K	49	Very low	49.1	Very low	72 Å²	72	84.3 Å²	84.3	31%	0.313	43%	0.425	S	S	.	.	H	α-helix	trans	-56.5	-47.2	175.3	-171.5	-175.9	-179.9	-170.5	0	110.1	C430 R432 C507 Q508 Q513 I514 V515	C430-K511 PolarHBondContact O-NZ 3.3Å; R432-K511 PolarHBondContact O-NZ 3.4Å; R432-K511 VanDerWaalsContact O-NZ 3.14Å; C507-K511 PolarHBondContact O-N 3.26Å; Q508-K511 PolarHBondContact O-N 3.15Å; K511-Q513 PolarHBondContact O-N 3.43Å; K511-I514 PolarHBondContact O-N 2.87Å; K511-V515 WeakPolarHBondContact O-CB 3.16Å; K511-V515 VanDerWaalsContact O-CG2 3.24Å; K511-V515 WeakPolarHBondContact O-CG2 3.28Å; K511-V515 PolarHBondContact O-N 3.48Å
512	R	49.3	Very low	50.3	Low	138 Å²	138	86.1 Å²	86.1	52%	0.521	42%	0.424	S	S	.	.	H	α-helix	trans	-60.9	-42.1	176.1	-71.9	179.6	-159.5	-112.1	6.6	112.2	Q508 N509 M510 S516	Q508-R512 WeakPolarHBondContact O-CB 3.45Å; Q508-R512 VanDerWaalsContact O-CG 3.31Å; Q508-R512 WeakPolarHBondContact O-CG 3.28Å; Q508-R512 PolarHBondContact O-N 3.37Å; N509-R512 PolarHBondContact O-N 2.62Å; M510-R512 VanDerWaalsContact C-N 3.3Å; M510-R512 PolarHBondContact O-N 3.03Å; R512-S516 WeakPolarHBondContact O-CA 3.21Å; R512-S516 WeakPolarHBondContact O-CB 3.45Å; R512-S516 PolarHBondContact O-N 3.4Å
513	Q	48.3	Very low	50.4	Low	115 Å²	115	84.3 Å²	84.3	54%	0.537	41%	0.41	S	S	.	.	H	α-helix	trans	-69.8	-39.4	179.8	-79.1	-173.7	2.5	0	0	113.6	N509 M510 K511 R517	N509-Q513 WeakPolarHBondContact O-CB 3.2Å; N509-Q513 WeakPolarHBondContact O-CG 3.38Å; N509-Q513 PolarHBondContact O-N 2.67Å; M510-Q513 PolarHBondContact O-N 3.41Å; M510-Q513 VanDerWaalsContact O-N 3.15Å; K511-Q513 PolarHBondContact O-N 3.43Å; Q513-R517 WeakPolarHBondContact O-CB 3.5Å; Q513-R517 VanDerWaalsContact O-CG 3.32Å; Q513-R517 WeakPolarHBondContact O-CG 3.47Å; Q513-R517 PolarHBondContact O-N 2.92Å
514	I	54.5	Low	50.8	Low	113 Å²	113	86 Å²	86	58%	0.579	43%	0.426	S	S	*	.	H	α-helix	trans	-66.9	-48.1	177.4	-67.8	168.4	0	0	0	109.6	M510 K511 S516 R517 A518	M510-I514 WeakPolarHBondContact O-CG1 3.24Å; M510-I514 PolarHBondContact O-N 3.42Å; K511-I514 PolarHBondContact O-N 2.87Å; I514-S516 VanDerWaalsContact C-N 3.34Å; I514-S516 PolarHBondContact O-N 3.23Å; I514-R517 PolarHBondContact O-N 3.32Å; I514-A518 WeakPolarHBondContact O-CB 3.31Å; I514-A518 PolarHBondContact O-N 2.83Å
515	V	52.1	Low	51.5	Low	51 Å²	51	85.9 Å²	85.9	31%	0.309	42%	0.423	S	S	.	.	H	α-helix	trans	-62.6	-42.9	176.9	174.3	0	0	0	0	110.6	K511 R517 A518 F519	K511-V515 WeakPolarHBondContact O-CB 3.16Å; K511-V515 VanDerWaalsContact O-CG2 3.24Å; K511-V515 WeakPolarHBondContact O-CG2 3.28Å; K511-V515 PolarHBondContact O-N 3.48Å; V515-R517 PolarHBondContact O-N 3.43Å; V515-A518 PolarHBondContact O-N 3.05Å; V515-F519 WeakPolarHBondContact O-CB 3.18Å; V515-F519 PolarHBondContact O-N 2.98Å
516	S	50	Low	52.2	Low	44 Å²	44	83.5 Å²	83.5	31%	0.308	42%	0.415	S	S	.	.	H	α-helix	trans	-61.8	-42.9	175.8	170.5	0	0	0	0	112.2	R512 I514 F519 Y520	R512-S516 WeakPolarHBondContact O-CA 3.21Å; R512-S516 WeakPolarHBondContact O-CB 3.45Å; R512-S516 PolarHBondContact O-N 3.4Å; I514-S516 VanDerWaalsContact C-N 3.34Å; I514-S516 PolarHBondContact O-N 3.23Å; S516-F519 PolarHBondContact O-N 2.94Å; S516-Y520 WeakPolarHBondContact O-CB 3.39Å; S516-Y520 WeakPolarHBondContact O-CD2 3.4Å; S516-Y520 PolarHBondContact O-N 3.02Å; S516-Y520 WeakPolarHBondContact OG-CD2 3.44Å; S516-Y520 WeakPolarHBondContact OG-CE2 3.25Å
517	R	53.3	Low	53.1	Low	185 Å²	185	88.6 Å²	88.6	70%	0.698	43%	0.43	S	S	*	.	H	α-helix	trans	-66.2	-44	176.4	-81.5	-176.7	144	102.5	3.2	112.6	Q513 I514 V515 F519 G521	Q513-R517 WeakPolarHBondContact O-CB 3.5Å; Q513-R517 VanDerWaalsContact O-CG 3.32Å; Q513-R517 WeakPolarHBondContact O-CG 3.47Å; Q513-R517 PolarHBondContact O-N 2.92Å; I514-R517 PolarHBondContact O-N 3.32Å; V515-R517 PolarHBondContact O-N 3.43Å; R517-F519 VanDerWaalsContact C-N 3.34Å; R517-G521 PolarHBondContact O-N 2.84Å
518	A	50.2	Low	53.8	Low	67 Å²	67	91.6 Å²	91.6	55%	0.554	44%	0.439	S	S	*	.	H	α-helix	trans	-62.9	-43.8	175.9	0	0	0	0	0	110.9	I514 V515 G521 W522	I514-A518 WeakPolarHBondContact O-CB 3.31Å; I514-A518 PolarHBondContact O-N 2.83Å; V515-A518 PolarHBondContact O-N 3.05Å; A518-G521 PolarHBondContact O-N 2.67Å; A518-W522 WeakPolarHBondContact O-CB 3.24Å; A518-W522 PolarHBondContact O-N 3.29Å
519	F	57.4	Low	54.6	Low	52 Å²	52	90.2 Å²	90.2	23%	0.228	43%	0.434	C	S	.	.	H	α-helix	trans	-64.8	-47.3	177	177.8	-99.2	0	0	0	112.3	L422 V515 S516 R517 G521 W522 L523	L422-F519 HydrophobicContact CD1-CE1 4.46Å; L422-F519 HydrophobicContact CD1-CE2 4.41Å; L422-F519 HydrophobicContact CD1-CZ 3.75Å; V515-F519 WeakPolarHBondContact O-CB 3.18Å; V515-F519 PolarHBondContact O-N 2.98Å; S516-F519 PolarHBondContact O-N 2.94Å; R517-F519 VanDerWaalsContact C-N 3.34Å; F519-G521 VanDerWaalsContact C-N 3.33Å; F519-G521 PolarHBondContact O-N 3.2Å; F519-W522 HydrophobicContact CD2-CE3 4.1Å; F519-W522 HydrophobicContact CD2-CZ3 4.37Å; F519-W522 HydrophobicContact CE2-CE3 4.02Å; F519-W522 AromaticContact CE2-CZ3 3.87Å; F519-W522 HydrophobicContact CE2-CZ3 3.87Å; F519-W522 PolarHBondContact O-N 2.85Å; F519-L523 HydrophobicContact CE1-CD2 4.08Å; F519-L523 HydrophobicContact CZ-CD2 4.46Å; F519-L523 VanDerWaalsContact O-CB 3.24Å; F519-L523 WeakPolarHBondContact O-CB 3.46Å; F519-L523 PolarHBondContact O-N 3.2Å
520	Y	53.1	Low	55.4	Low	142 Å²	142	89.4 Å²	89.4	56%	0.557	44%	0.435	S	S	*	.	H	α-helix	trans	-68.4	-32.4	177.5	-73.1	-54	0	0	0	112.3	S516 L523 A524	S516-Y520 WeakPolarHBondContact O-CB 3.39Å; S516-Y520 WeakPolarHBondContact O-CD2 3.4Å; S516-Y520 PolarHBondContact O-N 3.02Å; S516-Y520 WeakPolarHBondContact OG-CD2 3.44Å; S516-Y520 WeakPolarHBondContact OG-CE2 3.25Å; Y520-L523 HydrophobicContact CD1-CD2 4.26Å; Y520-A524 WeakPolarHBondContact O-CB 3.39Å; Y520-A524 PolarHBondContact O-N 2.99Å
521	G	50.8	Low	56.3	Low	43 Å²	43	90.8 Å²	90.8	44%	0.443	45%	0.446	S	S	.	.	H	α-helix	trans	-64.4	-46.2	170.6	0	0	0	0	0	112	R517 A518 F519 A524 Y525	R517-G521 PolarHBondContact O-N 2.84Å; A518-G521 PolarHBondContact O-N 2.67Å; F519-G521 VanDerWaalsContact C-N 3.33Å; F519-G521 PolarHBondContact O-N 3.2Å; G521-A524 PolarHBondContact O-N 3.31Å; G521-Y525 WeakPolarHBondContact O-CB 3.07Å; G521-Y525 PolarHBondContact O-N 2.8Å
522	W	68	Low	57.2	Low	150 Å²	150	88.1 Å²	88.1	57%	0.568	44%	0.436	S	S	*	.	H	α-helix	trans	-63.9	-43.5	174.1	174.8	77	0	0	0	112.2	A518 F519 A524 Y525 C526	A518-W522 WeakPolarHBondContact O-CB 3.24Å; A518-W522 PolarHBondContact O-N 3.29Å; F519-W522 HydrophobicContact CD2-CE3 4.1Å; F519-W522 HydrophobicContact CD2-CZ3 4.37Å; F519-W522 HydrophobicContact CE2-CE3 4.02Å; F519-W522 AromaticContact CE2-CZ3 3.87Å; F519-W522 HydrophobicContact CE2-CZ3 3.87Å; F519-W522 PolarHBondContact O-N 2.85Å; W522-A524 PolarHBondContact O-N 3.34Å; W522-Y525 CarbonylContact O-C 3.51Å; W522-Y525 WeakPolarHBondContact O-CB 3.33Å; W522-Y525 PolarHBondContact O-N 3.07Å; W522-C526 WeakPolarHBondContact O-CB 3.2Å; W522-C526 PolarHBondContact O-N 3.45Å; W522-C526 PolarHBondContact O-SG 2.81Å
523	L	51.8	Low	58.2	Low	40 Å²	40	84.7 Å²	84.7	21%	0.209	42%	0.423	C	S	.	.	H	α-helix	trans	-64.6	-40.8	177.3	-178.3	64.4	0	0	0	111.5	F519 Y520 Y525 C526 R527	F519-L523 HydrophobicContact CE1-CD2 4.08Å; F519-L523 HydrophobicContact CZ-CD2 4.46Å; F519-L523 VanDerWaalsContact O-CB 3.24Å; F519-L523 WeakPolarHBondContact O-CB 3.46Å; F519-L523 PolarHBondContact O-N 3.2Å; Y520-L523 HydrophobicContact CD1-CD2 4.26Å; L523-Y525 VanDerWaalsContact C-N 3.35Å; L523-C526 PolarHBondContact O-N 3.27Å; L523-R527 WeakPolarHBondContact O-CB 3.39Å; L523-R527 VanDerWaalsContact O-CG 3.29Å; L523-R527 WeakPolarHBondContact O-CG 3.38Å; L523-R527 PolarHBondContact O-N 3.42Å
524	A	51.3	Low	59.4	Low	50 Å²	50	84 Å²	84	41%	0.413	43%	0.426	S	S	.	.	H	α-helix	trans	-62.6	-43	173.2	0	0	0	0	0	110.9	Y520 G521 W522 R527 H528	Y520-A524 WeakPolarHBondContact O-CB 3.39Å; Y520-A524 PolarHBondContact O-N 2.99Å; G521-A524 PolarHBondContact O-N 3.31Å; W522-A524 PolarHBondContact O-N 3.34Å; A524-R527 PolarHBondContact O-N 2.88Å; A524-H528 VanDerWaalsContact O-CB 3.22Å; A524-H528 WeakPolarHBondContact O-CB 3.09Å; A524-H528 PolarHBondContact O-N 3.44Å
525	Y	59.5	Low	60.1	Low	136 Å²	136	84.6 Å²	84.6	53%	0.533	43%	0.426	S	S	.	.	H	α-helix	trans	-60.6	-46.1	173.1	174.6	-102.1	0	0	0	112.3	G521 W522 L523 H528 L529	G521-Y525 WeakPolarHBondContact O-CB 3.07Å; G521-Y525 PolarHBondContact O-N 2.8Å; W522-Y525 CarbonylContact O-C 3.51Å; W522-Y525 WeakPolarHBondContact O-CB 3.33Å; W522-Y525 PolarHBondContact O-N 3.07Å; L523-Y525 VanDerWaalsContact C-N 3.35Å; Y525-H528 PolarHBondContact O-N 3.48Å; Y525-L529 HydrophobicContact CD1-CD1 3.95Å; Y525-L529 HydrophobicContact CE1-CD1 3.29Å; Y525-L529 HydrophobicContact CE1-CG 4.14Å; Y525-L529 HydrophobicContact CE2-CD1 4.06Å; Y525-L529 HydrophobicContact CE2-CG 4.13Å; Y525-L529 WeakPolarHBondContact O-CB 3.42Å; Y525-L529 WeakPolarHBondContact O-CG 3.48Å; Y525-L529 PolarHBondContact O-N 3.14Å
526	C	62.7	Low	61.3	Low	43 Å²	43	82.4 Å²	82.4	29%	0.291	41%	0.413	S	S	.	.	H	α-helix	trans	-63.5	-41.4	176	-70.6	0	0	0	0	112.3	W522 L523 L529 S530	W522-C526 WeakPolarHBondContact O-CB 3.2Å; W522-C526 PolarHBondContact O-N 3.45Å; W522-C526 PolarHBondContact O-SG 2.81Å; L523-C526 PolarHBondContact O-N 3.27Å; C526-L529 PolarHBondContact O-N 3.37Å; C526-S530 VanDerWaalsContact O-CB 3.29Å; C526-S530 WeakPolarHBondContact O-CB 3.41Å; C526-S530 PolarHBondContact O-N 3.45Å
527	R	63.2	Low	62.7	Low	167 Å²	167	82.1 Å²	82.1	63%	0.63	41%	0.411	S	S	*	.	H	α-helix	trans	-65	-41.7	174.4	-77.5	176.2	169.7	174.4	-2.4	111.8	L523 A524 S530 T531	L523-R527 WeakPolarHBondContact O-CB 3.39Å; L523-R527 VanDerWaalsContact O-CG 3.29Å; L523-R527 WeakPolarHBondContact O-CG 3.38Å; L523-R527 PolarHBondContact O-N 3.42Å; A524-R527 PolarHBondContact O-N 2.88Å; R527-S530 PolarHBondContact O-N 3.01Å; R527-T531 WeakPolarHBondContact O-CB 3.34Å; R527-T531 PolarHBondContact O-N 3.17Å; R527-T531 PolarHBondContact O-OG1 2.97Å
528	H	62.1	Low	64	Low	109 Å²	109	77 Å²	77	51%	0.505	41%	0.408	S	S	.	.	H	α-helix	trans	-61.6	-51.4	175.2	178.2	71.6	0	0	0	110.5	A524 Y525 S530 T531 V532	A524-H528 VanDerWaalsContact O-CB 3.22Å; A524-H528 WeakPolarHBondContact O-CB 3.09Å; A524-H528 PolarHBondContact O-N 3.44Å; Y525-H528 PolarHBondContact O-N 3.48Å; H528-S530 VanDerWaalsContact C-N 3.31Å; H528-S530 PolarHBondContact O-N 3.42Å; H528-T531 WeakPolarHBondContact O-CB 3.17Å; H528-T531 PolarHBondContact O-N 2.87Å; H528-T531 VanDerWaalsContact O-N 3.14Å; H528-V532 WeakPolarHBondContact O-CB 3.36Å; H528-V532 VanDerWaalsContact O-CG2 3.29Å; H528-V532 WeakPolarHBondContact O-CG2 3.33Å; H528-V532 PolarHBondContact O-N 2.94Å
529	L	64.8	Low	65.6	Low	54 Å²	54	74.1 Å²	74.1	28%	0.283	38%	0.383	S	S	.	.	H	α-helix	trans	-59.6	-39.1	174.9	-79.7	-177.4	0	0	0	112.7	Y525 C526 R533	Y525-L529 HydrophobicContact CD1-CD1 3.95Å; Y525-L529 HydrophobicContact CE1-CD1 3.29Å; Y525-L529 HydrophobicContact CE1-CG 4.14Å; Y525-L529 HydrophobicContact CE2-CD1 4.06Å; Y525-L529 HydrophobicContact CE2-CG 4.13Å; Y525-L529 WeakPolarHBondContact O-CB 3.42Å; Y525-L529 WeakPolarHBondContact O-CG 3.48Å; Y525-L529 PolarHBondContact O-N 3.14Å; C526-L529 PolarHBondContact O-N 3.37Å; L529-R533 WeakPolarHBondContact O-CB 3.44Å; L529-R533 PolarHBondContact O-N 3.11Å
530	S	65.3	Low	67	Low	62 Å²	62	72 Å²	72	43%	0.434	38%	0.375	S	S	.	.	H	α-helix	trans	-64	-42.5	175.5	-170.9	0	0	0	0	111.3	C526 R527 H528 R533 T534	C526-S530 VanDerWaalsContact O-CB 3.29Å; C526-S530 WeakPolarHBondContact O-CB 3.41Å; C526-S530 PolarHBondContact O-N 3.45Å; R527-S530 PolarHBondContact O-N 3.01Å; H528-S530 VanDerWaalsContact C-N 3.31Å; H528-S530 PolarHBondContact O-N 3.42Å; S530-R533 PolarHBondContact O-N 3.41Å; S530-T534 PolarHBondContact O-N 3.01Å; S530-T534 PolarHBondContact O-OG1 2.94Å
531	T	65.5	Low	68.5	Low	74 Å²	74	67.4 Å²	67.4	45%	0.454	36%	0.361	S	S	.	.	H	α-helix	trans	-66.2	-47.2	177.7	-56.3	0	0	0	0	110.6	R527 H528 R533 T534 H535	R527-T531 WeakPolarHBondContact O-CB 3.34Å; R527-T531 PolarHBondContact O-N 3.17Å; R527-T531 PolarHBondContact O-OG1 2.97Å; H528-T531 WeakPolarHBondContact O-CB 3.17Å; H528-T531 PolarHBondContact O-N 2.87Å; H528-T531 VanDerWaalsContact O-N 3.14Å; T531-R533 VanDerWaalsContact C-N 3.33Å; T531-R533 PolarHBondContact O-N 2.76Å; T531-T534 WeakPolarHBondContact O-CB 3.38Å; T531-T534 PolarHBondContact O-N 3.26Å; T531-H535 PolarHBondContact O-CD2 2.85Å; T531-H535 PolarHBondContact O-N 3.29Å
532	V	67.1	Low	69.9	Low	16 Å²	16	70.7 Å²	70.7	10%	0.097	37%	0.365	C	S	.	.	H	α-helix	trans	-56.7	-46.7	174.3	164.5	0	0	0	0	110.7	H528 T534 H535 L536 I908	H528-V532 WeakPolarHBondContact O-CB 3.36Å; H528-V532 VanDerWaalsContact O-CG2 3.29Å; H528-V532 WeakPolarHBondContact O-CG2 3.33Å; H528-V532 PolarHBondContact O-N 2.94Å; V532-T534 VanDerWaalsContact C-N 3.35Å; V532-T534 PolarHBondContact O-N 3.09Å; V532-H535 PolarHBondContact O-N 3.43Å; V532-L536 HydrophobicContact CG1-CD1 3.62Å; V532-L536 HydrophobicContact CG1-CG 4.11Å; V532-L536 WeakPolarHBondContact O-CB 3.4Å; V532-L536 VanDerWaalsContact O-CG 3.3Å; V532-L536 WeakPolarHBondContact O-CG 3.39Å; V532-L536 PolarHBondContact O-N 3.39Å; V532-I908 HydrophobicContact CB-CD1 4.36Å; V532-I908 HydrophobicContact CG1-CD1 3.6Å; V532-I908 HydrophobicContact CG1-CG1 3.99Å; V532-I908 HydrophobicContact CG1-CG2 3.97Å; V532-I908 HydrophobicContact CG2-CD1 4.07Å; V532-I908 HydrophobicContact CG2-CG1 4.13Å
533	R	72.2	Confident	70.6	Confident	66 Å²	66	69.2 Å²	69.2	25%	0.249	37%	0.368	C	S	.	.	H	α-helix	trans	-61.9	-41.7	178	-171.1	177.7	-67.5	121.3	-6.4	111.6	L529 S530 T531 L536 S537 L1020 M1021 N1023	L529-R533 WeakPolarHBondContact O-CB 3.44Å; L529-R533 PolarHBondContact O-N 3.11Å; S530-R533 PolarHBondContact O-N 3.41Å; T531-R533 VanDerWaalsContact C-N 3.33Å; T531-R533 PolarHBondContact O-N 2.76Å; R533-L536 PolarHBondContact O-N 3.24Å; R533-S537 WeakPolarHBondContact O-CA 3.41Å; R533-S537 WeakPolarHBondContact O-CB 3.35Å; R533-S537 PolarHBondContact O-N 2.93Å; R533-L1020 PolarHBondContact NE-O 3.39Å; R533-L1020 PolarHBondContact NH2-O 3.42Å; R533-M1021 HydrophobicContact CG-CB 4.48Å; R533-M1021 HydrophobicContact CG-CG 4.19Å; R533-N1023 PolarHBondContact NH2-O 3.17Å
534	T	73	Confident	72.2	Confident	99 Å²	99	70.1 Å²	70.1	61%	0.607	37%	0.372	S	S	*	.	H	α-helix	trans	-61.4	-44	174.7	-57.4	0	0	0	0	111.7	S530 T531 V532 S537	S530-T534 PolarHBondContact O-N 3.01Å; S530-T534 PolarHBondContact O-OG1 2.94Å; T531-T534 WeakPolarHBondContact O-CB 3.38Å; T531-T534 PolarHBondContact O-N 3.26Å; V532-T534 VanDerWaalsContact C-N 3.35Å; V532-T534 PolarHBondContact O-N 3.09Å; T534-S537 PolarHBondContact O-N 3.37Å
535	H	69.6	Low	73.9	Confident	126 Å²	126	68.6 Å²	68.6	58%	0.583	36%	0.358	S	S	*	.	H	α-helix	trans	-67.6	-44.5	177.8	-76	-67.1	0	0	0	112.8	T531 V532 S537	T531-H535 PolarHBondContact O-CD2 2.85Å; T531-H535 PolarHBondContact O-N 3.29Å; V532-H535 PolarHBondContact O-N 3.43Å; H535-S537 VanDerWaalsContact C-N 3.27Å; H535-S537 PolarHBondContact O-N 2.9Å
536	L	77.4	Confident	75.1	Confident	6 Å²	6	64.3 Å²	64.3	3%	0.031	35%	0.347	C	S	.	.	H	α-helix	trans	-71.4	-22.5	178	-66.9	-178.4	0	0	0	112.6	V532 R533 A538 M539 L905 I908 V1017	V532-L536 HydrophobicContact CG1-CD1 3.62Å; V532-L536 HydrophobicContact CG1-CG 4.11Å; V532-L536 WeakPolarHBondContact O-CB 3.4Å; V532-L536 VanDerWaalsContact O-CG 3.3Å; V532-L536 WeakPolarHBondContact O-CG 3.39Å; V532-L536 PolarHBondContact O-N 3.39Å; R533-L536 PolarHBondContact O-N 3.24Å; L536-A538 PolarHBondContact O-N 3Å; L536-M539 HydrophobicContact CD2-CG 4.47Å; L536-M539 WeakPolarHBondContact O-CA 3.37Å; L536-M539 WeakPolarHBondContact O-CB 3.26Å; L536-M539 PolarHBondContact O-N 2.97Å; L536-L905 HydrophobicContact CD2-CD2 3.74Å; L536-I908 HydrophobicContact CD1-CD1 4.12Å; L536-I908 HydrophobicContact CD1-CG2 4.19Å; L536-I908 HydrophobicContact CD2-CD1 4.01Å; L536-I908 HydrophobicContact CG-CD1 4.09Å; L536-V1017 HydrophobicContact CB-CG1 3.93Å; L536-V1017 HydrophobicContact CD1-CG1 4.18Å; L536-V1017 HydrophobicContact CD2-CG1 4.37Å; L536-V1017 HydrophobicContact CG-CG1 4.39Å
537	S	77.9	Confident	76.2	Confident	38 Å²	38	65.3 Å²	65.3	27%	0.266	35%	0.353	S	S	.	.	H	α-helix	trans	-63.4	-28.4	179.7	-175.5	0	0	0	0	113.6	R533 T534 H535 M539 H542 M1021	R533-S537 WeakPolarHBondContact O-CA 3.41Å; R533-S537 WeakPolarHBondContact O-CB 3.35Å; R533-S537 PolarHBondContact O-N 2.93Å; T534-S537 PolarHBondContact O-N 3.37Å; H535-S537 VanDerWaalsContact C-N 3.27Å; H535-S537 PolarHBondContact O-N 2.9Å; S537-M539 VanDerWaalsContact C-N 3.27Å; S537-H542 PolarHBondContact OG-CE1 2.91Å; S537-H542 PolarHBondContact OG-NE2 3.12Å; S537-M1021 VanDerWaalsContact CA-CE 3.46Å
538	A	80.7	Confident	77.4	Confident	76 Å²	76	61.6 Å²	61.6	63%	0.628	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-13.9	174.2	0	0	0	0	0	112.6	L536	L536-A538 PolarHBondContact O-N 3Å
539	M	83.6	Confident	78.3	Confident	8 Å²	8	64.8 Å²	64.8	4%	0.039	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-28.8	-172.4	-62.5	-68.9	-62.4	0	0	113.3	L536 S537 N901 L905 S961 H963 L966 F967	L536-M539 HydrophobicContact CD2-CG 4.47Å; L536-M539 WeakPolarHBondContact O-CA 3.37Å; L536-M539 WeakPolarHBondContact O-CB 3.26Å; L536-M539 PolarHBondContact O-N 2.97Å; S537-M539 VanDerWaalsContact C-N 3.27Å; M539-N901 HydrophobicContact CE-CB 4.09Å; M539-N901 HydrophobicContact SD-CB 4.11Å; M539-L905 HydrophobicContact CE-CD1 3.73Å; M539-L905 HydrophobicContact CE-CD2 4.44Å; M539-L905 HydrophobicContact CE-CG 4.21Å; M539-S961 WeakPolarHBondContact O-CB 3.4Å; M539-S961 PolarHBondContact O-OG 2.9Å; M539-H963 HydrophobicContact CE-CB 4.04Å; M539-H963 HydrophobicContact SD-CB 4.48Å; M539-L966 HydrophobicContact CE-CB 4.47Å; M539-L966 HydrophobicContact CE-CD1 3.44Å; M539-L966 VanDerWaalsContact CE-CD1 3.44Å; M539-L966 HydrophobicContact SD-CD1 4.45Å; M539-F967 HydrophobicContact CB-CZ 4.46Å; M539-F967 HydrophobicContact CE-CE2 4.45Å
540	V	87.6	Confident	79	Confident	8 Å²	8	67.2 Å²	67.2	5%	0.048	37%	0.372	C	S	.	.	S	Bend	trans	-132.7	155.2	-176.5	-59.3	0	0	0	0	111.2	F967 V1014 V1017 Q1018 M1021	V540-F967 HydrophobicContact CG1-CE1 4.43Å; V540-F967 HydrophobicContact CG1-CE2 3.99Å; V540-F967 HydrophobicContact CG1-CZ 3.55Å; V540-V1014 HydrophobicContact CB-CG1 4.47Å; V540-V1014 HydrophobicContact CG1-CG1 3.94Å; V540-V1017 HydrophobicContact CG1-CB 4.11Å; V540-V1017 HydrophobicContact CG1-CG1 3.82Å; V540-V1017 HydrophobicContact CG2-CG1 3.85Å; V540-Q1018 HydrophobicContact CB-CG 3.81Å; V540-Q1018 HydrophobicContact CG1-CG 4.39Å; V540-Q1018 HydrophobicContact CG2-CG 3.62Å; V540-M1021 HydrophobicContact CG2-CE 4.12Å; V540-M1021 HydrophobicContact CG2-SD 3.27Å; V540-M1021 WeakPolarHBondContact CG2-SD 3.25Å
541	T	84.9	Confident	79.8	Confident	44 Å²	44	67.6 Å²	67.6	27%	0.27	37%	0.374	S	S	.	.			trans	-76.8	137.1	170.9	55.6	0	0	0	0	109.7	N543 I959 S960 Q1018	T541-N543 VanDerWaalsContact C-N 3.28Å; T541-N543 PolarHBondContact O-N 3.22Å; T541-I959 PolarHBondContact OG1-O 3.26Å; T541-S960 PolarHBondContact N-O 2.86Å; T541-S960 VanDerWaalsContact OG1-C 3.24Å; T541-S960 VanDerWaalsContact OG1-CA 3.26Å; T541-S960 WeakPolarHBondContact OG1-CA 3.46Å; T541-S960 PolarHBondContact OG1-O 3.39Å; T541-Q1018 PolarHBondContact O-NE2 3.47Å
542	H	79.7	Confident	80.9	Confident	112 Å²	112	71 Å²	71	52%	0.519	39%	0.385	S	S	.	.	S	Bend	trans	-66.9	-28.3	179	-61	-83.4	0	0	0	113.7	S537 I544 M1021	S537-H542 PolarHBondContact OG-CE1 2.91Å; S537-H542 PolarHBondContact OG-NE2 3.12Å; H542-I544 PolarHBondContact O-N 3.38Å; H542-M1021 WeakPolarHBondContact CE1-CE 3.38Å; H542-M1021 WeakPolarHBondContact ND1-CE 3.35Å
543	N	82.8	Confident	82.1	Confident	120 Å²	120	70.2 Å²	70.2	64%	0.642	38%	0.38	S	S	*	.	S	Bend	trans	-82.3	116.1	179.1	-170.6	25.5	0	0	0	109.9	T541	T541-N543 VanDerWaalsContact C-N 3.28Å; T541-N543 PolarHBondContact O-N 3.22Å
544	I	85.1	Confident	82.8	Confident	58 Å²	58	70.4 Å²	70.4	30%	0.297	39%	0.392	S	S	.	.			trans	-82.5	115.7	176.6	-56.6	177	0	0	0	108.5	H542 P546 Q1018	H542-I544 PolarHBondContact O-N 3.38Å; I544-P546 WeakPolarHBondContact O-CD 3.24Å; I544-Q1018 HydrophobicContact CD1-CB 4.17Å; I544-Q1018 HydrophobicContact CG1-CB 4.16Å
545	V	86.4	Confident	83.6	Confident	18 Å²	18	68.9 Å²	68.9	11%	0.109	40%	0.396	C	S	.	.			trans	-90.4	111.8	176.7	-179.6	0	0	0	0	109.2	R579 Y583 I959	V545-R579 HydrophobicContact CG1-CB 4.48Å; V545-R579 HydrophobicContact CG1-CG 3.8Å; V545-Y583 PolarHBondContact O-OH 2.96Å; V545-I959 HydrophobicContact CB-CG2 4.01Å; V545-I959 HydrophobicContact CG1-CG2 4.3Å; V545-I959 HydrophobicContact CG2-CG2 4.28Å; V545-I959 WeakPolarHBondContact CG2-O 3.38Å
546	P	85.6	Confident	84.7	Confident	47 Å²	47	63.2 Å²	63.2	31%	0.305	37%	0.371	S	S	.	.			trans	-72.6	148.3	-173.8	29	-36.7	0	0	0	113.6	I544 D548 R549 R579	I544-P546 WeakPolarHBondContact O-CD 3.24Å; P546-D548 WeakPolarHBondContact CB-OD1 3.35Å; P546-R549 HydrophobicContact CG-CB 3.89Å; P546-R549 HydrophobicContact CG-CG 4.42Å; P546-R579 PolarHBondContact O-NH1 3.03Å
547	P	86.9	Confident	85.6	Confident	63 Å²	63	63 Å²	63	41%	0.409	37%	0.37	S	S	.	.	S	Bend	trans	-74.6	-25.4	177.4	29	-34	0	0	0	113.8	A553 R579 Y583	P547-A553 WeakPolarHBondContact O-CB 3.27Å; P547-A553 PolarHBondContact O-N 3.14Å; P547-R579 VanDerWaalsContact C-NH1 3.34Å; P547-R579 PolarHBondContact O-NH1 3.32Å; P547-Y583 HydrophobicContact CB-CD1 3.89Å; P547-Y583 HydrophobicContact CB-CD2 4.21Å; P547-Y583 HydrophobicContact CB-CE1 3.75Å; P547-Y583 HydrophobicContact CB-CE2 4.07Å; P547-Y583 HydrophobicContact CB-CG 4.13Å; P547-Y583 HydrophobicContact CG-CE1 4.45Å
548	D	87	Confident	86.5	Confident	90 Å²	90	62.6 Å²	62.6	48%	0.481	37%	0.367	S	S	.	.	S	Bend	trans	-96	-11.6	-171.7	63.7	-49.1	0	0	0	114	P546 C551	P546-D548 WeakPolarHBondContact CB-OD1 3.35Å; D548-C551 CarbonylContact C-O 3.6Å; D548-C551 CarbonylContact O-C 3.52Å; D548-C551 VanDerWaalsContact O-CA 3.31Å; D548-C551 WeakPolarHBondContact O-CA 3.21Å; D548-C551 PolarHBondContact O-N 2.84Å
549	R	80.6	Confident	87.2	Confident	175 Å²	175	64 Å²	64	66%	0.66	36%	0.359	S	S	*	.	S	Bend	trans	-122	135.9	-177.4	-56.4	-177.1	-175.4	-174.2	-1.3	112	P546 R579	P546-R549 HydrophobicContact CG-CB 3.89Å; P546-R549 HydrophobicContact CG-CG 4.42Å; R549-R579 PolarHBondContact O-NE 3.34Å; R549-R579 PolarHBondContact O-NH1 3.31Å; R549-R579 VanDerWaalsContact O-NH1 3.15Å
550	P	79.3	Confident	87.7	Confident	105 Å²	105	69.1 Å²	69.1	68%	0.682	38%	0.383	S	S	*	.	S	Bend	cis	-72.7	-18.1	3	29.8	-35.9	0	0	0	114.9	E576	P550-E576 WeakPolarHBondContact CD-OE2 3.49Å; P550-E576 WeakPolarHBondContact CG-OE1 3.34Å
551	C	83.4	Confident	87.9	Confident	71 Å²	71	70.2 Å²	70.2	48%	0.48	39%	0.39	S	S	.	.	S	Bend	trans	-148.9	170.2	171.9	60.4	0	0	0	0	109.9	D548 A553 R579	D548-C551 CarbonylContact C-O 3.6Å; D548-C551 CarbonylContact O-C 3.52Å; D548-C551 VanDerWaalsContact O-CA 3.31Å; D548-C551 WeakPolarHBondContact O-CA 3.21Å; D548-C551 PolarHBondContact O-N 2.84Å; C551-A553 PolarHBondContact O-N 3.12Å; C551-R579 PolarHBondContact O-NH1 3.24Å; C551-R579 VanDerWaalsContact O-NH1 3.14Å; C551-R579 PolarHBondContact O-NH2 2.8Å
552	E	88.4	Confident	88.4	Confident	144 Å²	144	68.2 Å²	68.2	67%	0.673	38%	0.377	S	S	*	.			trans	-59.7	122.3	-179.5	-168.5	179.8	-177.9	0	0	111.9	S554	E552-S554 VanDerWaalsContact CG-OG 3.3Å; E552-S554 WeakPolarHBondContact CG-OG 3.25Å; E552-S554 PolarHBondContact OE1-OG 3.33Å
553	A	91.4	Very high	89	Confident	0 Å²	0	65 Å²	65	0%	0	37%	0.367	C	S	.	.			trans	-97.4	-0.4	-178.2	0	0	0	0	0	115	P547 C551 G555 G556 R579 L580 Y583 G584	P547-A553 WeakPolarHBondContact O-CB 3.27Å; P547-A553 PolarHBondContact O-N 3.14Å; C551-A553 PolarHBondContact O-N 3.12Å; A553-G555 PolarHBondContact O-N 3.21Å; A553-G556 PolarHBondContact O-N 3.33Å; A553-R579 VanDerWaalsContact CB-NH1 3.27Å; A553-L580 HydrophobicContact CB-CD2 3.82Å; A553-Y583 HydrophobicContact CB-CD2 3.99Å; A553-Y583 HydrophobicContact CB-CG 4.21Å; A553-G584 PolarHBondContact O-N 3.18Å
554	S	88.4	Confident	89.4	Confident	71 Å²	71	65.8 Å²	65.8	50%	0.497	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.5	-178.7	59.5	0	0	0	0	112.8	E552 G556 G584	E552-S554 VanDerWaalsContact CG-OG 3.3Å; E552-S554 WeakPolarHBondContact CG-OG 3.25Å; E552-S554 PolarHBondContact OE1-OG 3.33Å; S554-G556 VanDerWaalsContact C-N 3.26Å; S554-G556 PolarHBondContact O-N 3.36Å; S554-G584 WeakPolarHBondContact O-CA 3.01Å
555	G	87.9	Confident	89.7	Confident	67 Å²	67	63.4 Å²	63.4	69%	0.691	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-5.4	176.9	0	0	0	0	0	115.4	A553	A553-G555 PolarHBondContact O-N 3.21Å
556	G	94.3	Very high	89.9	Confident	7 Å²	7	66.2 Å²	66.2	7%	0.072	36%	0.364	C	S	.	.			trans	71.8	-166.8	174.2	0	0	0	0	0	114.9	A553 S554 S558 L580 G584 G585	A553-G556 PolarHBondContact O-N 3.33Å; S554-G556 VanDerWaalsContact C-N 3.26Å; S554-G556 PolarHBondContact O-N 3.36Å; G556-S558 PolarHBondContact O-N 3.27Å; G556-L580 WeakPolarHBondContact CA-O 3.23Å; G556-G584 VanDerWaalsContact CA-C 3.46Å; G556-G584 VanDerWaalsContact CA-CA 3.5Å; G556-G585 WeakPolarHBondContact CA-O 3.16Å
557	L	95.9	Very high	90	Very high	2 Å²	2	73 Å²	73	1%	0.01	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-86.9	106.1	174.8	-175.6	64.9	0	0	0	109.8	V561 W562 L577 L580 V581 G585 Q587 I590 V594	L557-V561 HydrophobicContact CD1-CB 4.09Å; L557-V561 HydrophobicContact CD1-CG1 3.76Å; L557-W562 HydrophobicContact CD2-CE3 3.96Å; L557-W562 HydrophobicContact CD2-CZ3 4.48Å; L557-L577 HydrophobicContact CD1-CD2 3.69Å; L557-L580 HydrophobicContact CB-CB 4.46Å; L557-L580 HydrophobicContact CD1-CD1 4.27Å; L557-V581 HydrophobicContact CB-CG2 4.02Å; L557-V581 HydrophobicContact CD2-CG2 4.04Å; L557-G585 PolarHBondContact N-O 3.49Å; L557-Q587 WeakPolarHBondContact O-CB 3.42Å; L557-Q587 PolarHBondContact O-N 3.37Å; L557-Q587 VanDerWaalsContact O-N 3.14Å; L557-I590 HydrophobicContact CD2-CD1 4.27Å; L557-I590 HydrophobicContact CG-CD1 3.98Å; L557-I590 WeakPolarHBondContact O-CD1 3.16Å; L557-V594 HydrophobicContact CD2-CG1 3.96Å; L557-V594 HydrophobicContact CD2-CG2 3.82Å
558	S	95.7	Very high	90	Very high	28 Å²	28	73.5 Å²	73.5	20%	0.196	39%	0.388	C	S	.	.			trans	-87.5	161.8	176.6	89	0	0	0	0	112.9	G556 E560 V561 W562	G556-S558 PolarHBondContact O-N 3.27Å; S558-E560 VanDerWaalsContact CB-OE2 3.26Å; S558-E560 WeakPolarHBondContact CB-OE2 3.42Å; S558-E560 PolarHBondContact O-N 2.91Å; S558-E560 PolarHBondContact OG-N 3.44Å; S558-E560 PolarHBondContact OG-OE2 2.84Å; S558-V561 PolarHBondContact O-N 2.85Å; S558-V561 PolarHBondContact OG-N 2.88Å; S558-W562 PolarHBondContact O-N 3.14Å
559	K	95.8	Very high	89.8	Confident	106 Å²	106	70.7 Å²	70.7	46%	0.461	38%	0.375	S	S	.	.	H	α-helix	trans	-57	-36.2	174.8	-174.5	174.2	-177.6	173.3	0	113	S563 I590	K559-S563 VanDerWaalsContact O-CB 3.28Å; K559-S563 WeakPolarHBondContact O-CB 3.31Å; K559-S563 PolarHBondContact O-N 3.47Å; K559-S563 PolarHBondContact O-OG 2.8Å; K559-I590 HydrophobicContact CB-CG2 3.85Å; K559-I590 HydrophobicContact CD-CG2 4.47Å; K559-I590 HydrophobicContact CG-CG2 3.85Å
560	E	93.8	Very high	89.8	Confident	115 Å²	115	70.8 Å²	70.8	54%	0.537	38%	0.38	S	S	.	.	H	α-helix	trans	-68.7	-42.9	179.4	-58.9	70	-148.2	0	0	111.3	S558 S563 K564	S558-E560 VanDerWaalsContact CB-OE2 3.26Å; S558-E560 WeakPolarHBondContact CB-OE2 3.42Å; S558-E560 PolarHBondContact O-N 2.91Å; S558-E560 PolarHBondContact OG-N 3.44Å; S558-E560 PolarHBondContact OG-OE2 2.84Å; E560-S563 PolarHBondContact O-N 3.27Å; E560-K564 WeakPolarHBondContact O-CG 3.38Å; E560-K564 PolarHBondContact O-N 3.42Å; E560-K564 VanDerWaalsContact O-N 3.09Å
561	V	92.7	Very high	89.8	Confident	32 Å²	32	71.7 Å²	71.7	19%	0.194	38%	0.379	C	S	.	.	H	α-helix	trans	-65.6	-45	177.3	179	0	0	0	0	110.2	L557 S558 S563 K564 Y565 Y572 L577 L580	L557-V561 HydrophobicContact CD1-CB 4.09Å; L557-V561 HydrophobicContact CD1-CG1 3.76Å; S558-V561 PolarHBondContact O-N 2.85Å; S558-V561 PolarHBondContact OG-N 2.88Å; V561-S563 PolarHBondContact O-N 3.31Å; V561-K564 WeakPolarHBondContact O-CB 3.39Å; V561-K564 PolarHBondContact O-N 3.45Å; V561-Y565 PolarHBondContact O-N 2.81Å; V561-Y572 WeakPolarHBondContact CG1-OH 3.27Å; V561-L577 HydrophobicContact CG1-CD2 4.43Å; V561-L580 HydrophobicContact CG1-CD1 3.85Å
562	W	94.7	Very high	89.7	Confident	2 Å²	2	71.8 Å²	71.8	1%	0.008	37%	0.37	C	S	.	.	H	α-helix	trans	-62	-41.5	176.3	-174.2	-117	0	0	0	112.6	L557 S558 K564 Y565 Q566 L577 I590 E593 V594 F597 F604	L557-W562 HydrophobicContact CD2-CE3 3.96Å; L557-W562 HydrophobicContact CD2-CZ3 4.48Å; S558-W562 PolarHBondContact O-N 3.14Å; W562-K564 VanDerWaalsContact C-N 3.3Å; W562-K564 PolarHBondContact O-N 2.98Å; W562-Y565 HydrophobicContact CD2-CD1 4.29Å; W562-Y565 AromaticContact CE3-CD1 3.69Å; W562-Y565 HydrophobicContact CE3-CD1 3.69Å; W562-Y565 HydrophobicContact CE3-CE1 4.44Å; W562-Y565 HydrophobicContact CE3-CG 4.34Å; W562-Y565 AromaticContact CH2-CD1 3.77Å; W562-Y565 HydrophobicContact CH2-CD1 3.77Å; W562-Y565 AromaticContact CH2-CE1 3.73Å; W562-Y565 HydrophobicContact CH2-CE1 3.73Å; W562-Y565 HydrophobicContact CZ2-CD1 4.35Å; W562-Y565 HydrophobicContact CZ2-CE1 4.46Å; W562-Y565 AromaticContact CZ3-CD1 3.41Å; W562-Y565 HydrophobicContact CZ3-CD1 3.41Å; W562-Y565 VanDerWaalsContact CZ3-CD1 3.41Å; W562-Y565 AromaticContact CZ3-CE1 3.72Å; W562-Y565 HydrophobicContact CZ3-CE1 3.72Å; W562-Y565 HydrophobicContact CZ3-CG 4.28Å; W562-Y565 WeakPolarHBondContact O-CB 3.42Å; W562-Y565 PolarHBondContact O-N 3.4Å; W562-Y565 VanDerWaalsContact O-N 3.15Å; W562-Q566 WeakPolarHBondContact O-CG 3.36Å; W562-Q566 PolarHBondContact O-N 3.49Å; W562-L577 HydrophobicContact CZ3-CD1 4.32Å; W562-I590 HydrophobicContact CB-CD1 3.84Å; W562-I590 HydrophobicContact CG-CD1 4.22Å; W562-E593 PolarHBondContact NE1-OE2 3.29Å; W562-E593 VanDerWaalsContact NE1-OE2 3.16Å; W562-V594 HydrophobicContact CD2-CG2 3.7Å; W562-V594 HydrophobicContact CE3-CG2 3.93Å; W562-V594 HydrophobicContact CG-CG2 4.21Å; W562-V594 HydrophobicContact CH2-CG2 4.13Å; W562-V594 HydrophobicContact CZ2-CG2 3.92Å; W562-V594 HydrophobicContact CZ3-CG2 4.14Å; W562-F597 AromaticContact CH2-CD2 3.66Å; W562-F597 HydrophobicContact CH2-CD2 3.66Å; W562-F597 AromaticContact CH2-CE2 3.83Å; W562-F597 HydrophobicContact CH2-CE2 3.83Å; W562-F597 HydrophobicContact CH2-CG 4.1Å; W562-F597 HydrophobicContact CH2-CZ 4.41Å; W562-F597 AromaticContact CZ2-CD2 3.86Å; W562-F597 HydrophobicContact CZ2-CD2 3.86Å; W562-F597 AromaticContact CZ2-CE2 3.7Å; W562-F597 HydrophobicContact CZ2-CE2 3.7Å; W562-F597 HydrophobicContact CZ2-CZ 4.45Å; W562-F604 HydrophobicContact CZ3-CE1 4.44Å
563	S	93.6	Very high	89.6	Confident	43 Å²	43	72.8 Å²	72.8	30%	0.301	37%	0.372	S	S	.	.	H	α-helix	trans	-63.4	-34.8	176.2	-62.6	0	0	0	0	112.5	K559 E560 V561 K567	K559-S563 VanDerWaalsContact O-CB 3.28Å; K559-S563 WeakPolarHBondContact O-CB 3.31Å; K559-S563 PolarHBondContact O-N 3.47Å; K559-S563 PolarHBondContact O-OG 2.8Å; E560-S563 PolarHBondContact O-N 3.27Å; V561-S563 PolarHBondContact O-N 3.31Å; S563-K567 WeakPolarHBondContact O-CG 3.48Å; S563-K567 PolarHBondContact O-N 2.89Å
564	K	91.5	Very high	89.4	Confident	138 Å²	138	77.2 Å²	77.2	60%	0.6	39%	0.393	S	S	*	.	H	α-helix	trans	-65.9	-44.4	172.9	-72.2	171.5	-176.2	175.3	0	110.9	E560 V561 W562 Q566 K567 D568	E560-K564 WeakPolarHBondContact O-CG 3.38Å; E560-K564 PolarHBondContact O-N 3.42Å; E560-K564 VanDerWaalsContact O-N 3.09Å; V561-K564 WeakPolarHBondContact O-CB 3.39Å; V561-K564 PolarHBondContact O-N 3.45Å; W562-K564 VanDerWaalsContact C-N 3.3Å; W562-K564 PolarHBondContact O-N 2.98Å; K564-Q566 PolarHBondContact O-N 3.35Å; K564-K567 PolarHBondContact O-N 3.18Å; K564-D568 PolarHBondContact O-N 2.81Å
565	Y	90.6	Very high	89.5	Confident	8 Å²	8	78 Å²	78	3%	0.031	39%	0.391	C	S	.	.	H	α-helix	trans	-57.2	-47.3	174.5	168.6	-106.9	0	0	0	112.1	V561 W562 K567 D568 C569 Y572 L577 F604 G605	V561-Y565 PolarHBondContact O-N 2.81Å; W562-Y565 HydrophobicContact CD2-CD1 4.29Å; W562-Y565 AromaticContact CE3-CD1 3.69Å; W562-Y565 HydrophobicContact CE3-CD1 3.69Å; W562-Y565 HydrophobicContact CE3-CE1 4.44Å; W562-Y565 HydrophobicContact CE3-CG 4.34Å; W562-Y565 AromaticContact CH2-CD1 3.77Å; W562-Y565 HydrophobicContact CH2-CD1 3.77Å; W562-Y565 AromaticContact CH2-CE1 3.73Å; W562-Y565 HydrophobicContact CH2-CE1 3.73Å; W562-Y565 HydrophobicContact CZ2-CD1 4.35Å; W562-Y565 HydrophobicContact CZ2-CE1 4.46Å; W562-Y565 AromaticContact CZ3-CD1 3.41Å; W562-Y565 HydrophobicContact CZ3-CD1 3.41Å; W562-Y565 VanDerWaalsContact CZ3-CD1 3.41Å; W562-Y565 AromaticContact CZ3-CE1 3.72Å; W562-Y565 HydrophobicContact CZ3-CE1 3.72Å; W562-Y565 HydrophobicContact CZ3-CG 4.28Å; W562-Y565 WeakPolarHBondContact O-CB 3.42Å; W562-Y565 PolarHBondContact O-N 3.4Å; W562-Y565 VanDerWaalsContact O-N 3.15Å; Y565-K567 PolarHBondContact O-N 3.01Å; Y565-D568 CarbonylContact O-C 3.18Å; Y565-D568 PolarHBondContact O-N 3.41Å; Y565-D568 VanDerWaalsContact O-N 3.11Å; Y565-C569 HydrophobicContact CE2-CB 4.09Å; Y565-C569 VanDerWaalsContact O-CA 3.23Å; Y565-C569 WeakPolarHBondContact O-CA 3.27Å; Y565-C569 PolarHBondContact O-N 3.28Å; Y565-Y572 VanDerWaalsContact CD2-CB 3.47Å; Y565-Y572 HydrophobicContact CD2-CD1 4.12Å; Y565-Y572 HydrophobicContact CD2-CD2 4.35Å; Y565-Y572 AromaticContact CD2-CG 3.73Å; Y565-Y572 HydrophobicContact CD2-CG 3.73Å; Y565-L577 HydrophobicContact CD1-CD1 4.26Å; Y565-L577 HydrophobicContact CD2-CD1 3.64Å; Y565-L577 HydrophobicContact CE1-CD1 4.45Å; Y565-L577 HydrophobicContact CE2-CD1 3.84Å; Y565-L577 HydrophobicContact CG-CD1 3.85Å; Y565-F604 HydrophobicContact CE1-CD1 4.4Å; Y565-F604 AromaticContact CZ-CD1 3.91Å; Y565-F604 WeakPolarHBondContact OH-CA 3.31Å; Y565-F604 WeakPolarHBondContact OH-CD1 3.22Å; Y565-G605 PolarHBondContact OH-N 3.04Å
566	Q	89.9	Confident	89.7	Confident	77 Å²	77	76.2 Å²	76.2	36%	0.36	37%	0.365	S	S	.	.	H	α-helix	trans	-61.9	-28.6	-179.7	-72.9	-177.7	-22.1	0	0	113.6	W562 K564 E593	W562-Q566 WeakPolarHBondContact O-CG 3.36Å; W562-Q566 PolarHBondContact O-N 3.49Å; K564-Q566 PolarHBondContact O-N 3.35Å; Q566-E593 PolarHBondContact NE2-OE2 3.07Å
567	K	88.6	Confident	89.7	Confident	190 Å²	190	76 Å²	76	83%	0.826	36%	0.362	S	S	*	.	H	α-helix	trans	-75.5	-33.9	176	-72.4	175.8	-178	179.6	0	112.6	S563 K564 Y565	S563-K567 WeakPolarHBondContact O-CG 3.48Å; S563-K567 PolarHBondContact O-N 2.89Å; K564-K567 PolarHBondContact O-N 3.18Å; Y565-K567 PolarHBondContact O-N 3.01Å
568	D	86.1	Confident	89.6	Confident	73 Å²	73	76.4 Å²	76.4	39%	0.39	36%	0.364	S	S	.	.	S	Bend	trans	-133.5	61.2	-177.8	-166.9	4.6	0	0	0	112.3	K564 Y565 K570 N571 Y572	K564-D568 PolarHBondContact O-N 2.81Å; Y565-D568 CarbonylContact O-C 3.18Å; Y565-D568 PolarHBondContact O-N 3.41Å; Y565-D568 VanDerWaalsContact O-N 3.11Å; D568-K570 PolarHBondContact O-N 2.93Å; D568-K570 VanDerWaalsContact O-N 3.17Å; D568-N571 VanDerWaalsContact CG-ND2 3.28Å; D568-N571 PolarHBondContact O-N 2.93Å; D568-N571 PolarHBondContact OD1-ND2 3.46Å; D568-N571 WeakPolarHBondContact OD2-CB 3.37Å; D568-N571 PolarHBondContact OD2-ND2 2.57Å; D568-Y572 PolarHBondContact O-N 3.09Å
569	C	82.6	Confident	89.6	Confident	31 Å²	31	75.3 Å²	75.3	21%	0.209	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-16.3	-171.5	64	0	0	0	0	114.2	Y565 G605	Y565-C569 HydrophobicContact CE2-CB 4.09Å; Y565-C569 VanDerWaalsContact O-CA 3.23Å; Y565-C569 WeakPolarHBondContact O-CA 3.27Å; Y565-C569 PolarHBondContact O-N 3.28Å; C569-G605 WeakPolarHBondContact O-CA 3.23Å
570	K	80.6	Confident	89.6	Confident	177 Å²	177	70.8 Å²	70.8	77%	0.77	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-30.1	-178.8	-69.3	-172.9	178.4	-178	0	113.6	D568	D568-K570 PolarHBondContact O-N 2.93Å; D568-K570 VanDerWaalsContact O-N 3.17Å
571	N	80.1	Confident	89.7	Confident	123 Å²	123	65.3 Å²	65.3	66%	0.658	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-11.7	-175.7	-61.8	-37.3	0	0	0	113.2	D568	D568-N571 VanDerWaalsContact CG-ND2 3.28Å; D568-N571 PolarHBondContact O-N 2.93Å; D568-N571 PolarHBondContact OD1-ND2 3.46Å; D568-N571 WeakPolarHBondContact OD2-CB 3.37Å; D568-N571 PolarHBondContact OD2-ND2 2.57Å
572	Y	81.1	Confident	89.9	Confident	74 Å²	74	64 Å²	64	29%	0.29	30%	0.303	S	S	.	.	S	Bend	trans	-74.7	138.9	179.2	-143.1	-85.4	0	0	0	111.9	V561 Y565 D568 E574 E576 L577	V561-Y572 WeakPolarHBondContact CG1-OH 3.27Å; Y565-Y572 VanDerWaalsContact CD2-CB 3.47Å; Y565-Y572 HydrophobicContact CD2-CD1 4.12Å; Y565-Y572 HydrophobicContact CD2-CD2 4.35Å; Y565-Y572 AromaticContact CD2-CG 3.73Å; Y565-Y572 HydrophobicContact CD2-CG 3.73Å; D568-Y572 PolarHBondContact O-N 3.09Å; Y572-E574 PolarHBondContact O-N 3Å; Y572-E576 HydrophobicContact CE1-CB 4.43Å; Y572-E576 HydrophobicContact CE1-CG 4.36Å; Y572-L577 HydrophobicContact CD1-CD1 3.97Å; Y572-L577 HydrophobicContact CD1-CD2 3.95Å; Y572-L577 HydrophobicContact CD1-CG 3.7Å; Y572-L577 HydrophobicContact CE1-CD1 4.32Å; Y572-L577 HydrophobicContact CE1-CD2 3.44Å; Y572-L577 VanDerWaalsContact CE1-CD2 3.44Å; Y572-L577 HydrophobicContact CE1-CG 3.6Å
573	K	85.5	Confident	90	Very high	165 Å²	165	66.3 Å²	66.3	72%	0.717	31%	0.311	S	S	*	.			trans	-79.7	114.5	177.5	-64.9	-178.4	-178.7	178.6	0	109.8	L575 E576	K573-L575 VanDerWaalsContact C-N 3.28Å; K573-L575 PolarHBondContact O-N 2.7Å; K573-E576 HydrophobicContact CB-CB 4.21Å; K573-E576 WeakPolarHBondContact O-CB 3.48Å; K573-E576 PolarHBondContact O-N 3.26Å
574	E	89.1	Confident	90	Very high	92 Å²	92	65.9 Å²	65.9	43%	0.43	31%	0.314	S	S	.	.	H	α-helix	trans	-51.1	-47	177.4	178.6	-179.8	160.2	0	0	112.2	Y572 E576 L577 L578 F604	Y572-E574 PolarHBondContact O-N 3Å; E574-E576 PolarHBondContact O-N 3.46Å; E574-E576 VanDerWaalsContact O-N 3.12Å; E574-L577 PolarHBondContact O-N 3.08Å; E574-L578 HydrophobicContact CG-CD1 4.13Å; E574-L578 HydrophobicContact CG-CG 4.38Å; E574-L578 WeakPolarHBondContact O-CG 3.24Å; E574-L578 PolarHBondContact O-N 3.38Å; E574-L578 VanDerWaalsContact O-N 3.14Å; E574-F604 HydrophobicContact CB-CB 4.5Å; E574-F604 HydrophobicContact CG-CB 4.18Å; E574-F604 HydrophobicContact CG-CD2 3.65Å; E574-F604 HydrophobicContact CG-CE2 4.14Å; E574-F604 HydrophobicContact CG-CG 3.87Å
575	L	90.6	Very high	90.2	Very high	89 Å²	89	59.7 Å²	59.7	47%	0.466	29%	0.29	S	S	.	.	H	α-helix	trans	-57.7	-29.9	-179.5	-166	69.9	0	0	0	112.9	K573 R579 I959	K573-L575 VanDerWaalsContact C-N 3.28Å; K573-L575 PolarHBondContact O-N 2.7Å; L575-R579 VanDerWaalsContact O-CB 3.29Å; L575-R579 WeakPolarHBondContact O-CB 3.46Å; L575-R579 PolarHBondContact O-N 2.7Å; L575-I959 HydrophobicContact CD1-CD1 3.68Å; L575-I959 HydrophobicContact CG-CD1 4.29Å
576	E	91.6	Very high	90.5	Very high	29 Å²	29	59.7 Å²	59.7	14%	0.136	29%	0.29	C	S	.	.	H	α-helix	trans	-71.5	-39.7	178.4	-179.2	58.6	-169.3	0	0	112	P550 Y572 K573 E574 R579 L580	P550-E576 WeakPolarHBondContact CD-OE2 3.49Å; P550-E576 WeakPolarHBondContact CG-OE1 3.34Å; Y572-E576 HydrophobicContact CE1-CB 4.43Å; Y572-E576 HydrophobicContact CE1-CG 4.36Å; K573-E576 HydrophobicContact CB-CB 4.21Å; K573-E576 WeakPolarHBondContact O-CB 3.48Å; K573-E576 PolarHBondContact O-N 3.26Å; E574-E576 PolarHBondContact O-N 3.46Å; E574-E576 VanDerWaalsContact O-N 3.12Å; E576-R579 WeakPolarHBondContact O-CB 3.34Å; E576-R579 PolarHBondContact O-N 3.43Å; E576-R579 IonicContact OE1-CZ 3.08Å; E576-R579 IonicContact OE1-NE 2.98Å; E576-R579 PolarHBondContact OE1-NE 3.04Å; E576-R579 IonicContact OE1-NH2 2.63Å; E576-R579 PolarHBondContact OE1-NH2 3.46Å; E576-R579 IonicContact OE2-CZ 2.68Å; E576-R579 IonicContact OE2-NE 3.23Å; E576-R579 PolarHBondContact OE2-NE 3.39Å; E576-R579 IonicContact OE2-NH2 3.24Å; E576-L580 WeakPolarHBondContact O-CG 3.31Å; E576-L580 PolarHBondContact O-N 2.85Å
577	L	93.1	Very high	90.8	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-64.1	-46.1	174.7	-65.6	172.1	0	0	0	110.4	L557 V561 W562 Y565 Y572 E574 R579 L580 V581 F604	L557-L577 HydrophobicContact CD1-CD2 3.69Å; V561-L577 HydrophobicContact CG1-CD2 4.43Å; W562-L577 HydrophobicContact CZ3-CD1 4.32Å; Y565-L577 HydrophobicContact CD1-CD1 4.26Å; Y565-L577 HydrophobicContact CD2-CD1 3.64Å; Y565-L577 HydrophobicContact CE1-CD1 4.45Å; Y565-L577 HydrophobicContact CE2-CD1 3.84Å; Y565-L577 HydrophobicContact CG-CD1 3.85Å; Y572-L577 HydrophobicContact CD1-CD1 3.97Å; Y572-L577 HydrophobicContact CD1-CD2 3.95Å; Y572-L577 HydrophobicContact CD1-CG 3.7Å; Y572-L577 HydrophobicContact CE1-CD1 4.32Å; Y572-L577 HydrophobicContact CE1-CD2 3.44Å; Y572-L577 VanDerWaalsContact CE1-CD2 3.44Å; Y572-L577 HydrophobicContact CE1-CG 3.6Å; E574-L577 PolarHBondContact O-N 3.08Å; L577-R579 VanDerWaalsContact C-N 3.25Å; L577-R579 PolarHBondContact O-N 3.4Å; L577-L580 PolarHBondContact O-N 2.9Å; L577-V581 WeakPolarHBondContact O-CG2 3.47Å; L577-V581 PolarHBondContact O-N 3.37Å; L577-F604 HydrophobicContact CD1-CD1 3.99Å; L577-F604 HydrophobicContact CD1-CE1 3.84Å
578	L	95	Very high	91.2	Very high	10 Å²	10	54.7 Å²	54.7	5%	0.052	27%	0.27	C	S	.	.	H	α-helix	trans	-61.9	-35.3	177.8	-59.5	-177.1	0	0	0	111.8	E574 V581 Y582 L598 F604 V955 R958 I959	E574-L578 HydrophobicContact CG-CD1 4.13Å; E574-L578 HydrophobicContact CG-CG 4.38Å; E574-L578 WeakPolarHBondContact O-CG 3.24Å; E574-L578 PolarHBondContact O-N 3.38Å; E574-L578 VanDerWaalsContact O-N 3.14Å; L578-V581 PolarHBondContact O-N 3.44Å; L578-Y582 WeakPolarHBondContact O-CB 3.43Å; L578-Y582 PolarHBondContact O-N 3.12Å; L578-L598 HydrophobicContact CD2-CD2 3.88Å; L578-F604 HydrophobicContact CD2-CE2 4.12Å; L578-F604 HydrophobicContact CD2-CZ 4.03Å; L578-V955 HydrophobicContact CB-CB 4.29Å; L578-V955 HydrophobicContact CB-CG1 4.46Å; L578-V955 HydrophobicContact CD2-CB 4.29Å; L578-V955 HydrophobicContact CD2-CG1 3.7Å; L578-R958 HydrophobicContact CD1-CB 3.9Å; L578-R958 HydrophobicContact CD1-CG 3.99Å; L578-I959 HydrophobicContact CB-CD1 3.93Å; L578-I959 HydrophobicContact CB-CG1 4.25Å
579	R	95.1	Very high	91.7	Very high	5 Å²	5	56.8 Å²	56.8	2%	0.019	28%	0.277	C	S	.	.	H	α-helix	trans	-64.4	-46.1	175	-172.7	-173	76.7	85.3	7.8	112	V545 P546 P547 R549 C551 A553 L575 E576 L577 V581 Y582 Y583 I959	V545-R579 HydrophobicContact CG1-CB 4.48Å; V545-R579 HydrophobicContact CG1-CG 3.8Å; P546-R579 PolarHBondContact O-NH1 3.03Å; P547-R579 VanDerWaalsContact C-NH1 3.34Å; P547-R579 PolarHBondContact O-NH1 3.32Å; R549-R579 PolarHBondContact O-NE 3.34Å; R549-R579 PolarHBondContact O-NH1 3.31Å; R549-R579 VanDerWaalsContact O-NH1 3.15Å; C551-R579 PolarHBondContact O-NH1 3.24Å; C551-R579 VanDerWaalsContact O-NH1 3.14Å; C551-R579 PolarHBondContact O-NH2 2.8Å; A553-R579 VanDerWaalsContact CB-NH1 3.27Å; L575-R579 VanDerWaalsContact O-CB 3.29Å; L575-R579 WeakPolarHBondContact O-CB 3.46Å; L575-R579 PolarHBondContact O-N 2.7Å; E576-R579 WeakPolarHBondContact O-CB 3.34Å; E576-R579 PolarHBondContact O-N 3.43Å; E576-R579 IonicContact OE1-CZ 3.08Å; E576-R579 IonicContact OE1-NE 2.98Å; E576-R579 PolarHBondContact OE1-NE 3.04Å; E576-R579 IonicContact OE1-NH2 2.63Å; E576-R579 PolarHBondContact OE1-NH2 3.46Å; E576-R579 IonicContact OE2-CZ 2.68Å; E576-R579 IonicContact OE2-NE 3.23Å; E576-R579 PolarHBondContact OE2-NE 3.39Å; E576-R579 IonicContact OE2-NH2 3.24Å; L577-R579 VanDerWaalsContact C-N 3.25Å; L577-R579 PolarHBondContact O-N 3.4Å; R579-V581 VanDerWaalsContact C-N 3.34Å; R579-V581 PolarHBondContact O-N 3.46Å; R579-Y582 PolarHBondContact O-N 2.71Å; R579-Y583 HydrophobicContact CG-CD2 3.93Å; R579-Y583 HydrophobicContact CG-CE2 4.03Å; R579-Y583 WeakPolarHBondContact O-CD2 3.27Å; R579-Y583 PolarHBondContact O-N 2.84Å; R579-I959 HydrophobicContact CB-CD1 4.3Å
580	L	95.7	Very high	92.4	Very high	11 Å²	11	55.3 Å²	55.3	6%	0.058	27%	0.267	C	S	.	.	H	α-helix	trans	-59.2	-46.5	175.8	-68.2	174.5	0	0	0	111	A553 G556 L557 V561 E576 L577 Y582 Y583 G584	A553-L580 HydrophobicContact CB-CD2 3.82Å; G556-L580 WeakPolarHBondContact CA-O 3.23Å; L557-L580 HydrophobicContact CB-CB 4.46Å; L557-L580 HydrophobicContact CD1-CD1 4.27Å; V561-L580 HydrophobicContact CG1-CD1 3.85Å; E576-L580 WeakPolarHBondContact O-CG 3.31Å; E576-L580 PolarHBondContact O-N 2.85Å; L577-L580 PolarHBondContact O-N 2.9Å; L580-Y582 VanDerWaalsContact C-N 3.34Å; L580-Y582 PolarHBondContact O-N 3.45Å; L580-Y583 PolarHBondContact O-N 3.04Å; L580-G584 PolarHBondContact O-N 3.13Å
581	V	97	Very high	93.2	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-41.7	176.8	176.5	0	0	0	0	111.8	L557 L577 L578 R579 Y583 G585 V586 L598 E951 V955	L557-V581 HydrophobicContact CB-CG2 4.02Å; L557-V581 HydrophobicContact CD2-CG2 4.04Å; L577-V581 WeakPolarHBondContact O-CG2 3.47Å; L577-V581 PolarHBondContact O-N 3.37Å; L578-V581 PolarHBondContact O-N 3.44Å; R579-V581 VanDerWaalsContact C-N 3.34Å; R579-V581 PolarHBondContact O-N 3.46Å; V581-Y583 PolarHBondContact O-N 2.91Å; V581-G585 WeakPolarHBondContact O-CA 3.24Å; V581-G585 PolarHBondContact O-N 3.17Å; V581-V586 HydrophobicContact CB-CG2 4.45Å; V581-V586 HydrophobicContact CG1-CG2 3.93Å; V581-V586 HydrophobicContact CG2-CG2 3.76Å; V581-L598 HydrophobicContact CG1-CD1 4.12Å; V581-E951 HydrophobicContact CG1-CB 3.93Å; V581-V955 HydrophobicContact CB-CG1 4.1Å; V581-V955 HydrophobicContact CB-CG2 4.39Å; V581-V955 HydrophobicContact CG1-CG1 3.74Å; V581-V955 HydrophobicContact CG1-CG2 4.08Å
582	Y	96.8	Very high	94	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.016	22%	0.223	C	C	.	.	H	α-helix	trans	-63.9	-37.3	-178.5	-179.2	-101.7	0	0	0	113.8	L578 R579 L580 V952 V955 A956 I959 S960 F964 R1011	L578-Y582 WeakPolarHBondContact O-CB 3.43Å; L578-Y582 PolarHBondContact O-N 3.12Å; R579-Y582 PolarHBondContact O-N 2.71Å; L580-Y582 VanDerWaalsContact C-N 3.34Å; L580-Y582 PolarHBondContact O-N 3.45Å; Y582-V952 HydrophobicContact CD2-CG1 3.75Å; Y582-V952 HydrophobicContact CE2-CG1 3.9Å; Y582-V955 HydrophobicContact CD2-CG2 4.08Å; Y582-V955 HydrophobicContact CG-CG2 4.4Å; Y582-A956 HydrophobicContact CD2-CB 4.16Å; Y582-A956 HydrophobicContact CE2-CB 3.84Å; Y582-I959 HydrophobicContact CD1-CG2 3.67Å; Y582-I959 HydrophobicContact CD2-CB 4.27Å; Y582-I959 HydrophobicContact CD2-CG2 4.23Å; Y582-I959 HydrophobicContact CE1-CG2 4.02Å; Y582-I959 HydrophobicContact CG-CB 4.18Å; Y582-I959 HydrophobicContact CG-CG1 4.46Å; Y582-I959 HydrophobicContact CG-CG2 3.76Å; Y582-S960 WeakPolarHBondContact CE2-OG 3.38Å; Y582-S960 WeakPolarHBondContact OH-CB 3.31Å; Y582-S960 PolarHBondContact OH-OG 3.5Å; Y582-F964 HydrophobicContact CE2-CD2 4.27Å; Y582-F964 AromaticContact CE2-CE2 3.94Å; Y582-F964 HydrophobicContact CE2-CE2 3.94Å; Y582-F964 HydrophobicContact CE2-CZ 4.29Å; Y582-F964 WeakPolarHBondContact OH-CE2 3.43Å; Y582-R1011 HydrophobicContact CE1-CG 3.88Å; Y582-R1011 PolarHBondContact O-NH1 3.16Å; Y582-R1011 WeakPolarHBondContact OH-CG 3.35Å
583	Y	95.4	Very high	94.7	Very high	50 Å²	50	47 Å²	47	20%	0.196	23%	0.227	C	C	.	.	H	α-helix	trans	-94.3	-33.4	-174.8	-76.8	-65.9	0	0	0	114.1	V545 P547 A553 R579 L580 V581	V545-Y583 PolarHBondContact O-OH 2.96Å; P547-Y583 HydrophobicContact CB-CD1 3.89Å; P547-Y583 HydrophobicContact CB-CD2 4.21Å; P547-Y583 HydrophobicContact CB-CE1 3.75Å; P547-Y583 HydrophobicContact CB-CE2 4.07Å; P547-Y583 HydrophobicContact CB-CG 4.13Å; P547-Y583 HydrophobicContact CG-CE1 4.45Å; A553-Y583 HydrophobicContact CB-CD2 3.99Å; A553-Y583 HydrophobicContact CB-CG 4.21Å; R579-Y583 HydrophobicContact CG-CD2 3.93Å; R579-Y583 HydrophobicContact CG-CE2 4.03Å; R579-Y583 WeakPolarHBondContact O-CD2 3.27Å; R579-Y583 PolarHBondContact O-N 2.84Å; L580-Y583 PolarHBondContact O-N 3.04Å; V581-Y583 PolarHBondContact O-N 2.91Å
584	G	93.3	Very high	95.3	Very high	34 Å²	34	39.2 Å²	39.2	35%	0.351	19%	0.194	S	C	.	.	H	α-helix	trans	-129.9	4.3	-176.3	0	0	0	0	0	115.6	A553 S554 G556 L580	A553-G584 PolarHBondContact O-N 3.18Å; S554-G584 WeakPolarHBondContact O-CA 3.01Å; G556-G584 VanDerWaalsContact CA-C 3.46Å; G556-G584 VanDerWaalsContact CA-CA 3.5Å; L580-G584 PolarHBondContact O-N 3.13Å
585	G	95.9	Very high	95.7	Very high	9 Å²	9	34.8 Å²	34.8	9%	0.093	17%	0.173	C	C	.	.			trans	72.1	-167.5	178.3	0	0	0	0	0	113.9	G556 L557 V581	G556-G585 WeakPolarHBondContact CA-O 3.16Å; L557-G585 PolarHBondContact N-O 3.49Å; V581-G585 WeakPolarHBondContact O-CA 3.24Å; V581-G585 PolarHBondContact O-N 3.17Å
586	V	97.9	Very high	96	Very high	7 Å²	7	30.6 Å²	30.6	4%	0.042	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-110.9	133.6	176.5	-173.8	0	0	0	0	109.7	V581 H588 I590 R591 V594 L598 E951	V581-V586 HydrophobicContact CB-CG2 4.45Å; V581-V586 HydrophobicContact CG1-CG2 3.93Å; V581-V586 HydrophobicContact CG2-CG2 3.76Å; V586-H588 PolarHBondContact O-N 3.31Å; V586-I590 HydrophobicContact CG1-CD1 3.96Å; V586-I590 HydrophobicContact CG1-CG1 3.61Å; V586-R591 HydrophobicContact CB-CG 4.18Å; V586-R591 HydrophobicContact CG1-CG 3.95Å; V586-R591 PolarHBondContact O-NE 3.48Å; V586-R591 PolarHBondContact O-NH2 2.91Å; V586-V594 HydrophobicContact CG1-CB 4.09Å; V586-V594 HydrophobicContact CG1-CG1 4.19Å; V586-V594 HydrophobicContact CG1-CG2 4.13Å; V586-V594 HydrophobicContact CG2-CG1 3.99Å; V586-L598 HydrophobicContact CG2-CD1 4.33Å; V586-E951 HydrophobicContact CB-CG 4.42Å; V586-E951 WeakPolarHBondContact CB-OE1 3.48Å; V586-E951 WeakPolarHBondContact CB-OE2 3.43Å; V586-E951 HydrophobicContact CG2-CB 4.49Å; V586-E951 HydrophobicContact CG2-CG 3.93Å; V586-E951 PolarHBondContact N-OE2 3.11Å
587	Q	96.8	Very high	96.3	Very high	74 Å²	74	30 Å²	30	35%	0.346	15%	0.148	S	C	.	.			trans	-61	134.5	173.1	-162.5	-169.1	-20.2	0	0	111	L557 E589 I590	L557-Q587 WeakPolarHBondContact O-CB 3.42Å; L557-Q587 PolarHBondContact O-N 3.37Å; L557-Q587 VanDerWaalsContact O-N 3.14Å; Q587-E589 VanDerWaalsContact C-N 3.29Å; Q587-E589 VanDerWaalsContact CD-OE2 3.31Å; Q587-E589 VanDerWaalsContact CG-OE2 3.23Å; Q587-E589 WeakPolarHBondContact CG-OE2 3.04Å; Q587-E589 PolarHBondContact NE2-OE2 3.3Å; Q587-E589 PolarHBondContact O-N 3.41Å; Q587-E589 VanDerWaalsContact O-N 3.13Å; Q587-I590 HydrophobicContact CB-CD1 4.49Å; Q587-I590 HydrophobicContact CB-CG1 4.22Å; Q587-I590 VanDerWaalsContact O-CG1 3.23Å; Q587-I590 WeakPolarHBondContact O-CG1 3.1Å; Q587-I590 PolarHBondContact O-N 3.27Å; Q587-I590 VanDerWaalsContact O-N 3.1Å
588	H	95.7	Very high	96.5	Very high	88 Å²	88	31.1 Å²	31.1	41%	0.407	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-51.6	-43.8	-169.7	-176.5	103	0	0	0	113.2	V586 I590 R591 E944	V586-H588 PolarHBondContact O-N 3.31Å; H588-I590 PolarHBondContact O-N 3.32Å; H588-I590 VanDerWaalsContact O-N 3.14Å; H588-R591 PolarHBondContact ND1-NH1 3.43Å; H588-R591 PolarHBondContact O-N 3.44Å; H588-E944 IonicContact CE1-OE1 3.38Å; H588-E944 PolarHBondContact CE1-OE1 3.14Å; H588-E944 VanDerWaalsContact CE1-OE1 3.29Å; H588-E944 IonicContact ND1-OE1 2.7Å; H588-E944 PolarHBondContact ND1-OE1 3.01Å; H588-E944 IonicContact ND1-OE2 3.76Å; H588-E944 PolarHBondContact ND1-OE2 3.39Å
589	E	96.1	Very high	96.6	Very high	117 Å²	117	31.4 Å²	31.4	55%	0.547	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-65.8	-20.4	-174	-60.4	76.9	-163.7	0	0	114.3	Q587	Q587-E589 VanDerWaalsContact C-N 3.29Å; Q587-E589 VanDerWaalsContact CD-OE2 3.31Å; Q587-E589 VanDerWaalsContact CG-OE2 3.23Å; Q587-E589 WeakPolarHBondContact CG-OE2 3.04Å; Q587-E589 PolarHBondContact NE2-OE2 3.3Å; Q587-E589 PolarHBondContact O-N 3.41Å; Q587-E589 VanDerWaalsContact O-N 3.13Å
590	I	97.4	Very high	96.6	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-106	-1	-179.3	63.9	168.1	0	0	0	113.2	L557 K559 W562 V586 Q587 H588 K592 E593 V594	L557-I590 HydrophobicContact CD2-CD1 4.27Å; L557-I590 HydrophobicContact CG-CD1 3.98Å; L557-I590 WeakPolarHBondContact O-CD1 3.16Å; K559-I590 HydrophobicContact CB-CG2 3.85Å; K559-I590 HydrophobicContact CD-CG2 4.47Å; K559-I590 HydrophobicContact CG-CG2 3.85Å; W562-I590 HydrophobicContact CB-CD1 3.84Å; W562-I590 HydrophobicContact CG-CD1 4.22Å; V586-I590 HydrophobicContact CG1-CD1 3.96Å; V586-I590 HydrophobicContact CG1-CG1 3.61Å; Q587-I590 HydrophobicContact CB-CD1 4.49Å; Q587-I590 HydrophobicContact CB-CG1 4.22Å; Q587-I590 VanDerWaalsContact O-CG1 3.23Å; Q587-I590 WeakPolarHBondContact O-CG1 3.1Å; Q587-I590 PolarHBondContact O-N 3.27Å; Q587-I590 VanDerWaalsContact O-N 3.1Å; H588-I590 PolarHBondContact O-N 3.32Å; H588-I590 VanDerWaalsContact O-N 3.14Å; I590-K592 VanDerWaalsContact C-N 3.28Å; I590-K592 PolarHBondContact O-N 3.38Å; I590-E593 PolarHBondContact O-N 3.2Å; I590-V594 HydrophobicContact CB-CG2 4.3Å; I590-V594 HydrophobicContact CD1-CG2 3.98Å; I590-V594 HydrophobicContact CG1-CG2 4.14Å; I590-V594 WeakPolarHBondContact O-CG2 3.36Å; I590-V594 PolarHBondContact O-N 3.28Å
591	R	97.9	Very high	96.6	Very high	19 Å²	19	33 Å²	33	7%	0.072	17%	0.173	C	C	.	.	H	α-helix	trans	-55.8	-43.2	-179.7	-72.3	-176.8	177.6	134.4	0.6	112.4	V586 H588 E593 V594 W595 I867 E944 E951	V586-R591 HydrophobicContact CB-CG 4.18Å; V586-R591 HydrophobicContact CG1-CG 3.95Å; V586-R591 PolarHBondContact O-NE 3.48Å; V586-R591 PolarHBondContact O-NH2 2.91Å; H588-R591 PolarHBondContact ND1-NH1 3.43Å; H588-R591 PolarHBondContact O-N 3.44Å; R591-E593 PolarHBondContact O-N 3.06Å; R591-V594 PolarHBondContact O-N 3.26Å; R591-V594 VanDerWaalsContact O-N 3.16Å; R591-W595 HydrophobicContact CB-CG 4.47Å; R591-W595 VanDerWaalsContact O-CB 3.27Å; R591-W595 WeakPolarHBondContact O-CB 3.49Å; R591-W595 PolarHBondContact O-N 2.79Å; R591-I867 HydrophobicContact CB-CD1 4.3Å; R591-I867 HydrophobicContact CB-CG2 3.69Å; R591-E944 IonicContact CZ-OE2 2.7Å; R591-E944 IonicContact NH1-OE2 3.81Å; R591-E944 PolarHBondContact NH1-OE2 2.83Å; R591-E944 IonicContact NH2-OE2 3Å; R591-E951 VanDerWaalsContact CD-OE1 3.31Å; R591-E951 WeakPolarHBondContact CD-OE1 3.43Å; R591-E951 WeakPolarHBondContact CG-OE1 3.37Å; R591-E951 IonicContact CZ-OE1 3.84Å; R591-E951 IonicContact NE-OE1 3.37Å; R591-E951 PolarHBondContact NE-OE1 3.48Å
592	K	97.3	Very high	96.6	Very high	100 Å²	100	34.1 Å²	34.1	44%	0.435	18%	0.177	S	C	.	.	H	α-helix	trans	-56.9	-31.3	176.7	-179.4	164.8	174.7	153.4	0	113.2	I590 P596 L868	I590-K592 VanDerWaalsContact C-N 3.28Å; I590-K592 PolarHBondContact O-N 3.38Å; K592-P596 WeakPolarHBondContact O-CD 3.49Å; K592-L868 WeakPolarHBondContact CD-O 3.43Å; K592-L868 WeakPolarHBondContact CE-O 3.41Å; K592-L868 PolarHBondContact NZ-O 3.3Å
593	E	95.6	Very high	96.4	Very high	80 Å²	80	41.3 Å²	41.3	37%	0.374	21%	0.208	S	C	.	.	H	α-helix	trans	-87.5	-35.1	178	-61.3	-179.2	-135.8	0	0	112.8	W562 Q566 I590 R591 F597	W562-E593 PolarHBondContact NE1-OE2 3.29Å; W562-E593 VanDerWaalsContact NE1-OE2 3.16Å; Q566-E593 PolarHBondContact NE2-OE2 3.07Å; I590-E593 PolarHBondContact O-N 3.2Å; R591-E593 PolarHBondContact O-N 3.06Å; E593-F597 VanDerWaalsContact O-CD2 3.22Å; E593-F597 WeakPolarHBondContact O-CD2 3.22Å; E593-F597 WeakPolarHBondContact O-CE2 3.29Å
594	V	97.3	Very high	96.2	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-86.3	-41	-172	173.2	0	0	0	0	112.3	L557 W562 V586 I590 R591 P596 F597 L598	L557-V594 HydrophobicContact CD2-CG1 3.96Å; L557-V594 HydrophobicContact CD2-CG2 3.82Å; W562-V594 HydrophobicContact CD2-CG2 3.7Å; W562-V594 HydrophobicContact CE3-CG2 3.93Å; W562-V594 HydrophobicContact CG-CG2 4.21Å; W562-V594 HydrophobicContact CH2-CG2 4.13Å; W562-V594 HydrophobicContact CZ2-CG2 3.92Å; W562-V594 HydrophobicContact CZ3-CG2 4.14Å; V586-V594 HydrophobicContact CG1-CB 4.09Å; V586-V594 HydrophobicContact CG1-CG1 4.19Å; V586-V594 HydrophobicContact CG1-CG2 4.13Å; V586-V594 HydrophobicContact CG2-CG1 3.99Å; I590-V594 HydrophobicContact CB-CG2 4.3Å; I590-V594 HydrophobicContact CD1-CG2 3.98Å; I590-V594 HydrophobicContact CG1-CG2 4.14Å; I590-V594 WeakPolarHBondContact O-CG2 3.36Å; I590-V594 PolarHBondContact O-N 3.28Å; R591-V594 PolarHBondContact O-N 3.26Å; R591-V594 VanDerWaalsContact O-N 3.16Å; V594-P596 VanDerWaalsContact C-CD 3.5Å; V594-F597 WeakPolarHBondContact O-CA 3.37Å; V594-F597 WeakPolarHBondContact O-CB 3.3Å; V594-F597 PolarHBondContact O-N 2.9Å; V594-L598 HydrophobicContact CG1-CD1 3.95Å; V594-L598 HydrophobicContact CG1-CD2 4.34Å; V594-L598 HydrophobicContact CG1-CG 3.92Å; V594-L598 PolarHBondContact O-N 3.49Å
595	W	98.3	Very high	96	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-55.3	-41.3	-176	-79.3	24	0	0	0	114	R591 F597 L598 L599 L864 I867 F947 E951 W954	R591-W595 HydrophobicContact CB-CG 4.47Å; R591-W595 VanDerWaalsContact O-CB 3.27Å; R591-W595 WeakPolarHBondContact O-CB 3.49Å; R591-W595 PolarHBondContact O-N 2.79Å; W595-F597 PolarHBondContact O-N 3.02Å; W595-L598 PolarHBondContact O-N 2.97Å; W595-L598 VanDerWaalsContact O-N 3.12Å; W595-L599 WeakPolarHBondContact O-CB 3.34Å; W595-L599 PolarHBondContact O-N 3.28Å; W595-L864 HydrophobicContact CE3-CD2 3.85Å; W595-L864 HydrophobicContact CZ3-CD2 3.8Å; W595-I867 HydrophobicContact CD2-CB 4.41Å; W595-I867 HydrophobicContact CD2-CG2 3.84Å; W595-I867 HydrophobicContact CE3-CB 3.88Å; W595-I867 HydrophobicContact CE3-CG1 4.18Å; W595-I867 HydrophobicContact CE3-CG2 3.72Å; W595-I867 HydrophobicContact CG-CG2 4.36Å; W595-I867 HydrophobicContact CH2-CB 4.16Å; W595-I867 HydrophobicContact CH2-CG1 3.54Å; W595-I867 HydrophobicContact CZ2-CG1 3.93Å; W595-I867 HydrophobicContact CZ3-CB 3.72Å; W595-I867 HydrophobicContact CZ3-CG1 3.65Å; W595-I867 HydrophobicContact CZ3-CG2 4.08Å; W595-F947 HydrophobicContact CH2-CB 4.41Å; W595-F947 AromaticContact CH2-CD1 3.44Å; W595-F947 HydrophobicContact CH2-CD1 3.44Å; W595-F947 VanDerWaalsContact CH2-CD1 3.44Å; W595-F947 AromaticContact CH2-CE1 3.95Å; W595-F947 HydrophobicContact CH2-CE1 3.95Å; W595-F947 HydrophobicContact CH2-CG 4.13Å; W595-F947 HydrophobicContact CZ2-CB 3.87Å; W595-F947 AromaticContact CZ2-CD1 3.79Å; W595-F947 HydrophobicContact CZ2-CD1 3.79Å; W595-F947 AromaticContact CZ2-CG 4Å; W595-F947 HydrophobicContact CZ2-CG 4Å; W595-E951 PolarHBondContact NE1-OE1 3.14Å; W595-W954 HydrophobicContact CB-CZ3 4.47Å; W595-W954 AromaticContact CD2-CH2 3.9Å; W595-W954 HydrophobicContact CD2-CH2 3.9Å; W595-W954 AromaticContact CD2-CZ3 3.76Å; W595-W954 HydrophobicContact CD2-CZ3 3.76Å; W595-W954 AromaticContact CE2-CZ3 3.89Å; W595-W954 AromaticContact CE3-CH2 3.87Å; W595-W954 HydrophobicContact CE3-CH2 3.87Å; W595-W954 HydrophobicContact CE3-CZ3 4.21Å; W595-W954 HydrophobicContact CG-CH2 4.45Å; W595-W954 AromaticContact CG-CZ3 3.9Å; W595-W954 HydrophobicContact CG-CZ3 3.9Å; W595-W954 HydrophobicContact CH2-CH2 4.22Å; W595-W954 HydrophobicContact CZ2-CH2 4.27Å; W595-W954 HydrophobicContact CZ2-CZ3 4.39Å; W595-W954 HydrophobicContact CZ3-CH2 4.05Å
596	P	97.8	Very high	95.7	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-58.1	-28.9	174.1	-27.6	37.6	0	0	0	114	K592 V594 G600 H601 Y602 L868 L873	K592-P596 WeakPolarHBondContact O-CD 3.49Å; V594-P596 VanDerWaalsContact C-CD 3.5Å; P596-G600 PolarHBondContact O-N 2.87Å; P596-H601 HydrophobicContact CB-CB 4.13Å; P596-H601 WeakPolarHBondContact O-CA 3.42Å; P596-H601 WeakPolarHBondContact O-CB 3.2Å; P596-H601 PolarHBondContact O-N 3.14Å; P596-Y602 HydrophobicContact CB-CD2 3.48Å; P596-Y602 VanDerWaalsContact CB-CD2 3.48Å; P596-Y602 HydrophobicContact CB-CE2 3.52Å; P596-Y602 HydrophobicContact CB-CG 4.34Å; P596-Y602 HydrophobicContact CG-CD2 4.49Å; P596-Y602 HydrophobicContact CG-CE2 4.16Å; P596-Y602 PolarHBondContact O-N 3.36Å; P596-L868 HydrophobicContact CG-CD2 3.97Å; P596-L873 HydrophobicContact CB-CD1 4.22Å; P596-L873 HydrophobicContact CG-CD1 4.05Å; P596-L873 HydrophobicContact CG-CD2 4.06Å; P596-L873 HydrophobicContact CG-CG 4.34Å
597	F	96.7	Very high	95.3	Very high	16 Å²	16	43.8 Å²	43.8	7%	0.07	22%	0.223	C	C	.	.	H	α-helix	trans	-76.1	-43.9	173.3	-67.6	-93.8	0	0	0	111.9	W562 E593 V594 W595 L599 G600 Y602 F604 M611	W562-F597 AromaticContact CH2-CD2 3.66Å; W562-F597 HydrophobicContact CH2-CD2 3.66Å; W562-F597 AromaticContact CH2-CE2 3.83Å; W562-F597 HydrophobicContact CH2-CE2 3.83Å; W562-F597 HydrophobicContact CH2-CG 4.1Å; W562-F597 HydrophobicContact CH2-CZ 4.41Å; W562-F597 AromaticContact CZ2-CD2 3.86Å; W562-F597 HydrophobicContact CZ2-CD2 3.86Å; W562-F597 AromaticContact CZ2-CE2 3.7Å; W562-F597 HydrophobicContact CZ2-CE2 3.7Å; W562-F597 HydrophobicContact CZ2-CZ 4.45Å; E593-F597 VanDerWaalsContact O-CD2 3.22Å; E593-F597 WeakPolarHBondContact O-CD2 3.22Å; E593-F597 WeakPolarHBondContact O-CE2 3.29Å; V594-F597 WeakPolarHBondContact O-CA 3.37Å; V594-F597 WeakPolarHBondContact O-CB 3.3Å; V594-F597 PolarHBondContact O-N 2.9Å; W595-F597 PolarHBondContact O-N 3.02Å; F597-L599 VanDerWaalsContact C-N 3.3Å; F597-L599 PolarHBondContact O-N 3.49Å; F597-G600 PolarHBondContact O-N 3.27Å; F597-G600 VanDerWaalsContact O-N 3.11Å; F597-Y602 AromaticContact CD2-CD2 3.91Å; F597-Y602 HydrophobicContact CD2-CD2 3.91Å; F597-Y602 HydrophobicContact CE1-CD2 4.37Å; F597-Y602 HydrophobicContact CE1-CG 4.33Å; F597-Y602 AromaticContact CE2-CD2 3.57Å; F597-Y602 HydrophobicContact CE2-CD2 3.57Å; F597-Y602 HydrophobicContact CE2-CE2 4.42Å; F597-Y602 HydrophobicContact CE2-CG 4.31Å; F597-Y602 HydrophobicContact CG-CD2 4.44Å; F597-Y602 AromaticContact CZ-CD2 3.82Å; F597-Y602 HydrophobicContact CZ-CD2 3.82Å; F597-Y602 HydrophobicContact CZ-CG 4.16Å; F597-F604 HydrophobicContact CB-CE1 4.01Å; F597-F604 HydrophobicContact CB-CE2 4.14Å; F597-F604 HydrophobicContact CB-CZ 3.76Å; F597-F604 HydrophobicContact CD1-CD1 4.21Å; F597-F604 HydrophobicContact CD1-CE1 4.4Å; F597-F604 HydrophobicContact CD1-CG 4.43Å; F597-F604 HydrophobicContact CG-CE1 4.42Å; F597-M611 HydrophobicContact CZ-CE 4.27Å; F597-M611 HydrophobicContact CZ-SD 3.84Å
598	L	97.4	Very high	95.1	Very high	25 Å²	25	47.5 Å²	47.5	13%	0.131	24%	0.238	C	C	.	.	H	α-helix	trans	-63.7	-37.7	179.9	-58.6	-174.3	0	0	0	112.1	L578 V581 V586 V594 W595 G600 F604 E951 W954 V955	L578-L598 HydrophobicContact CD2-CD2 3.88Å; V581-L598 HydrophobicContact CG1-CD1 4.12Å; V586-L598 HydrophobicContact CG2-CD1 4.33Å; V594-L598 HydrophobicContact CG1-CD1 3.95Å; V594-L598 HydrophobicContact CG1-CD2 4.34Å; V594-L598 HydrophobicContact CG1-CG 3.92Å; V594-L598 PolarHBondContact O-N 3.49Å; W595-L598 PolarHBondContact O-N 2.97Å; W595-L598 VanDerWaalsContact O-N 3.12Å; L598-G600 VanDerWaalsContact C-N 3.3Å; L598-F604 HydrophobicContact CD2-CZ 4.24Å; L598-E951 HydrophobicContact CD1-CG 4.4Å; L598-W954 HydrophobicContact CB-CB 4.5Å; L598-W954 HydrophobicContact CB-CE3 3.91Å; L598-W954 HydrophobicContact CD1-CE3 4.13Å; L598-V955 HydrophobicContact CD1-CG1 4.46Å; L598-V955 HydrophobicContact CD2-CG1 3.79Å
599	L	97.1	Very high	94.9	Very high	17 Å²	17	50.7 Å²	50.7	9%	0.089	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-8	176.9	-69.5	168.6	0	0	0	113	W595 F597 L864 C877 Q880 L881 W954	W595-L599 WeakPolarHBondContact O-CB 3.34Å; W595-L599 PolarHBondContact O-N 3.28Å; F597-L599 VanDerWaalsContact C-N 3.3Å; F597-L599 PolarHBondContact O-N 3.49Å; L599-L864 HydrophobicContact CD1-CD2 3.58Å; L599-C877 HydrophobicContact CD1-CB 3.72Å; L599-Q880 WeakPolarHBondContact O-CB 3.18Å; L599-Q880 WeakPolarHBondContact O-CG 3.5Å; L599-L881 HydrophobicContact CD2-CB 4.25Å; L599-L881 HydrophobicContact CD2-CD1 4.39Å; L599-W954 HydrophobicContact CD1-CH2 3.99Å; L599-W954 HydrophobicContact CD1-CZ2 4.25Å; L599-W954 HydrophobicContact CD1-CZ3 4.33Å; L599-W954 HydrophobicContact CD2-CD2 3.86Å; L599-W954 HydrophobicContact CD2-CE3 4.29Å; L599-W954 HydrophobicContact CD2-CG 4.38Å; L599-W954 HydrophobicContact CD2-CH2 4.12Å; L599-W954 HydrophobicContact CD2-CZ2 3.66Å; L599-W954 HydrophobicContact CD2-CZ3 4.42Å; L599-W954 HydrophobicContact CG-CD2 4.32Å; L599-W954 HydrophobicContact CG-CE3 4.26Å; L599-W954 HydrophobicContact CG-CH2 4.15Å; L599-W954 HydrophobicContact CG-CZ2 4.21Å; L599-W954 HydrophobicContact CG-CZ3 4.18Å
600	G	95.6	Very high	94.8	Very high	37 Å²	37	48.2 Å²	48.2	38%	0.381	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	21	177.4	0	0	0	0	0	114.9	P596 F597 L598	P596-G600 PolarHBondContact O-N 2.87Å; F597-G600 PolarHBondContact O-N 3.27Å; F597-G600 VanDerWaalsContact O-N 3.11Å; L598-G600 VanDerWaalsContact C-N 3.3Å
601	H	96.6	Very high	94.7	Very high	11 Å²	11	49.8 Å²	49.8	5%	0.051	25%	0.249	C	C	.	.	S	Bend	trans	-66.6	-45.1	163.4	175.2	82	0	0	0	110.1	P596 D615 L873 S876	P596-H601 HydrophobicContact CB-CB 4.13Å; P596-H601 WeakPolarHBondContact O-CA 3.42Å; P596-H601 WeakPolarHBondContact O-CB 3.2Å; P596-H601 PolarHBondContact O-N 3.14Å; H601-D615 IonicContact NE2-OD1 3.45Å; H601-D615 PolarHBondContact NE2-OD1 3.13Å; H601-L873 VanDerWaalsContact CD2-CD1 3.46Å; H601-L873 WeakPolarHBondContact CD2-CD1 3.49Å; H601-L873 WeakPolarHBondContact NE2-CD1 3.3Å; H601-S876 PolarHBondContact CE1-OG 3.1Å; H601-S876 VanDerWaalsContact ND1-CB 3.27Å; H601-S876 WeakPolarHBondContact ND1-CB 3.39Å; H601-S876 PolarHBondContact ND1-OG 2.81Å
602	Y	95.7	Very high	94.6	Very high	25 Å²	25	52.4 Å²	52.4	10%	0.098	27%	0.27	C	S	.	.	S	Bend	trans	-104.1	153.3	167.4	-56.3	-43.8	0	0	0	111.3	P596 F597 M611 I614 D615	P596-Y602 HydrophobicContact CB-CD2 3.48Å; P596-Y602 VanDerWaalsContact CB-CD2 3.48Å; P596-Y602 HydrophobicContact CB-CE2 3.52Å; P596-Y602 HydrophobicContact CB-CG 4.34Å; P596-Y602 HydrophobicContact CG-CD2 4.49Å; P596-Y602 HydrophobicContact CG-CE2 4.16Å; P596-Y602 PolarHBondContact O-N 3.36Å; F597-Y602 AromaticContact CD2-CD2 3.91Å; F597-Y602 HydrophobicContact CD2-CD2 3.91Å; F597-Y602 HydrophobicContact CE1-CD2 4.37Å; F597-Y602 HydrophobicContact CE1-CG 4.33Å; F597-Y602 AromaticContact CE2-CD2 3.57Å; F597-Y602 HydrophobicContact CE2-CD2 3.57Å; F597-Y602 HydrophobicContact CE2-CE2 4.42Å; F597-Y602 HydrophobicContact CE2-CG 4.31Å; F597-Y602 HydrophobicContact CG-CD2 4.44Å; F597-Y602 AromaticContact CZ-CD2 3.82Å; F597-Y602 HydrophobicContact CZ-CD2 3.82Å; F597-Y602 HydrophobicContact CZ-CG 4.16Å; Y602-M611 HydrophobicContact CD1-CB 4.21Å; Y602-M611 HydrophobicContact CD1-CG 3.89Å; Y602-M611 HydrophobicContact CD2-SD 4.37Å; Y602-M611 HydrophobicContact CE1-CB 3.89Å; Y602-M611 HydrophobicContact CE1-CG 4.06Å; Y602-M611 HydrophobicContact CG-CG 4.21Å; Y602-M611 HydrophobicContact CG-SD 4.47Å; Y602-I614 HydrophobicContact CE1-CG2 4.5Å; Y602-D615 VanDerWaalsContact CE1-OD1 3.32Å; Y602-D615 WeakPolarHBondContact CE1-OD1 3.49Å; Y602-D615 VanDerWaalsContact OH-CG 3.31Å; Y602-D615 PolarHBondContact OH-OD1 2.85Å; Y602-D615 PolarHBondContact OH-OD2 3.35Å
603	K	92.5	Very high	94.6	Very high	155 Å²	155	52.9 Å²	52.9	67%	0.674	27%	0.274	S	S	*	.			trans	-99.2	143	168.6	-61.6	-179	179.6	179.5	0	109.7	G605 M606	K603-G605 PolarHBondContact O-N 3.28Å; K603-M606 HydrophobicContact CB-CG 3.93Å; K603-M606 HydrophobicContact CB-SD 3.77Å; K603-M606 HydrophobicContact CG-SD 4.27Å; K603-M606 PolarHBondContact N-SD 3.35Å; K603-M606 WeakPolarHBondContact O-CB 3.41Å; K603-M606 WeakPolarHBondContact O-CG 3Å; K603-M606 PolarHBondContact O-N 3.48Å
604	F	91.4	Very high	94.6	Very high	41 Å²	41	51.5 Å²	51.5	18%	0.18	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	136.3	171.6	-69.1	-83.6	0	0	0	110.4	W562 Y565 E574 L577 L578 F597 L598	W562-F604 HydrophobicContact CZ3-CE1 4.44Å; Y565-F604 HydrophobicContact CE1-CD1 4.4Å; Y565-F604 AromaticContact CZ-CD1 3.91Å; Y565-F604 WeakPolarHBondContact OH-CA 3.31Å; Y565-F604 WeakPolarHBondContact OH-CD1 3.22Å; E574-F604 HydrophobicContact CB-CB 4.5Å; E574-F604 HydrophobicContact CG-CB 4.18Å; E574-F604 HydrophobicContact CG-CD2 3.65Å; E574-F604 HydrophobicContact CG-CE2 4.14Å; E574-F604 HydrophobicContact CG-CG 3.87Å; L577-F604 HydrophobicContact CD1-CD1 3.99Å; L577-F604 HydrophobicContact CD1-CE1 3.84Å; L578-F604 HydrophobicContact CD2-CE2 4.12Å; L578-F604 HydrophobicContact CD2-CZ 4.03Å; F597-F604 HydrophobicContact CB-CE1 4.01Å; F597-F604 HydrophobicContact CB-CE2 4.14Å; F597-F604 HydrophobicContact CB-CZ 3.76Å; F597-F604 HydrophobicContact CD1-CD1 4.21Å; F597-F604 HydrophobicContact CD1-CE1 4.4Å; F597-F604 HydrophobicContact CD1-CG 4.43Å; F597-F604 HydrophobicContact CG-CE1 4.42Å; L598-F604 HydrophobicContact CD2-CZ 4.24Å
605	G	89	Confident	94.6	Very high	29 Å²	29	53.8 Å²	53.8	30%	0.299	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	-1.8	179.9	0	0	0	0	0	114.8	Y565 C569 K603	Y565-G605 PolarHBondContact OH-N 3.04Å; C569-G605 WeakPolarHBondContact O-CA 3.23Å; K603-G605 PolarHBondContact O-N 3.28Å
606	M	90.3	Very high	94.5	Very high	34 Å²	34	56.8 Å²	56.8	17%	0.167	31%	0.305	C	S	.	.			trans	-66.5	149.8	174.2	-71.9	-172.2	62.8	0	0	112.5	K603 D610 M611 I614	K603-M606 HydrophobicContact CB-CG 3.93Å; K603-M606 HydrophobicContact CB-SD 3.77Å; K603-M606 HydrophobicContact CG-SD 4.27Å; K603-M606 PolarHBondContact N-SD 3.35Å; K603-M606 WeakPolarHBondContact O-CB 3.41Å; K603-M606 WeakPolarHBondContact O-CG 3Å; K603-M606 PolarHBondContact O-N 3.48Å; M606-D610 HydrophobicContact CE-CB 3.44Å; M606-D610 VanDerWaalsContact CE-CB 3.44Å; M606-M611 HydrophobicContact CB-CG 4.38Å; M606-M611 WeakPolarHBondContact O-CE 2.88Å; M606-I614 HydrophobicContact CE-CD1 3.42Å; M606-I614 VanDerWaalsContact CE-CD1 3.42Å; M606-I614 HydrophobicContact CE-CG1 4.24Å; M606-I614 HydrophobicContact SD-CD1 3.96Å
607	S	90.1	Very high	94.5	Very high	48 Å²	48	64 Å²	64	34%	0.336	34%	0.336	S	S	.	.			trans	-86.1	158.2	173.3	79.8	0	0	0	0	111.4	K609 D610 M611	S607-K609 PolarHBondContact O-N 3.39Å; S607-D610 WeakPolarHBondContact CB-OD2 3.29Å; S607-D610 PolarHBondContact N-OD2 3.48Å; S607-D610 PolarHBondContact O-N 3.44Å; S607-D610 PolarHBondContact OG-N 2.97Å; S607-D610 PolarHBondContact OG-OD2 3.04Å; S607-M611 WeakPolarHBondContact O-CG 3.29Å; S607-M611 PolarHBondContact O-N 3.41Å
608	K	90.8	Very high	94.5	Very high	152 Å²	152	64.9 Å²	64.9	66%	0.661	34%	0.341	S	S	*	.	H	α-helix	trans	-56.5	-34.2	176.1	-69	-168.8	176.5	-170.7	0	112.6	D610 M611 S612	K608-D610 VanDerWaalsContact C-N 3.34Å; K608-M611 HydrophobicContact CG-CE 4.22Å; K608-M611 PolarHBondContact O-N 3.22Å; K608-S612 PolarHBondContact O-N 3.38Å; K608-S612 PolarHBondContact O-OG 3.47Å; K608-S612 VanDerWaalsContact O-OG 3.12Å
609	K	93.3	Very high	94.5	Very high	155 Å²	155	65.7 Å²	65.7	67%	0.674	35%	0.349	S	S	*	.	H	α-helix	trans	-66.9	-36	177.3	-172.1	-176.6	176	-177.9	0	112.1	S607 Q613	S607-K609 PolarHBondContact O-N 3.39Å; K609-Q613 WeakPolarHBondContact O-CG 3.12Å; K609-Q613 PolarHBondContact O-N 3.37Å; K609-Q613 PolarHBondContact O-NE2 2.93Å; K609-Q613 VanDerWaalsContact O-NE2 3.15Å
610	D	93.8	Very high	94.6	Very high	65 Å²	65	71.8 Å²	71.8	35%	0.348	38%	0.377	S	S	.	.	H	α-helix	trans	-75.3	-37	178	-52.7	-43.2	0	0	0	110.8	M606 S607 K608 Q613 I614	M606-D610 HydrophobicContact CE-CB 3.44Å; M606-D610 VanDerWaalsContact CE-CB 3.44Å; S607-D610 WeakPolarHBondContact CB-OD2 3.29Å; S607-D610 PolarHBondContact N-OD2 3.48Å; S607-D610 PolarHBondContact O-N 3.44Å; S607-D610 PolarHBondContact OG-N 2.97Å; S607-D610 PolarHBondContact OG-OD2 3.04Å; K608-D610 VanDerWaalsContact C-N 3.34Å; D610-Q613 PolarHBondContact O-N 3.11Å; D610-I614 PolarHBondContact O-N 2.95Å
611	M	94.8	Very high	94.6	Very high	35 Å²	35	76.7 Å²	76.7	17%	0.172	38%	0.384	C	S	.	.	H	α-helix	trans	-58.9	-51	172.9	-66.1	179.2	-118.8	0	0	110.9	F597 Y602 M606 S607 K608 Q613 I614 D615	F597-M611 HydrophobicContact CZ-CE 4.27Å; F597-M611 HydrophobicContact CZ-SD 3.84Å; Y602-M611 HydrophobicContact CD1-CB 4.21Å; Y602-M611 HydrophobicContact CD1-CG 3.89Å; Y602-M611 HydrophobicContact CD2-SD 4.37Å; Y602-M611 HydrophobicContact CE1-CB 3.89Å; Y602-M611 HydrophobicContact CE1-CG 4.06Å; Y602-M611 HydrophobicContact CG-CG 4.21Å; Y602-M611 HydrophobicContact CG-SD 4.47Å; M606-M611 HydrophobicContact CB-CG 4.38Å; M606-M611 WeakPolarHBondContact O-CE 2.88Å; S607-M611 WeakPolarHBondContact O-CG 3.29Å; S607-M611 PolarHBondContact O-N 3.41Å; K608-M611 HydrophobicContact CG-CE 4.22Å; K608-M611 PolarHBondContact O-N 3.22Å; M611-Q613 PolarHBondContact O-N 3Å; M611-I614 WeakPolarHBondContact O-CA 3.45Å; M611-I614 WeakPolarHBondContact O-CB 3.16Å; M611-I614 PolarHBondContact O-N 3.28Å; M611-D615 VanDerWaalsContact O-CG 3.23Å; M611-D615 PolarHBondContact O-N 2.92Å
612	S	95.6	Very high	94.7	Very high	74 Å²	74	76.1 Å²	76.1	52%	0.517	38%	0.382	S	S	.	.	H	α-helix	trans	-61.3	-28.8	178.2	-56.9	0	0	0	0	113.9	K608 A616	K608-S612 PolarHBondContact O-N 3.38Å; K608-S612 PolarHBondContact O-OG 3.47Å; K608-S612 VanDerWaalsContact O-OG 3.12Å; S612-A616 WeakPolarHBondContact O-CB 3.29Å; S612-A616 PolarHBondContact O-N 2.96Å
613	Q	96.6	Very high	94.8	Very high	110 Å²	110	78.8 Å²	78.8	51%	0.514	40%	0.395	S	S	.	.	H	α-helix	trans	-71.5	-38.7	173.1	-75.7	170.2	58	0	0	112.1	K609 D610 M611 K617	K609-Q613 WeakPolarHBondContact O-CG 3.12Å; K609-Q613 PolarHBondContact O-N 3.37Å; K609-Q613 PolarHBondContact O-NE2 2.93Å; K609-Q613 VanDerWaalsContact O-NE2 3.15Å; D610-Q613 PolarHBondContact O-N 3.11Å; M611-Q613 PolarHBondContact O-N 3Å; Q613-K617 WeakPolarHBondContact O-CB 3.39Å; Q613-K617 PolarHBondContact O-N 2.95Å; Q613-K617 VanDerWaalsContact O-N 3.09Å
614	I	96.2	Very high	95	Very high	50 Å²	50	75 Å²	75	26%	0.256	38%	0.38	S	S	.	.	H	α-helix	trans	-62.4	-49.3	172.3	-70.6	-176.2	0	0	0	109.6	Y602 M606 D610 M611 A616 K617 I618	Y602-I614 HydrophobicContact CE1-CG2 4.5Å; M606-I614 HydrophobicContact CE-CD1 3.42Å; M606-I614 VanDerWaalsContact CE-CD1 3.42Å; M606-I614 HydrophobicContact CE-CG1 4.24Å; M606-I614 HydrophobicContact SD-CD1 3.96Å; D610-I614 PolarHBondContact O-N 2.95Å; M611-I614 WeakPolarHBondContact O-CA 3.45Å; M611-I614 WeakPolarHBondContact O-CB 3.16Å; M611-I614 PolarHBondContact O-N 3.28Å; I614-A616 PolarHBondContact O-N 2.96Å; I614-K617 PolarHBondContact O-N 3.16Å; I614-I618 HydrophobicContact CG2-CG1 4.08Å; I614-I618 WeakPolarHBondContact O-CB 3.29Å; I614-I618 VanDerWaalsContact O-CG1 3.3Å; I614-I618 WeakPolarHBondContact O-CG1 3.34Å; I614-I618 PolarHBondContact O-N 3.31Å
615	D	96.3	Very high	95.3	Very high	50 Å²	50	73.4 Å²	73.4	27%	0.267	37%	0.373	S	S	.	.	H	α-helix	trans	-56.8	-50.8	-179.2	-59.3	-24.4	0	0	0	110.7	H601 Y602 M611 K617 I618 S619	H601-D615 IonicContact NE2-OD1 3.45Å; H601-D615 PolarHBondContact NE2-OD1 3.13Å; Y602-D615 VanDerWaalsContact CE1-OD1 3.32Å; Y602-D615 WeakPolarHBondContact CE1-OD1 3.49Å; Y602-D615 VanDerWaalsContact OH-CG 3.31Å; Y602-D615 PolarHBondContact OH-OD1 2.85Å; Y602-D615 PolarHBondContact OH-OD2 3.35Å; M611-D615 VanDerWaalsContact O-CG 3.23Å; M611-D615 PolarHBondContact O-N 2.92Å; D615-K617 VanDerWaalsContact C-N 3.33Å; D615-K617 PolarHBondContact O-N 3.17Å; D615-I618 PolarHBondContact O-N 2.86Å; D615-S619 WeakPolarHBondContact O-CB 3.35Å; D615-S619 PolarHBondContact O-N 3.42Å; D615-S619 PolarHBondContact O-OG 2.77Å
616	A	97.4	Very high	95.6	Very high	62 Å²	62	73 Å²	73	51%	0.512	36%	0.364	S	S	.	.	H	α-helix	trans	-58.4	-44.2	178.7	0	0	0	0	0	112.3	S612 I614 E620	S612-A616 WeakPolarHBondContact O-CB 3.29Å; S612-A616 PolarHBondContact O-N 2.96Å; I614-A616 PolarHBondContact O-N 2.96Å; A616-E620 WeakPolarHBondContact O-CB 3.41Å; A616-E620 PolarHBondContact O-N 3.33Å
617	K	97.5	Very high	95.9	Very high	153 Å²	153	78.6 Å²	78.6	67%	0.665	38%	0.383	S	S	*	.	H	α-helix	trans	-65.5	-40.4	178.6	-177.3	178.6	-179.8	178.4	0	112.1	Q613 I614 D615 R621	Q613-K617 WeakPolarHBondContact O-CB 3.39Å; Q613-K617 PolarHBondContact O-N 2.95Å; Q613-K617 VanDerWaalsContact O-N 3.09Å; I614-K617 PolarHBondContact O-N 3.16Å; D615-K617 VanDerWaalsContact C-N 3.33Å; D615-K617 PolarHBondContact O-N 3.17Å; K617-R621 WeakPolarHBondContact O-CB 3.38Å; K617-R621 PolarHBondContact O-N 3.25Å; K617-R621 VanDerWaalsContact O-N 3.07Å
618	I	96.9	Very high	96.2	Very high	34 Å²	34	79.5 Å²	79.5	17%	0.174	38%	0.382	C	S	.	.	H	α-helix	trans	-69.1	-45.6	178.8	-72.4	-62.1	0	0	0	110.4	I614 D615 E620 R621 Y622	I614-I618 HydrophobicContact CG2-CG1 4.08Å; I614-I618 WeakPolarHBondContact O-CB 3.29Å; I614-I618 VanDerWaalsContact O-CG1 3.3Å; I614-I618 WeakPolarHBondContact O-CG1 3.34Å; I614-I618 PolarHBondContact O-N 3.31Å; D615-I618 PolarHBondContact O-N 2.86Å; I618-E620 VanDerWaalsContact C-N 3.35Å; I618-E620 PolarHBondContact O-N 3.31Å; I618-R621 PolarHBondContact O-N 3.09Å; I618-Y622 VanDerWaalsContact O-CB 3.3Å; I618-Y622 WeakPolarHBondContact O-CB 3.49Å; I618-Y622 PolarHBondContact O-N 3.4Å
619	S	97.5	Very high	96.4	Very high	42 Å²	42	72.4 Å²	72.4	29%	0.294	35%	0.351	S	S	.	.	H	α-helix	trans	-60.6	-43.1	175.6	-68.2	0	0	0	0	111.7	D615 Y622 Q623 S872	D615-S619 WeakPolarHBondContact O-CB 3.35Å; D615-S619 PolarHBondContact O-N 3.42Å; D615-S619 PolarHBondContact O-OG 2.77Å; S619-Y622 PolarHBondContact O-N 3.3Å; S619-Q623 WeakPolarHBondContact O-CB 3.12Å; S619-Q623 WeakPolarHBondContact O-CG 3.25Å; S619-Q623 PolarHBondContact O-N 2.97Å; S619-S872 WeakPolarHBondContact OG-CB 3.22Å; S619-S872 PolarHBondContact OG-OG 3.23Å
620	E	97.8	Very high	96.6	Very high	145 Å²	145	68.7 Å²	68.7	68%	0.678	34%	0.335	S	S	*	.	H	α-helix	trans	-60.4	-47.8	175.9	-176.4	179	-162.7	0	0	111.7	A616 I618 Q623 Q624	A616-E620 WeakPolarHBondContact O-CB 3.41Å; A616-E620 PolarHBondContact O-N 3.33Å; I618-E620 VanDerWaalsContact C-N 3.35Å; I618-E620 PolarHBondContact O-N 3.31Å; E620-Q623 PolarHBondContact O-N 3.04Å; E620-Q624 WeakPolarHBondContact O-CB 3.42Å; E620-Q624 PolarHBondContact O-N 3.33Å
621	R	97.2	Very high	96.6	Very high	140 Å²	140	68 Å²	68	53%	0.528	34%	0.339	S	S	.	.	H	α-helix	trans	-61.2	-46.2	176.8	-179.4	176.7	178.9	166.8	1	111.7	K617 I618 Q623 Q624 V625 E847	K617-R621 WeakPolarHBondContact O-CB 3.38Å; K617-R621 PolarHBondContact O-N 3.25Å; K617-R621 VanDerWaalsContact O-N 3.07Å; I618-R621 PolarHBondContact O-N 3.09Å; R621-Q623 VanDerWaalsContact C-N 3.34Å; R621-Q623 PolarHBondContact O-N 3.45Å; R621-Q624 WeakPolarHBondContact O-CB 3.06Å; R621-Q624 PolarHBondContact O-N 3.48Å; R621-V625 HydrophobicContact CG-CG2 4.34Å; R621-V625 WeakPolarHBondContact O-CG2 3.32Å; R621-V625 PolarHBondContact O-N 3.2Å; R621-E847 IonicContact CZ-OE1 2.91Å; R621-E847 IonicContact NE-OE1 3.22Å; R621-E847 PolarHBondContact NE-OE1 2.64Å; R621-E847 IonicContact NH2-OE1 3.94Å; R621-E847 PolarHBondContact NH2-OE1 2.86Å; R621-E847 IonicContact NH2-OE2 2.91Å
622	Y	97.9	Very high	96.5	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-60.2	-44.8	179.9	177.1	-110.6	0	0	0	111.5	I618 S619 Q624 V625 M626 N839 S843 E871 Y875	I618-Y622 VanDerWaalsContact O-CB 3.3Å; I618-Y622 WeakPolarHBondContact O-CB 3.49Å; I618-Y622 PolarHBondContact O-N 3.4Å; S619-Y622 PolarHBondContact O-N 3.3Å; Y622-Q624 VanDerWaalsContact C-N 3.32Å; Y622-Q624 PolarHBondContact O-N 3.43Å; Y622-V625 PolarHBondContact O-N 3.29Å; Y622-M626 VanDerWaalsContact O-CB 3.28Å; Y622-M626 WeakPolarHBondContact O-CB 3.17Å; Y622-M626 PolarHBondContact O-N 3.08Å; Y622-N839 WeakPolarHBondContact OH-CB 3.47Å; Y622-S843 WeakPolarHBondContact CE2-OG 3.38Å; Y622-E871 HydrophobicContact CE1-CB 4.47Å; Y622-E871 HydrophobicContact CE1-CG 3.86Å; Y622-E871 VanDerWaalsContact OH-CG 3.28Å; Y622-E871 WeakPolarHBondContact OH-CG 3.35Å; Y622-E871 PolarHBondContact OH-OE1 3.45Å; Y622-Y875 AromaticContact CD2-CD1 3.49Å; Y622-Y875 HydrophobicContact CD2-CD1 3.49Å; Y622-Y875 VanDerWaalsContact CD2-CD1 3.49Å; Y622-Y875 AromaticContact CD2-CD2 3.81Å; Y622-Y875 HydrophobicContact CD2-CD2 3.81Å; Y622-Y875 AromaticContact CD2-CE1 3.88Å; Y622-Y875 HydrophobicContact CD2-CE1 3.88Å; Y622-Y875 HydrophobicContact CD2-CE2 4.19Å; Y622-Y875 AromaticContact CD2-CG 3.43Å; Y622-Y875 HydrophobicContact CD2-CG 3.43Å; Y622-Y875 VanDerWaalsContact CD2-CG 3.43Å; Y622-Y875 HydrophobicContact CE2-CD1 4.32Å; Y622-Y875 AromaticContact CE2-CD2 3.99Å; Y622-Y875 HydrophobicContact CE2-CD2 3.99Å; Y622-Y875 AromaticContact CE2-CG 3.81Å; Y622-Y875 HydrophobicContact CE2-CG 3.81Å; Y622-Y875 HydrophobicContact CG-CD1 4.03Å; Y622-Y875 HydrophobicContact CG-CE1 4.42Å; Y622-Y875 HydrophobicContact CG-CG 4.32Å
623	Q	97.7	Very high	96.5	Very high	81 Å²	81	63.6 Å²	63.6	38%	0.379	31%	0.309	S	S	.	.	H	α-helix	trans	-66.5	-32.6	176.7	-68.2	-64.1	-26.8	0	0	112.7	S619 E620 R621 R627	S619-Q623 WeakPolarHBondContact O-CB 3.12Å; S619-Q623 WeakPolarHBondContact O-CG 3.25Å; S619-Q623 PolarHBondContact O-N 2.97Å; E620-Q623 PolarHBondContact O-N 3.04Å; R621-Q623 VanDerWaalsContact C-N 3.34Å; R621-Q623 PolarHBondContact O-N 3.45Å; Q623-R627 WeakPolarHBondContact O-CG 3.4Å; Q623-R627 PolarHBondContact O-N 3.24Å; Q623-R627 PolarHBondContact O-NE 2.82Å
624	Q	97.2	Very high	96.4	Very high	75 Å²	75	62.3 Å²	62.3	35%	0.35	31%	0.309	S	S	.	.	H	α-helix	trans	-66.8	-53.4	173	177.1	61.9	29.6	0	0	111.2	E620 R621 Y622 M626 R627 E628	E620-Q624 WeakPolarHBondContact O-CB 3.42Å; E620-Q624 PolarHBondContact O-N 3.33Å; R621-Q624 WeakPolarHBondContact O-CB 3.06Å; R621-Q624 PolarHBondContact O-N 3.48Å; Y622-Q624 VanDerWaalsContact C-N 3.32Å; Y622-Q624 PolarHBondContact O-N 3.43Å; Q624-M626 VanDerWaalsContact C-N 3.26Å; Q624-M626 PolarHBondContact O-N 2.97Å; Q624-R627 PolarHBondContact O-N 3.46Å; Q624-R627 VanDerWaalsContact O-N 3.12Å; Q624-R627 VanDerWaalsContact OE1-CZ 3.24Å; Q624-E628 WeakPolarHBondContact CG-OE1 3.39Å; Q624-E628 PolarHBondContact NE2-OE1 3.14Å; Q624-E628 WeakPolarHBondContact O-CG 3.46Å; Q624-E628 PolarHBondContact O-N 2.81Å; Q624-E628 VanDerWaalsContact O-N 3.07Å
625	V	97.1	Very high	96.3	Very high	7 Å²	7	61.1 Å²	61.1	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-56.4	-43	177.5	168.1	0	0	0	0	110.8	R621 Y622 R627 E628 W629 S843 W846 E847	R621-V625 HydrophobicContact CG-CG2 4.34Å; R621-V625 WeakPolarHBondContact O-CG2 3.32Å; R621-V625 PolarHBondContact O-N 3.2Å; Y622-V625 PolarHBondContact O-N 3.29Å; V625-R627 PolarHBondContact O-N 3.33Å; V625-E628 WeakPolarHBondContact O-CB 3.32Å; V625-E628 PolarHBondContact O-N 2.81Å; V625-W629 PolarHBondContact O-N 2.88Å; V625-S843 WeakPolarHBondContact CG1-O 3.39Å; V625-W846 HydrophobicContact CG1-CB 4.43Å; V625-E847 HydrophobicContact CG1-CG 4.04Å; V625-E847 HydrophobicContact CG2-CG 3.88Å; V625-E847 WeakPolarHBondContact CG2-OE1 3.42Å
626	M	96.8	Very high	96.1	Very high	21 Å²	21	59.1 Å²	59.1	10%	0.103	29%	0.292	C	S	.	.	H	α-helix	trans	-62.3	-41.2	178.6	-171.6	177.9	58	0	0	112.8	Y622 Q624 E628 W629 K630 N839	Y622-M626 VanDerWaalsContact O-CB 3.28Å; Y622-M626 WeakPolarHBondContact O-CB 3.17Å; Y622-M626 PolarHBondContact O-N 3.08Å; Q624-M626 VanDerWaalsContact C-N 3.26Å; Q624-M626 PolarHBondContact O-N 2.97Å; M626-E628 VanDerWaalsContact C-N 3.33Å; M626-W629 HydrophobicContact CG-CZ2 4.05Å; M626-K630 HydrophobicContact CG-CD 3.86Å; M626-K630 HydrophobicContact CG-CG 4.3Å; M626-K630 VanDerWaalsContact O-CB 3.25Å; M626-K630 WeakPolarHBondContact O-CB 3.34Å; M626-K630 VanDerWaalsContact O-CG 3.24Å; M626-K630 WeakPolarHBondContact O-CG 3.24Å; M626-K630 PolarHBondContact O-N 3.44Å; M626-K630 VanDerWaalsContact O-N 3.08Å; M626-K630 HydrophobicContact SD-CD 4.45Å; M626-K630 PolarHBondContact SD-NZ 2.96Å; M626-K630 VanDerWaalsContact SD-NZ 3.45Å; M626-N839 HydrophobicContact SD-CB 4.35Å
627	R	96.4	Very high	95.8	Very high	151 Å²	151	61.5 Å²	61.5	57%	0.57	29%	0.291	S	S	*	.	H	α-helix	trans	-63.8	-39.8	175.2	-77.7	-177.7	-71.5	138.5	-3.6	111.9	Q623 Q624 V625 A631	Q623-R627 WeakPolarHBondContact O-CG 3.4Å; Q623-R627 PolarHBondContact O-N 3.24Å; Q623-R627 PolarHBondContact O-NE 2.82Å; Q624-R627 PolarHBondContact O-N 3.46Å; Q624-R627 VanDerWaalsContact O-N 3.12Å; Q624-R627 VanDerWaalsContact OE1-CZ 3.24Å; V625-R627 PolarHBondContact O-N 3.33Å; R627-A631 WeakPolarHBondContact O-CB 3.48Å; R627-A631 PolarHBondContact O-N 2.71Å
628	E	94.6	Very high	95.5	Very high	67 Å²	67	58.6 Å²	58.6	31%	0.313	28%	0.28	S	S	.	.	H	α-helix	trans	-63.9	-53.7	179.7	-69.5	171.1	-167.8	0	0	112.2	Q624 V625 M626 K630 A631 C632 W846	Q624-E628 WeakPolarHBondContact CG-OE1 3.39Å; Q624-E628 PolarHBondContact NE2-OE1 3.14Å; Q624-E628 WeakPolarHBondContact O-CG 3.46Å; Q624-E628 PolarHBondContact O-N 2.81Å; Q624-E628 VanDerWaalsContact O-N 3.07Å; V625-E628 WeakPolarHBondContact O-CB 3.32Å; V625-E628 PolarHBondContact O-N 2.81Å; M626-E628 VanDerWaalsContact C-N 3.33Å; E628-K630 PolarHBondContact O-N 3.36Å; E628-A631 PolarHBondContact O-N 3.21Å; E628-C632 PolarHBondContact O-N 2.99Å; E628-C632 VanDerWaalsContact O-N 3.1Å; E628-W846 HydrophobicContact CB-CZ2 4.21Å; E628-W846 PolarHBondContact OE2-NE1 3.2Å
629	W	95.9	Very high	95.1	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.015	29%	0.289	C	S	.	.	H	α-helix	trans	-71.6	-32.1	-177.1	76	-109.4	0	0	0	112.4	V625 M626 C632 E633 L812 N839 C842 S843 W846	V625-W629 PolarHBondContact O-N 2.88Å; M626-W629 HydrophobicContact CG-CZ2 4.05Å; W629-C632 WeakPolarHBondContact O-CB 3.49Å; W629-C632 PolarHBondContact O-N 3.44Å; W629-E633 HydrophobicContact CE3-CB 4.4Å; W629-E633 VanDerWaalsContact CZ3-OE2 3.24Å; W629-E633 WeakPolarHBondContact CZ3-OE2 3.21Å; W629-E633 WeakPolarHBondContact O-CB 3.35Å; W629-E633 PolarHBondContact O-N 3.37Å; W629-L812 HydrophobicContact CE3-CD2 4.34Å; W629-L812 HydrophobicContact CZ3-CD2 4.32Å; W629-N839 HydrophobicContact CZ2-CB 4.4Å; W629-C842 HydrophobicContact CD2-CB 3.65Å; W629-C842 VanDerWaalsContact CE2-CB 3.46Å; W629-C842 HydrophobicContact CE3-CB 3.79Å; W629-C842 HydrophobicContact CG-CB 4.35Å; W629-C842 HydrophobicContact CH2-CB 3.73Å; W629-C842 HydrophobicContact CZ2-CB 3.56Å; W629-C842 HydrophobicContact CZ3-CB 3.81Å; W629-S843 PolarHBondContact NE1-OG 2.87Å; W629-W846 HydrophobicContact CB-CB 3.94Å; W629-W846 HydrophobicContact CB-CD2 3.51Å; W629-W846 HydrophobicContact CB-CE3 3.53Å; W629-W846 HydrophobicContact CB-CG 3.69Å; W629-W846 HydrophobicContact CB-CZ3 4.21Å; W629-W846 HydrophobicContact CG-CB 4.47Å
630	K	96.6	Very high	94.6	Very high	76 Å²	76	63.1 Å²	63.1	33%	0.33	29%	0.291	S	S	.	.	H	α-helix	trans	-65.5	-38.3	173.4	-75.2	-175.3	176.8	-177.4	0	112	M626 E628 C632 E633 V634 N839	M626-K630 HydrophobicContact CG-CD 3.86Å; M626-K630 HydrophobicContact CG-CG 4.3Å; M626-K630 VanDerWaalsContact O-CB 3.25Å; M626-K630 WeakPolarHBondContact O-CB 3.34Å; M626-K630 VanDerWaalsContact O-CG 3.24Å; M626-K630 WeakPolarHBondContact O-CG 3.24Å; M626-K630 PolarHBondContact O-N 3.44Å; M626-K630 VanDerWaalsContact O-N 3.08Å; M626-K630 HydrophobicContact SD-CD 4.45Å; M626-K630 PolarHBondContact SD-NZ 2.96Å; M626-K630 VanDerWaalsContact SD-NZ 3.45Å; E628-K630 PolarHBondContact O-N 3.36Å; K630-C632 VanDerWaalsContact C-N 3.33Å; K630-E633 PolarHBondContact O-N 2.79Å; K630-V634 WeakPolarHBondContact O-CG2 3.03Å; K630-V634 PolarHBondContact O-N 2.82Å; K630-N839 WeakPolarHBondContact CE-OD1 3.49Å; K630-N839 PolarHBondContact NZ-OD1 2.86Å
631	A	94	Very high	94.2	Very high	52 Å²	52	62.5 Å²	62.5	43%	0.43	29%	0.287	S	S	.	.	H	α-helix	trans	-63	-41.6	173.2	0	0	0	0	0	111.5	R627 E628 V634	R627-A631 WeakPolarHBondContact O-CB 3.48Å; R627-A631 PolarHBondContact O-N 2.71Å; E628-A631 PolarHBondContact O-N 3.21Å; A631-V634 PolarHBondContact O-N 3.35Å
632	C	94	Very high	93.8	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65.3	-40.6	175	-168.6	0	0	0	0	112.4	E628 W629 K630 V634 I635 V636 W846	E628-C632 PolarHBondContact O-N 2.99Å; E628-C632 VanDerWaalsContact O-N 3.1Å; W629-C632 WeakPolarHBondContact O-CB 3.49Å; W629-C632 PolarHBondContact O-N 3.44Å; K630-C632 VanDerWaalsContact C-N 3.33Å; C632-V634 VanDerWaalsContact C-N 3.3Å; C632-V634 PolarHBondContact O-N 3.34Å; C632-I635 WeakPolarHBondContact O-CB 3.46Å; C632-I635 PolarHBondContact O-N 3.45Å; C632-V636 PolarHBondContact O-N 3.1Å; C632-W846 HydrophobicContact CB-CH2 3.54Å; C632-W846 HydrophobicContact CB-CZ3 3.64Å
633	E	95	Very high	93.1	Very high	16 Å²	16	66.1 Å²	66.1	8%	0.075	31%	0.311	C	S	.	.	H	α-helix	trans	-57.6	-40.4	176.8	175.1	177.8	-155.3	0	0	112.1	W629 K630 I635 V636 K637 L812 R838	W629-E633 HydrophobicContact CE3-CB 4.4Å; W629-E633 VanDerWaalsContact CZ3-OE2 3.24Å; W629-E633 WeakPolarHBondContact CZ3-OE2 3.21Å; W629-E633 WeakPolarHBondContact O-CB 3.35Å; W629-E633 PolarHBondContact O-N 3.37Å; K630-E633 PolarHBondContact O-N 2.79Å; E633-I635 VanDerWaalsContact C-N 3.3Å; E633-I635 PolarHBondContact O-N 2.89Å; E633-V636 PolarHBondContact O-N 3.43Å; E633-K637 HydrophobicContact CG-CD 3.98Å; E633-K637 HydrophobicContact CG-CG 4.36Å; E633-K637 WeakPolarHBondContact O-CB 3.38Å; E633-K637 WeakPolarHBondContact O-CG 3.21Å; E633-K637 PolarHBondContact O-N 3.1Å; E633-K637 VanDerWaalsContact OE1-CE 3.24Å; E633-K637 WeakPolarHBondContact OE1-CE 3.4Å; E633-K637 IonicContact OE1-NZ 3.8Å; E633-K637 PolarHBondContact OE1-NZ 2.63Å; E633-L812 HydrophobicContact CB-CD1 4Å; E633-L812 HydrophobicContact CG-CD1 3.94Å; E633-R838 IonicContact OE1-CZ 2.75Å; E633-R838 IonicContact OE1-NH1 2.62Å; E633-R838 PolarHBondContact OE1-NH1 2.82Å; E633-R838 IonicContact OE1-NH2 3.35Å; E633-R838 PolarHBondContact OE1-NH2 2.9Å; E633-R838 IonicContact OE2-NH1 3.1Å; E633-R838 PolarHBondContact OE2-NH1 2.86Å; E633-R838 IonicContact OE2-NH2 3.32Å
634	V	95.3	Very high	92.5	Very high	83 Å²	83	68.4 Å²	68.4	50%	0.503	32%	0.321	S	S	.	.	H	α-helix	trans	-60.3	-42.2	175.9	174	0	0	0	0	111	K630 A631 C632 Q638	K630-V634 WeakPolarHBondContact O-CG2 3.03Å; K630-V634 PolarHBondContact O-N 2.82Å; A631-V634 PolarHBondContact O-N 3.35Å; C632-V634 VanDerWaalsContact C-N 3.3Å; C632-V634 PolarHBondContact O-N 3.34Å; V634-Q638 WeakPolarHBondContact O-CB 3.19Å; V634-Q638 PolarHBondContact O-N 3.37Å
635	I	93.5	Very high	91.9	Very high	24 Å²	24	68 Å²	68	12%	0.123	33%	0.327	C	S	.	.	H	α-helix	trans	-65.4	-43.9	177.7	-59.4	170.5	0	0	0	110.4	C632 E633 Q638 R639 L797 Y800 L805	C632-I635 WeakPolarHBondContact O-CB 3.46Å; C632-I635 PolarHBondContact O-N 3.45Å; E633-I635 VanDerWaalsContact C-N 3.3Å; E633-I635 PolarHBondContact O-N 2.89Å; I635-Q638 PolarHBondContact O-N 2.69Å; I635-R639 WeakPolarHBondContact O-CB 3.48Å; I635-R639 PolarHBondContact O-N 3.31Å; I635-L797 HydrophobicContact CG2-CG 4.38Å; I635-Y800 HydrophobicContact CD1-CD2 3.94Å; I635-Y800 HydrophobicContact CD1-CE2 3.98Å; I635-L805 HydrophobicContact CG2-CD1 4.23Å; I635-L805 HydrophobicContact CG2-CD2 4.09Å
636	V	92.7	Very high	91.1	Very high	8 Å²	8	69.8 Å²	69.8	5%	0.048	34%	0.342	C	S	.	.	H	α-helix	trans	-60	-51.2	177	168.1	0	0	0	0	111.1	C632 E633 Q638 R639 E640 L805 V808 A809	C632-V636 PolarHBondContact O-N 3.1Å; E633-V636 PolarHBondContact O-N 3.43Å; V636-Q638 VanDerWaalsContact C-N 3.32Å; V636-Q638 PolarHBondContact O-N 3.29Å; V636-R639 PolarHBondContact O-N 2.82Å; V636-R639 VanDerWaalsContact O-N 3.15Å; V636-E640 WeakPolarHBondContact O-CG 3.34Å; V636-E640 PolarHBondContact O-N 2.77Å; V636-L805 HydrophobicContact CG2-CD2 4.11Å; V636-V808 HydrophobicContact CG2-CG1 4.28Å; V636-A809 HydrophobicContact CG1-CB 3.48Å; V636-A809 VanDerWaalsContact CG1-CB 3.48Å; V636-A809 HydrophobicContact CG2-CB 4.46Å
637	K	91.1	Very high	90.2	Very high	112 Å²	112	71.9 Å²	71.9	49%	0.487	35%	0.353	S	S	.	.	H	α-helix	trans	-61.2	-39.5	179.6	-77.4	177.4	167.5	165.5	0	112.3	E633 E640 K641	E633-K637 HydrophobicContact CG-CD 3.98Å; E633-K637 HydrophobicContact CG-CG 4.36Å; E633-K637 WeakPolarHBondContact O-CB 3.38Å; E633-K637 WeakPolarHBondContact O-CG 3.21Å; E633-K637 PolarHBondContact O-N 3.1Å; E633-K637 VanDerWaalsContact OE1-CE 3.24Å; E633-K637 WeakPolarHBondContact OE1-CE 3.4Å; E633-K637 IonicContact OE1-NZ 3.8Å; E633-K637 PolarHBondContact OE1-NZ 2.63Å; K637-E640 PolarHBondContact O-N 3.08Å; K637-K641 WeakPolarHBondContact O-CB 3.14Å; K637-K641 PolarHBondContact O-N 2.83Å
638	Q	90.7	Very high	89.5	Confident	92 Å²	92	72 Å²	72	43%	0.43	36%	0.358	S	S	.	.	H	α-helix	trans	-63	-45.1	175.4	-178.4	58.4	32.9	0	0	111.2	V634 I635 V636 K641 E642	V634-Q638 WeakPolarHBondContact O-CB 3.19Å; V634-Q638 PolarHBondContact O-N 3.37Å; I635-Q638 PolarHBondContact O-N 2.69Å; V636-Q638 VanDerWaalsContact C-N 3.32Å; V636-Q638 PolarHBondContact O-N 3.29Å; Q638-K641 PolarHBondContact O-N 3.28Å; Q638-E642 PolarHBondContact NE2-OE1 3.46Å; Q638-E642 WeakPolarHBondContact O-CG 3.31Å; Q638-E642 PolarHBondContact O-N 3.3Å
639	R	88.1	Confident	88.7	Confident	97 Å²	97	71.2 Å²	71.2	37%	0.366	36%	0.363	S	S	.	.	H	α-helix	trans	-64	-40.5	177.5	-177.7	175.1	176.7	-109	13.7	112.5	I635 V636 E642 M643 D806	I635-R639 WeakPolarHBondContact O-CB 3.48Å; I635-R639 PolarHBondContact O-N 3.31Å; V636-R639 PolarHBondContact O-N 2.82Å; V636-R639 VanDerWaalsContact O-N 3.15Å; R639-E642 PolarHBondContact O-N 2.87Å; R639-M643 VanDerWaalsContact O-CB 3.29Å; R639-M643 WeakPolarHBondContact O-CB 3.21Å; R639-M643 PolarHBondContact O-N 3.49Å; R639-D806 IonicContact CZ-OD1 2.73Å; R639-D806 IonicContact NH1-OD1 2.67Å; R639-D806 PolarHBondContact NH1-OD1 2.97Å; R639-D806 IonicContact NH2-OD1 3.55Å; R639-D806 PolarHBondContact NH2-OD1 3.47Å
640	E	87.6	Confident	87.8	Confident	74 Å²	74	77.2 Å²	77.2	35%	0.346	39%	0.389	S	S	.	.	H	α-helix	trans	-62.9	-43.4	175.4	-74.2	177.2	171.2	0	0	111.6	V636 K637 M643 Q644	V636-E640 WeakPolarHBondContact O-CG 3.34Å; V636-E640 PolarHBondContact O-N 2.77Å; K637-E640 PolarHBondContact O-N 3.08Å; E640-M643 PolarHBondContact O-N 3.24Å; E640-Q644 WeakPolarHBondContact O-CB 3.46Å; E640-Q644 VanDerWaalsContact O-CG 3.26Å; E640-Q644 WeakPolarHBondContact O-CG 3.41Å; E640-Q644 PolarHBondContact O-N 2.83Å
641	K	89.6	Confident	86.7	Confident	133 Å²	133	78.5 Å²	78.5	58%	0.578	40%	0.399	S	S	*	.	H	α-helix	trans	-63.2	-42.6	176.1	-174.5	179.2	179.5	-179.6	0	112.1	K637 Q638 S645	K637-K641 WeakPolarHBondContact O-CB 3.14Å; K637-K641 PolarHBondContact O-N 2.83Å; Q638-K641 PolarHBondContact O-N 3.28Å; K641-S645 VanDerWaalsContact O-CB 3.29Å; K641-S645 WeakPolarHBondContact O-CB 3.47Å; K641-S645 PolarHBondContact O-N 3.21Å; K641-S645 PolarHBondContact O-OG 2.83Å
642	E	88.5	Confident	85.6	Confident	112 Å²	112	80.6 Å²	80.6	52%	0.523	41%	0.411	S	S	.	.	H	α-helix	trans	-64.1	-42.5	174.9	-74.8	172.8	-168.6	0	0	111.6	Q638 R639 S645 A646	Q638-E642 PolarHBondContact NE2-OE1 3.46Å; Q638-E642 WeakPolarHBondContact O-CG 3.31Å; Q638-E642 PolarHBondContact O-N 3.3Å; R639-E642 PolarHBondContact O-N 2.87Å; E642-S645 PolarHBondContact O-N 2.79Å; E642-A646 VanDerWaalsContact O-CB 3.3Å; E642-A646 WeakPolarHBondContact O-CB 3.49Å; E642-A646 PolarHBondContact O-N 3.5Å
643	M	83	Confident	84.4	Confident	104 Å²	104	85.1 Å²	85.1	51%	0.512	44%	0.443	S	S	.	.	H	α-helix	trans	-63.2	-46.9	176.1	-175.7	176.1	74.1	0	0	111.5	R639 E640 S645 A646 I647	R639-M643 VanDerWaalsContact O-CB 3.29Å; R639-M643 WeakPolarHBondContact O-CB 3.21Å; R639-M643 PolarHBondContact O-N 3.49Å; E640-M643 PolarHBondContact O-N 3.24Å; M643-S645 VanDerWaalsContact C-N 3.34Å; M643-S645 PolarHBondContact O-N 3.37Å; M643-A646 PolarHBondContact O-N 2.79Å; M643-I647 HydrophobicContact CG-CD1 4.03Å; M643-I647 VanDerWaalsContact O-CG1 3.27Å; M643-I647 WeakPolarHBondContact O-CG1 3.24Å; M643-I647 PolarHBondContact O-N 2.93Å
644	Q	84.1	Confident	82.3	Confident	128 Å²	128	87.9 Å²	87.9	60%	0.598	48%	0.476	S	S	*	.	H	α-helix	trans	-61.1	-43.6	176.1	-74.3	172.9	5.2	0	0	111.3	E640 A646 I647 F648	E640-Q644 WeakPolarHBondContact O-CB 3.46Å; E640-Q644 VanDerWaalsContact O-CG 3.26Å; E640-Q644 WeakPolarHBondContact O-CG 3.41Å; E640-Q644 PolarHBondContact O-N 2.83Å; Q644-A646 PolarHBondContact O-N 3.37Å; Q644-I647 PolarHBondContact O-N 2.8Å; Q644-F648 WeakPolarHBondContact O-CB 3.4Å; Q644-F648 PolarHBondContact O-N 3.31Å
645	S	86.2	Confident	80.3	Confident	67 Å²	67	88.2 Å²	88.2	47%	0.469	48%	0.482	S	S	.	.	H	α-helix	trans	-63.5	-40.3	176.4	-57.8	0	0	0	0	111.7	K641 E642 M643 F648 A649	K641-S645 VanDerWaalsContact O-CB 3.29Å; K641-S645 WeakPolarHBondContact O-CB 3.47Å; K641-S645 PolarHBondContact O-N 3.21Å; K641-S645 PolarHBondContact O-OG 2.83Å; E642-S645 PolarHBondContact O-N 2.79Å; M643-S645 VanDerWaalsContact C-N 3.34Å; M643-S645 PolarHBondContact O-N 3.37Å; S645-F648 PolarHBondContact O-N 2.87Å; S645-A649 WeakPolarHBondContact O-CB 3.17Å; S645-A649 PolarHBondContact O-N 2.94Å
646	A	79.9	Confident	78	Confident	45 Å²	45	92.7 Å²	92.7	37%	0.372	52%	0.515	S	S	.	.	H	α-helix	trans	-67.9	-36.5	176.5	0	0	0	0	0	112.6	E642 M643 Q644 K650	E642-A646 VanDerWaalsContact O-CB 3.3Å; E642-A646 WeakPolarHBondContact O-CB 3.49Å; E642-A646 PolarHBondContact O-N 3.5Å; M643-A646 PolarHBondContact O-N 2.79Å; Q644-A646 PolarHBondContact O-N 3.37Å; A646-K650 WeakPolarHBondContact O-CB 3.36Å; A646-K650 VanDerWaalsContact O-CG 3.28Å; A646-K650 WeakPolarHBondContact O-CG 3.34Å; A646-K650 PolarHBondContact O-N 3.25Å; A646-K650 VanDerWaalsContact O-N 3.1Å
647	I	78.3	Confident	76	Confident	65 Å²	65	95.1 Å²	95.1	33%	0.333	53%	0.527	S	S	.	.	H	α-helix	trans	-65.4	-47.5	173.2	-69.7	165.1	0	0	0	109.9	M643 Q644 A649 K650 L651	M643-I647 HydrophobicContact CG-CD1 4.03Å; M643-I647 VanDerWaalsContact O-CG1 3.27Å; M643-I647 WeakPolarHBondContact O-CG1 3.24Å; M643-I647 PolarHBondContact O-N 2.93Å; Q644-I647 PolarHBondContact O-N 2.8Å; I647-A649 PolarHBondContact O-N 2.89Å; I647-K650 PolarHBondContact O-N 3.35Å; I647-L651 HydrophobicContact CG2-CD1 3.76Å; I647-L651 HydrophobicContact CG2-CG 4.48Å; I647-L651 WeakPolarHBondContact O-CG 3.26Å; I647-L651 PolarHBondContact O-N 3.12Å
648	F	79.9	Confident	73.8	Confident	153 Å²	153	94.6 Å²	94.6	67%	0.671	53%	0.53	S	S	*	.	H	α-helix	trans	-60.9	-44.1	178	-172.8	-96.2	0	0	0	112.1	Q644 S645 K650 L651 S652	Q644-F648 WeakPolarHBondContact O-CB 3.4Å; Q644-F648 PolarHBondContact O-N 3.31Å; S645-F648 PolarHBondContact O-N 2.87Å; F648-K650 VanDerWaalsContact C-N 3.33Å; F648-K650 PolarHBondContact O-N 3.38Å; F648-L651 PolarHBondContact O-N 3.24Å; F648-S652 WeakPolarHBondContact O-CB 3.39Å; F648-S652 PolarHBondContact O-N 3.45Å
649	A	79.1	Confident	71.5	Confident	51 Å²	51	93.2 Å²	93.2	42%	0.421	53%	0.53	S	S	.	.	H	α-helix	trans	-62.7	-37.1	176.1	0	0	0	0	0	112.9	S645 I647 S653	S645-A649 WeakPolarHBondContact O-CB 3.17Å; S645-A649 PolarHBondContact O-N 2.94Å; I647-A649 PolarHBondContact O-N 2.89Å; A649-S653 WeakPolarHBondContact O-CB 3.38Å; A649-S653 PolarHBondContact O-N 3.09Å; A649-S653 PolarHBondContact O-OG 3.36Å
650	K	77	Confident	69.5	Low	129 Å²	129	93.6 Å²	93.6	56%	0.561	54%	0.536	S	S	*	.	H	α-helix	trans	-70.2	-39.5	175.7	-76.7	174.7	-178.8	177.2	0	112.5	A646 I647 F648 S653	A646-K650 WeakPolarHBondContact O-CB 3.36Å; A646-K650 VanDerWaalsContact O-CG 3.28Å; A646-K650 WeakPolarHBondContact O-CG 3.34Å; A646-K650 PolarHBondContact O-N 3.25Å; A646-K650 VanDerWaalsContact O-N 3.1Å; I647-K650 PolarHBondContact O-N 3.35Å; F648-K650 VanDerWaalsContact C-N 3.33Å; F648-K650 PolarHBondContact O-N 3.38Å; K650-S653 PolarHBondContact O-N 3.49Å
651	L	72.7	Confident	67.6	Low	103 Å²	103	93.5 Å²	93.5	54%	0.539	54%	0.54	S	S	.	.	H	α-helix	trans	-65	-39.7	174.4	-75.2	163.3	0	0	0	111.7	I647 F648 S653 I657	I647-L651 HydrophobicContact CG2-CD1 3.76Å; I647-L651 HydrophobicContact CG2-CG 4.48Å; I647-L651 WeakPolarHBondContact O-CG 3.26Å; I647-L651 PolarHBondContact O-N 3.12Å; F648-L651 PolarHBondContact O-N 3.24Å; L651-S653 VanDerWaalsContact C-N 3.3Å; L651-S653 PolarHBondContact O-N 2.81Å; L651-I657 HydrophobicContact CD2-CD1 3.24Å; L651-I657 HydrophobicContact CG-CD1 3.84Å
652	S	71.8	Confident	65.4	Low	97 Å²	97	91.5 Å²	91.5	68%	0.678	54%	0.535	S	S	*	.	H	α-helix	trans	-72.7	-19.1	178.2	-168.3	0	0	0	0	113.8	F648 G654	F648-S652 WeakPolarHBondContact O-CB 3.39Å; F648-S652 PolarHBondContact O-N 3.45Å; S652-G654 VanDerWaalsContact C-N 3.34Å
653	S	67.9	Low	63.2	Low	95 Å²	95	92.8 Å²	92.8	66%	0.664	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	5.4	-178	-60.2	0	0	0	0	114.1	A649 K650 L651 S655	A649-S653 WeakPolarHBondContact O-CB 3.38Å; A649-S653 PolarHBondContact O-N 3.09Å; A649-S653 PolarHBondContact O-OG 3.36Å; K650-S653 PolarHBondContact O-N 3.49Å; L651-S653 VanDerWaalsContact C-N 3.3Å; L651-S653 PolarHBondContact O-N 2.81Å; S653-S655 PolarHBondContact O-N 3.27Å
654	G	51.6	Low	61.2	Low	74 Å²	74	94 Å²	94	76%	0.763	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	12.5	173.6	0	0	0	0	0	115.8	S652	S652-G654 VanDerWaalsContact C-N 3.34Å
655	S	54	Low	58.9	Low	90 Å²	90	90.7 Å²	90.7	63%	0.629	54%	0.538	S	S	*	.			trans	-81.2	129	177.2	-169.5	0	0	0	0	109.9	S653 I657	S653-S655 PolarHBondContact O-N 3.27Å; S655-I657 PolarHBondContact O-N 3.49Å
656	S	43.5	Very low	56.6	Low	117 Å²	117	93.8 Å²	93.8	82%	0.818	54%	0.544	S	S	*	.			trans	-53.4	110.4	176.1	174.9	0	0	0	0	110.1	D658	S656-D658 PolarHBondContact O-N 3.27Å
657	I	51	Low	54.5	Low	59 Å²	59	101.3 Å²	101.3	30%	0.303	56%	0.563	S	S	.	*			trans	-65.3	128	178.1	-75.7	166.8	0	0	0	109.6	L651 S655 S659 V661 L662	L651-I657 HydrophobicContact CD2-CD1 3.24Å; L651-I657 HydrophobicContact CG-CD1 3.84Å; S655-I657 PolarHBondContact O-N 3.49Å; I657-S659 PolarHBondContact O-N 3.42Å; I657-V661 HydrophobicContact CG2-CB 4.39Å; I657-L662 HydrophobicContact CB-CD1 4.38Å; I657-L662 HydrophobicContact CG2-CB 4.48Å; I657-L662 HydrophobicContact CG2-CD1 3.66Å; I657-L662 HydrophobicContact CG2-CG 4.17Å
658	D	44.5	Very low	52.4	Low	102 Å²	102	104.4 Å²	104.4	55%	0.545	58%	0.581	S	S	.	*			trans	-62.5	126.6	167.7	-175	2.7	0	0	0	109.3	S656 H660 V661	S656-D658 PolarHBondContact O-N 3.27Å; D658-H660 PolarHBondContact O-N 2.89Å; D658-H660 IonicContact OD1-CD2 3.41Å; D658-H660 PolarHBondContact OD1-N 2.96Å; D658-V661 PolarHBondContact O-N 2.79Å
659	S	43.2	Very low	50.2	Low	62 Å²	62	101.8 Å²	101.8	43%	0.434	58%	0.581	S	S	.	*	H	α-helix	trans	-55.5	-14.8	-177.8	77.3	0	0	0	0	113.9	I657 R663	I657-S659 PolarHBondContact O-N 3.42Å; S659-R663 WeakPolarHBondContact O-CB 2.98Å; S659-R663 WeakPolarHBondContact O-CG 3.48Å; S659-R663 PolarHBondContact O-N 3.21Å; S659-R663 PolarHBondContact O-NE 3.42Å; S659-R663 VanDerWaalsContact O-NE 3.14Å; S659-R663 PolarHBondContact OG-NH2 3.4Å
660	H	47	Very low	48	Very low	106 Å²	106	104.8 Å²	104.8	49%	0.491	59%	0.594	S	S	.	*	H	α-helix	trans	-75	-30.1	174.3	-83.7	-82.9	0	0	0	113.9	D658 R663 L664	D658-H660 PolarHBondContact O-N 2.89Å; D658-H660 IonicContact OD1-CD2 3.41Å; D658-H660 PolarHBondContact OD1-N 2.96Å; H660-R663 PolarHBondContact CD2-NH2 3.44Å; H660-R663 PolarHBondContact NE2-NH2 2.98Å; H660-R663 VanDerWaalsContact NE2-NH2 3.17Å; H660-L664 PolarHBondContact O-N 2.84Å
661	V	47.3	Very low	45.7	Very low	72 Å²	72	107 Å²	107	44%	0.436	61%	0.612	S	S	.	*	H	α-helix	trans	-77.5	-38.3	179.7	-179.1	0	0	0	0	111.1	I657 D658 L664 A665	I657-V661 HydrophobicContact CG2-CB 4.39Å; D658-V661 PolarHBondContact O-N 2.79Å; V661-L664 PolarHBondContact O-N 2.77Å; V661-A665 PolarHBondContact O-N 3.26Å
662	L	42.1	Very low	43.6	Very low	91 Å²	91	104.7 Å²	104.7	48%	0.476	60%	0.604	S	S	.	*	H	α-helix	trans	-67.2	-33.9	171.9	-103.6	151.8	0	0	0	112.4	I657 L664 A665 H666	I657-L662 HydrophobicContact CB-CD1 4.38Å; I657-L662 HydrophobicContact CG2-CB 4.48Å; I657-L662 HydrophobicContact CG2-CD1 3.66Å; I657-L662 HydrophobicContact CG2-CG 4.17Å; L662-L664 VanDerWaalsContact C-N 3.32Å; L662-L664 PolarHBondContact O-N 2.84Å; L662-A665 PolarHBondContact O-N 3.12Å; L662-H666 PolarHBondContact O-N 3.16Å; L662-H666 VanDerWaalsContact O-N 3.15Å
663	R	42.2	Very low	41.6	Very low	138 Å²	138	107.5 Å²	107.5	52%	0.521	61%	0.611	S	S	.	*	H	α-helix	trans	-72.2	-20.9	175.7	-85	-172.8	-80.5	163.3	-4.4	114.2	S659 H660	S659-R663 WeakPolarHBondContact O-CB 2.98Å; S659-R663 WeakPolarHBondContact O-CG 3.48Å; S659-R663 PolarHBondContact O-N 3.21Å; S659-R663 PolarHBondContact O-NE 3.42Å; S659-R663 VanDerWaalsContact O-NE 3.14Å; S659-R663 PolarHBondContact OG-NH2 3.4Å; H660-R663 PolarHBondContact CD2-NH2 3.44Å; H660-R663 PolarHBondContact NE2-NH2 2.98Å; H660-R663 VanDerWaalsContact NE2-NH2 3.17Å
664	L	41.2	Very low	39.8	Very low	130 Å²	130	110 Å²	110	68%	0.681	61%	0.612	S	S	*	*	H	α-helix	trans	-76.8	-36.9	172.8	-87	153.9	0	0	0	111.7	H660 V661 L662	H660-L664 PolarHBondContact O-N 2.84Å; V661-L664 PolarHBondContact O-N 2.77Å; L662-L664 VanDerWaalsContact C-N 3.32Å; L662-L664 PolarHBondContact O-N 2.84Å
665	A	37	Very low	38.8	Very low	59 Å²	59	111.3 Å²	111.3	49%	0.488	61%	0.605	S	S	.	*	H	α-helix	trans	-76	-28.1	176.3	0	0	0	0	0	113.8	V661 L662	V661-A665 PolarHBondContact O-N 3.26Å; L662-A665 PolarHBondContact O-N 3.12Å
666	H	37.1	Very low	37.6	Very low	131 Å²	131	112.3 Å²	112.3	61%	0.606	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-91.5	3.6	180	-89.7	-75.5	0	0	0	115	L662 D668	L662-H666 PolarHBondContact O-N 3.16Å; L662-H666 VanDerWaalsContact O-N 3.15Å; H666-D668 PolarHBondContact O-N 2.71Å
667	R	35.5	Very low	36.9	Very low	204 Å²	204	114.2 Å²	114.2	77%	0.77	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-78.3	-9.1	179.3	-134.3	-179	-179.6	-174.3	-1.2	113.5
668	D	34.7	Very low	35.8	Very low	130 Å²	130	116.8 Å²	116.8	70%	0.695	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-95.2	6.5	-171	-65.1	-34.3	0	0	0	114.9	H666	H666-D668 PolarHBondContact O-N 2.71Å
669	S	34.3	Very low	35.1	Very low	98 Å²	98	118.2 Å²	118.2	69%	0.685	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-118.9	7.6	-176.3	-46.4	0	0	0	0	116
670	T	31.8	Very low	34.4	Very low	114 Å²	114	122.6 Å²	122.6	70%	0.699	65%	0.65	S	S	*	*	S	Bend	trans	-116.5	16.6	-174.7	41.5	0	0	0	0	116.3
671	L	30.4	Very low	33.4	Very low	176 Å²	176	125.9 Å²	125.9	92%	0.921	67%	0.666	S	S	*	*			trans	-130.4	65	171.6	-65	173.9	0	0	0	111.4
672	S	27	Very low	32.5	Very low	54 Å²	54	127.9 Å²	127.9	38%	0.378	68%	0.68	S	S	.	*			trans	-132.8	100.4	161	-173.7	0	0	0	0	106.2	E674	S672-E674 PolarHBondContact O-N 3.4Å
673	N	29.7	Very low	31.7	Very low	155 Å²	155	131.3 Å²	131.3	83%	0.829	70%	0.699	S	S	*	*			trans	-65.8	104.7	168.9	-82.9	-22.8	0	0	0	107.6	V675	N673-V675 PolarHBondContact O-N 2.95Å
674	E	31.1	Very low	30.9	Very low	148 Å²	148	129 Å²	129	69%	0.692	71%	0.71	S	S	*	*			trans	-80.7	91.4	161.2	-65.9	-163.4	176.2	0	0	108.2	S672	S672-E674 PolarHBondContact O-N 3.4Å
675	V	29.9	Very low	30.1	Very low	101 Å²	101	126.4 Å²	126.4	61%	0.612	71%	0.714	S	S	*	*			trans	-123.1	129.9	151.4	-172.7	0	0	0	0	103.7	N673	N673-V675 PolarHBondContact O-N 2.95Å
676	F	30.1	Very low	29.7	Very low	112 Å²	112	129.4 Å²	129.4	49%	0.491	73%	0.731	S	S	.	*			trans	85.6	74.7	-174.5	-43.6	-65.1	0	0	0	115.1	I991 N995	F676-I991 HydrophobicContact CE1-CG2 4.02Å; F676-I991 HydrophobicContact CZ-CG2 4.18Å; F676-N995 WeakPolarHBondContact CE1-ND2 3.34Å
677	M	28.7	Very low	29.2	Very low	157 Å²	157	132.1 Å²	132.1	77%	0.773	74%	0.744	S	S	*	*			trans	-109.3	126.9	139.8	-67.3	-144	-53	0	0	108.3
678	S	27.6	Very low	28.8	Very low	113 Å²	113	131.5 Å²	131.5	79%	0.79	75%	0.75	S	S	*	*			trans	-67.5	140	171.7	45	0	0	0	0	110.5
679	V	30.3	Very low	28.3	Very low	132 Å²	132	131.4 Å²	131.4	80%	0.8	76%	0.755	S	S	*	*			trans	-77.9	120.5	170.5	-174.8	0	0	0	0	107.4
680	D	27.1	Very low	28.3	Very low	154 Å²	154	132.5 Å²	132.5	82%	0.824	76%	0.76	S	S	*	*			trans	-155.4	108.8	154.2	-92.1	-36.1	0	0	0	109.2
681	E	25.5	Very low	27.9	Very low	174 Å²	174	133.3 Å²	133.3	81%	0.813	77%	0.77	S	S	*	*			trans	-90.3	126.6	165.2	-81.9	-77.2	151.8	0	0	108.2
682	P	29.4	Very low	27.7	Very low	114 Å²	114	128 Å²	128	74%	0.74	76%	0.758	S	S	*	*			trans	-106.2	106.7	154.9	31.5	-19.3	0	0	0	109	A684	P682-A684 PolarHBondContact O-N 3.12Å
683	D	25.6	Very low	27.8	Very low	164 Å²	164	134.8 Å²	134.8	88%	0.877	78%	0.784	S	S	*	*			trans	-65.3	115.6	166.8	-167.7	12.3	0	0	0	108.9
684	A	26.1	Very low	27.7	Very low	90 Å²	90	134.1 Å²	134.1	74%	0.744	78%	0.78	S	S	*	*			trans	-126.6	96.1	178	0	0	0	0	0	110.1	P682	P682-A684 PolarHBondContact O-N 3.12Å
685	G	24.1	Very low	27.5	Very low	75 Å²	75	131.6 Å²	131.6	77%	0.773	78%	0.779	S	S	*	*			trans	15.3	111.8	149.7	0	0	0	0	0	119
686	S	27.6	Very low	27.5	Very low	121 Å²	121	132.9 Å²	132.9	85%	0.846	79%	0.787	S	S	*	*			trans	-75.1	118.2	153.1	42	0	0	0	0	110.4
687	Q	27.3	Very low	28.1	Very low	188 Å²	188	132.5 Å²	132.5	88%	0.879	80%	0.796	S	S	*	*			trans	-76.8	115.2	158.6	-95.2	-178.1	-27	0	0	108.9
688	E	25.7	Very low	27.9	Very low	191 Å²	191	131 Å²	131	89%	0.893	80%	0.795	S	S	*	*			trans	-125.5	133.2	151.4	-76.4	-167.6	162.6	0	0	108.9
689	T	26	Very low	27.8	Very low	128 Å²	128	133 Å²	133	79%	0.785	79%	0.794	S	S	*	*			trans	-102.6	173.7	178.6	61.5	0	0	0	0	110
690	P	34.1	Very low	27.5	Very low	122 Å²	122	131.8 Å²	131.8	79%	0.792	79%	0.787	S	S	*	*				-124	158.2	-100.3	27.1	-4.4	0	0	0	113.8
691	S	23.4	Very low	27.4	Very low	130 Å²	130	129.9 Å²	129.9	91%	0.909	78%	0.781	S	S	*	*			trans	-177.8	135.7	149.3	51.2	0	0	0	0	106.2
692	G	26.5	Very low	27.3	Very low	66 Å²	66	129.2 Å²	129.2	68%	0.68	78%	0.782	S	S	*	*			cis	160.5	128	2.5	0	0	0	0	0	104.7
693	E	29	Very low	27.2	Very low	196 Å²	196	128.2 Å²	128.2	92%	0.916	78%	0.784	S	S	*	*			trans	62.7	143.8	160.8	-61	177.6	171	0	0	116.5
694	D	26.5	Very low	28.5	Very low	141 Å²	141	126 Å²	126	75%	0.754	78%	0.778	S	S	*	*			cis	-167	162.4	2.6	-149.3	-26.8	0	0	0	107.6
695	S	27.4	Very low	29.2	Very low	95 Å²	95	128.3 Å²	128.3	66%	0.664	79%	0.786	S	S	*	*			trans	76.4	101.3	146	-62.6	0	0	0	0	123.1
696	T	28.9	Very low	29.3	Very low	128 Å²	128	129.4 Å²	129.4	79%	0.785	79%	0.787	S	S	*	*			trans	-31.3	-174.7	144.2	61.8	0	0	0	0	119.8
697	P	43.3	Very low	29.3	Very low	104 Å²	104	127.8 Å²	127.8	68%	0.675	78%	0.781	S	S	*	*			cis	-140.4	-165.7	-43.1	31.6	-8.2	0	0	0	114.5
698	V	25.2	Very low	29.2	Very low	125 Å²	125	125.3 Å²	125.3	76%	0.758	78%	0.779	S	S	*	*			trans	87.6	141.8	151.8	-173.5	0	0	0	0	117.1
699	M	24.8	Very low	30.1	Very low	155 Å²	155	121.6 Å²	121.6	76%	0.764	77%	0.771	S	S	*	*			cis	176.3	168.3	-15.7	-179.8	179	156.4	0	0	106.4
700	T	23.9	Very low	30.8	Very low	107 Å²	107	120.4 Å²	120.4	66%	0.656	77%	0.766	S	S	*	*			trans	93.2	101.5	148.7	-8.4	0	0	0	0	117.6
701	T	24.2	Very low	30.4	Very low	113 Å²	113	123 Å²	123	69%	0.693	77%	0.767	S	S	*	*				84.3	134.8	83.5	-37.4	0	0	0	0	115.8
702	L	24.8	Very low	30.5	Very low	160 Å²	160	125.8 Å²	125.8	84%	0.838	77%	0.766	S	S	*	*			trans	119.6	97.9	146	-72.4	158.8	0	0	0	117.6
703	A	27.8	Very low	30.5	Very low	94 Å²	94	133.9 Å²	133.9	78%	0.777	78%	0.776	S	S	*	*				38.7	154.3	120	0	0	0	0	0	123.7
704	P	52.5	Low	30.5	Very low	117 Å²	117	130.1 Å²	130.1	76%	0.76	77%	0.769	S	S	*	*			trans	-107.5	-176.2	-154.9	42.6	-32.4	0	0	0	114.5
705	P	39.8	Very low	30.4	Very low	139 Å²	139	130.8 Å²	130.8	90%	0.903	77%	0.771	S	S	*	*				-150.7	-176.7	126.5	33.4	-12.6	0	0	0	116.3
706	A	27.6	Very low	30.1	Very low	97 Å²	97	131.9 Å²	131.9	80%	0.802	77%	0.773	S	S	*	*			trans	-109.1	165.1	-158.2	0	0	0	0	0	117.5
707	A	25.9	Very low	29.8	Very low	88 Å²	88	134.5 Å²	134.5	73%	0.727	78%	0.777	S	S	*	*			trans	88	112.8	136.3	0	0	0	0	0	125.5
708	V	25.6	Very low	28.8	Very low	135 Å²	135	138.3 Å²	138.3	82%	0.818	78%	0.783	S	S	*	*				76.6	153.2	122.6	-178.2	0	0	0	0	120
709	P	44.3	Very low	28.6	Very low	113 Å²	113	139.1 Å²	139.1	73%	0.734	78%	0.783	S	S	*	*			cis	-133.3	-138.9	-46.8	43.8	-21.8	0	0	0	111.2
710	P	41.7	Very low	28.8	Very low	104 Å²	104	136.4 Å²	136.4	68%	0.675	78%	0.779	S	S	*	*			cis	-131.1	-175.8	-33.9	39.3	-20.4	0	0	0	115.6
711	E	24.2	Very low	29.8	Very low	177 Å²	177	135.8 Å²	135.8	83%	0.827	78%	0.777	S	S	*	*			trans	73.8	117.7	149	-83	179.2	167.3	0	0	123.7
712	E	25.6	Very low	29.6	Very low	188 Å²	188	135.6 Å²	135.6	88%	0.879	77%	0.772	S	S	*	*				177.1	135.3	99	-92.1	-170.7	168.6	0	0	112
713	R	27.1	Very low	30.2	Very low	236 Å²	236	133.4 Å²	133.4	89%	0.891	77%	0.77	S	S	*	*			trans	-123	153.7	163.6	-80.3	-176.2	177.6	168.2	-0.6	107.9
714	P	29	Very low	29.9	Very low	117 Å²	117	132.5 Å²	132.5	76%	0.76	77%	0.769	S	S	*	*				-130.9	129.9	125.6	6.6	15.6	0	0	0	111.8
715	L	23.8	Very low	28.9	Very low	155 Å²	155	135.1 Å²	135.1	81%	0.812	78%	0.776	S	S	*	*				72.7	127.4	83.7	-86.5	150.5	0	0	0	111.1
716	V	22.8	Very low	28.2	Very low	117 Å²	117	134.2 Å²	134.2	71%	0.709	77%	0.77	S	S	*	*			cis	-161.4	149.8	30.1	-161	0	0	0	0	104.4
717	E	21.8	Very low	28.1	Very low	183 Å²	183	134.4 Å²	134.4	86%	0.855	77%	0.766	S	S	*	*				-177.7	145.6	60.2	-158.3	154	-137.5	0	0	110.7
718	F	22.2	Very low	28.3	Very low	185 Å²	185	135 Å²	135	81%	0.811	76%	0.764	S	S	*	*			trans	-61.5	154.9	176.8	-113.1	-128.5	0	0	0	112.2
719	D	21.6	Very low	28.3	Very low	142 Å²	142	139.4 Å²	139.4	76%	0.759	77%	0.767	S	S	*	*				-169.5	135.6	73.9	-114.3	-28.2	0	0	0	111.8
720	S	28.9	Very low	27.5	Very low	97 Å²	97	141.4 Å²	141.4	68%	0.678	77%	0.771	S	S	*	*			trans	-90.7	-171.5	149.2	-62.3	0	0	0	0	107.9
721	P	44.3	Very low	26.6	Very low	95 Å²	95	147.2 Å²	147.2	62%	0.617	78%	0.781	S	S	*	*			cis	-137.2	-177.6	-7.6	27.5	-2.4	0	0	0	113.8
722	D	20.5	Very low	26.6	Very low	109 Å²	109	143.6 Å²	143.6	58%	0.583	78%	0.775	S	S	*	*			trans	133.3	116.8	135.3	-150.5	14.1	0	0	0	116.2
723	S	36.6	Very low	26.5	Very low	114 Å²	114	140.9 Å²	140.9	80%	0.797	77%	0.771	S	S	*	*			trans	23.1	125.8	151.9	-48.9	0	0	0	0	122.1
724	G	21.8	Very low	26.3	Very low	74 Å²	74	135.9 Å²	135.9	76%	0.763	77%	0.767	S	S	*	*			trans	177.3	105.9	154.6	0	0	0	0	0	113.9
725	L	31.2	Very low	26.1	Very low	173 Å²	173	136.1 Å²	136.1	91%	0.906	77%	0.771	S	S	*	*			trans	-55	148.3	159.2	-71.2	168.8	0	0	0	109.5
726	P	26.6	Very low	26	Very low	119 Å²	119	132.9 Å²	132.9	77%	0.773	77%	0.767	S	S	*	*				-150	151.5	86.2	35.6	-15.8	0	0	0	117
727	S	24.3	Very low	26	Very low	102 Å²	102	134.5 Å²	134.5	71%	0.713	77%	0.767	S	S	*	*			trans	31.6	121	135.7	-161	0	0	0	0	120.9
728	S	30	Very low	26.1	Very low	99 Å²	99	131.3 Å²	131.3	69%	0.692	76%	0.764	S	S	*	*			trans	49.9	108.2	137.7	69.9	0	0	0	0	118.9
729	R	26.1	Very low	26.2	Very low	229 Å²	229	130.5 Å²	130.5	86%	0.864	76%	0.763	S	S	*	*				-172.8	133.9	129.6	-108.4	166.4	173.9	172.7	-2.5	111.8
730	N	28.3	Very low	26.4	Very low	154 Å²	154	131.4 Å²	131.4	82%	0.824	77%	0.767	S	S	*	*			trans	-5.2	126.3	158.8	-57	-12.2	0	0	0	116.7
731	Y	22.3	Very low	26	Very low	227 Å²	227	135.1 Å²	135.1	89%	0.89	78%	0.778	S	S	*	*			trans	-119.6	116.6	153	-95.1	-88	0	0	0	109.9
732	S	24	Very low	25	Very low	100 Å²	100	135.4 Å²	135.4	70%	0.699	78%	0.782	S	S	*	*			trans	-95.9	171.9	147.2	-59.2	0	0	0	0	108.1
733	V	23.6	Very low	25	Very low	131 Å²	131	136 Å²	136	79%	0.794	80%	0.795	S	S	*	*			trans	84.8	121.9	168.6	-146.4	0	0	0	0	112.1
734	T	22.2	Very low	24.5	Very low	132 Å²	132	137.4 Å²	137.4	81%	0.81	79%	0.792	S	S	*	*				-156.1	136.4	53.3	39.2	0	0	0	0	112.6
735	S	26.1	Very low	24.6	Very low	121 Å²	121	141.7 Å²	141.7	85%	0.846	80%	0.797	S	S	*	*			trans	-96.9	137	156	72.7	0	0	0	0	108.8
736	A	21.6	Very low	24.5	Very low	88 Å²	88	140.6 Å²	140.6	73%	0.727	79%	0.792	S	S	*	*			trans	-157.2	137.9	154.5	0	0	0	0	0	110.8
737	H	22.7	Very low	24.4	Very low	150 Å²	150	138.7 Å²	138.7	69%	0.694	79%	0.794	S	S	*	*			trans	88.1	97.1	164.6	-74.8	-79.8	0	0	0	121
738	S	23.6	Very low	24.5	Very low	116 Å²	116	142.7 Å²	142.7	81%	0.811	80%	0.802	S	S	*	*				-174.7	99.3	103.4	-78.4	0	0	0	0	108.7
739	Q	24.6	Very low	24.2	Very low	169 Å²	169	142.7 Å²	142.7	79%	0.79	80%	0.801	S	S	*	*				54.1	102.8	91.9	-76.5	-174.3	-6.7	0	0	115.2
740	I	24.2	Very low	24.2	Very low	161 Å²	161	138.5 Å²	138.5	83%	0.826	80%	0.801	S	S	*	*			trans	-65.7	138.2	169.9	-66	159.4	0	0	0	110
741	L	21.6	Very low	24.2	Very low	175 Å²	175	140 Å²	140	92%	0.916	80%	0.804	S	S	*	*			trans	-115.5	119	152.9	-92.4	162.1	0	0	0	108.3
742	S	22.3	Very low	24.3	Very low	101 Å²	101	138.6 Å²	138.6	71%	0.706	81%	0.805	S	S	*	*			trans	-82.2	144	170.7	57.6	0	0	0	0	110.8
743	S	22.2	Very low	24.4	Very low	121 Å²	121	143.1 Å²	143.1	85%	0.846	82%	0.815	S	S	*	*			trans	-146.3	119.8	149.7	-173.2	0	0	0	0	109.9
744	I	26	Very low	24.4	Very low	143 Å²	143	140.6 Å²	140.6	73%	0.733	82%	0.816	S	S	*	*			trans	-70.1	141.6	166.7	-72.4	157.9	0	0	0	108.2
745	D	23.9	Very low	24.5	Very low	164 Å²	164	138.4 Å²	138.4	88%	0.877	82%	0.82	S	S	*	*			trans	-145.7	128.2	144.8	-156.2	23.3	0	0	0	109.7
746	D	28.9	Very low	24.5	Very low	150 Å²	150	136.3 Å²	136.3	80%	0.802	82%	0.817	S	S	*	*			trans	-91.8	137.7	177.8	-90.2	-50.4	0	0	0	109
747	G	24.7	Very low	24.7	Very low	79 Å²	79	142.9 Å²	142.9	81%	0.814	82%	0.823	S	S	*	*			trans	-152.5	119.7	175.4	0	0	0	0	0	112.8
748	Q	26.4	Very low	25	Very low	187 Å²	187	143.4 Å²	143.4	87%	0.874	83%	0.826	S	S	*	*			trans	-74.7	151.9	-164	-72.2	164.7	-16.9	0	0	116.6
749	S	24	Very low	25.1	Very low	98 Å²	98	146.6 Å²	146.6	69%	0.685	83%	0.828	S	S	*	*			trans	17.6	136.3	144.1	63	0	0	0	0	121.1
750	T	25.1	Very low	25.2	Very low	141 Å²	141	142.5 Å²	142.5	87%	0.865	83%	0.831	S	S	*	*				-174	136.6	107.8	21.7	0	0	0	0	111.3
751	E	28.3	Very low	25.2	Very low	186 Å²	186	146.2 Å²	146.2	87%	0.869	83%	0.834	S	S	*	*			trans	-68.3	149.4	164.5	-59.9	173	158.3	0	0	109.5
752	E	25.3	Very low	25.3	Very low	197 Å²	197	145.2 Å²	145.2	92%	0.921	83%	0.828	S	S	*	*			trans	-163.1	134.4	132.9	-110.6	-179.7	-160.9	0	0	112.4
753	E	25.5	Very low	26.1	Very low	195 Å²	195	145.6 Å²	145.6	91%	0.911	83%	0.828	S	S	*	*			trans	-66.7	159.1	170.3	-71.5	-178.3	120.5	0	0	112.4
754	G	23.2	Very low	26.2	Very low	79 Å²	79	146.7 Å²	146.7	81%	0.814	83%	0.829	S	S	*	*				127.1	125	125	0	0	0	0	0	117.7
755	G	25.3	Very low	26.1	Very low	86 Å²	86	143.5 Å²	143.5	89%	0.887	83%	0.832	S	S	*	*			trans	107.5	105.2	137.7	0	0	0	0	0	117.2
756	G	25.3	Very low	26	Very low	76 Å²	76	139.6 Å²	139.6	78%	0.784	83%	0.83	S	S	*	*			trans	-101.1	-168.7	177.6	0	0	0	0	0	116.2
757	R	26.5	Very low	25.9	Very low	226 Å²	226	143.4 Å²	143.4	85%	0.853	83%	0.834	S	S	*	*			trans	163.1	119.7	148.4	-96.4	173.1	170.2	174.7	-0.4	108.8
758	E	28.7	Very low	26	Very low	161 Å²	161	148.8 Å²	148.8	75%	0.752	84%	0.837	S	S	*	*				61.8	128.6	93	-85.1	-176.6	161.6	0	0	112.2
759	E	25.6	Very low	25.9	Very low	184 Å²	184	146.3 Å²	146.3	86%	0.86	83%	0.83	S	S	*	*			cis	-174.2	159.6	37.7	-117.9	178	167.3	0	0	109.6
760	G	25.5	Very low	26.1	Very low	82 Å²	82	146.2 Å²	146.2	85%	0.845	83%	0.829	S	S	*	*			trans	153.8	105.8	157	0	0	0	0	0	118.4
761	R	25.4	Very low	26.3	Very low	239 Å²	239	147.6 Å²	147.6	90%	0.902	82%	0.824	S	S	*	*			trans	-83.3	137.2	-168	-72.1	168	170.2	-174.6	-2	117.6
762	I	22.8	Very low	26.6	Very low	154 Å²	154	142.3 Å²	142.3	79%	0.79	80%	0.804	S	S	*	*				39.8	152.5	112.6	-64.7	-174	0	0	0	120.3
763	P	39	Very low	27.2	Very low	109 Å²	109	140.3 Å²	140.3	71%	0.708	80%	0.795	S	S	*	*			cis	-142.6	-177.1	13.6	22.6	4.9	0	0	0	120.2
764	V	25	Very low	27.6	Very low	144 Å²	144	136.9 Å²	136.9	87%	0.873	78%	0.783	S	S	*	*			trans	102.2	123.6	150.7	-164.4	0	0	0	0	114.6
765	G	23.4	Very low	28.1	Very low	76 Å²	76	140.1 Å²	140.1	78%	0.784	77%	0.771	S	S	*	*			cis	157.3	116.7	3	0	0	0	0	0	108.8
766	G	22.8	Very low	28.7	Very low	82 Å²	82	141.5 Å²	141.5	85%	0.845	76%	0.757	S	S	*	*			trans	177.6	112.6	177.7	0	0	0	0	0	112.2
767	R	26.5	Very low	29.2	Very low	231 Å²	231	141.6 Å²	141.6	87%	0.872	75%	0.745	S	S	*	*			trans	-77.8	125.9	-168.8	-130	175	175.5	-179.8	-2.5	112
768	Q	26.1	Very low	29.6	Very low	191 Å²	191	133.6 Å²	133.6	89%	0.893	72%	0.723	S	S	*	*			trans	-143.2	116.3	154.2	-107.7	174.8	-4.3	0	0	108	S770	Q768-S770 PolarHBondContact O-N 3.4Å; Q768-S770 VanDerWaalsContact O-N 3.14Å
769	D	25.8	Very low	29.8	Very low	135 Å²	135	131 Å²	131	72%	0.722	71%	0.711	S	S	*	*			trans	-73.6	98	-179.5	-77.8	-42.9	0	0	0	109.8
770	S	27.5	Very low	30.5	Very low	96 Å²	96	126.5 Å²	126.5	67%	0.671	69%	0.693	S	S	*	*			trans	-88.6	111.7	163	168.9	0	0	0	0	108.2	Q768 T772	Q768-S770 PolarHBondContact O-N 3.4Å; Q768-S770 VanDerWaalsContact O-N 3.14Å; S770-T772 PolarHBondContact O-N 2.9Å
771	F	28.4	Very low	31	Very low	170 Å²	170	127.8 Å²	127.8	75%	0.746	68%	0.68	S	S	*	*			trans	-82.2	95.4	168.8	-86.1	-89.9	0	0	0	108.3
772	T	35.9	Very low	31.6	Very low	75 Å²	75	124.2 Å²	124.2	46%	0.46	67%	0.671	S	S	.	*			trans	-80.5	142.6	176.2	48.6	0	0	0	0	111.9	S770 D774 R775	S770-T772 PolarHBondContact O-N 2.9Å; T772-D774 PolarHBondContact O-N 2.84Å; T772-D774 VanDerWaalsContact O-N 3.12Å; T772-R775 WeakPolarHBondContact O-CB 3.32Å; T772-R775 PolarHBondContact O-N 2.86Å
773	E	37.7	Very low	32.3	Very low	155 Å²	155	121.6 Å²	121.6	72%	0.724	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.7	-28.5	179.7	-66.9	-175.6	138.2	0	0	113.2	R775 L776 C777	E773-R775 PolarHBondContact O-N 2.74Å; E773-L776 PolarHBondContact O-N 3.48Å; E773-L776 VanDerWaalsContact O-N 3.08Å; E773-C777 PolarHBondContact O-N 3.43Å; E773-C777 VanDerWaalsContact O-N 3.11Å
774	D	33	Very low	32.3	Very low	124 Å²	124	120.7 Å²	120.7	66%	0.663	65%	0.651	S	S	*	*	H	α-helix	trans	-62.3	-26.4	176.3	-64	-36.7	0	0	0	113.6	T772 S778	T772-D774 PolarHBondContact O-N 2.84Å; T772-D774 VanDerWaalsContact O-N 3.12Å; D774-S778 WeakPolarHBondContact O-CB 3.32Å; D774-S778 PolarHBondContact O-N 2.79Å; D774-S778 PolarHBondContact O-OG 3.4Å
775	R	34.6	Very low	32.9	Very low	147 Å²	147	119.7 Å²	119.7	56%	0.555	65%	0.645	S	S	*	*	H	α-helix	trans	-76.8	-24.8	178	-158.9	174.6	-179.3	-170.8	-0.1	112.3	T772 E773 S778 Q779	T772-R775 WeakPolarHBondContact O-CB 3.32Å; T772-R775 PolarHBondContact O-N 2.86Å; E773-R775 PolarHBondContact O-N 2.74Å; R775-S778 WeakPolarHBondContact CA-OG 3.35Å; R775-S778 PolarHBondContact O-OG 3.34Å; R775-Q779 WeakPolarHBondContact O-CB 3.03Å; R775-Q779 VanDerWaalsContact O-CG 3.27Å; R775-Q779 WeakPolarHBondContact O-CG 3.19Å; R775-Q779 PolarHBondContact O-N 3.45Å
776	L	37.4	Very low	33.5	Very low	115 Å²	115	118.9 Å²	118.9	60%	0.602	63%	0.627	S	S	*	*	H	α-helix	trans	-81.7	-40.2	172.7	-75.8	167.2	0	0	0	111	E773 S778 Q779 L780	E773-L776 PolarHBondContact O-N 3.48Å; E773-L776 VanDerWaalsContact O-N 3.08Å; L776-S778 PolarHBondContact O-N 2.81Å; L776-Q779 PolarHBondContact O-N 3.41Å; L776-L780 PolarHBondContact O-N 3.38Å
777	C	35.7	Very low	34.1	Very low	78 Å²	78	118.5 Å²	118.5	53%	0.527	62%	0.623	S	S	.	*	H	α-helix	trans	-60.9	-42.5	172.1	-80.1	0	0	0	0	112.3	E773 Q779 L780 D781	E773-C777 PolarHBondContact O-N 3.43Å; E773-C777 VanDerWaalsContact O-N 3.11Å; C777-Q779 PolarHBondContact O-N 2.76Å; C777-L780 PolarHBondContact O-N 3.01Å; C777-D781 PolarHBondContact O-N 2.97Å
778	S	34.1	Very low	34.5	Very low	57 Å²	57	111 Å²	111	40%	0.399	61%	0.611	S	S	.	*	H	α-helix	trans	-74	-23.6	177.3	54.6	0	0	0	0	114.4	D774 R775 L776 K782	D774-S778 WeakPolarHBondContact O-CB 3.32Å; D774-S778 PolarHBondContact O-N 2.79Å; D774-S778 PolarHBondContact O-OG 3.4Å; R775-S778 WeakPolarHBondContact CA-OG 3.35Å; R775-S778 PolarHBondContact O-OG 3.34Å; L776-S778 PolarHBondContact O-N 2.81Å; S778-K782 WeakPolarHBondContact O-CG 3.03Å; S778-K782 PolarHBondContact O-N 2.79Å
779	Q	34.1	Very low	35	Very low	107 Å²	107	102.5 Å²	102.5	50%	0.5	57%	0.574	S	S	.	*	H	α-helix	trans	-75.4	-35.4	168.7	-80.9	-177.6	-9.1	0	0	111.8	R775 L776 C777 L783	R775-Q779 WeakPolarHBondContact O-CB 3.03Å; R775-Q779 VanDerWaalsContact O-CG 3.27Å; R775-Q779 WeakPolarHBondContact O-CG 3.19Å; R775-Q779 PolarHBondContact O-N 3.45Å; L776-Q779 PolarHBondContact O-N 3.41Å; C777-Q779 PolarHBondContact O-N 2.76Å; Q779-L783 WeakPolarHBondContact O-CD1 3.45Å; Q779-L783 PolarHBondContact O-N 3.02Å
780	L	39.8	Very low	35.5	Very low	90 Å²	90	101.2 Å²	101.2	47%	0.471	57%	0.57	S	S	.	*	H	α-helix	trans	-67.5	-42	172.3	-116.3	75	0	0	0	112	L776 C777 K782 L783 V784	L776-L780 PolarHBondContact O-N 3.38Å; C777-L780 PolarHBondContact O-N 3.01Å; L780-K782 VanDerWaalsContact C-N 3.31Å; L780-K782 PolarHBondContact O-N 2.65Å; L780-L783 CarbonylContact O-C 3.56Å; L780-L783 WeakPolarHBondContact O-CA 3.08Å; L780-L783 WeakPolarHBondContact O-CB 3.37Å; L780-L783 PolarHBondContact O-N 3.25Å; L780-V784 VanDerWaalsContact O-CG2 3.3Å; L780-V784 WeakPolarHBondContact O-CG2 3.16Å; L780-V784 PolarHBondContact O-N 3.14Å
781	D	37	Very low	36	Very low	109 Å²	109	104.2 Å²	104.2	58%	0.583	57%	0.574	S	S	*	*	H	α-helix	trans	-63.9	-36.7	177.1	-84.1	-18.5	0	0	0	112.2	C777 L783 V784 T785	C777-D781 PolarHBondContact O-N 2.97Å; D781-L783 VanDerWaalsContact C-N 3.29Å; D781-L783 PolarHBondContact O-N 3.44Å; D781-V784 PolarHBondContact O-N 3.25Å; D781-T785 PolarHBondContact O-N 3.06Å; D781-T785 PolarHBondContact O-OG1 2.92Å; D781-T785 VanDerWaalsContact O-OG1 3.07Å
782	K	37	Very low	36.5	Very low	163 Å²	163	99 Å²	99	71%	0.709	56%	0.563	S	S	*	*	H	α-helix	trans	-65.6	-31.4	172.6	-78.2	179.9	179.6	178.8	0	112.8	S778 L780 T785	S778-K782 WeakPolarHBondContact O-CG 3.03Å; S778-K782 PolarHBondContact O-N 2.79Å; L780-K782 VanDerWaalsContact C-N 3.31Å; L780-K782 PolarHBondContact O-N 2.65Å; K782-T785 PolarHBondContact O-OG1 2.9Å; K782-T785 VanDerWaalsContact O-OG1 3.08Å
783	L	37.7	Very low	36.8	Very low	99 Å²	99	99.9 Å²	99.9	52%	0.518	56%	0.563	S	S	.	*	H	α-helix	trans	-74	-34.8	173.2	-86.5	150.9	0	0	0	112.1	Q779 L780 D781 S786 A789	Q779-L783 WeakPolarHBondContact O-CD1 3.45Å; Q779-L783 PolarHBondContact O-N 3.02Å; L780-L783 CarbonylContact O-C 3.56Å; L780-L783 WeakPolarHBondContact O-CA 3.08Å; L780-L783 WeakPolarHBondContact O-CB 3.37Å; L780-L783 PolarHBondContact O-N 3.25Å; D781-L783 VanDerWaalsContact C-N 3.29Å; D781-L783 PolarHBondContact O-N 3.44Å; L783-S786 PolarHBondContact O-N 2.97Å; L783-S786 PolarHBondContact O-OG 3.45Å; L783-A789 VanDerWaalsContact O-CB 3.28Å; L783-A789 WeakPolarHBondContact O-CB 3.24Å
784	V	39	Very low	37	Very low	91 Å²	91	96.2 Å²	96.2	55%	0.552	56%	0.555	S	S	*	*	H	α-helix	trans	-71.4	-31.5	177.6	172.2	0	0	0	0	112.3	L780 D781 S786	L780-V784 VanDerWaalsContact O-CG2 3.3Å; L780-V784 WeakPolarHBondContact O-CG2 3.16Å; L780-V784 PolarHBondContact O-N 3.14Å; D781-V784 PolarHBondContact O-N 3.25Å; V784-S786 VanDerWaalsContact C-N 3.28Å; V784-S786 PolarHBondContact O-N 3.18Å
785	T	36.8	Very low	37.5	Very low	122 Å²	122	93.1 Å²	93.1	75%	0.748	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-12.2	174.1	38	0	0	0	0	115.1	D781 K782	D781-T785 PolarHBondContact O-N 3.06Å; D781-T785 PolarHBondContact O-OG1 2.92Å; D781-T785 VanDerWaalsContact O-OG1 3.07Å; K782-T785 PolarHBondContact O-OG1 2.9Å; K782-T785 VanDerWaalsContact O-OG1 3.08Å
786	S	36.2	Very low	38.1	Very low	59 Å²	59	88.6 Å²	88.6	41%	0.413	54%	0.537	S	S	.	.	S	Bend	trans	-98	111.2	166.8	78.4	0	0	0	0	108	L783 V784 A788 A789	L783-S786 PolarHBondContact O-N 2.97Å; L783-S786 PolarHBondContact O-OG 3.45Å; V784-S786 VanDerWaalsContact C-N 3.28Å; V784-S786 PolarHBondContact O-N 3.18Å; S786-A788 PolarHBondContact O-N 3.44Å; S786-A789 PolarHBondContact O-N 3.45Å
787	G	35.4	Very low	38.5	Very low	74 Å²	74	87.7 Å²	87.7	76%	0.763	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	17.8	-175.9	0	0	0	0	0	116.6
788	A	34.9	Very low	39.2	Very low	74 Å²	74	88.8 Å²	88.8	61%	0.612	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-13.5	172.7	0	0	0	0	0	113.3	S786	S786-A788 PolarHBondContact O-N 3.44Å
789	A	37.1	Very low	40.6	Very low	13 Å²	13	89.7 Å²	89.7	11%	0.107	55%	0.547	C	S	.	.	H	α-helix	trans	-86	-20.6	-176.1	0	0	0	0	0	114.7	L783 S786 E791 A792 I793	L783-A789 VanDerWaalsContact O-CB 3.28Å; L783-A789 WeakPolarHBondContact O-CB 3.24Å; S786-A789 PolarHBondContact O-N 3.45Å; A789-E791 PolarHBondContact O-N 3Å; A789-A792 PolarHBondContact O-N 3.25Å; A789-A792 VanDerWaalsContact O-N 3.11Å; A789-I793 WeakPolarHBondContact O-CG1 3.4Å; A789-I793 PolarHBondContact O-N 3.1Å
790	T	37.3	Very low	42.7	Very low	107 Å²	107	87.4 Å²	87.4	66%	0.656	54%	0.535	S	S	*	.	H	α-helix	trans	-64.1	-31	176.8	-2.3	0	0	0	0	111.8	S794	T790-S794 WeakPolarHBondContact O-CB 3.43Å; T790-S794 PolarHBondContact O-N 3.31Å; T790-S794 VanDerWaalsContact O-N 3.15Å
791	E	37.9	Very low	45	Very low	159 Å²	159	86.9 Å²	86.9	74%	0.743	54%	0.535	S	S	*	.	H	α-helix	trans	-77	-31.5	171.9	-72.5	-172	161.4	0	0	112.8	A789 A795	A789-E791 PolarHBondContact O-N 3Å; E791-A795 WeakPolarHBondContact O-CB 3.38Å; E791-A795 PolarHBondContact O-N 2.89Å
792	A	37.7	Very low	47.3	Very low	62 Å²	62	86.9 Å²	86.9	51%	0.512	53%	0.534	S	S	.	.	H	α-helix	trans	-75.7	-35.9	178.3	0	0	0	0	0	113.1	A789 A795 S796	A789-A792 PolarHBondContact O-N 3.25Å; A789-A792 VanDerWaalsContact O-N 3.11Å; A792-A795 PolarHBondContact O-N 3.33Å; A792-S796 PolarHBondContact O-N 2.91Å
793	I	43	Very low	49.8	Very low	92 Å²	92	85.8 Å²	85.8	47%	0.472	53%	0.532	S	S	.	.	H	α-helix	trans	-73.2	-38.9	173.2	-64.3	169.1	0	0	0	110.1	A789 A795 S796 L797	A789-I793 WeakPolarHBondContact O-CG1 3.4Å; A789-I793 PolarHBondContact O-N 3.1Å; I793-A795 VanDerWaalsContact C-N 3.33Å; I793-A795 PolarHBondContact O-N 3.41Å; I793-S796 PolarHBondContact O-N 2.88Å; I793-L797 HydrophobicContact CG2-CD1 3.84Å; I793-L797 VanDerWaalsContact O-CD1 3.27Å; I793-L797 WeakPolarHBondContact O-CD1 3.39Å; I793-L797 PolarHBondContact O-N 2.94Å
794	S	41.8	Very low	52.2	Low	79 Å²	79	83.1 Å²	83.1	55%	0.552	52%	0.517	S	S	*	.	H	α-helix	trans	-61.7	-38.9	170.2	-178.5	0	0	0	0	112.2	T790 L797 S798	T790-S794 WeakPolarHBondContact O-CB 3.43Å; T790-S794 PolarHBondContact O-N 3.31Å; T790-S794 VanDerWaalsContact O-N 3.15Å; S794-L797 PolarHBondContact O-N 2.81Å; S794-S798 PolarHBondContact O-N 3.21Å
795	A	43.6	Very low	54.8	Low	59 Å²	59	79.3 Å²	79.3	49%	0.488	49%	0.494	S	S	.	.	H	α-helix	trans	-67.3	-34	172.9	0	0	0	0	0	112.7	E791 A792 I793 S798	E791-A795 WeakPolarHBondContact O-CB 3.38Å; E791-A795 PolarHBondContact O-N 2.89Å; A792-A795 PolarHBondContact O-N 3.33Å; I793-A795 VanDerWaalsContact C-N 3.33Å; I793-A795 PolarHBondContact O-N 3.41Å; A795-S798 PolarHBondContact O-N 3.26Å; A795-S798 PolarHBondContact O-OG 3.45Å
796	S	46.6	Very low	57.3	Low	51 Å²	51	77 Å²	77	36%	0.357	48%	0.477	S	S	.	.	H	α-helix	trans	-73.4	-35.1	174.4	-172.9	0	0	0	0	113.1	A792 I793 S798 S799	A792-S796 PolarHBondContact O-N 2.91Å; I793-S796 PolarHBondContact O-N 2.88Å; S796-S798 PolarHBondContact O-N 2.77Å; S796-S799 PolarHBondContact O-N 3.02Å; S796-S799 VanDerWaalsContact O-N 3.12Å; S796-S799 PolarHBondContact O-OG 2.83Å
797	L	45	Very low	60	Low	97 Å²	97	78 Å²	78	51%	0.508	48%	0.476	S	S	.	.	H	α-helix	trans	-60.7	-24.9	171.8	-101.9	100.9	0	0	0	112	I635 I793 S794 S799	I635-L797 HydrophobicContact CG2-CG 4.38Å; I793-L797 HydrophobicContact CG2-CD1 3.84Å; I793-L797 VanDerWaalsContact O-CD1 3.27Å; I793-L797 WeakPolarHBondContact O-CD1 3.39Å; I793-L797 PolarHBondContact O-N 2.94Å; S794-L797 PolarHBondContact O-N 2.81Å; L797-S799 VanDerWaalsContact C-N 3.29Å; L797-S799 PolarHBondContact O-N 2.96Å
798	S	50.9	Low	62.8	Low	101 Å²	101	74.7 Å²	74.7	71%	0.706	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-9.8	177	80.4	0	0	0	0	114.6	S794 A795 S796	S794-S798 PolarHBondContact O-N 3.21Å; A795-S798 PolarHBondContact O-N 3.26Å; A795-S798 PolarHBondContact O-OG 3.45Å; S796-S798 PolarHBondContact O-N 2.77Å
799	S	63.4	Low	65.6	Low	75 Å²	75	71.9 Å²	71.9	52%	0.524	42%	0.418	S	S	.	.	S	Bend	trans	-88.6	-23.1	-176.1	75.7	0	0	0	0	114.5	S796 L797	S796-S799 PolarHBondContact O-N 3.02Å; S796-S799 VanDerWaalsContact O-N 3.12Å; S796-S799 PolarHBondContact O-OG 2.83Å; L797-S799 VanDerWaalsContact C-N 3.29Å; L797-S799 PolarHBondContact O-N 2.96Å
800	Y	78.4	Confident	68.4	Low	60 Å²	60	74.8 Å²	74.8	24%	0.235	43%	0.431	C	S	.	.	S	Bend	trans	-113.1	132.5	-176.9	-59.2	-61.3	0	0	0	110.6	I635 L804 W846	I635-Y800 HydrophobicContact CD1-CD2 3.94Å; I635-Y800 HydrophobicContact CD1-CE2 3.98Å; Y800-L804 HydrophobicContact CD1-CD2 3.48Å; Y800-L804 VanDerWaalsContact CD1-CD2 3.48Å; Y800-L804 HydrophobicContact CE1-CD2 4.33Å; Y800-L804 HydrophobicContact CG-CD2 4.2Å; Y800-W846 HydrophobicContact CE1-CH2 4.33Å
801	T	87.9	Confident	71.2	Confident	79 Å²	79	70.2 Å²	70.2	49%	0.485	40%	0.403	S	S	.	.			trans	-71.8	154.4	174.7	69.1	0	0	0	0	110.5	E803 L804 L805	T801-E803 WeakPolarHBondContact CB-OE2 3.48Å; T801-E803 PolarHBondContact O-N 2.82Å; T801-E803 PolarHBondContact OG1-OE2 3.42Å; T801-L804 WeakPolarHBondContact O-CB 3.43Å; T801-L804 PolarHBondContact O-N 2.73Å; T801-L804 VanDerWaalsContact O-N 3.14Å; T801-L804 PolarHBondContact OG1-N 2.84Å; T801-L805 PolarHBondContact O-N 3.1Å; T801-L805 VanDerWaalsContact O-N 3.12Å
802	I	86.3	Confident	74	Confident	108 Å²	108	63.4 Å²	63.4	55%	0.554	37%	0.371	S	S	*	.	H	α-helix	trans	-59.7	-38.4	177.2	-62.9	172.6	0	0	0	110.4	L804 L805 D806	I802-L804 VanDerWaalsContact C-N 3.29Å; I802-L804 PolarHBondContact O-N 2.78Å; I802-L805 PolarHBondContact O-N 3.5Å; I802-D806 PolarHBondContact O-N 3.3Å
803	E	88.2	Confident	76.7	Confident	141 Å²	141	66.2 Å²	66.2	66%	0.659	37%	0.374	S	S	*	.	H	α-helix	trans	-62.4	-37.3	178	-56	106.1	176.2	0	0	112.3	T801 M807	T801-E803 WeakPolarHBondContact CB-OE2 3.48Å; T801-E803 PolarHBondContact O-N 2.82Å; T801-E803 PolarHBondContact OG1-OE2 3.42Å; E803-M807 WeakPolarHBondContact O-CB 3.06Å; E803-M807 PolarHBondContact O-N 3.1Å
804	L	89.8	Confident	79.2	Confident	42 Å²	42	67.3 Å²	67.3	22%	0.22	37%	0.372	C	S	.	.	H	α-helix	trans	-66	-45.1	176.3	177.3	65.4	0	0	0	111.1	Y800 T801 I802 D806 M807 V808 L849	Y800-L804 HydrophobicContact CD1-CD2 3.48Å; Y800-L804 VanDerWaalsContact CD1-CD2 3.48Å; Y800-L804 HydrophobicContact CE1-CD2 4.33Å; Y800-L804 HydrophobicContact CG-CD2 4.2Å; T801-L804 WeakPolarHBondContact O-CB 3.43Å; T801-L804 PolarHBondContact O-N 2.73Å; T801-L804 VanDerWaalsContact O-N 3.14Å; T801-L804 PolarHBondContact OG1-N 2.84Å; I802-L804 VanDerWaalsContact C-N 3.29Å; I802-L804 PolarHBondContact O-N 2.78Å; L804-D806 PolarHBondContact O-N 3.21Å; L804-M807 PolarHBondContact O-N 3.33Å; L804-V808 HydrophobicContact CD1-CG2 4.18Å; L804-V808 HydrophobicContact CG-CG2 4.44Å; L804-V808 WeakPolarHBondContact O-CB 3.4Å; L804-V808 WeakPolarHBondContact O-CG2 3.48Å; L804-V808 PolarHBondContact O-N 3.1Å; L804-L849 HydrophobicContact CD1-CD1 3.55Å
805	L	91.6	Very high	81.9	Confident	11 Å²	11	63.6 Å²	63.6	6%	0.058	35%	0.346	C	S	.	.	H	α-helix	trans	-62.3	-42.8	177.9	-66.2	175.2	0	0	0	111.7	I635 V636 T801 I802 V808 A809	I635-L805 HydrophobicContact CG2-CD1 4.23Å; I635-L805 HydrophobicContact CG2-CD2 4.09Å; V636-L805 HydrophobicContact CG2-CD2 4.11Å; T801-L805 PolarHBondContact O-N 3.1Å; T801-L805 VanDerWaalsContact O-N 3.12Å; I802-L805 PolarHBondContact O-N 3.5Å; L805-V808 PolarHBondContact O-N 3.46Å; L805-A809 WeakPolarHBondContact O-CB 3.28Å; L805-A809 PolarHBondContact O-N 3.02Å
806	D	90.9	Very high	84.4	Confident	74 Å²	74	63 Å²	63	40%	0.396	34%	0.335	S	S	.	.	H	α-helix	trans	-63.6	-41.3	176.3	-70.5	-19.8	0	0	0	111.4	R639 I802 L804 L810	R639-D806 IonicContact CZ-OD1 2.73Å; R639-D806 IonicContact NH1-OD1 2.67Å; R639-D806 PolarHBondContact NH1-OD1 2.97Å; R639-D806 IonicContact NH2-OD1 3.55Å; R639-D806 PolarHBondContact NH2-OD1 3.47Å; I802-D806 PolarHBondContact O-N 3.3Å; L804-D806 PolarHBondContact O-N 3.21Å; D806-L810 WeakPolarHBondContact O-CB 3.41Å; D806-L810 PolarHBondContact O-N 3.28Å
807	M	92.4	Very high	86.8	Confident	79 Å²	79	64.9 Å²	64.9	39%	0.389	34%	0.336	S	S	.	.	H	α-helix	trans	-64.2	-43.9	176.4	-175.5	-172.2	-61.2	0	0	112	E803 L804 N811 L849	E803-M807 WeakPolarHBondContact O-CB 3.06Å; E803-M807 PolarHBondContact O-N 3.1Å; L804-M807 PolarHBondContact O-N 3.33Å; M807-N811 PolarHBondContact O-N 2.86Å; M807-N811 VanDerWaalsContact O-N 3.12Å; M807-N811 PolarHBondContact O-ND2 3.48Å; M807-L849 HydrophobicContact SD-CB 3.79Å; M807-L849 HydrophobicContact SD-CD2 4.26Å; M807-L849 HydrophobicContact SD-CG 4.5Å
808	V	94.2	Very high	89.2	Confident	6 Å²	6	60.9 Å²	60.9	4%	0.036	32%	0.315	C	S	.	.	H	α-helix	trans	-65.6	-45.4	178.5	172.1	0	0	0	0	110.2	V636 L804 L805 L810 N811 L812 W846 L849	V636-V808 HydrophobicContact CG2-CG1 4.28Å; L804-V808 HydrophobicContact CD1-CG2 4.18Å; L804-V808 HydrophobicContact CG-CG2 4.44Å; L804-V808 WeakPolarHBondContact O-CB 3.4Å; L804-V808 WeakPolarHBondContact O-CG2 3.48Å; L804-V808 PolarHBondContact O-N 3.1Å; L805-V808 PolarHBondContact O-N 3.46Å; V808-L810 PolarHBondContact O-N 2.88Å; V808-N811 PolarHBondContact O-N 3.46Å; V808-L812 HydrophobicContact CG1-CD1 3.82Å; V808-L812 HydrophobicContact CG1-CG 4.15Å; V808-L812 WeakPolarHBondContact O-CB 3.27Å; V808-L812 VanDerWaalsContact O-CG 3.32Å; V808-L812 WeakPolarHBondContact O-CG 3.34Å; V808-L812 PolarHBondContact O-N 2.81Å; V808-W846 HydrophobicContact CG1-CZ3 4.23Å; V808-W846 HydrophobicContact CG2-CE3 4.08Å; V808-W846 HydrophobicContact CG2-CZ3 3.58Å; V808-L849 HydrophobicContact CG2-CD1 4.39Å; V808-L849 HydrophobicContact CG2-CD2 4.06Å
809	A	94.4	Very high	91.4	Very high	15 Å²	15	56.5 Å²	56.5	12%	0.124	29%	0.285	C	S	.	.	H	α-helix	trans	-55.9	-48.4	176.5	0	0	0	0	0	112.1	V636 L805 N811 L812 H813	V636-A809 HydrophobicContact CG1-CB 3.48Å; V636-A809 VanDerWaalsContact CG1-CB 3.48Å; V636-A809 HydrophobicContact CG2-CB 4.46Å; L805-A809 WeakPolarHBondContact O-CB 3.28Å; L805-A809 PolarHBondContact O-N 3.02Å; A809-N811 VanDerWaalsContact C-N 3.33Å; A809-N811 PolarHBondContact O-N 3.5Å; A809-L812 PolarHBondContact O-N 2.95Å; A809-H813 WeakPolarHBondContact O-CB 3.43Å; A809-H813 PolarHBondContact O-N 3.43Å
810	L	94.3	Very high	92.8	Very high	73 Å²	73	59.7 Å²	59.7	38%	0.382	29%	0.291	S	S	.	.	H	α-helix	trans	-60	-42.2	178.2	179.8	62.9	0	0	0	112.3	D806 V808 R814	D806-L810 WeakPolarHBondContact O-CB 3.41Å; D806-L810 PolarHBondContact O-N 3.28Å; V808-L810 PolarHBondContact O-N 2.88Å; L810-R814 VanDerWaalsContact O-CG 3.31Å; L810-R814 WeakPolarHBondContact O-CG 3.11Å; L810-R814 PolarHBondContact O-N 3.48Å
811	N	96.6	Very high	93.5	Very high	11 Å²	11	62.4 Å²	62.4	6%	0.059	30%	0.301	C	S	.	.	H	α-helix	trans	-70.6	-43.2	179.4	-78	-64.8	0	0	0	112.3	M807 V808 A809 H813 R814 I815 V845 G852 Y853	M807-N811 PolarHBondContact O-N 2.86Å; M807-N811 VanDerWaalsContact O-N 3.12Å; M807-N811 PolarHBondContact O-ND2 3.48Å; V808-N811 PolarHBondContact O-N 3.46Å; A809-N811 VanDerWaalsContact C-N 3.33Å; A809-N811 PolarHBondContact O-N 3.5Å; N811-H813 VanDerWaalsContact C-N 3.32Å; N811-H813 PolarHBondContact O-N 3.28Å; N811-R814 PolarHBondContact O-N 3.3Å; N811-I815 WeakPolarHBondContact O-CB 3.23Å; N811-I815 WeakPolarHBondContact O-CD1 3.48Å; N811-I815 VanDerWaalsContact O-CG1 3.23Å; N811-I815 WeakPolarHBondContact O-CG1 3.48Å; N811-I815 PolarHBondContact O-N 2.84Å; N811-V845 HydrophobicContact CB-CG1 3.89Å; N811-G852 WeakPolarHBondContact OD1-CA 3.41Å; N811-Y853 WeakPolarHBondContact OD1-CB 3.24Å; N811-Y853 PolarHBondContact OD1-N 3.06Å
812	L	96.5	Very high	93.9	Very high	16 Å²	16	58.7 Å²	58.7	8%	0.084	28%	0.278	C	S	.	.	H	α-helix	trans	-56.8	-47.3	175.3	-72.6	174.7	0	0	0	110.9	W629 E633 V808 A809 R814 I815 D816 C842	W629-L812 HydrophobicContact CE3-CD2 4.34Å; W629-L812 HydrophobicContact CZ3-CD2 4.32Å; E633-L812 HydrophobicContact CB-CD1 4Å; E633-L812 HydrophobicContact CG-CD1 3.94Å; V808-L812 HydrophobicContact CG1-CD1 3.82Å; V808-L812 HydrophobicContact CG1-CG 4.15Å; V808-L812 WeakPolarHBondContact O-CB 3.27Å; V808-L812 VanDerWaalsContact O-CG 3.32Å; V808-L812 WeakPolarHBondContact O-CG 3.34Å; V808-L812 PolarHBondContact O-N 2.81Å; A809-L812 PolarHBondContact O-N 2.95Å; L812-R814 VanDerWaalsContact C-N 3.35Å; L812-R814 PolarHBondContact O-N 2.88Å; L812-I815 PolarHBondContact O-N 3.4Å; L812-D816 WeakPolarHBondContact O-CB 3.44Å; L812-D816 VanDerWaalsContact O-CG 3.22Å; L812-D816 PolarHBondContact O-N 2.92Å; L812-C842 VanDerWaalsContact CD2-SG 3.57Å
813	H	95	Very high	94.2	Very high	122 Å²	122	54.5 Å²	54.5	57%	0.565	26%	0.257	S	S	*	.	H	α-helix	trans	-58.8	-44.1	177.9	-178.8	69.1	0	0	0	112.8	A809 N811 D816 K817	A809-H813 WeakPolarHBondContact O-CB 3.43Å; A809-H813 PolarHBondContact O-N 3.43Å; N811-H813 VanDerWaalsContact C-N 3.32Å; N811-H813 PolarHBondContact O-N 3.28Å; H813-D816 PolarHBondContact O-N 2.79Å; H813-K817 PolarHBondContact O-N 2.93Å; H813-K817 VanDerWaalsContact O-N 3.11Å
814	R	96.1	Very high	94.2	Very high	114 Å²	114	56.8 Å²	56.8	43%	0.43	26%	0.26	S	S	.	.	H	α-helix	trans	-66.3	-41.7	177.8	-69.9	171.5	176.6	-178	0.3	112.5	L810 N811 L812 K817 D818 Y853	L810-R814 VanDerWaalsContact O-CG 3.31Å; L810-R814 WeakPolarHBondContact O-CG 3.11Å; L810-R814 PolarHBondContact O-N 3.48Å; N811-R814 PolarHBondContact O-N 3.3Å; L812-R814 VanDerWaalsContact C-N 3.35Å; L812-R814 PolarHBondContact O-N 2.88Å; R814-K817 PolarHBondContact O-N 2.86Å; R814-D818 PolarHBondContact O-N 2.89Å; R814-D818 VanDerWaalsContact O-N 3.13Å; R814-Y853 HydrophobicContact CB-CD1 3.63Å; R814-Y853 HydrophobicContact CB-CE1 4.22Å; R814-Y853 HydrophobicContact CB-CG 4.5Å
815	I	97.9	Very high	94.2	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-61.5	-49.7	176.2	-68.8	163.4	0	0	0	109.5	N811 L812 K817 D818 V819 R838 M841 V845 Y853	N811-I815 WeakPolarHBondContact O-CB 3.23Å; N811-I815 WeakPolarHBondContact O-CD1 3.48Å; N811-I815 VanDerWaalsContact O-CG1 3.23Å; N811-I815 WeakPolarHBondContact O-CG1 3.48Å; N811-I815 PolarHBondContact O-N 2.84Å; L812-I815 PolarHBondContact O-N 3.4Å; I815-K817 VanDerWaalsContact C-N 3.29Å; I815-K817 PolarHBondContact O-N 3.26Å; I815-D818 PolarHBondContact O-N 3.01Å; I815-D818 VanDerWaalsContact O-N 3.09Å; I815-V819 HydrophobicContact CG2-CG2 3.87Å; I815-V819 WeakPolarHBondContact O-CB 3.17Å; I815-V819 VanDerWaalsContact O-CG2 3.27Å; I815-V819 WeakPolarHBondContact O-CG2 3.01Å; I815-V819 PolarHBondContact O-N 2.88Å; I815-R838 HydrophobicContact CG2-CG 4.28Å; I815-M841 HydrophobicContact CD1-CB 4.4Å; I815-M841 HydrophobicContact CG1-CB 4.41Å; I815-M841 HydrophobicContact CG2-CB 3.82Å; I815-V845 HydrophobicContact CD1-CB 4.26Å; I815-V845 HydrophobicContact CD1-CG2 4.1Å; I815-Y853 HydrophobicContact CD1-CD2 4.25Å; I815-Y853 HydrophobicContact CD1-CG 4.43Å; I815-Y853 HydrophobicContact CG1-CD1 4.24Å; I815-Y853 HydrophobicContact CG1-CD2 3.4Å; I815-Y853 HydrophobicContact CG1-CE2 3.96Å; I815-Y853 HydrophobicContact CG1-CG 3.56Å
816	D	96.4	Very high	94.4	Very high	46 Å²	46	64.6 Å²	64.6	25%	0.246	30%	0.298	C	S	.	.	H	α-helix	trans	-59.2	-41.5	-178	-71.6	-19.8	0	0	0	111.6	L812 H813 Q820 R838	L812-D816 WeakPolarHBondContact O-CB 3.44Å; L812-D816 VanDerWaalsContact O-CG 3.22Å; L812-D816 PolarHBondContact O-N 2.92Å; H813-D816 PolarHBondContact O-N 2.79Å; D816-Q820 VanDerWaalsContact O-CG 3.28Å; D816-Q820 WeakPolarHBondContact O-CG 2.93Å; D816-Q820 PolarHBondContact O-N 3.27Å; D816-R838 IonicContact OD1-CZ 3.28Å; D816-R838 IonicContact OD1-NE 3.81Å; D816-R838 PolarHBondContact OD1-NE 3.48Å; D816-R838 IonicContact OD1-NH2 3.67Å; D816-R838 PolarHBondContact OD1-NH2 3.14Å; D816-R838 IonicContact OD2-NH2 3.8Å; D816-R838 PolarHBondContact OD2-NH2 3.13Å
817	K	95.6	Very high	94.6	Very high	91 Å²	91	69.5 Å²	69.5	40%	0.396	31%	0.312	S	S	.	.	H	α-helix	trans	-61.9	-43.3	175	-173.2	-178.8	177.8	-177	0	112.4	H813 R814 I815	H813-K817 PolarHBondContact O-N 2.93Å; H813-K817 VanDerWaalsContact O-N 3.11Å; R814-K817 PolarHBondContact O-N 2.86Å; I815-K817 VanDerWaalsContact C-N 3.29Å; I815-K817 PolarHBondContact O-N 3.26Å
818	D	96.2	Very high	94.7	Very high	12 Å²	12	66.6 Å²	66.6	6%	0.064	30%	0.297	C	S	.	.	H	α-helix	trans	-76.4	-37.3	-177.5	-85.1	12.5	0	0	0	113.2	R814 I815 Q820 R821 C822 Y853 Q855	R814-D818 PolarHBondContact O-N 2.89Å; R814-D818 VanDerWaalsContact O-N 3.13Å; I815-D818 PolarHBondContact O-N 3.01Å; I815-D818 VanDerWaalsContact O-N 3.09Å; D818-Q820 VanDerWaalsContact C-N 3.32Å; D818-Q820 PolarHBondContact O-N 3.44Å; D818-R821 VanDerWaalsContact O-CG 3.27Å; D818-R821 WeakPolarHBondContact O-CG 3.27Å; D818-R821 PolarHBondContact O-N 3.44Å; D818-R821 IonicContact OD1-CZ 3.19Å; D818-R821 IonicContact OD1-NE 3.96Å; D818-R821 PolarHBondContact OD1-NE 3.49Å; D818-R821 IonicContact OD1-NH2 2.68Å; D818-R821 PolarHBondContact OD1-NH2 3.16Å; D818-R821 IonicContact OD2-NH2 2.77Å; D818-C822 WeakPolarHBondContact O-CB 3.3Å; D818-C822 PolarHBondContact O-N 3.14Å; D818-Y853 HydrophobicContact CB-CE1 4.15Å; D818-Y853 WeakPolarHBondContact CB-OH 3.27Å; D818-Y853 VanDerWaalsContact OD2-CE1 3.3Å; D818-Y853 WeakPolarHBondContact OD2-CE1 3.21Å; D818-Y853 PolarHBondContact OD2-OH 3.01Å; D818-Q855 WeakPolarHBondContact OD2-CA 2.92Å
819	V	97.1	Very high	94.8	Very high	10 Å²	10	66.9 Å²	66.9	6%	0.061	30%	0.297	C	S	.	.	H	α-helix	trans	-59.4	-44.2	175.5	167	0	0	0	0	110.4	I815 R821 C822 L834 L837 R838	I815-V819 HydrophobicContact CG2-CG2 3.87Å; I815-V819 WeakPolarHBondContact O-CB 3.17Å; I815-V819 VanDerWaalsContact O-CG2 3.27Å; I815-V819 WeakPolarHBondContact O-CG2 3.01Å; I815-V819 PolarHBondContact O-N 2.88Å; V819-R821 PolarHBondContact O-N 2.92Å; V819-C822 WeakPolarHBondContact O-CB 3.22Å; V819-C822 PolarHBondContact O-N 3.09Å; V819-C822 VanDerWaalsContact O-N 3.16Å; V819-L834 HydrophobicContact CG1-CB 4.05Å; V819-L834 HydrophobicContact CG1-CD2 4.17Å; V819-L834 WeakPolarHBondContact CG1-O 3.29Å; V819-L834 WeakPolarHBondContact O-CD2 3.42Å; V819-L837 HydrophobicContact CB-CD2 4.43Å; V819-L837 HydrophobicContact CG1-CD2 4.27Å; V819-L837 HydrophobicContact CG2-CD2 4.08Å; V819-L837 HydrophobicContact CG2-CG 4.26Å; V819-R838 HydrophobicContact CG1-CB 4.34Å; V819-R838 HydrophobicContact CG2-CB 4.15Å
820	Q	93.6	Very high	94.9	Very high	141 Å²	141	69.7 Å²	69.7	66%	0.659	31%	0.313	S	S	*	.	H	α-helix	trans	-61.2	-27.8	-179.2	-75	175.7	7.1	0	0	114.2	D816 D818	D816-Q820 VanDerWaalsContact O-CG 3.28Å; D816-Q820 WeakPolarHBondContact O-CG 2.93Å; D816-Q820 PolarHBondContact O-N 3.27Å; D818-Q820 VanDerWaalsContact C-N 3.32Å; D818-Q820 PolarHBondContact O-N 3.44Å
821	R	93.3	Very high	94.9	Very high	117 Å²	117	71.5 Å²	71.5	44%	0.442	33%	0.327	S	S	.	.	H	α-helix	trans	-101.8	-4.6	179	64.8	-178.5	177.9	161.1	0.5	113.9	D818 V819 D823	D818-R821 VanDerWaalsContact O-CG 3.27Å; D818-R821 WeakPolarHBondContact O-CG 3.27Å; D818-R821 PolarHBondContact O-N 3.44Å; D818-R821 IonicContact OD1-CZ 3.19Å; D818-R821 IonicContact OD1-NE 3.96Å; D818-R821 PolarHBondContact OD1-NE 3.49Å; D818-R821 IonicContact OD1-NH2 2.68Å; D818-R821 PolarHBondContact OD1-NH2 3.16Å; D818-R821 IonicContact OD2-NH2 2.77Å; V819-R821 PolarHBondContact O-N 2.92Å; R821-D823 PolarHBondContact O-N 3.31Å; R821-D823 VanDerWaalsContact O-N 3.14Å
822	C	94.6	Very high	94.9	Very high	1 Å²	1	73.6 Å²	73.6	1%	0.007	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	110.7	-176	-171.5	0	0	0	0	110.4	D818 V819 R824 L837 C858	D818-C822 WeakPolarHBondContact O-CB 3.3Å; D818-C822 PolarHBondContact O-N 3.14Å; V819-C822 WeakPolarHBondContact O-CB 3.22Å; V819-C822 PolarHBondContact O-N 3.09Å; V819-C822 VanDerWaalsContact O-N 3.16Å; C822-R824 PolarHBondContact O-N 3.3Å; C822-L837 HydrophobicContact CB-CD2 3.69Å; C822-C858 HydrophobicContact CB-CB 4.36Å
823	D	92.6	Very high	94.9	Very high	21 Å²	21	73.8 Å²	73.8	11%	0.112	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	39.2	41.8	171.6	-64.8	-4	0	0	0	114.7	R821 N825 Y826 F829 K938 R939 Y943	R821-D823 PolarHBondContact O-N 3.31Å; R821-D823 VanDerWaalsContact O-N 3.14Å; D823-N825 PolarHBondContact O-N 3.02Å; D823-Y826 WeakPolarHBondContact O-CB 3.33Å; D823-Y826 PolarHBondContact O-N 2.98Å; D823-F829 HydrophobicContact CB-CD2 3.83Å; D823-F829 HydrophobicContact CB-CE2 3.89Å; D823-K938 IonicContact OD1-NZ 3.78Å; D823-K938 WeakPolarHBondContact OD2-CE 3.47Å; D823-K938 IonicContact OD2-NZ 3.88Å; D823-K938 PolarHBondContact OD2-NZ 3.04Å; D823-R939 IonicContact OD1-CZ 2.81Å; D823-R939 IonicContact OD1-NH1 2.89Å; D823-R939 PolarHBondContact OD1-NH1 3.39Å; D823-R939 IonicContact OD1-NH2 3.19Å; D823-Y943 WeakPolarHBondContact OD2-CE2 3.5Å; D823-Y943 VanDerWaalsContact OD2-CZ 3.31Å; D823-Y943 PolarHBondContact OD2-OH 2.83Å
824	R	89.8	Confident	95	Very high	189 Å²	189	69.4 Å²	69.4	71%	0.713	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-24	-170.4	-160.9	-179.6	99.2	174.6	5.9	114.1	C822	C822-R824 PolarHBondContact O-N 3.3Å
825	N	89.4	Confident	95	Very high	161 Å²	161	69.1 Å²	69.1	86%	0.861	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-7.8	-179.5	-62.2	-18.1	0	0	0	113	D823	D823-N825 PolarHBondContact O-N 3.02Å
826	Y	94.9	Very high	95.1	Very high	56 Å²	56	72.1 Å²	72.1	22%	0.22	35%	0.345	C	S	.	.	S	Bend	trans	-87.6	130.1	178.9	-167.8	-99	0	0	0	110.6	D823 Y828 F829 V866 Y943	D823-Y826 WeakPolarHBondContact O-CB 3.33Å; D823-Y826 PolarHBondContact O-N 2.98Å; Y826-Y828 PolarHBondContact O-N 2.87Å; Y826-F829 HydrophobicContact CD1-CD2 4.2Å; Y826-F829 HydrophobicContact CD1-CE2 4.15Å; Y826-F829 PolarHBondContact O-N 3.33Å; Y826-V866 HydrophobicContact CD1-CG2 4.21Å; Y826-V866 HydrophobicContact CE1-CG1 3.86Å; Y826-V866 HydrophobicContact CE1-CG2 3.76Å; Y826-Y943 HydrophobicContact CD1-CD2 4.41Å; Y826-Y943 HydrophobicContact CD1-CE2 4.13Å; Y826-Y943 AromaticContact CD2-CD2 3.57Å; Y826-Y943 HydrophobicContact CD2-CD2 3.57Å; Y826-Y943 AromaticContact CD2-CE2 3.82Å; Y826-Y943 HydrophobicContact CD2-CE2 3.82Å; Y826-Y943 HydrophobicContact CD2-CG 4.32Å; Y826-Y943 HydrophobicContact CE1-CD1 4.42Å; Y826-Y943 HydrophobicContact CE1-CD2 4.33Å; Y826-Y943 HydrophobicContact CE1-CE1 4.46Å; Y826-Y943 HydrophobicContact CE1-CE2 4.39Å; Y826-Y943 HydrophobicContact CE1-CG 4.35Å; Y826-Y943 AromaticContact CE2-CD2 3.45Å; Y826-Y943 HydrophobicContact CE2-CD2 3.45Å; Y826-Y943 VanDerWaalsContact CE2-CD2 3.45Å; Y826-Y943 HydrophobicContact CE2-CE2 4.09Å; Y826-Y943 AromaticContact CE2-CG 3.75Å; Y826-Y943 HydrophobicContact CE2-CG 3.75Å; Y826-Y943 HydrophobicContact CG-CD2 4.07Å; Y826-Y943 AromaticContact CG-CE2 3.84Å; Y826-Y943 HydrophobicContact CG-CE2 3.84Å; Y826-Y943 AromaticContact CZ-CD2 3.85Å; Y826-Y943 AromaticContact CZ-CG 3.76Å
827	Y	94.9	Very high	95.1	Very high	176 Å²	176	70 Å²	70	69%	0.69	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-26.5	-167.2	75.6	-89.4	0	0	0	115
828	Y	96.1	Very high	95.3	Very high	19 Å²	19	67.4 Å²	67.4	8%	0.075	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-31.6	-178.1	-177.9	-94.3	0	0	0	113	Y826 T830 N833 M865 V866 D869	Y826-Y828 PolarHBondContact O-N 2.87Å; Y828-T830 PolarHBondContact O-N 3.45Å; Y828-N833 HydrophobicContact CD1-CB 4.44Å; Y828-N833 HydrophobicContact CE1-CB 4.12Å; Y828-N833 WeakPolarHBondContact O-CB 3.4Å; Y828-N833 PolarHBondContact O-ND2 2.99Å; Y828-M865 HydrophobicContact CE1-CB 3.81Å; Y828-M865 HydrophobicContact CE1-CE 4.39Å; Y828-M865 PolarHBondContact OH-O 2.84Å; Y828-V866 HydrophobicContact CD1-CG2 3.64Å; Y828-V866 HydrophobicContact CE1-CG2 4.28Å; Y828-V866 HydrophobicContact CG-CB 4.47Å; Y828-V866 HydrophobicContact CG-CG2 3.8Å; Y828-D869 HydrophobicContact CE2-CB 4.39Å; Y828-D869 PolarHBondContact OH-OD1 3.32Å
829	F	96.7	Very high	95.4	Very high	11 Å²	11	67.9 Å²	67.9	5%	0.048	32%	0.324	C	S	.	.			trans	-83.8	62.7	-173.8	-66.3	-73.4	0	0	0	112.8	D823 Y826 L834 A862 V866 Y943	D823-F829 HydrophobicContact CB-CD2 3.83Å; D823-F829 HydrophobicContact CB-CE2 3.89Å; Y826-F829 HydrophobicContact CD1-CD2 4.2Å; Y826-F829 HydrophobicContact CD1-CE2 4.15Å; Y826-F829 PolarHBondContact O-N 3.33Å; F829-L834 HydrophobicContact CB-CD2 4.01Å; F829-L834 HydrophobicContact CB-CG 4.33Å; F829-L834 HydrophobicContact CD1-CD2 3.99Å; F829-L834 HydrophobicContact CG-CD2 4.35Å; F829-A862 HydrophobicContact CE1-CB 4.18Å; F829-A862 HydrophobicContact CE2-CB 4.15Å; F829-A862 HydrophobicContact CZ-CB 3.44Å; F829-A862 VanDerWaalsContact CZ-CB 3.44Å; F829-V866 HydrophobicContact CE2-CG2 4.05Å; F829-V866 HydrophobicContact CZ-CG2 4.04Å; F829-Y943 VanDerWaalsContact CE2-OH 3.3Å; F829-Y943 WeakPolarHBondContact CE2-OH 3.39Å
830	T	95.8	Very high	95.5	Very high	75 Å²	75	67.4 Å²	67.4	46%	0.46	32%	0.321	S	S	.	.			trans	-67.6	164	165	65.7	0	0	0	0	110.9	Y828 A832 N833 L834	Y828-T830 PolarHBondContact O-N 3.45Å; T830-A832 PolarHBondContact O-N 2.82Å; T830-N833 CarbonylContact O-C 3.6Å; T830-N833 PolarHBondContact O-N 3.09Å; T830-N833 PolarHBondContact OG1-N 3.44Å; T830-L834 PolarHBondContact O-N 3.49Å
831	T	94.3	Very high	95.7	Very high	110 Å²	110	60.7 Å²	60.7	68%	0.675	29%	0.289	S	S	*	.	H	α-helix	trans	-50.5	-43.5	177	-46.4	0	0	0	0	112.6	N833 L834 E835	T831-N833 PolarHBondContact O-N 2.93Å; T831-L834 PolarHBondContact O-N 3.4Å; T831-E835 PolarHBondContact O-N 2.99Å
832	A	95.9	Very high	95.9	Very high	55 Å²	55	55.4 Å²	55.4	46%	0.455	27%	0.27	S	S	.	.	H	α-helix	trans	-65.4	-37.3	178.1	0	0	0	0	0	112.9	T830 E835 K836	T830-A832 PolarHBondContact O-N 2.82Å; A832-E835 PolarHBondContact O-N 3.32Å; A832-K836 PolarHBondContact O-N 2.97Å
833	N	96.8	Very high	96.1	Very high	20 Å²	20	55.3 Å²	55.3	11%	0.107	27%	0.27	C	S	.	.	H	α-helix	trans	-78.4	-25.8	177.5	-75.1	-19.7	0	0	0	112.4	Y828 T830 T831 K836 L837 M865	Y828-N833 HydrophobicContact CD1-CB 4.44Å; Y828-N833 HydrophobicContact CE1-CB 4.12Å; Y828-N833 WeakPolarHBondContact O-CB 3.4Å; Y828-N833 PolarHBondContact O-ND2 2.99Å; T830-N833 CarbonylContact O-C 3.6Å; T830-N833 PolarHBondContact O-N 3.09Å; T830-N833 PolarHBondContact OG1-N 3.44Å; T831-N833 PolarHBondContact O-N 2.93Å; N833-K836 PolarHBondContact O-N 3.41Å; N833-K836 WeakPolarHBondContact OD1-CE 3.19Å; N833-K836 PolarHBondContact OD1-NZ 3.23Å; N833-L837 PolarHBondContact O-N 2.91Å; N833-M865 WeakPolarHBondContact O-CE 3.45Å
834	L	97.3	Very high	96.4	Very high	31 Å²	31	54.6 Å²	54.6	16%	0.162	27%	0.265	C	S	.	.	H	α-helix	trans	-67.8	-35.9	168.7	-70.6	176.2	0	0	0	111.8	V819 F829 T830 T831 L837 R838	V819-L834 HydrophobicContact CG1-CB 4.05Å; V819-L834 HydrophobicContact CG1-CD2 4.17Å; V819-L834 WeakPolarHBondContact CG1-O 3.29Å; V819-L834 WeakPolarHBondContact O-CD2 3.42Å; F829-L834 HydrophobicContact CB-CD2 4.01Å; F829-L834 HydrophobicContact CB-CG 4.33Å; F829-L834 HydrophobicContact CD1-CD2 3.99Å; F829-L834 HydrophobicContact CG-CD2 4.35Å; T830-L834 PolarHBondContact O-N 3.49Å; T831-L834 PolarHBondContact O-N 3.4Å; L834-L837 HydrophobicContact CD2-CD2 4.18Å; L834-L837 WeakPolarHBondContact O-CB 3.43Å; L834-L837 PolarHBondContact O-N 3.23Å; L834-R838 WeakPolarHBondContact O-CB 3.45Å; L834-R838 PolarHBondContact O-N 3.42Å
835	E	97	Very high	96.7	Very high	107 Å²	107	45.8 Å²	45.8	50%	0.5	23%	0.232	S	C	.	.	H	α-helix	trans	-63.5	-42	171.2	-73.8	172.4	-171.7	0	0	111.9	T831 A832 L837 R838 N839	T831-E835 PolarHBondContact O-N 2.99Å; A832-E835 PolarHBondContact O-N 3.32Å; E835-L837 VanDerWaalsContact C-N 3.34Å; E835-L837 PolarHBondContact O-N 2.85Å; E835-R838 WeakPolarHBondContact O-CB 3.34Å; E835-R838 PolarHBondContact O-N 2.99Å; E835-N839 WeakPolarHBondContact O-CB 3.4Å; E835-N839 PolarHBondContact O-N 2.83Å; E835-N839 PolarHBondContact O-ND2 2.83Å
836	K	98.1	Very high	97.1	Very high	66 Å²	66	39.8 Å²	39.8	29%	0.287	20%	0.198	S	C	.	.	H	α-helix	trans	-61	-43.1	172.2	-66.7	176.2	-170.6	165.3	0	111.6	A832 N833 R838 N839 I840 M865 D869 E871	A832-K836 PolarHBondContact O-N 2.97Å; N833-K836 PolarHBondContact O-N 3.41Å; N833-K836 WeakPolarHBondContact OD1-CE 3.19Å; N833-K836 PolarHBondContact OD1-NZ 3.23Å; K836-R838 VanDerWaalsContact C-N 3.32Å; K836-R838 PolarHBondContact O-N 2.77Å; K836-N839 PolarHBondContact O-N 2.91Å; K836-I840 WeakPolarHBondContact O-CG1 3.21Å; K836-I840 PolarHBondContact O-N 3.29Å; K836-M865 HydrophobicContact CB-CE 3.54Å; K836-D869 IonicContact NZ-OD1 3.72Å; K836-E871 WeakPolarHBondContact CA-OE1 3.5Å; K836-E871 HydrophobicContact CB-CG 4.34Å
837	L	98.3	Very high	97.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.3	-47.5	177.2	-179.8	75.3	0	0	0	110.3	V819 C822 N833 L834 E835 I840 M841 C858 L861 M865	V819-L837 HydrophobicContact CB-CD2 4.43Å; V819-L837 HydrophobicContact CG1-CD2 4.27Å; V819-L837 HydrophobicContact CG2-CD2 4.08Å; V819-L837 HydrophobicContact CG2-CG 4.26Å; C822-L837 HydrophobicContact CB-CD2 3.69Å; N833-L837 PolarHBondContact O-N 2.91Å; L834-L837 HydrophobicContact CD2-CD2 4.18Å; L834-L837 WeakPolarHBondContact O-CB 3.43Å; L834-L837 PolarHBondContact O-N 3.23Å; E835-L837 VanDerWaalsContact C-N 3.34Å; E835-L837 PolarHBondContact O-N 2.85Å; L837-I840 PolarHBondContact O-N 2.93Å; L837-M841 WeakPolarHBondContact O-CB 3.36Å; L837-M841 WeakPolarHBondContact O-CG 3.24Å; L837-M841 PolarHBondContact O-N 3.22Å; L837-C858 HydrophobicContact CD2-CB 4.46Å; L837-L861 HydrophobicContact CD1-CB 4.11Å; L837-L861 HydrophobicContact CD1-CD2 3.52Å; L837-L861 HydrophobicContact CD1-CG 3.76Å; L837-L861 HydrophobicContact CG-CD2 4.48Å; L837-M865 VanDerWaalsContact CA-SD 3.55Å; L837-M865 HydrophobicContact CB-CE 4.14Å; L837-M865 HydrophobicContact CB-SD 3.71Å; L837-M865 HydrophobicContact CD1-SD 3.47Å; L837-M865 WeakPolarHBondContact CD1-SD 3.31Å; L837-M865 HydrophobicContact CG-SD 4.21Å
838	R	98.3	Very high	97.1	Very high	38 Å²	38	33.6 Å²	33.6	14%	0.143	18%	0.177	C	C	.	.	H	α-helix	trans	-58.3	-50.7	175	-174.6	-168.8	-171.1	-99.5	-7.5	111.7	E633 I815 D816 V819 L834 E835 K836 I840 M841 C842	E633-R838 IonicContact OE1-CZ 2.75Å; E633-R838 IonicContact OE1-NH1 2.62Å; E633-R838 PolarHBondContact OE1-NH1 2.82Å; E633-R838 IonicContact OE1-NH2 3.35Å; E633-R838 PolarHBondContact OE1-NH2 2.9Å; E633-R838 IonicContact OE2-NH1 3.1Å; E633-R838 PolarHBondContact OE2-NH1 2.86Å; E633-R838 IonicContact OE2-NH2 3.32Å; I815-R838 HydrophobicContact CG2-CG 4.28Å; D816-R838 IonicContact OD1-CZ 3.28Å; D816-R838 IonicContact OD1-NE 3.81Å; D816-R838 PolarHBondContact OD1-NE 3.48Å; D816-R838 IonicContact OD1-NH2 3.67Å; D816-R838 PolarHBondContact OD1-NH2 3.14Å; D816-R838 IonicContact OD2-NH2 3.8Å; D816-R838 PolarHBondContact OD2-NH2 3.13Å; V819-R838 HydrophobicContact CG1-CB 4.34Å; V819-R838 HydrophobicContact CG2-CB 4.15Å; L834-R838 WeakPolarHBondContact O-CB 3.45Å; L834-R838 PolarHBondContact O-N 3.42Å; E835-R838 WeakPolarHBondContact O-CB 3.34Å; E835-R838 PolarHBondContact O-N 2.99Å; K836-R838 VanDerWaalsContact C-N 3.32Å; K836-R838 PolarHBondContact O-N 2.77Å; R838-I840 VanDerWaalsContact C-N 3.34Å; R838-I840 PolarHBondContact O-N 3.05Å; R838-M841 PolarHBondContact O-N 3.42Å; R838-C842 WeakPolarHBondContact O-CB 3.47Å; R838-C842 PolarHBondContact O-N 2.93Å; R838-C842 PolarHBondContact O-SG 3.36Å
839	N	98.4	Very high	96.8	Very high	22 Å²	22	34.3 Å²	34.3	12%	0.118	18%	0.182	C	C	.	.	H	α-helix	trans	-59.5	-45	-177.9	-70.6	-26.9	0	0	0	111.7	Y622 M626 W629 K630 E835 K836 S843 E871	Y622-N839 WeakPolarHBondContact OH-CB 3.47Å; M626-N839 HydrophobicContact SD-CB 4.35Å; W629-N839 HydrophobicContact CZ2-CB 4.4Å; K630-N839 WeakPolarHBondContact CE-OD1 3.49Å; K630-N839 PolarHBondContact NZ-OD1 2.86Å; E835-N839 WeakPolarHBondContact O-CB 3.4Å; E835-N839 PolarHBondContact O-N 2.83Å; E835-N839 PolarHBondContact O-ND2 2.83Å; K836-N839 PolarHBondContact O-N 2.91Å; N839-S843 VanDerWaalsContact O-CB 3.3Å; N839-S843 WeakPolarHBondContact O-CB 3.36Å; N839-S843 PolarHBondContact O-N 3.11Å; N839-S843 PolarHBondContact O-OG 3.33Å; N839-E871 WeakPolarHBondContact CB-OE1 3.46Å; N839-E871 PolarHBondContact ND2-OE1 2.83Å
840	I	98.6	Very high	96.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63	-45.7	177.4	-63.4	168.5	0	0	0	110.7	K836 L837 R838 S843 Y844 L861 M865 E871 A874 Y875	K836-I840 WeakPolarHBondContact O-CG1 3.21Å; K836-I840 PolarHBondContact O-N 3.29Å; L837-I840 PolarHBondContact O-N 2.93Å; R838-I840 VanDerWaalsContact C-N 3.34Å; R838-I840 PolarHBondContact O-N 3.05Å; I840-S843 PolarHBondContact O-N 3.08Å; I840-Y844 PolarHBondContact O-N 3.3Å; I840-L861 HydrophobicContact CB-CD2 3.6Å; I840-L861 HydrophobicContact CD1-CD1 4.26Å; I840-L861 HydrophobicContact CD1-CD2 4.13Å; I840-L861 HydrophobicContact CG1-CD2 4.48Å; I840-L861 HydrophobicContact CG2-CD1 3.91Å; I840-L861 HydrophobicContact CG2-CD2 3.42Å; I840-L861 VanDerWaalsContact CG2-CD2 3.42Å; I840-L861 HydrophobicContact CG2-CG 4.37Å; I840-M865 HydrophobicContact CD1-CE 4.39Å; I840-M865 HydrophobicContact CD1-CG 4.15Å; I840-M865 HydrophobicContact CD1-SD 4.06Å; I840-E871 HydrophobicContact CD1-CG 3.87Å; I840-E871 HydrophobicContact CG1-CG 3.64Å; I840-A874 HydrophobicContact CD1-CB 3.88Å; I840-Y875 HydrophobicContact CG2-CD2 4.23Å
841	M	98.4	Very high	96	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.7	-50.5	177.8	-80	-64.2	123	0	0	112	I815 L837 R838 S843 Y844 V845 Y853 M857 L861 F878	I815-M841 HydrophobicContact CD1-CB 4.4Å; I815-M841 HydrophobicContact CG1-CB 4.41Å; I815-M841 HydrophobicContact CG2-CB 3.82Å; L837-M841 WeakPolarHBondContact O-CB 3.36Å; L837-M841 WeakPolarHBondContact O-CG 3.24Å; L837-M841 PolarHBondContact O-N 3.22Å; R838-M841 PolarHBondContact O-N 3.42Å; M841-S843 VanDerWaalsContact C-N 3.33Å; M841-S843 PolarHBondContact O-N 3.05Å; M841-Y844 PolarHBondContact O-N 2.87Å; M841-V845 WeakPolarHBondContact O-CB 3.28Å; M841-V845 VanDerWaalsContact O-CG2 3.31Å; M841-V845 WeakPolarHBondContact O-CG2 3.41Å; M841-V845 PolarHBondContact O-N 3.45Å; M841-Y853 HydrophobicContact SD-CD2 4.35Å; M841-Y853 HydrophobicContact SD-CE2 3.94Å; M841-M857 HydrophobicContact CE-CB 4.47Å; M841-M857 HydrophobicContact SD-CB 3.88Å; M841-M857 HydrophobicContact SD-CE 4.4Å; M841-L861 HydrophobicContact CE-CB 3.33Å; M841-L861 HydrophobicContact CE-CD2 3.26Å; M841-L861 HydrophobicContact CE-CG 3.87Å; M841-L861 HydrophobicContact CG-CD2 4.25Å; M841-F878 HydrophobicContact CE-CD1 4.11Å; M841-F878 HydrophobicContact CE-CD2 4.3Å; M841-F878 HydrophobicContact CE-CE1 3.53Å; M841-F878 HydrophobicContact CE-CE2 3.75Å; M841-F878 HydrophobicContact CE-CG 4.47Å; M841-F878 HydrophobicContact CE-CZ 3.35Å; M841-F878 HydrophobicContact SD-CE1 4.47Å; M841-F878 HydrophobicContact SD-CZ 4.33Å
842	C	98.3	Very high	95.9	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.034	18%	0.181	C	C	.	.	H	α-helix	trans	-60	-43.7	177.9	-67.7	0	0	0	0	111.4	W629 L812 R838 V845 W846	W629-C842 HydrophobicContact CD2-CB 3.65Å; W629-C842 VanDerWaalsContact CE2-CB 3.46Å; W629-C842 HydrophobicContact CE3-CB 3.79Å; W629-C842 HydrophobicContact CG-CB 4.35Å; W629-C842 HydrophobicContact CH2-CB 3.73Å; W629-C842 HydrophobicContact CZ2-CB 3.56Å; W629-C842 HydrophobicContact CZ3-CB 3.81Å; L812-C842 VanDerWaalsContact CD2-SG 3.57Å; R838-C842 WeakPolarHBondContact O-CB 3.47Å; R838-C842 PolarHBondContact O-N 2.93Å; R838-C842 PolarHBondContact O-SG 3.36Å; C842-V845 PolarHBondContact O-N 3.39Å; C842-W846 VanDerWaalsContact O-CB 3.25Å; C842-W846 WeakPolarHBondContact O-CB 3.41Å; C842-W846 PolarHBondContact O-N 3.06Å
843	S	98.4	Very high	95.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.5	-43.1	177.2	-68.9	0	0	0	0	112.5	Y622 V625 W629 N839 I840 M841 E847	Y622-S843 WeakPolarHBondContact CE2-OG 3.38Å; V625-S843 WeakPolarHBondContact CG1-O 3.39Å; W629-S843 PolarHBondContact NE1-OG 2.87Å; N839-S843 VanDerWaalsContact O-CB 3.3Å; N839-S843 WeakPolarHBondContact O-CB 3.36Å; N839-S843 PolarHBondContact O-N 3.11Å; N839-S843 PolarHBondContact O-OG 3.33Å; I840-S843 PolarHBondContact O-N 3.08Å; M841-S843 VanDerWaalsContact C-N 3.33Å; M841-S843 PolarHBondContact O-N 3.05Å; S843-E847 PolarHBondContact O-N 3.37Å
844	Y	98.1	Very high	95.7	Very high	6 Å²	6	34.8 Å²	34.8	2%	0.024	17%	0.165	C	C	.	.	H	α-helix	trans	-65.1	-46.6	176.7	176.4	-88.8	0	0	0	111.6	I840 M841 W846 E847 H848 M857 F878 T879 M882	I840-Y844 PolarHBondContact O-N 3.3Å; M841-Y844 PolarHBondContact O-N 2.87Å; Y844-W846 VanDerWaalsContact C-N 3.34Å; Y844-W846 PolarHBondContact O-N 2.63Å; Y844-E847 PolarHBondContact O-N 3.48Å; Y844-H848 AromaticContact CD2-CE1 3.94Å; Y844-H848 AromaticContact CD2-ND1 3.84Å; Y844-H848 HydrophobicContact CE1-CB 4.31Å; Y844-H848 AromaticContact CE2-CE1 3.63Å; Y844-H848 AromaticContact CE2-ND1 3.66Å; Y844-H848 AromaticContact CZ-CG 3.99Å; Y844-H848 AromaticContact CZ-ND1 3.78Å; Y844-H848 PolarHBondContact O-N 3.31Å; Y844-H848 PolarHBondContact O-ND1 3.44Å; Y844-M857 HydrophobicContact CD1-CE 3.4Å; Y844-M857 HydrophobicContact CE1-CE 3.39Å; Y844-F878 AromaticContact CD1-CE1 3.83Å; Y844-F878 HydrophobicContact CD1-CE1 3.83Å; Y844-F878 AromaticContact CD2-CD1 3.89Å; Y844-F878 HydrophobicContact CD2-CD1 3.89Å; Y844-F878 AromaticContact CD2-CE1 3.82Å; Y844-F878 HydrophobicContact CD2-CE1 3.82Å; Y844-F878 HydrophobicContact CE1-CE1 4.3Å; Y844-F878 HydrophobicContact CE2-CE1 4.28Å; Y844-F878 AromaticContact CG-CD1 3.98Å; Y844-F878 HydrophobicContact CG-CD1 3.98Å; Y844-F878 AromaticContact CG-CE1 3.58Å; Y844-F878 HydrophobicContact CG-CE1 3.58Å; Y844-T879 HydrophobicContact CE2-CG2 4.45Å; Y844-M882 HydrophobicContact CE1-CE 4.21Å; Y844-M882 HydrophobicContact CE1-CG 4.31Å; Y844-M882 HydrophobicContact CE2-CB 3.75Å; Y844-M882 HydrophobicContact CE2-CG 3.92Å; Y844-M882 VanDerWaalsContact OH-CB 3.23Å; Y844-M882 WeakPolarHBondContact OH-CB 3.39Å
845	V	97.4	Very high	95.5	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.024	18%	0.18	C	C	.	.	H	α-helix	trans	-66.6	-36.3	-178.1	171.7	0	0	0	0	111.5	N811 I815 M841 C842 E847 H848 L849 Y853 M857	N811-V845 HydrophobicContact CB-CG1 3.89Å; I815-V845 HydrophobicContact CD1-CB 4.26Å; I815-V845 HydrophobicContact CD1-CG2 4.1Å; M841-V845 WeakPolarHBondContact O-CB 3.28Å; M841-V845 VanDerWaalsContact O-CG2 3.31Å; M841-V845 WeakPolarHBondContact O-CG2 3.41Å; M841-V845 PolarHBondContact O-N 3.45Å; C842-V845 PolarHBondContact O-N 3.39Å; V845-E847 VanDerWaalsContact C-N 3.29Å; V845-E847 PolarHBondContact O-N 2.91Å; V845-H848 CarbonylContact O-C 3.2Å; V845-H848 PolarHBondContact O-N 2.94Å; V845-L849 HydrophobicContact CG1-CD2 4.39Å; V845-L849 WeakPolarHBondContact O-CA 3.49Å; V845-L849 WeakPolarHBondContact O-CG 3.36Å; V845-L849 PolarHBondContact O-N 3.06Å; V845-Y853 HydrophobicContact CG2-CD2 4.22Å; V845-M857 HydrophobicContact CG2-CE 4.21Å
846	W	96.8	Very high	95.2	Very high	35 Å²	35	33.2 Å²	33.2	13%	0.133	16%	0.159	C	C	.	.	H	α-helix	trans	-58.1	-40	174.5	-177.9	-101.1	0	0	0	112.8	V625 E628 W629 C632 Y800 V808 C842 Y844 H848 L849	V625-W846 HydrophobicContact CG1-CB 4.43Å; E628-W846 HydrophobicContact CB-CZ2 4.21Å; E628-W846 PolarHBondContact OE2-NE1 3.2Å; W629-W846 HydrophobicContact CB-CB 3.94Å; W629-W846 HydrophobicContact CB-CD2 3.51Å; W629-W846 HydrophobicContact CB-CE3 3.53Å; W629-W846 HydrophobicContact CB-CG 3.69Å; W629-W846 HydrophobicContact CB-CZ3 4.21Å; W629-W846 HydrophobicContact CG-CB 4.47Å; C632-W846 HydrophobicContact CB-CH2 3.54Å; C632-W846 HydrophobicContact CB-CZ3 3.64Å; Y800-W846 HydrophobicContact CE1-CH2 4.33Å; V808-W846 HydrophobicContact CG1-CZ3 4.23Å; V808-W846 HydrophobicContact CG2-CE3 4.08Å; V808-W846 HydrophobicContact CG2-CZ3 3.58Å; C842-W846 VanDerWaalsContact O-CB 3.25Å; C842-W846 WeakPolarHBondContact O-CB 3.41Å; C842-W846 PolarHBondContact O-N 3.06Å; Y844-W846 VanDerWaalsContact C-N 3.34Å; Y844-W846 PolarHBondContact O-N 2.63Å; W846-H848 VanDerWaalsContact C-N 3.3Å; W846-L849 HydrophobicContact CE3-CD1 4.37Å; W846-L849 WeakPolarHBondContact O-CG 3.35Å
847	E	95.4	Very high	95.2	Very high	52 Å²	52	30.1 Å²	30.1	24%	0.243	15%	0.145	C	C	.	.	H	α-helix	trans	-79.4	-13	176.9	-69.9	-170.7	126.2	0	0	113.8	R621 V625 S843 Y844 V845 Y875	R621-E847 IonicContact CZ-OE1 2.91Å; R621-E847 IonicContact NE-OE1 3.22Å; R621-E847 PolarHBondContact NE-OE1 2.64Å; R621-E847 IonicContact NH2-OE1 3.94Å; R621-E847 PolarHBondContact NH2-OE1 2.86Å; R621-E847 IonicContact NH2-OE2 2.91Å; V625-E847 HydrophobicContact CG1-CG 4.04Å; V625-E847 HydrophobicContact CG2-CG 3.88Å; V625-E847 WeakPolarHBondContact CG2-OE1 3.42Å; S843-E847 PolarHBondContact O-N 3.37Å; Y844-E847 PolarHBondContact O-N 3.48Å; V845-E847 VanDerWaalsContact C-N 3.29Å; V845-E847 PolarHBondContact O-N 2.91Å; E847-Y875 VanDerWaalsContact CD-OH 3.24Å; E847-Y875 PolarHBondContact OE2-OH 3.02Å
848	H	94.3	Very high	95.1	Very high	49 Å²	49	30.2 Å²	30.2	23%	0.227	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.6	41.5	-176.2	-55.7	84.9	0	0	0	111.3	Y844 V845 W846 E850 M851 G852	Y844-H848 AromaticContact CD2-CE1 3.94Å; Y844-H848 AromaticContact CD2-ND1 3.84Å; Y844-H848 HydrophobicContact CE1-CB 4.31Å; Y844-H848 AromaticContact CE2-CE1 3.63Å; Y844-H848 AromaticContact CE2-ND1 3.66Å; Y844-H848 AromaticContact CZ-CG 3.99Å; Y844-H848 AromaticContact CZ-ND1 3.78Å; Y844-H848 PolarHBondContact O-N 3.31Å; Y844-H848 PolarHBondContact O-ND1 3.44Å; V845-H848 CarbonylContact O-C 3.2Å; V845-H848 PolarHBondContact O-N 2.94Å; W846-H848 VanDerWaalsContact C-N 3.3Å; H848-E850 PolarHBondContact O-N 3.23Å; H848-E850 VanDerWaalsContact O-N 3.12Å; H848-M851 HydrophobicContact CB-CB 4.45Å; H848-M851 WeakPolarHBondContact O-CA 3.49Å; H848-M851 WeakPolarHBondContact O-CB 3.12Å; H848-M851 PolarHBondContact O-N 3.35Å; H848-G852 PolarHBondContact O-N 3.45Å
849	L	91.1	Very high	95.1	Very high	34 Å²	34	29.1 Å²	29.1	18%	0.178	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-29.4	-174.6	-79.1	170.5	0	0	0	113.7	L804 M807 V808 V845 W846 M851 G852	L804-L849 HydrophobicContact CD1-CD1 3.55Å; M807-L849 HydrophobicContact SD-CB 3.79Å; M807-L849 HydrophobicContact SD-CD2 4.26Å; M807-L849 HydrophobicContact SD-CG 4.5Å; V808-L849 HydrophobicContact CG2-CD1 4.39Å; V808-L849 HydrophobicContact CG2-CD2 4.06Å; V845-L849 HydrophobicContact CG1-CD2 4.39Å; V845-L849 WeakPolarHBondContact O-CA 3.49Å; V845-L849 WeakPolarHBondContact O-CG 3.36Å; V845-L849 PolarHBondContact O-N 3.06Å; W846-L849 HydrophobicContact CE3-CD1 4.37Å; W846-L849 WeakPolarHBondContact O-CG 3.35Å; L849-M851 VanDerWaalsContact C-N 3.26Å; L849-M851 PolarHBondContact O-N 2.81Å; L849-G852 PolarHBondContact O-N 3.33Å
850	E	86.7	Confident	95.1	Very high	182 Å²	182	28.1 Å²	28.1	85%	0.85	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-32.7	173.2	63.3	-164.4	-172.8	0	0	113.6	H848	H848-E850 PolarHBondContact O-N 3.23Å; H848-E850 VanDerWaalsContact O-N 3.12Å
851	M	88.8	Confident	95	Very high	55 Å²	55	28.1 Å²	28.1	27%	0.271	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-40.3	171.7	-176.7	-179.2	-62	0	0	110.7	H848 L849 M882 S886	H848-M851 HydrophobicContact CB-CB 4.45Å; H848-M851 WeakPolarHBondContact O-CA 3.49Å; H848-M851 WeakPolarHBondContact O-CB 3.12Å; H848-M851 PolarHBondContact O-N 3.35Å; L849-M851 VanDerWaalsContact C-N 3.26Å; L849-M851 PolarHBondContact O-N 2.81Å; M851-M882 HydrophobicContact SD-CE 4.34Å; M851-S886 VanDerWaalsContact CE-CB 3.44Å
852	G	91.9	Very high	95	Very high	5 Å²	5	28.1 Å²	28.1	5%	0.052	14%	0.137	C	C	.	.			trans	68.2	-168.5	-174.5	0	0	0	0	0	112.8	N811 H848 L849	N811-G852 WeakPolarHBondContact OD1-CA 3.41Å; H848-G852 PolarHBondContact O-N 3.45Å; L849-G852 PolarHBondContact O-N 3.33Å
853	Y	95.5	Very high	95	Very high	6 Å²	6	27.9 Å²	27.9	2%	0.024	14%	0.136	C	C	.	.			trans	-84.4	132.5	171.2	-177.6	-98.2	0	0	0	110.6	N811 R814 I815 D818 M841 V845 M857 C858	N811-Y853 WeakPolarHBondContact OD1-CB 3.24Å; N811-Y853 PolarHBondContact OD1-N 3.06Å; R814-Y853 HydrophobicContact CB-CD1 3.63Å; R814-Y853 HydrophobicContact CB-CE1 4.22Å; R814-Y853 HydrophobicContact CB-CG 4.5Å; I815-Y853 HydrophobicContact CD1-CD2 4.25Å; I815-Y853 HydrophobicContact CD1-CG 4.43Å; I815-Y853 HydrophobicContact CG1-CD1 4.24Å; I815-Y853 HydrophobicContact CG1-CD2 3.4Å; I815-Y853 HydrophobicContact CG1-CE2 3.96Å; I815-Y853 HydrophobicContact CG1-CG 3.56Å; D818-Y853 HydrophobicContact CB-CE1 4.15Å; D818-Y853 WeakPolarHBondContact CB-OH 3.27Å; D818-Y853 VanDerWaalsContact OD2-CE1 3.3Å; D818-Y853 WeakPolarHBondContact OD2-CE1 3.21Å; D818-Y853 PolarHBondContact OD2-OH 3.01Å; M841-Y853 HydrophobicContact SD-CD2 4.35Å; M841-Y853 HydrophobicContact SD-CE2 3.94Å; V845-Y853 HydrophobicContact CG2-CD2 4.22Å; Y853-M857 HydrophobicContact CD2-CB 4.29Å; Y853-M857 HydrophobicContact CD2-SD 4.15Å; Y853-M857 HydrophobicContact CE2-CB 3.78Å; Y853-C858 PolarHBondContact OH-SG 3.48Å
854	V	93.6	Very high	95	Very high	33 Å²	33	27.9 Å²	27.9	20%	0.2	14%	0.136	C	C	.	.			trans	-121.5	135.9	171.5	-170.5	0	0	0	0	109.4	G856 M857 F889	V854-G856 PolarHBondContact O-N 3.33Å; V854-M857 HydrophobicContact CB-SD 4.29Å; V854-M857 PolarHBondContact N-SD 3.4Å; V854-M857 WeakPolarHBondContact O-CB 3.49Å; V854-M857 VanDerWaalsContact O-CG 3.23Å; V854-M857 WeakPolarHBondContact O-CG 3.39Å; V854-M857 PolarHBondContact O-N 3.27Å; V854-M857 VanDerWaalsContact O-N 3.16Å; V854-F889 HydrophobicContact CB-CD1 3.63Å; V854-F889 HydrophobicContact CB-CE1 3.93Å; V854-F889 HydrophobicContact CB-CG 4.31Å; V854-F889 HydrophobicContact CG1-CD1 3.39Å; V854-F889 HydrophobicContact CG1-CE1 3.91Å; V854-F889 HydrophobicContact CG1-CG 4.29Å; V854-F889 HydrophobicContact CG2-CD1 4.28Å
855	Q	91.1	Very high	95	Very high	101 Å²	101	27.8 Å²	27.8	47%	0.472	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	132.7	178.4	179.9	177.5	-17	0	0	110.6	D818	D818-Q855 WeakPolarHBondContact OD2-CA 2.92Å
856	G	92.8	Very high	95	Very high	5 Å²	5	28.4 Å²	28.4	5%	0.052	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	103	-14	-174.6	0	0	0	0	0	114.5	V854 C858 D859 L860	V854-G856 PolarHBondContact O-N 3.33Å; G856-C858 VanDerWaalsContact C-N 3.3Å; G856-C858 PolarHBondContact O-N 3.32Å; G856-D859 WeakPolarHBondContact O-CB 3.27Å; G856-D859 PolarHBondContact O-N 2.99Å; G856-D859 VanDerWaalsContact O-N 3.13Å; G856-L860 PolarHBondContact O-N 2.67Å
857	M	96.8	Very high	95.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63	-34.8	174.9	-74	174.5	64.8	0	0	112.9	M841 Y844 V845 Y853 V854 D859 L860 L861 F878 M882 F889	M841-M857 HydrophobicContact CE-CB 4.47Å; M841-M857 HydrophobicContact SD-CB 3.88Å; M841-M857 HydrophobicContact SD-CE 4.4Å; Y844-M857 HydrophobicContact CD1-CE 3.4Å; Y844-M857 HydrophobicContact CE1-CE 3.39Å; V845-M857 HydrophobicContact CG2-CE 4.21Å; Y853-M857 HydrophobicContact CD2-CB 4.29Å; Y853-M857 HydrophobicContact CD2-SD 4.15Å; Y853-M857 HydrophobicContact CE2-CB 3.78Å; V854-M857 HydrophobicContact CB-SD 4.29Å; V854-M857 PolarHBondContact N-SD 3.4Å; V854-M857 WeakPolarHBondContact O-CB 3.49Å; V854-M857 VanDerWaalsContact O-CG 3.23Å; V854-M857 WeakPolarHBondContact O-CG 3.39Å; V854-M857 PolarHBondContact O-N 3.27Å; V854-M857 VanDerWaalsContact O-N 3.16Å; M857-D859 VanDerWaalsContact C-N 3.3Å; M857-D859 PolarHBondContact O-N 2.71Å; M857-L860 PolarHBondContact O-N 3.25Å; M857-L861 PolarHBondContact O-N 2.93Å; M857-L861 VanDerWaalsContact O-N 3.14Å; M857-F878 HydrophobicContact CB-CZ 4.34Å; M857-F878 HydrophobicContact CE-CE1 4.18Å; M857-F878 HydrophobicContact CE-CZ 3.99Å; M857-M882 HydrophobicContact CE-CE 4Å; M857-M882 HydrophobicContact CG-CE 4.18Å; M857-M882 HydrophobicContact SD-CE 4.27Å; M857-F889 HydrophobicContact CG-CE1 4.2Å; M857-F889 HydrophobicContact CG-CE2 4.38Å; M857-F889 HydrophobicContact CG-CZ 3.74Å
858	C	97	Very high	95.2	Very high	2 Å²	2	25 Å²	25	1%	0.014	13%	0.125	C	C	.	.	H	α-helix	trans	-60.7	-39.8	172.9	-70.1	0	0	0	0	112	C822 L837 Y853 G856 L860 L861 A862	C822-C858 HydrophobicContact CB-CB 4.36Å; L837-C858 HydrophobicContact CD2-CB 4.46Å; Y853-C858 PolarHBondContact OH-SG 3.48Å; G856-C858 VanDerWaalsContact C-N 3.3Å; G856-C858 PolarHBondContact O-N 3.32Å; C858-L860 VanDerWaalsContact C-N 3.26Å; C858-L860 PolarHBondContact O-N 3.14Å; C858-L861 PolarHBondContact O-N 3.44Å; C858-A862 WeakPolarHBondContact O-CB 3.46Å; C858-A862 PolarHBondContact O-N 3.1Å
859	D	97	Very high	95.3	Very high	16 Å²	16	26.7 Å²	26.7	9%	0.086	14%	0.136	C	C	.	.	H	α-helix	trans	-64.3	-33.6	179.1	-62.5	-17.8	0	0	0	111.7	G856 M857 P863 L935 K938 R939	G856-D859 WeakPolarHBondContact O-CB 3.27Å; G856-D859 PolarHBondContact O-N 2.99Å; G856-D859 VanDerWaalsContact O-N 3.13Å; M857-D859 VanDerWaalsContact C-N 3.3Å; M857-D859 PolarHBondContact O-N 2.71Å; D859-P863 WeakPolarHBondContact O-CD 3.42Å; D859-L935 HydrophobicContact CB-CD1 4.5Å; D859-L935 HydrophobicContact CB-CD2 4.3Å; D859-K938 HydrophobicContact CB-CG 4.1Å; D859-R939 IonicContact OD1-CZ 3.29Å; D859-R939 VanDerWaalsContact OD1-CZ 3.32Å; D859-R939 IonicContact OD1-NE 3.25Å; D859-R939 IonicContact OD1-NH2 3.94Å; D859-R939 PolarHBondContact OD1-NH2 2.88Å; D859-R939 IonicContact OD2-CZ 3.39Å; D859-R939 IonicContact OD2-NE 3.36Å; D859-R939 PolarHBondContact OD2-NE 3.1Å; D859-R939 IonicContact OD2-NH2 2.74Å; D859-R939 PolarHBondContact OD2-NH2 3.39Å; D859-R939 VanDerWaalsContact OD2-NH2 3.1Å
860	L	98.2	Very high	95.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-74.2	-32.9	176.3	-67.3	177.2	0	0	0	112.9	G856 M857 C858 F878 L881 M882 M885 F889 W950	G856-L860 PolarHBondContact O-N 2.67Å; M857-L860 PolarHBondContact O-N 3.25Å; C858-L860 VanDerWaalsContact C-N 3.26Å; C858-L860 PolarHBondContact O-N 3.14Å; L860-F878 HydrophobicContact CB-CE2 4.04Å; L860-L881 HydrophobicContact CB-CD2 4.32Å; L860-M882 HydrophobicContact CD1-SD 4.13Å; L860-M885 HydrophobicContact CD1-CB 3.99Å; L860-M885 HydrophobicContact CD1-CE 4.22Å; L860-M885 HydrophobicContact CD1-CG 4.1Å; L860-M885 HydrophobicContact CD2-CE 4.02Å; L860-F889 HydrophobicContact CD1-CE2 4.28Å; L860-F889 HydrophobicContact CD1-CZ 3.94Å; L860-W950 HydrophobicContact CD2-CH2 4.23Å; L860-W950 HydrophobicContact CD2-CZ2 4.01Å; L860-W950 VanDerWaalsContact O-CH2 3.31Å; L860-W950 WeakPolarHBondContact O-CH2 3.19Å
861	L	98.5	Very high	96	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-78.7	-34.3	177.8	174.9	61.3	0	0	0	112.5	L837 I840 M841 M857 C858 L864 M865 A874 F878	L837-L861 HydrophobicContact CD1-CB 4.11Å; L837-L861 HydrophobicContact CD1-CD2 3.52Å; L837-L861 HydrophobicContact CD1-CG 3.76Å; L837-L861 HydrophobicContact CG-CD2 4.48Å; I840-L861 HydrophobicContact CB-CD2 3.6Å; I840-L861 HydrophobicContact CD1-CD1 4.26Å; I840-L861 HydrophobicContact CD1-CD2 4.13Å; I840-L861 HydrophobicContact CG1-CD2 4.48Å; I840-L861 HydrophobicContact CG2-CD1 3.91Å; I840-L861 HydrophobicContact CG2-CD2 3.42Å; I840-L861 VanDerWaalsContact CG2-CD2 3.42Å; I840-L861 HydrophobicContact CG2-CG 4.37Å; M841-L861 HydrophobicContact CE-CB 3.33Å; M841-L861 HydrophobicContact CE-CD2 3.26Å; M841-L861 HydrophobicContact CE-CG 3.87Å; M841-L861 HydrophobicContact CG-CD2 4.25Å; M857-L861 PolarHBondContact O-N 2.93Å; M857-L861 VanDerWaalsContact O-N 3.14Å; C858-L861 PolarHBondContact O-N 3.44Å; L861-L864 HydrophobicContact CD1-CB 4.39Å; L861-L864 WeakPolarHBondContact O-CB 3.17Å; L861-L864 PolarHBondContact O-N 3.01Å; L861-M865 HydrophobicContact CD1-CG 3.91Å; L861-M865 HydrophobicContact CD1-SD 4.47Å; L861-M865 HydrophobicContact CD2-CG 4.46Å; L861-M865 HydrophobicContact CD2-SD 3.98Å; L861-M865 HydrophobicContact CG-CG 3.89Å; L861-M865 HydrophobicContact CG-SD 3.92Å; L861-M865 PolarHBondContact O-N 3.13Å; L861-A874 HydrophobicContact CD1-CB 4.46Å; L861-F878 HydrophobicContact CB-CD2 3.78Å; L861-F878 HydrophobicContact CB-CE2 3.94Å; L861-F878 HydrophobicContact CB-CG 4.4Å; L861-F878 HydrophobicContact CD1-CB 3.81Å; L861-F878 HydrophobicContact CD1-CD2 4.07Å; L861-F878 HydrophobicContact CD1-CG 3.98Å; L861-F878 HydrophobicContact CG-CD2 4.48Å
862	A	98	Very high	96.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-52.5	-49.8	-172.1	0	0	0	0	0	113.8	F829 C858 L864 M865 V866 Y943	F829-A862 HydrophobicContact CE1-CB 4.18Å; F829-A862 HydrophobicContact CE2-CB 4.15Å; F829-A862 HydrophobicContact CZ-CB 3.44Å; F829-A862 VanDerWaalsContact CZ-CB 3.44Å; C858-A862 WeakPolarHBondContact O-CB 3.46Å; C858-A862 PolarHBondContact O-N 3.1Å; A862-L864 VanDerWaalsContact C-N 3.33Å; A862-L864 PolarHBondContact O-N 2.92Å; A862-M865 PolarHBondContact O-N 3.2Å; A862-V866 WeakPolarHBondContact O-CG2 3.42Å; A862-V866 PolarHBondContact O-N 3.32Å; A862-V866 VanDerWaalsContact O-N 3.08Å; A862-Y943 WeakPolarHBondContact CB-OH 3.49Å
863	P	98.1	Very high	96.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.4	-37.2	174.2	-26.6	36.6	0	0	0	114.7	D859 M865 V866 I867 K938 Y943 V946 F947 W950	D859-P863 WeakPolarHBondContact O-CD 3.42Å; P863-M865 VanDerWaalsContact C-N 3.34Å; P863-V866 PolarHBondContact O-N 3.01Å; P863-I867 PolarHBondContact O-N 2.96Å; P863-K938 HydrophobicContact CG-CD 3.72Å; P863-Y943 HydrophobicContact CB-CE1 4.32Å; P863-Y943 HydrophobicContact CG-CE1 4.12Å; P863-V946 HydrophobicContact CB-CG1 4.3Å; P863-V946 HydrophobicContact CG-CG1 3.99Å; P863-F947 HydrophobicContact CB-CD1 4.43Å; P863-F947 HydrophobicContact CB-CE1 4Å; P863-W950 HydrophobicContact CB-CE3 4.18Å; P863-W950 HydrophobicContact CB-CH2 4.01Å; P863-W950 HydrophobicContact CB-CZ3 3.65Å; P863-W950 HydrophobicContact CG-CH2 3.64Å; P863-W950 HydrophobicContact CG-CZ2 4.25Å; P863-W950 HydrophobicContact CG-CZ3 3.84Å
864	L	98.4	Very high	96.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65.2	-40.9	177.9	-59.5	179.7	0	0	0	110.8	W595 L599 L861 A862 L868 C877 F878 L881 W950 W954	W595-L864 HydrophobicContact CE3-CD2 3.85Å; W595-L864 HydrophobicContact CZ3-CD2 3.8Å; L599-L864 HydrophobicContact CD1-CD2 3.58Å; L861-L864 HydrophobicContact CD1-CB 4.39Å; L861-L864 WeakPolarHBondContact O-CB 3.17Å; L861-L864 PolarHBondContact O-N 3.01Å; A862-L864 VanDerWaalsContact C-N 3.33Å; A862-L864 PolarHBondContact O-N 2.92Å; L864-L868 HydrophobicContact CB-CD1 4.24Å; L864-L868 WeakPolarHBondContact O-CB 3.16Å; L864-L868 WeakPolarHBondContact O-CG 3.45Å; L864-L868 PolarHBondContact O-N 2.81Å; L864-C877 HydrophobicContact CD1-CB 4.3Å; L864-F878 HydrophobicContact CD1-CB 3.87Å; L864-F878 HydrophobicContact CD1-CD2 4.26Å; L864-L881 HydrophobicContact CD1-CD2 4.05Å; L864-W950 HydrophobicContact CD2-CZ3 4.39Å; L864-W950 HydrophobicContact CG-CZ3 4.45Å; L864-W954 HydrophobicContact CD2-CH2 4.2Å; L864-W954 HydrophobicContact CD2-CZ2 4.44Å
865	M	97.9	Very high	97	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.02	10%	0.102	C	C	.	.	H	α-helix	trans	-65.5	-44.4	177	-69.7	-174.6	66	0	0	112	Y828 N833 K836 L837 I840 L861 A862 P863 I867 D869 A874	Y828-M865 HydrophobicContact CE1-CB 3.81Å; Y828-M865 HydrophobicContact CE1-CE 4.39Å; Y828-M865 PolarHBondContact OH-O 2.84Å; N833-M865 WeakPolarHBondContact O-CE 3.45Å; K836-M865 HydrophobicContact CB-CE 3.54Å; L837-M865 VanDerWaalsContact CA-SD 3.55Å; L837-M865 HydrophobicContact CB-CE 4.14Å; L837-M865 HydrophobicContact CB-SD 3.71Å; L837-M865 HydrophobicContact CD1-SD 3.47Å; L837-M865 WeakPolarHBondContact CD1-SD 3.31Å; L837-M865 HydrophobicContact CG-SD 4.21Å; I840-M865 HydrophobicContact CD1-CE 4.39Å; I840-M865 HydrophobicContact CD1-CG 4.15Å; I840-M865 HydrophobicContact CD1-SD 4.06Å; L861-M865 HydrophobicContact CD1-CG 3.91Å; L861-M865 HydrophobicContact CD1-SD 4.47Å; L861-M865 HydrophobicContact CD2-CG 4.46Å; L861-M865 HydrophobicContact CD2-SD 3.98Å; L861-M865 HydrophobicContact CG-CG 3.89Å; L861-M865 HydrophobicContact CG-SD 3.92Å; L861-M865 PolarHBondContact O-N 3.13Å; A862-M865 PolarHBondContact O-N 3.2Å; P863-M865 VanDerWaalsContact C-N 3.34Å; M865-I867 VanDerWaalsContact C-N 3.29Å; M865-I867 PolarHBondContact O-N 3.35Å; M865-D869 WeakPolarHBondContact O-CA 3.35Å; M865-D869 PolarHBondContact O-N 2.86Å; M865-A874 HydrophobicContact CG-CB 4.25Å
866	V	97.8	Very high	97.3	Very high	18 Å²	18	14.9 Å²	14.9	11%	0.109	8%	0.081	C	C	.	.	H	α-helix	trans	-58.5	-40.7	-179.9	172.5	0	0	0	0	111.7	Y826 Y828 F829 A862 P863 Y943 F947	Y826-V866 HydrophobicContact CD1-CG2 4.21Å; Y826-V866 HydrophobicContact CE1-CG1 3.86Å; Y826-V866 HydrophobicContact CE1-CG2 3.76Å; Y828-V866 HydrophobicContact CD1-CG2 3.64Å; Y828-V866 HydrophobicContact CE1-CG2 4.28Å; Y828-V866 HydrophobicContact CG-CB 4.47Å; Y828-V866 HydrophobicContact CG-CG2 3.8Å; F829-V866 HydrophobicContact CE2-CG2 4.05Å; F829-V866 HydrophobicContact CZ-CG2 4.04Å; A862-V866 WeakPolarHBondContact O-CG2 3.42Å; A862-V866 PolarHBondContact O-N 3.32Å; A862-V866 VanDerWaalsContact O-N 3.08Å; P863-V866 PolarHBondContact O-N 3.01Å; V866-Y943 HydrophobicContact CB-CD1 4.49Å; V866-Y943 HydrophobicContact CB-CE1 4.22Å; V866-Y943 HydrophobicContact CG1-CD1 4.43Å; V866-Y943 HydrophobicContact CG2-CD1 4.3Å; V866-Y943 HydrophobicContact CG2-CE1 3.68Å; V866-F947 HydrophobicContact CG1-CZ 3.97Å
867	I	97.9	Very high	97.6	Very high	16 Å²	16	14.7 Å²	14.7	8%	0.082	8%	0.079	C	C	.	.	H	α-helix	trans	-82.3	-43.3	-179.4	-70	-59.5	0	0	0	112.9	R591 W595 P863 M865 F947	R591-I867 HydrophobicContact CB-CD1 4.3Å; R591-I867 HydrophobicContact CB-CG2 3.69Å; W595-I867 HydrophobicContact CD2-CB 4.41Å; W595-I867 HydrophobicContact CD2-CG2 3.84Å; W595-I867 HydrophobicContact CE3-CB 3.88Å; W595-I867 HydrophobicContact CE3-CG1 4.18Å; W595-I867 HydrophobicContact CE3-CG2 3.72Å; W595-I867 HydrophobicContact CG-CG2 4.36Å; W595-I867 HydrophobicContact CH2-CB 4.16Å; W595-I867 HydrophobicContact CH2-CG1 3.54Å; W595-I867 HydrophobicContact CZ2-CG1 3.93Å; W595-I867 HydrophobicContact CZ3-CB 3.72Å; W595-I867 HydrophobicContact CZ3-CG1 3.65Å; W595-I867 HydrophobicContact CZ3-CG2 4.08Å; P863-I867 PolarHBondContact O-N 2.96Å; M865-I867 VanDerWaalsContact C-N 3.29Å; M865-I867 PolarHBondContact O-N 3.35Å; I867-F947 HydrophobicContact CD1-CD1 4.5Å; I867-F947 HydrophobicContact CD1-CD2 3.97Å; I867-F947 HydrophobicContact CD1-CE1 4.12Å; I867-F947 HydrophobicContact CD1-CE2 3.59Å; I867-F947 HydrophobicContact CD1-CG 4.4Å; I867-F947 HydrophobicContact CD1-CZ 3.64Å; I867-F947 HydrophobicContact CG1-CD1 4.14Å; I867-F947 HydrophobicContact CG1-CD2 4.48Å; I867-F947 HydrophobicContact CG1-CE1 3.72Å; I867-F947 HydrophobicContact CG1-CE2 4.14Å; I867-F947 HydrophobicContact CG1-CG 4.47Å; I867-F947 HydrophobicContact CG1-CZ 3.72Å
868	L	97.6	Very high	97.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-82.7	-36	-171.1	-61.2	170.5	0	0	0	112	K592 P596 L864 D870 L873 A874 C877	K592-L868 WeakPolarHBondContact CD-O 3.43Å; K592-L868 WeakPolarHBondContact CE-O 3.41Å; K592-L868 PolarHBondContact NZ-O 3.3Å; P596-L868 HydrophobicContact CG-CD2 3.97Å; L864-L868 HydrophobicContact CB-CD1 4.24Å; L864-L868 WeakPolarHBondContact O-CB 3.16Å; L864-L868 WeakPolarHBondContact O-CG 3.45Å; L864-L868 PolarHBondContact O-N 2.81Å; L868-D870 PolarHBondContact O-N 3.39Å; L868-D870 VanDerWaalsContact O-N 3.07Å; L868-L873 HydrophobicContact CD1-CG 4.29Å; L868-L873 HydrophobicContact CD2-CD2 3.94Å; L868-L873 HydrophobicContact CD2-CG 4.3Å; L868-A874 HydrophobicContact CD1-CB 4.18Å; L868-C877 HydrophobicContact CD1-CB 3.84Å
869	D	95.9	Very high	97.7	Very high	84 Å²	84	15.8 Å²	15.8	45%	0.449	9%	0.086	S	C	.	.			trans	42.1	42.5	-175.3	-169.5	30.1	0	0	0	112.8	Y828 K836 M865	Y828-D869 HydrophobicContact CE2-CB 4.39Å; Y828-D869 PolarHBondContact OH-OD1 3.32Å; K836-D869 IonicContact NZ-OD1 3.72Å; M865-D869 WeakPolarHBondContact O-CA 3.35Å; M865-D869 PolarHBondContact O-N 2.86Å
870	D	96.3	Very high	97.7	Very high	76 Å²	76	17.6 Å²	17.6	41%	0.406	9%	0.094	S	C	.	.			trans	-146.9	122.1	174.6	179.9	-77.3	0	0	0	108	L868 S872 L873 A874	L868-D870 PolarHBondContact O-N 3.39Å; L868-D870 VanDerWaalsContact O-N 3.07Å; D870-S872 PolarHBondContact OD1-N 2.98Å; D870-S872 VanDerWaalsContact OD1-N 3.08Å; D870-L873 HydrophobicContact CB-CB 3.97Å; D870-L873 VanDerWaalsContact OD1-CB 3.3Å; D870-L873 WeakPolarHBondContact OD1-CB 3.43Å; D870-L873 PolarHBondContact OD1-N 3.44Å; D870-A874 WeakPolarHBondContact O-CB 3.31Å; D870-A874 PolarHBondContact O-N 2.89Å
871	E	96.1	Very high	97.7	Very high	43 Å²	43	17.8 Å²	17.8	20%	0.201	10%	0.095	C	C	.	.	H	α-helix	trans	-68.4	-40	-169.7	-163.1	178.2	-160.9	0	0	112.3	Y622 K836 N839 I840 Y875	Y622-E871 HydrophobicContact CE1-CB 4.47Å; Y622-E871 HydrophobicContact CE1-CG 3.86Å; Y622-E871 VanDerWaalsContact OH-CG 3.28Å; Y622-E871 WeakPolarHBondContact OH-CG 3.35Å; Y622-E871 PolarHBondContact OH-OE1 3.45Å; K836-E871 WeakPolarHBondContact CA-OE1 3.5Å; K836-E871 HydrophobicContact CB-CG 4.34Å; N839-E871 WeakPolarHBondContact CB-OE1 3.46Å; N839-E871 PolarHBondContact ND2-OE1 2.83Å; I840-E871 HydrophobicContact CD1-CG 3.87Å; I840-E871 HydrophobicContact CG1-CG 3.64Å; E871-Y875 VanDerWaalsContact O-CB 3.27Å; E871-Y875 WeakPolarHBondContact O-CB 3.49Å; E871-Y875 PolarHBondContact O-N 3.45Å
872	S	96.9	Very high	97.6	Very high	14 Å²	14	17.9 Å²	17.9	10%	0.098	10%	0.095	C	C	.	.	H	α-helix	trans	-71.7	-43.1	-178.8	-64.4	0	0	0	0	111.4	S619 D870 S876	S619-S872 WeakPolarHBondContact OG-CB 3.22Å; S619-S872 PolarHBondContact OG-OG 3.23Å; D870-S872 PolarHBondContact OD1-N 2.98Å; D870-S872 VanDerWaalsContact OD1-N 3.08Å; S872-S876 PolarHBondContact O-N 3.47Å
873	L	97.6	Very high	97.4	Very high	23 Å²	23	23.9 Å²	23.9	12%	0.12	12%	0.121	C	C	.	.	H	α-helix	trans	-67.7	-43.4	177.5	-175.7	59.9	0	0	0	111	P596 H601 L868 D870 S876 C877	P596-L873 HydrophobicContact CB-CD1 4.22Å; P596-L873 HydrophobicContact CG-CD1 4.05Å; P596-L873 HydrophobicContact CG-CD2 4.06Å; P596-L873 HydrophobicContact CG-CG 4.34Å; H601-L873 VanDerWaalsContact CD2-CD1 3.46Å; H601-L873 WeakPolarHBondContact CD2-CD1 3.49Å; H601-L873 WeakPolarHBondContact NE2-CD1 3.3Å; L868-L873 HydrophobicContact CD1-CG 4.29Å; L868-L873 HydrophobicContact CD2-CD2 3.94Å; L868-L873 HydrophobicContact CD2-CG 4.3Å; D870-L873 HydrophobicContact CB-CB 3.97Å; D870-L873 VanDerWaalsContact OD1-CB 3.3Å; D870-L873 WeakPolarHBondContact OD1-CB 3.43Å; D870-L873 PolarHBondContact OD1-N 3.44Å; L873-S876 PolarHBondContact O-N 3.25Å; L873-C877 WeakPolarHBondContact O-CB 3.4Å; L873-C877 PolarHBondContact O-N 2.92Å; L873-C877 PolarHBondContact O-SG 3.44Å
874	A	98.5	Very high	97.2	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-62.1	-44.5	175.6	0	0	0	0	0	111.6	I840 L861 M865 L868 D870 S876 C877 F878	I840-A874 HydrophobicContact CD1-CB 3.88Å; L861-A874 HydrophobicContact CD1-CB 4.46Å; M865-A874 HydrophobicContact CG-CB 4.25Å; L868-A874 HydrophobicContact CD1-CB 4.18Å; D870-A874 WeakPolarHBondContact O-CB 3.31Å; D870-A874 PolarHBondContact O-N 2.89Å; A874-S876 VanDerWaalsContact C-N 3.33Å; A874-S876 PolarHBondContact O-N 3.14Å; A874-C877 PolarHBondContact O-N 3.39Å; A874-F878 WeakPolarHBondContact O-CB 3.25Å; A874-F878 PolarHBondContact O-N 2.99Å
875	Y	98.4	Very high	97	Very high	5 Å²	5	27.9 Å²	27.9	2%	0.02	14%	0.136	C	C	.	.	H	α-helix	trans	-57.2	-43.8	172.9	161.4	-101.3	0	0	0	112.5	Y622 I840 E847 E871 T879	Y622-Y875 AromaticContact CD2-CD1 3.49Å; Y622-Y875 HydrophobicContact CD2-CD1 3.49Å; Y622-Y875 VanDerWaalsContact CD2-CD1 3.49Å; Y622-Y875 AromaticContact CD2-CD2 3.81Å; Y622-Y875 HydrophobicContact CD2-CD2 3.81Å; Y622-Y875 AromaticContact CD2-CE1 3.88Å; Y622-Y875 HydrophobicContact CD2-CE1 3.88Å; Y622-Y875 HydrophobicContact CD2-CE2 4.19Å; Y622-Y875 AromaticContact CD2-CG 3.43Å; Y622-Y875 HydrophobicContact CD2-CG 3.43Å; Y622-Y875 VanDerWaalsContact CD2-CG 3.43Å; Y622-Y875 HydrophobicContact CE2-CD1 4.32Å; Y622-Y875 AromaticContact CE2-CD2 3.99Å; Y622-Y875 HydrophobicContact CE2-CD2 3.99Å; Y622-Y875 AromaticContact CE2-CG 3.81Å; Y622-Y875 HydrophobicContact CE2-CG 3.81Å; Y622-Y875 HydrophobicContact CG-CD1 4.03Å; Y622-Y875 HydrophobicContact CG-CE1 4.42Å; Y622-Y875 HydrophobicContact CG-CG 4.32Å; I840-Y875 HydrophobicContact CG2-CD2 4.23Å; E847-Y875 VanDerWaalsContact CD-OH 3.24Å; E847-Y875 PolarHBondContact OE2-OH 3.02Å; E871-Y875 VanDerWaalsContact O-CB 3.27Å; E871-Y875 WeakPolarHBondContact O-CB 3.49Å; E871-Y875 PolarHBondContact O-N 3.45Å; Y875-T879 WeakPolarHBondContact O-CB 3.49Å; Y875-T879 PolarHBondContact O-N 3.2Å; Y875-T879 PolarHBondContact O-OG1 3.45Å
876	S	98.2	Very high	96.6	Very high	6 Å²	6	29 Å²	29	4%	0.042	14%	0.144	C	C	.	.	H	α-helix	trans	-68.7	-44.7	179	-163.1	0	0	0	0	112.6	H601 S872 L873 A874 F878 T879 Q880	H601-S876 PolarHBondContact CE1-OG 3.1Å; H601-S876 VanDerWaalsContact ND1-CB 3.27Å; H601-S876 WeakPolarHBondContact ND1-CB 3.39Å; H601-S876 PolarHBondContact ND1-OG 2.81Å; S872-S876 PolarHBondContact O-N 3.47Å; L873-S876 PolarHBondContact O-N 3.25Å; A874-S876 VanDerWaalsContact C-N 3.33Å; A874-S876 PolarHBondContact O-N 3.14Å; S876-F878 VanDerWaalsContact C-N 3.33Å; S876-F878 PolarHBondContact O-N 3.46Å; S876-T879 WeakPolarHBondContact O-CB 3.26Å; S876-T879 PolarHBondContact O-N 2.88Å; S876-Q880 WeakPolarHBondContact O-CG 3.4Å; S876-Q880 PolarHBondContact O-N 3.08Å; S876-Q880 VanDerWaalsContact O-N 3.08Å
877	C	98.6	Very high	96.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-42.5	176	-72.3	0	0	0	0	111.3	L599 L864 L868 L873 A874 Q880 L881	L599-C877 HydrophobicContact CD1-CB 3.72Å; L864-C877 HydrophobicContact CD1-CB 4.3Å; L868-C877 HydrophobicContact CD1-CB 3.84Å; L873-C877 WeakPolarHBondContact O-CB 3.4Å; L873-C877 PolarHBondContact O-N 2.92Å; L873-C877 PolarHBondContact O-SG 3.44Å; A874-C877 PolarHBondContact O-N 3.39Å; C877-Q880 PolarHBondContact O-N 3.35Å; C877-L881 PolarHBondContact O-N 3.4Å
878	F	98.6	Very high	95.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62	-43.5	174.7	-179.5	-105.8	0	0	0	112	M841 Y844 M857 L860 L861 L864 A874 S876 Q880 L881 M882	M841-F878 HydrophobicContact CE-CD1 4.11Å; M841-F878 HydrophobicContact CE-CD2 4.3Å; M841-F878 HydrophobicContact CE-CE1 3.53Å; M841-F878 HydrophobicContact CE-CE2 3.75Å; M841-F878 HydrophobicContact CE-CG 4.47Å; M841-F878 HydrophobicContact CE-CZ 3.35Å; M841-F878 HydrophobicContact SD-CE1 4.47Å; M841-F878 HydrophobicContact SD-CZ 4.33Å; Y844-F878 AromaticContact CD1-CE1 3.83Å; Y844-F878 HydrophobicContact CD1-CE1 3.83Å; Y844-F878 AromaticContact CD2-CD1 3.89Å; Y844-F878 HydrophobicContact CD2-CD1 3.89Å; Y844-F878 AromaticContact CD2-CE1 3.82Å; Y844-F878 HydrophobicContact CD2-CE1 3.82Å; Y844-F878 HydrophobicContact CE1-CE1 4.3Å; Y844-F878 HydrophobicContact CE2-CE1 4.28Å; Y844-F878 AromaticContact CG-CD1 3.98Å; Y844-F878 HydrophobicContact CG-CD1 3.98Å; Y844-F878 AromaticContact CG-CE1 3.58Å; Y844-F878 HydrophobicContact CG-CE1 3.58Å; M857-F878 HydrophobicContact CB-CZ 4.34Å; M857-F878 HydrophobicContact CE-CE1 4.18Å; M857-F878 HydrophobicContact CE-CZ 3.99Å; L860-F878 HydrophobicContact CB-CE2 4.04Å; L861-F878 HydrophobicContact CB-CD2 3.78Å; L861-F878 HydrophobicContact CB-CE2 3.94Å; L861-F878 HydrophobicContact CB-CG 4.4Å; L861-F878 HydrophobicContact CD1-CB 3.81Å; L861-F878 HydrophobicContact CD1-CD2 4.07Å; L861-F878 HydrophobicContact CD1-CG 3.98Å; L861-F878 HydrophobicContact CG-CD2 4.48Å; L864-F878 HydrophobicContact CD1-CB 3.87Å; L864-F878 HydrophobicContact CD1-CD2 4.26Å; A874-F878 WeakPolarHBondContact O-CB 3.25Å; A874-F878 PolarHBondContact O-N 2.99Å; S876-F878 VanDerWaalsContact C-N 3.33Å; S876-F878 PolarHBondContact O-N 3.46Å; F878-Q880 VanDerWaalsContact C-N 3.25Å; F878-Q880 PolarHBondContact O-N 2.83Å; F878-L881 WeakPolarHBondContact O-CB 3.41Å; F878-L881 PolarHBondContact O-N 2.99Å; F878-L881 VanDerWaalsContact O-N 3.14Å; F878-M882 HydrophobicContact CD1-CG 4.1Å; F878-M882 HydrophobicContact CD2-CG 4.26Å; F878-M882 HydrophobicContact CE1-CG 3.59Å; F878-M882 HydrophobicContact CE1-SD 4.38Å; F878-M882 HydrophobicContact CE2-CG 3.77Å; F878-M882 HydrophobicContact CE2-SD 3.9Å; F878-M882 HydrophobicContact CG-CG 4.4Å; F878-M882 HydrophobicContact CZ-CG 3.38Å; F878-M882 HydrophobicContact CZ-SD 3.62Å; F878-M882 WeakPolarHBondContact O-CB 3.15Å; F878-M882 WeakPolarHBondContact O-CG 3.49Å; F878-M882 PolarHBondContact O-N 3.2Å
879	T	97.6	Very high	95.5	Very high	26 Å²	26	33.7 Å²	33.7	16%	0.16	17%	0.165	C	C	.	.	H	α-helix	trans	-59	-37.9	175.5	-59	0	0	0	0	111.7	Y844 Y875 S876 K883	Y844-T879 HydrophobicContact CE2-CG2 4.45Å; Y875-T879 WeakPolarHBondContact O-CB 3.49Å; Y875-T879 PolarHBondContact O-N 3.2Å; Y875-T879 PolarHBondContact O-OG1 3.45Å; S876-T879 WeakPolarHBondContact O-CB 3.26Å; S876-T879 PolarHBondContact O-N 2.88Å; T879-K883 PolarHBondContact O-N 3.15Å
880	Q	97.6	Very high	94.7	Very high	54 Å²	54	34.2 Å²	34.2	25%	0.252	17%	0.173	S	C	.	.	H	α-helix	trans	-71.2	-42	174.6	-60.1	-66.5	-14.6	0	0	112.5	L599 S876 C877 F878 M882 K883	L599-Q880 WeakPolarHBondContact O-CB 3.18Å; L599-Q880 WeakPolarHBondContact O-CG 3.5Å; S876-Q880 WeakPolarHBondContact O-CG 3.4Å; S876-Q880 PolarHBondContact O-N 3.08Å; S876-Q880 VanDerWaalsContact O-N 3.08Å; C877-Q880 PolarHBondContact O-N 3.35Å; F878-Q880 VanDerWaalsContact C-N 3.25Å; F878-Q880 PolarHBondContact O-N 2.83Å; Q880-M882 VanDerWaalsContact C-N 3.28Å; Q880-M882 PolarHBondContact O-N 3.42Å; Q880-K883 WeakPolarHBondContact O-CB 3.35Å; Q880-K883 PolarHBondContact O-N 2.87Å
881	L	97.7	Very high	93.7	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-56.9	-44	175.4	177.9	60.8	0	0	0	111.1	L599 L860 L864 C877 F878 K883 R884 M885 W950	L599-L881 HydrophobicContact CD2-CB 4.25Å; L599-L881 HydrophobicContact CD2-CD1 4.39Å; L860-L881 HydrophobicContact CB-CD2 4.32Å; L864-L881 HydrophobicContact CD1-CD2 4.05Å; C877-L881 PolarHBondContact O-N 3.4Å; F878-L881 WeakPolarHBondContact O-CB 3.41Å; F878-L881 PolarHBondContact O-N 2.99Å; F878-L881 VanDerWaalsContact O-N 3.14Å; L881-K883 PolarHBondContact O-N 3.4Å; L881-R884 VanDerWaalsContact CD1-NH2 3.35Å; L881-R884 PolarHBondContact O-N 3.4Å; L881-M885 HydrophobicContact CD1-CG 3.89Å; L881-M885 HydrophobicContact CG-CG 3.99Å; L881-M885 PolarHBondContact O-N 3.07Å; L881-W950 HydrophobicContact CD2-CH2 4.36Å; L881-W950 HydrophobicContact CD2-CZ3 4.24Å
882	M	96.1	Very high	92.6	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-66.9	-20.4	-179.2	-72.2	-60.1	-64.4	0	0	114.1	Y844 M851 M857 L860 F878 Q880 R884 M885 S886 F889	Y844-M882 HydrophobicContact CE1-CE 4.21Å; Y844-M882 HydrophobicContact CE1-CG 4.31Å; Y844-M882 HydrophobicContact CE2-CB 3.75Å; Y844-M882 HydrophobicContact CE2-CG 3.92Å; Y844-M882 VanDerWaalsContact OH-CB 3.23Å; Y844-M882 WeakPolarHBondContact OH-CB 3.39Å; M851-M882 HydrophobicContact SD-CE 4.34Å; M857-M882 HydrophobicContact CE-CE 4Å; M857-M882 HydrophobicContact CG-CE 4.18Å; M857-M882 HydrophobicContact SD-CE 4.27Å; L860-M882 HydrophobicContact CD1-SD 4.13Å; F878-M882 HydrophobicContact CD1-CG 4.1Å; F878-M882 HydrophobicContact CD2-CG 4.26Å; F878-M882 HydrophobicContact CE1-CG 3.59Å; F878-M882 HydrophobicContact CE1-SD 4.38Å; F878-M882 HydrophobicContact CE2-CG 3.77Å; F878-M882 HydrophobicContact CE2-SD 3.9Å; F878-M882 HydrophobicContact CG-CG 4.4Å; F878-M882 HydrophobicContact CZ-CG 3.38Å; F878-M882 HydrophobicContact CZ-SD 3.62Å; F878-M882 WeakPolarHBondContact O-CB 3.15Å; F878-M882 WeakPolarHBondContact O-CG 3.49Å; F878-M882 PolarHBondContact O-N 3.2Å; Q880-M882 VanDerWaalsContact C-N 3.28Å; Q880-M882 PolarHBondContact O-N 3.42Å; M882-R884 PolarHBondContact O-N 3.17Å; M882-M885 PolarHBondContact O-N 3.03Å; M882-M885 HydrophobicContact SD-CB 4.11Å; M882-S886 WeakPolarHBondContact O-CB 3.47Å; M882-S886 PolarHBondContact O-N 2.84Å; M882-S886 PolarHBondContact O-OG 2.84Å; M882-F889 HydrophobicContact CE-CD2 4.19Å; M882-F889 HydrophobicContact CE-CE2 3.57Å; M882-F889 HydrophobicContact CE-CZ 4.35Å; M882-F889 HydrophobicContact SD-CE2 4.17Å
883	K	94	Very high	91.8	Very high	127 Å²	127	38.3 Å²	38.3	55%	0.552	21%	0.214	S	C	*	.	H	α-helix	trans	-61.6	-29.5	170.4	-67.4	175.3	-176.2	171.6	0	112.5	T879 Q880 L881	T879-K883 PolarHBondContact O-N 3.15Å; Q880-K883 WeakPolarHBondContact O-CB 3.35Å; Q880-K883 PolarHBondContact O-N 2.87Å; L881-K883 PolarHBondContact O-N 3.4Å
884	R	92.9	Very high	91.2	Very high	84 Å²	84	37.9 Å²	37.9	32%	0.317	21%	0.213	S	C	.	.	H	α-helix	trans	-88	-48.8	172	-177.7	178.2	60.2	91.2	3.5	111.2	L881 M882 S886 D936	L881-R884 VanDerWaalsContact CD1-NH2 3.35Å; L881-R884 PolarHBondContact O-N 3.4Å; M882-R884 PolarHBondContact O-N 3.17Å; R884-S886 PolarHBondContact O-N 3.17Å; R884-D936 IonicContact CZ-OD2 2.69Å; R884-D936 IonicContact NH1-OD1 2.77Å; R884-D936 PolarHBondContact NH1-OD1 2.9Å; R884-D936 IonicContact NH1-OD2 3.29Å; R884-D936 PolarHBondContact NH1-OD2 3.2Å; R884-D936 IonicContact NH2-OD2 2.84Å; R884-D936 PolarHBondContact NH2-OD2 3.27Å
885	M	94	Very high	90.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-73.5	-25.5	-170.7	-62.3	-53.7	-74.4	0	0	114.2	L860 L881 M882 Q887 N888 F889 L934 D936	L860-M885 HydrophobicContact CD1-CB 3.99Å; L860-M885 HydrophobicContact CD1-CE 4.22Å; L860-M885 HydrophobicContact CD1-CG 4.1Å; L860-M885 HydrophobicContact CD2-CE 4.02Å; L881-M885 HydrophobicContact CD1-CG 3.89Å; L881-M885 HydrophobicContact CG-CG 3.99Å; L881-M885 PolarHBondContact O-N 3.07Å; M882-M885 PolarHBondContact O-N 3.03Å; M882-M885 HydrophobicContact SD-CB 4.11Å; M885-Q887 PolarHBondContact O-N 2.88Å; M885-Q887 VanDerWaalsContact O-N 3.09Å; M885-N888 WeakPolarHBondContact O-CB 3.38Å; M885-N888 PolarHBondContact O-N 3.42Å; M885-F889 HydrophobicContact CB-CE2 4.35Å; M885-F889 VanDerWaalsContact O-CD2 3.25Å; M885-F889 WeakPolarHBondContact O-CD2 3.46Å; M885-L934 VanDerWaalsContact CE-O 3.25Å; M885-L934 WeakPolarHBondContact CE-O 3.29Å; M885-D936 HydrophobicContact CE-CB 4.34Å
886	S	90.8	Very high	90.2	Very high	27 Å²	27	42.9 Å²	42.9	19%	0.189	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-52.2	-34.1	177.9	50.3	0	0	0	0	113.6	M851 M882 R884 N888 F889	M851-S886 VanDerWaalsContact CE-CB 3.44Å; M882-S886 WeakPolarHBondContact O-CB 3.47Å; M882-S886 PolarHBondContact O-N 2.84Å; M882-S886 PolarHBondContact O-OG 2.84Å; R884-S886 PolarHBondContact O-N 3.17Å; S886-N888 VanDerWaalsContact C-N 3.27Å; S886-N888 PolarHBondContact O-N 2.92Å; S886-F889 PolarHBondContact O-N 3.01Å
887	Q	90.4	Very high	89.7	Confident	117 Å²	117	45.9 Å²	45.9	55%	0.547	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-70.7	-21.6	-179.9	-60.3	-172.4	-6.4	0	0	113.4	M885 G892 G893 A894	M885-Q887 PolarHBondContact O-N 2.88Å; M885-Q887 VanDerWaalsContact O-N 3.09Å; Q887-G892 CarbonylContact O-C 3.43Å; Q887-G892 VanDerWaalsContact O-CA 3.27Å; Q887-G892 WeakPolarHBondContact O-CA 3.22Å; Q887-G893 PolarHBondContact O-N 2.76Å; Q887-A894 HydrophobicContact CB-CB 3.86Å; Q887-A894 WeakPolarHBondContact O-CB 3.39Å; Q887-A894 PolarHBondContact O-N 3.11Å
888	N	91	Very high	89.3	Confident	10 Å²	10	46.8 Å²	46.8	5%	0.053	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-81.7	-18.5	178.9	-65.5	-9.6	0	0	0	112.5	M885 S886 M895 H898 F933	M885-N888 WeakPolarHBondContact O-CB 3.38Å; M885-N888 PolarHBondContact O-N 3.42Å; S886-N888 VanDerWaalsContact C-N 3.27Å; S886-N888 PolarHBondContact O-N 2.92Å; N888-M895 HydrophobicContact CB-SD 4.48Å; N888-M895 WeakPolarHBondContact O-CG 3.42Å; N888-H898 PolarHBondContact OD1-NE2 3.36Å; N888-F933 PolarHBondContact ND2-O 3.48Å
889	F	88.9	Confident	88.9	Confident	6 Å²	6	47.5 Å²	47.5	3%	0.026	27%	0.266	C	S	.	.	S	Bend	trans	-74.3	161.5	175.8	-67.6	-76.8	0	0	0	111.2	V854 M857 L860 M882 M885 S886 N891 G892 L934	V854-F889 HydrophobicContact CB-CD1 3.63Å; V854-F889 HydrophobicContact CB-CE1 3.93Å; V854-F889 HydrophobicContact CB-CG 4.31Å; V854-F889 HydrophobicContact CG1-CD1 3.39Å; V854-F889 HydrophobicContact CG1-CE1 3.91Å; V854-F889 HydrophobicContact CG1-CG 4.29Å; V854-F889 HydrophobicContact CG2-CD1 4.28Å; M857-F889 HydrophobicContact CG-CE1 4.2Å; M857-F889 HydrophobicContact CG-CE2 4.38Å; M857-F889 HydrophobicContact CG-CZ 3.74Å; L860-F889 HydrophobicContact CD1-CE2 4.28Å; L860-F889 HydrophobicContact CD1-CZ 3.94Å; M882-F889 HydrophobicContact CE-CD2 4.19Å; M882-F889 HydrophobicContact CE-CE2 3.57Å; M882-F889 HydrophobicContact CE-CZ 4.35Å; M882-F889 HydrophobicContact SD-CE2 4.17Å; M885-F889 HydrophobicContact CB-CE2 4.35Å; M885-F889 VanDerWaalsContact O-CD2 3.25Å; M885-F889 WeakPolarHBondContact O-CD2 3.46Å; S886-F889 PolarHBondContact O-N 3.01Å; F889-N891 PolarHBondContact O-N 3.11Å; F889-G892 PolarHBondContact O-N 3.11Å; F889-L934 HydrophobicContact CD1-CD1 3.67Å; F889-L934 HydrophobicContact CE1-CD1 3.85Å; F889-L934 HydrophobicContact CE1-CG 4.37Å; F889-L934 HydrophobicContact CG-CD1 4.31Å
890	P	78.2	Confident	88.3	Confident	94 Å²	94	48.6 Å²	48.6	61%	0.61	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-26.9	-169.7	-30.9	36.7	0	0	0	116.4
891	N	75	Confident	87.8	Confident	140 Å²	140	48 Å²	48	75%	0.749	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-5.6	179.8	-60.9	-19.7	0	0	0	113.8	F889	F889-N891 PolarHBondContact O-N 3.11Å
892	G	73.5	Confident	87.4	Confident	36 Å²	36	47.9 Å²	47.9	37%	0.371	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-18.3	-168.4	0	0	0	0	0	116.7	Q887 F889 A894	Q887-G892 CarbonylContact O-C 3.43Å; Q887-G892 VanDerWaalsContact O-CA 3.27Å; Q887-G892 WeakPolarHBondContact O-CA 3.22Å; F889-G892 PolarHBondContact O-N 3.11Å; G892-A894 VanDerWaalsContact C-N 3.25Å; G892-A894 PolarHBondContact O-N 3.19Å; G892-A894 VanDerWaalsContact O-N 3.17Å
893	G	79.6	Confident	86.9	Confident	44 Å²	44	51 Å²	51	45%	0.454	29%	0.287	S	S	.	.			trans	71.7	-1.1	172.4	0	0	0	0	0	117.1	Q887 M895	Q887-G893 PolarHBondContact O-N 2.76Å; G893-M895 PolarHBondContact O-N 2.97Å
894	A	86.4	Confident	86.4	Confident	13 Å²	13	47.1 Å²	47.1	11%	0.107	28%	0.276	C	S	.	.	H	α-helix	trans	-72.4	-27.2	-179.5	0	0	0	0	0	113.4	Q887 G892 D896 T897 H898	Q887-A894 HydrophobicContact CB-CB 3.86Å; Q887-A894 WeakPolarHBondContact O-CB 3.39Å; Q887-A894 PolarHBondContact O-N 3.11Å; G892-A894 VanDerWaalsContact C-N 3.25Å; G892-A894 PolarHBondContact O-N 3.19Å; G892-A894 VanDerWaalsContact O-N 3.17Å; A894-D896 PolarHBondContact O-N 3.48Å; A894-T897 WeakPolarHBondContact O-CA 3.35Å; A894-T897 WeakPolarHBondContact O-CB 3.38Å; A894-T897 PolarHBondContact O-N 2.91Å; A894-T897 VanDerWaalsContact O-N 3.08Å; A894-H898 PolarHBondContact O-CD2 2.94Å; A894-H898 PolarHBondContact O-N 3.4Å
895	M	88.7	Confident	86.2	Confident	14 Å²	14	43.1 Å²	43.1	7%	0.069	26%	0.261	C	S	.	.	H	α-helix	trans	-59.5	-43.5	-178.1	-74.7	-60.5	-139.1	0	0	113.3	N888 G893 T897 H898 F899 Y930 F933 L934	N888-M895 HydrophobicContact CB-SD 4.48Å; N888-M895 WeakPolarHBondContact O-CG 3.42Å; G893-M895 PolarHBondContact O-N 2.97Å; M895-T897 PolarHBondContact O-N 3.24Å; M895-H898 PolarHBondContact O-N 3.14Å; M895-H898 VanDerWaalsContact O-N 3.16Å; M895-F899 HydrophobicContact CB-CE2 4.14Å; M895-F899 WeakPolarHBondContact O-CD2 3.47Å; M895-F899 WeakPolarHBondContact O-CG 3.24Å; M895-F899 PolarHBondContact O-N 3.23Å; M895-Y930 HydrophobicContact CE-CD1 4.31Å; M895-Y930 HydrophobicContact CE-CD2 3.79Å; M895-Y930 HydrophobicContact CE-CE1 4.3Å; M895-Y930 HydrophobicContact CE-CE2 3.74Å; M895-Y930 HydrophobicContact CE-CG 4.05Å; M895-Y930 WeakPolarHBondContact CE-O 3.29Å; M895-Y930 HydrophobicContact CG-CE2 4.15Å; M895-F933 HydrophobicContact CE-CB 4.01Å; M895-F933 HydrophobicContact SD-CB 3.73Å; M895-L934 HydrophobicContact CE-CB 3.63Å; M895-L934 HydrophobicContact CE-CD1 4.08Å; M895-L934 HydrophobicContact CE-CG 4.47Å
896	D	87	Confident	85.9	Confident	97 Å²	97	43.1 Å²	43.1	52%	0.519	26%	0.261	S	S	.	.	H	α-helix	trans	-61.1	-37.3	177.2	-66.2	-21.9	0	0	0	111.2	A894 A900	A894-D896 PolarHBondContact O-N 3.48Å; D896-A900 WeakPolarHBondContact O-CB 3.44Å; D896-A900 PolarHBondContact O-N 3.08Å
897	T	87.9	Confident	85.6	Confident	70 Å²	70	46 Å²	46	43%	0.429	27%	0.271	S	S	.	.	H	α-helix	trans	-68.4	-43.1	176.3	-56.1	0	0	0	0	111.1	A894 M895 F899 A900 N901	A894-T897 WeakPolarHBondContact O-CA 3.35Å; A894-T897 WeakPolarHBondContact O-CB 3.38Å; A894-T897 PolarHBondContact O-N 2.91Å; A894-T897 VanDerWaalsContact O-N 3.08Å; M895-T897 PolarHBondContact O-N 3.24Å; T897-F899 PolarHBondContact O-N 3.5Å; T897-A900 PolarHBondContact O-N 2.88Å; T897-N901 WeakPolarHBondContact O-CB 3.44Å; T897-N901 VanDerWaalsContact O-CG 3.22Å; T897-N901 PolarHBondContact O-N 3.01Å; T897-N901 PolarHBondContact O-ND2 2.78Å
898	H	90.2	Very high	85.1	Confident	19 Å²	19	43 Å²	43	9%	0.088	26%	0.258	C	S	.	.	H	α-helix	trans	-59.5	-45.3	175.5	-68	-33.3	0	0	0	111.5	N888 A894 M895 N901 M902 F933 L966	N888-H898 PolarHBondContact OD1-NE2 3.36Å; A894-H898 PolarHBondContact O-CD2 2.94Å; A894-H898 PolarHBondContact O-N 3.4Å; M895-H898 PolarHBondContact O-N 3.14Å; M895-H898 VanDerWaalsContact O-N 3.16Å; H898-N901 PolarHBondContact O-N 3.18Å; H898-M902 VanDerWaalsContact O-CB 3.24Å; H898-M902 WeakPolarHBondContact O-CB 3.43Å; H898-M902 PolarHBondContact O-N 2.86Å; H898-F933 HydrophobicContact CB-CD2 3.86Å; H898-F933 HydrophobicContact CB-CE2 4.02Å; H898-F933 HydrophobicContact CB-CG 4.34Å; H898-L966 HydrophobicContact CB-CD2 3.84Å
899	F	88.6	Confident	84.8	Confident	15 Å²	15	43.9 Å²	43.9	7%	0.066	26%	0.263	C	S	.	.	H	α-helix	trans	-67.5	-39.9	178.2	-62.1	-41.4	0	0	0	113.3	M895 T897 R903 F926 Y927 C929 Y930 F933	M895-F899 HydrophobicContact CB-CE2 4.14Å; M895-F899 WeakPolarHBondContact O-CD2 3.47Å; M895-F899 WeakPolarHBondContact O-CG 3.24Å; M895-F899 PolarHBondContact O-N 3.23Å; T897-F899 PolarHBondContact O-N 3.5Å; F899-R903 VanDerWaalsContact O-CB 3.27Å; F899-R903 WeakPolarHBondContact O-CB 3.39Å; F899-R903 PolarHBondContact O-N 2.95Å; F899-F926 HydrophobicContact CD1-CB 3.8Å; F899-F926 HydrophobicContact CE1-CB 4.47Å; F899-F926 VanDerWaalsContact CE1-O 3.23Å; F899-F926 WeakPolarHBondContact CE1-O 3.47Å; F899-F926 HydrophobicContact CG-CB 4.47Å; F899-Y927 HydrophobicContact CE2-CD1 4.37Å; F899-Y927 HydrophobicContact CE2-CE1 4.28Å; F899-C929 HydrophobicContact CE1-CB 4.33Å; F899-Y930 HydrophobicContact CE2-CD2 4.07Å; F899-Y930 AromaticContact CZ-CD2 3.76Å; F899-Y930 HydrophobicContact CZ-CD2 3.76Å; F899-Y930 HydrophobicContact CZ-CG 4.31Å; F899-F933 HydrophobicContact CD1-CD2 4.36Å; F899-F933 HydrophobicContact CD1-CE2 4.09Å; F899-F933 AromaticContact CE1-CD2 3.9Å; F899-F933 HydrophobicContact CE1-CD2 3.9Å; F899-F933 AromaticContact CE1-CE2 3.97Å; F899-F933 HydrophobicContact CE1-CE2 3.97Å
900	A	85.8	Confident	84.6	Confident	49 Å²	49	44.6 Å²	44.6	41%	0.405	27%	0.267	S	S	.	.	H	α-helix	trans	-62.2	-46.3	175.1	0	0	0	0	0	111.1	D896 T897 R903 S904	D896-A900 WeakPolarHBondContact O-CB 3.44Å; D896-A900 PolarHBondContact O-N 3.08Å; T897-A900 PolarHBondContact O-N 2.88Å; A900-R903 WeakPolarHBondContact O-CB 3.36Å; A900-R903 PolarHBondContact O-N 3.42Å; A900-S904 PolarHBondContact O-N 2.81Å; A900-S904 PolarHBondContact O-OG 3.39Å
901	N	87.9	Confident	84.9	Confident	42 Å²	42	43.4 Å²	43.4	23%	0.225	26%	0.261	C	S	.	.	H	α-helix	trans	-68.1	-40.3	179.5	-70.3	-18.5	0	0	0	112.2	M539 T897 H898 R903 S904 L905 L966	M539-N901 HydrophobicContact CE-CB 4.09Å; M539-N901 HydrophobicContact SD-CB 4.11Å; T897-N901 WeakPolarHBondContact O-CB 3.44Å; T897-N901 VanDerWaalsContact O-CG 3.22Å; T897-N901 PolarHBondContact O-N 3.01Å; T897-N901 PolarHBondContact O-ND2 2.78Å; H898-N901 PolarHBondContact O-N 3.18Å; N901-R903 VanDerWaalsContact C-N 3.33Å; N901-R903 PolarHBondContact O-N 3.5Å; N901-S904 PolarHBondContact O-N 2.76Å; N901-L905 WeakPolarHBondContact O-CB 3.43Å; N901-L905 WeakPolarHBondContact O-CG 3.27Å; N901-L905 PolarHBondContact O-N 3.48Å; N901-L966 HydrophobicContact CB-CD1 3.52Å
902	M	88.9	Confident	85.6	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.4	-44.3	175.4	-172.1	65.2	-178.7	0	0	111.4	H898 S904 L905 I906 F926 A969 L970 V973	H898-M902 VanDerWaalsContact O-CB 3.24Å; H898-M902 WeakPolarHBondContact O-CB 3.43Å; H898-M902 PolarHBondContact O-N 2.86Å; M902-S904 PolarHBondContact O-N 2.78Å; M902-L905 PolarHBondContact O-N 3.29Å; M902-I906 HydrophobicContact CE-CD1 3.62Å; M902-I906 HydrophobicContact CE-CG1 4.24Å; M902-I906 HydrophobicContact CG-CD1 4.15Å; M902-I906 PolarHBondContact O-N 3.32Å; M902-I906 HydrophobicContact SD-CD1 4.43Å; M902-F926 HydrophobicContact CG-CD1 3.99Å; M902-F926 HydrophobicContact CG-CE1 4.38Å; M902-F926 HydrophobicContact CG-CG 4.27Å; M902-A969 HydrophobicContact CE-CB 3.89Å; M902-A969 HydrophobicContact SD-CB 4.11Å; M902-L970 VanDerWaalsContact CE-CA 3.49Å; M902-L970 HydrophobicContact CE-CB 3.94Å; M902-L970 HydrophobicContact CE-CD1 4.17Å; M902-L970 HydrophobicContact SD-CB 4.28Å; M902-V973 HydrophobicContact CE-CG2 4.28Å
903	R	85.3	Confident	86.1	Confident	66 Å²	66	40 Å²	40	25%	0.249	23%	0.231	C	C	.	.	H	α-helix	trans	-57.7	-48.5	174.7	-176.2	-174.5	-52.2	-80.5	1	111.7	F899 A900 N901 I906 Q907 F914 Y923 H925 F926	F899-R903 VanDerWaalsContact O-CB 3.27Å; F899-R903 WeakPolarHBondContact O-CB 3.39Å; F899-R903 PolarHBondContact O-N 2.95Å; A900-R903 WeakPolarHBondContact O-CB 3.36Å; A900-R903 PolarHBondContact O-N 3.42Å; N901-R903 VanDerWaalsContact C-N 3.33Å; N901-R903 PolarHBondContact O-N 3.5Å; R903-I906 PolarHBondContact O-N 3.41Å; R903-Q907 VanDerWaalsContact O-CB 3.31Å; R903-Q907 WeakPolarHBondContact O-CB 3.47Å; R903-Q907 PolarHBondContact O-N 3.33Å; R903-F914 HydrophobicContact CG-CE2 3.67Å; R903-F914 HydrophobicContact CG-CZ 4.45Å; R903-Y923 PolarHBondContact NH2-O 3.16Å; R903-Y923 VanDerWaalsContact NH2-O 3.09Å; R903-H925 PolarHBondContact NH1-CD2 3.43Å; R903-H925 VanDerWaalsContact NH1-CD2 3.25Å; R903-F926 VanDerWaalsContact CA-CE2 3.48Å; R903-F926 HydrophobicContact CB-CD2 3.92Å; R903-F926 HydrophobicContact CB-CE2 3.54Å; R903-F926 HydrophobicContact CG-CE2 3.84Å
904	S	84.2	Confident	86.4	Confident	46 Å²	46	39.2 Å²	39.2	32%	0.322	22%	0.215	S	C	.	.	H	α-helix	trans	-62.9	-43.3	177.1	-65.3	0	0	0	0	112.1	A900 N901 M902 I906 Q907 I908	A900-S904 PolarHBondContact O-N 2.81Å; A900-S904 PolarHBondContact O-OG 3.39Å; N901-S904 PolarHBondContact O-N 2.76Å; M902-S904 PolarHBondContact O-N 2.78Å; S904-I906 PolarHBondContact O-N 3.36Å; S904-Q907 PolarHBondContact O-N 3.28Å; S904-I908 WeakPolarHBondContact O-CB 3.32Å; S904-I908 VanDerWaalsContact O-CD1 3.27Å; S904-I908 WeakPolarHBondContact O-CD1 3.24Å; S904-I908 VanDerWaalsContact O-CG1 3.24Å; S904-I908 WeakPolarHBondContact O-CG1 3.43Å; S904-I908 PolarHBondContact O-N 2.91Å
905	L	87.3	Confident	86.3	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-59.5	-47.4	178.2	-77.8	172.2	0	0	0	111.7	L536 M539 N901 M902 I908 L909 L966 F967 L970 V1017	L536-L905 HydrophobicContact CD2-CD2 3.74Å; M539-L905 HydrophobicContact CE-CD1 3.73Å; M539-L905 HydrophobicContact CE-CD2 4.44Å; M539-L905 HydrophobicContact CE-CG 4.21Å; N901-L905 WeakPolarHBondContact O-CB 3.43Å; N901-L905 WeakPolarHBondContact O-CG 3.27Å; N901-L905 PolarHBondContact O-N 3.48Å; M902-L905 PolarHBondContact O-N 3.29Å; L905-I908 PolarHBondContact O-N 3.16Å; L905-L909 HydrophobicContact CD2-CD1 4.17Å; L905-L909 VanDerWaalsContact O-CB 3.23Å; L905-L909 WeakPolarHBondContact O-CB 3.38Å; L905-L909 VanDerWaalsContact O-CG 3.31Å; L905-L909 WeakPolarHBondContact O-CG 3.31Å; L905-L909 PolarHBondContact O-N 3.38Å; L905-L966 HydrophobicContact CD1-CB 3.93Å; L905-F967 HydrophobicContact CD2-CE1 4.24Å; L905-F967 HydrophobicContact CD2-CZ 4.34Å; L905-L970 HydrophobicContact CB-CD2 4.27Å; L905-V1017 HydrophobicContact CD2-CG2 4.42Å
906	I	87.4	Confident	86.1	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.6	-45.8	178	-67.9	167.4	0	0	0	110.3	M902 R903 S904 I908 L909 D910 L913 F914 F926 L970	M902-I906 HydrophobicContact CE-CD1 3.62Å; M902-I906 HydrophobicContact CE-CG1 4.24Å; M902-I906 HydrophobicContact CG-CD1 4.15Å; M902-I906 PolarHBondContact O-N 3.32Å; M902-I906 HydrophobicContact SD-CD1 4.43Å; R903-I906 PolarHBondContact O-N 3.41Å; S904-I906 PolarHBondContact O-N 3.36Å; I906-I908 PolarHBondContact O-N 3.47Å; I906-I908 VanDerWaalsContact O-N 3.14Å; I906-L909 PolarHBondContact O-N 2.94Å; I906-D910 CarbonylContact O-C 3.58Å; I906-D910 WeakPolarHBondContact O-CA 3.37Å; I906-D910 PolarHBondContact O-N 3.49Å; I906-L913 HydrophobicContact CG2-CB 4.47Å; I906-L913 HydrophobicContact CG2-CD2 4.34Å; I906-L913 HydrophobicContact CG2-CG 4.46Å; I906-F914 HydrophobicContact CG2-CB 4.03Å; I906-F914 HydrophobicContact CG2-CD2 4.49Å; I906-F926 HydrophobicContact CD1-CD1 4.13Å; I906-F926 HydrophobicContact CD1-CE1 3.18Å; I906-F926 HydrophobicContact CD1-CZ 3.58Å; I906-L970 HydrophobicContact CD1-CD1 4.24Å; I906-L970 HydrophobicContact CG1-CD1 3.42Å; I906-L970 VanDerWaalsContact CG1-CD1 3.42Å
907	Q	84.4	Confident	85.7	Confident	86 Å²	86	39.6 Å²	39.6	40%	0.402	21%	0.212	S	C	.	.	H	α-helix	trans	-54.5	-37.4	177.5	-172.8	178.7	13	0	0	113	R903 S904 F914	R903-Q907 VanDerWaalsContact O-CB 3.31Å; R903-Q907 WeakPolarHBondContact O-CB 3.47Å; R903-Q907 PolarHBondContact O-N 3.33Å; S904-Q907 PolarHBondContact O-N 3.28Å; Q907-F914 HydrophobicContact CB-CD1 4.36Å; Q907-F914 HydrophobicContact CB-CD2 3.73Å; Q907-F914 HydrophobicContact CB-CE2 3.89Å; Q907-F914 HydrophobicContact CB-CG 3.97Å; Q907-F914 HydrophobicContact CB-CZ 4.29Å; Q907-F914 HydrophobicContact CG-CD1 4.07Å; Q907-F914 HydrophobicContact CG-CD2 4.3Å; Q907-F914 HydrophobicContact CG-CE1 4.07Å; Q907-F914 HydrophobicContact CG-CE2 4.29Å; Q907-F914 HydrophobicContact CG-CG 4.18Å; Q907-F914 HydrophobicContact CG-CZ 4.18Å
908	I	81.4	Confident	85.2	Confident	54 Å²	54	41.4 Å²	41.4	28%	0.277	22%	0.216	S	C	.	.	H	α-helix	trans	-84.3	-40.3	-178	-65.6	157.8	0	0	0	112	V532 L536 S904 L905 I906	V532-I908 HydrophobicContact CB-CD1 4.36Å; V532-I908 HydrophobicContact CG1-CD1 3.6Å; V532-I908 HydrophobicContact CG1-CG1 3.99Å; V532-I908 HydrophobicContact CG1-CG2 3.97Å; V532-I908 HydrophobicContact CG2-CD1 4.07Å; V532-I908 HydrophobicContact CG2-CG1 4.13Å; L536-I908 HydrophobicContact CD1-CD1 4.12Å; L536-I908 HydrophobicContact CD1-CG2 4.19Å; L536-I908 HydrophobicContact CD2-CD1 4.01Å; L536-I908 HydrophobicContact CG-CD1 4.09Å; S904-I908 WeakPolarHBondContact O-CB 3.32Å; S904-I908 VanDerWaalsContact O-CD1 3.27Å; S904-I908 WeakPolarHBondContact O-CD1 3.24Å; S904-I908 VanDerWaalsContact O-CG1 3.24Å; S904-I908 WeakPolarHBondContact O-CG1 3.43Å; S904-I908 PolarHBondContact O-N 2.91Å; L905-I908 PolarHBondContact O-N 3.16Å; I906-I908 PolarHBondContact O-N 3.47Å; I906-I908 VanDerWaalsContact O-N 3.14Å
909	L	84.6	Confident	84.6	Confident	29 Å²	29	47.2 Å²	47.2	15%	0.152	24%	0.243	C	C	.	.	H	α-helix	trans	-92.2	-23.1	-171	-63.7	173	0	0	0	113.2	L905 I906 L970 L1013 K1016 V1017 L1020	L905-L909 HydrophobicContact CD2-CD1 4.17Å; L905-L909 VanDerWaalsContact O-CB 3.23Å; L905-L909 WeakPolarHBondContact O-CB 3.38Å; L905-L909 VanDerWaalsContact O-CG 3.31Å; L905-L909 WeakPolarHBondContact O-CG 3.31Å; L905-L909 PolarHBondContact O-N 3.38Å; I906-L909 PolarHBondContact O-N 2.94Å; L909-L970 HydrophobicContact CD1-CD2 3.45Å; L909-L970 VanDerWaalsContact CD1-CD2 3.45Å; L909-L1013 HydrophobicContact CD1-CD2 4.35Å; L909-K1016 HydrophobicContact CD2-CD 4.12Å; L909-K1016 HydrophobicContact CD2-CG 4.44Å; L909-V1017 HydrophobicContact CD1-CG2 4.1Å; L909-V1017 HydrophobicContact CD2-CG2 4.35Å; L909-L1020 HydrophobicContact CD2-CD1 4.33Å
910	D	84.6	Confident	83.6	Confident	21 Å²	21	49.5 Å²	49.5	11%	0.112	26%	0.256	C	S	.	.			trans	-154.4	79.5	-177.4	-164.8	-13.3	0	0	0	111.5	I906 E912 L913 F914 R977	I906-D910 CarbonylContact O-C 3.58Å; I906-D910 WeakPolarHBondContact O-CA 3.37Å; I906-D910 PolarHBondContact O-N 3.49Å; D910-E912 VanDerWaalsContact C-N 3.28Å; D910-E912 PolarHBondContact O-N 3.35Å; D910-L913 HydrophobicContact CB-CB 4.22Å; D910-L913 VanDerWaalsContact CG-CB 3.48Å; D910-L913 PolarHBondContact O-N 3.38Å; D910-L913 PolarHBondContact OD1-N 2.68Å; D910-F914 PolarHBondContact O-N 3.5Å; D910-F914 VanDerWaalsContact O-N 3.11Å; D910-R977 IonicContact OD1-CZ 2.88Å; D910-R977 IonicContact OD1-NE 3.5Å; D910-R977 PolarHBondContact OD1-NE 2.74Å; D910-R977 IonicContact OD1-NH2 3.81Å; D910-R977 PolarHBondContact OD1-NH2 3.46Å; D910-R977 VanDerWaalsContact OD2-CD 3.24Å; D910-R977 WeakPolarHBondContact OD2-CD 3.48Å; D910-R977 IonicContact OD2-CZ 3.97Å; D910-R977 IonicContact OD2-NE 2.75Å; D910-R977 PolarHBondContact OD2-NE 3.03Å; D910-R977 IonicContact OD2-NH2 2.63Å
911	S	84.2	Confident	82.4	Confident	70 Å²	70	48.7 Å²	48.7	49%	0.49	25%	0.253	S	S	.	.	H	α-helix	trans	-65.6	-29	-177	59.5	0	0	0	0	113.4	F914 E915	S911-F914 WeakPolarHBondContact O-CB 3.39Å; S911-F914 PolarHBondContact O-N 3.01Å; S911-E915 WeakPolarHBondContact O-CB 3.33Å; S911-E915 VanDerWaalsContact O-CG 3.31Å; S911-E915 WeakPolarHBondContact O-CG 3.27Å; S911-E915 PolarHBondContact O-N 3.46Å
912	E	88.8	Confident	80.7	Confident	103 Å²	103	53 Å²	53	48%	0.481	28%	0.276	S	S	.	.	H	α-helix	trans	-68.5	-47.8	178.6	-179.4	177.1	-151.4	0	0	111	D910 F914 E915 L916 R977 I981	D910-E912 VanDerWaalsContact C-N 3.28Å; D910-E912 PolarHBondContact O-N 3.35Å; E912-F914 VanDerWaalsContact C-N 3.27Å; E912-F914 PolarHBondContact O-N 3.03Å; E912-E915 PolarHBondContact O-N 3.42Å; E912-L916 PolarHBondContact O-N 2.88Å; E912-R977 IonicContact OE2-CZ 3.64Å; E912-R977 IonicContact OE2-NH1 2.92Å; E912-R977 IonicContact OE2-NH2 3.15Å; E912-R977 PolarHBondContact OE2-NH2 2.95Å; E912-I981 HydrophobicContact CG-CD1 4.24Å
913	L	85.5	Confident	78.8	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-62.2	-38.7	174.7	-176.2	66.2	0	0	0	111.3	I906 D910 L916 M917 V973 I980 I981	I906-L913 HydrophobicContact CG2-CB 4.47Å; I906-L913 HydrophobicContact CG2-CD2 4.34Å; I906-L913 HydrophobicContact CG2-CG 4.46Å; D910-L913 HydrophobicContact CB-CB 4.22Å; D910-L913 VanDerWaalsContact CG-CB 3.48Å; D910-L913 PolarHBondContact O-N 3.38Å; D910-L913 PolarHBondContact OD1-N 2.68Å; L913-L916 HydrophobicContact CD1-CD2 4.45Å; L913-L916 PolarHBondContact O-N 3.1Å; L913-M917 HydrophobicContact CG-SD 4.34Å; L913-M917 VanDerWaalsContact O-CG 3.25Å; L913-M917 WeakPolarHBondContact O-CG 3.31Å; L913-M917 PolarHBondContact O-N 3.13Å; L913-V973 HydrophobicContact CD2-CG1 3.44Å; L913-V973 VanDerWaalsContact CD2-CG1 3.44Å; L913-I980 HydrophobicContact CD1-CB 4.41Å; L913-I980 HydrophobicContact CD1-CG2 3.78Å; L913-I981 HydrophobicContact CD1-CG1 4.2Å
914	F	85.7	Confident	77.6	Confident	27 Å²	27	60.8 Å²	60.8	12%	0.118	31%	0.313	C	S	.	.	H	α-helix	trans	-58.8	-47.5	174.2	-176.6	-98.4	0	0	0	112.3	R903 I906 Q907 D910 S911 E912 M917 Q918	R903-F914 HydrophobicContact CG-CE2 3.67Å; R903-F914 HydrophobicContact CG-CZ 4.45Å; I906-F914 HydrophobicContact CG2-CB 4.03Å; I906-F914 HydrophobicContact CG2-CD2 4.49Å; Q907-F914 HydrophobicContact CB-CD1 4.36Å; Q907-F914 HydrophobicContact CB-CD2 3.73Å; Q907-F914 HydrophobicContact CB-CE2 3.89Å; Q907-F914 HydrophobicContact CB-CG 3.97Å; Q907-F914 HydrophobicContact CB-CZ 4.29Å; Q907-F914 HydrophobicContact CG-CD1 4.07Å; Q907-F914 HydrophobicContact CG-CD2 4.3Å; Q907-F914 HydrophobicContact CG-CE1 4.07Å; Q907-F914 HydrophobicContact CG-CE2 4.29Å; Q907-F914 HydrophobicContact CG-CG 4.18Å; Q907-F914 HydrophobicContact CG-CZ 4.18Å; D910-F914 PolarHBondContact O-N 3.5Å; D910-F914 VanDerWaalsContact O-N 3.11Å; S911-F914 WeakPolarHBondContact O-CB 3.39Å; S911-F914 PolarHBondContact O-N 3.01Å; E912-F914 VanDerWaalsContact C-N 3.27Å; E912-F914 PolarHBondContact O-N 3.03Å; F914-M917 PolarHBondContact O-N 3.34Å; F914-Q918 WeakPolarHBondContact O-CB 3.29Å; F914-Q918 PolarHBondContact O-N 3.16Å
915	E	84.5	Confident	76.5	Confident	101 Å²	101	59.5 Å²	59.5	47%	0.472	30%	0.302	S	S	.	.	H	α-helix	trans	-63.6	-43.8	179.4	-77.6	176.1	-160.9	0	0	111.7	S911 E912 M917 Q918 Q919	S911-E915 WeakPolarHBondContact O-CB 3.33Å; S911-E915 VanDerWaalsContact O-CG 3.31Å; S911-E915 WeakPolarHBondContact O-CG 3.27Å; S911-E915 PolarHBondContact O-N 3.46Å; E912-E915 PolarHBondContact O-N 3.42Å; E915-M917 VanDerWaalsContact C-N 3.34Å; E915-M917 PolarHBondContact O-N 3.25Å; E915-Q918 PolarHBondContact O-N 3.48Å; E915-Q918 VanDerWaalsContact O-N 3.13Å; E915-Q919 VanDerWaalsContact O-CG 3.24Å; E915-Q919 WeakPolarHBondContact O-CG 3.49Å; E915-Q919 PolarHBondContact O-N 3.27Å
916	L	83.8	Confident	76	Confident	15 Å²	15	59.6 Å²	59.6	8%	0.079	30%	0.303	C	S	.	.	H	α-helix	trans	-56.1	-49.5	174.5	174.8	66.2	0	0	0	111.3	E912 L913 Q918 Q919 N920 I980 I981 N984	E912-L916 PolarHBondContact O-N 2.88Å; L913-L916 HydrophobicContact CD1-CD2 4.45Å; L913-L916 PolarHBondContact O-N 3.1Å; L916-Q918 VanDerWaalsContact C-N 3.25Å; L916-Q918 PolarHBondContact O-N 2.91Å; L916-Q919 PolarHBondContact O-N 3.4Å; L916-N920 PolarHBondContact O-N 3.41Å; L916-I980 HydrophobicContact CD2-CG2 4.03Å; L916-I981 HydrophobicContact CD2-CB 4.43Å; L916-I981 HydrophobicContact CD2-CG1 3.96Å; L916-N984 WeakPolarHBondContact CD1-OD1 3.47Å
917	M	78.9	Confident	75.8	Confident	16 Å²	16	65.7 Å²	65.7	8%	0.079	33%	0.326	C	S	.	.	H	α-helix	trans	-62.5	-34.7	178.6	-69	178.7	119.6	0	0	111.9	L913 F914 E915 H925 F926 F928 I990	L913-M917 HydrophobicContact CG-SD 4.34Å; L913-M917 VanDerWaalsContact O-CG 3.25Å; L913-M917 WeakPolarHBondContact O-CG 3.31Å; L913-M917 PolarHBondContact O-N 3.13Å; F914-M917 PolarHBondContact O-N 3.34Å; E915-M917 VanDerWaalsContact C-N 3.34Å; E915-M917 PolarHBondContact O-N 3.25Å; M917-H925 PolarHBondContact O-CE1 3.03Å; M917-H925 PolarHBondContact O-ND1 3.19Å; M917-F926 HydrophobicContact CE-CD1 4.35Å; M917-F926 HydrophobicContact CE-CE1 3.73Å; M917-F926 HydrophobicContact CE-CZ 4.43Å; M917-F926 HydrophobicContact SD-CE1 3.68Å; M917-F926 HydrophobicContact SD-CZ 3.86Å; M917-F928 HydrophobicContact CE-CE1 3.38Å; M917-F928 HydrophobicContact CE-CZ 3.6Å; M917-I990 HydrophobicContact CE-CD1 4.02Å
918	Q	77.6	Confident	75.9	Confident	108 Å²	108	62.4 Å²	62.4	51%	0.505	31%	0.311	S	S	.	.	H	α-helix	trans	-73.8	-36.7	178.5	-169.4	176.5	25.9	0	0	112.8	F914 E915 L916 N920	F914-Q918 WeakPolarHBondContact O-CB 3.29Å; F914-Q918 PolarHBondContact O-N 3.16Å; E915-Q918 PolarHBondContact O-N 3.48Å; E915-Q918 VanDerWaalsContact O-N 3.13Å; L916-Q918 VanDerWaalsContact C-N 3.25Å; L916-Q918 PolarHBondContact O-N 2.91Å; Q918-N920 VanDerWaalsContact C-N 3.28Å; Q918-N920 PolarHBondContact O-N 3.12Å
919	Q	77.8	Confident	76.4	Confident	141 Å²	141	59.8 Å²	59.8	66%	0.659	30%	0.298	S	S	*	.	H	α-helix	trans	-64.8	-32.8	-179.6	-74.9	172.3	27.4	0	0	112.5	E915 L916	E915-Q919 VanDerWaalsContact O-CG 3.24Å; E915-Q919 WeakPolarHBondContact O-CG 3.49Å; E915-Q919 PolarHBondContact O-N 3.27Å; L916-Q919 PolarHBondContact O-N 3.4Å
920	N	66.1	Low	76.7	Confident	64 Å²	64	61.9 Å²	61.9	34%	0.342	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	12.5	-171.9	-64.4	-24.7	0	0	0	114.6	L916 Q918 D986	L916-N920 PolarHBondContact O-N 3.41Å; Q918-N920 VanDerWaalsContact C-N 3.28Å; Q918-N920 PolarHBondContact O-N 3.12Å; N920-D986 HydrophobicContact CB-CB 4.21Å
921	G	60.6	Low	77.1	Confident	32 Å²	32	63.5 Å²	63.5	33%	0.33	31%	0.308	S	S	.	.			trans	-169.7	169.2	179.3	0	0	0	0	0	117.4	H925	G921-H925 VanDerWaalsContact C-CE1 3.41Å; G921-H925 PolarHBondContact O-CE1 3.38Å; G921-H925 PolarHBondContact O-NE2 2.87Å
922	D	53.4	Low	77.7	Confident	133 Å²	133	60.3 Å²	60.3	71%	0.711	29%	0.286	S	S	*	.	S	Bend	trans	-106.5	119.4	176.3	-90.5	-27.9	0	0	0	111	T924	D922-T924 PolarHBondContact O-N 3.45Å; D922-T924 PolarHBondContact O-OG1 3.14Å
923	Y	48.2	Very low	78	Confident	165 Å²	165	55.4 Å²	55.4	65%	0.647	26%	0.263	S	S	*	.	S	Bend	trans	45.1	-15	168.7	-61.3	-79.2	0	0	0	120.4	R903 H925	R903-Y923 PolarHBondContact NH2-O 3.16Å; R903-Y923 VanDerWaalsContact NH2-O 3.09Å; Y923-H925 VanDerWaalsContact C-N 3.3Å; Y923-H925 PolarHBondContact N-NE2 3.45Å; Y923-H925 PolarHBondContact O-N 2.82Å
924	T	60.2	Low	78.4	Confident	64 Å²	64	56.3 Å²	56.3	39%	0.393	27%	0.267	S	S	.	.			trans	-84.6	7.5	-174.8	52.7	0	0	0	0	114.4	D922 F926 Y927 F987	D922-T924 PolarHBondContact O-N 3.45Å; D922-T924 PolarHBondContact O-OG1 3.14Å; T924-F926 PolarHBondContact O-N 2.85Å; T924-Y927 HydrophobicContact CG2-CD2 4.3Å; T924-Y927 HydrophobicContact CG2-CE2 4.42Å; T924-Y927 WeakPolarHBondContact O-CD2 3.36Å; T924-Y927 PolarHBondContact O-N 3.09Å; T924-Y927 VanDerWaalsContact O-N 3.13Å; T924-F987 WeakPolarHBondContact O-CE2 3.39Å
925	H	61.6	Low	78.9	Confident	19 Å²	19	55.4 Å²	55.4	9%	0.088	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	0.1	-159	-57.5	-79.9	0	0	0	119.8	R903 M917 G921 Y923 F928	R903-H925 PolarHBondContact NH1-CD2 3.43Å; R903-H925 VanDerWaalsContact NH1-CD2 3.25Å; M917-H925 PolarHBondContact O-CE1 3.03Å; M917-H925 PolarHBondContact O-ND1 3.19Å; G921-H925 VanDerWaalsContact C-CE1 3.41Å; G921-H925 PolarHBondContact O-CE1 3.38Å; G921-H925 PolarHBondContact O-NE2 2.87Å; Y923-H925 VanDerWaalsContact C-N 3.3Å; Y923-H925 PolarHBondContact N-NE2 3.45Å; Y923-H925 PolarHBondContact O-N 2.82Å; H925-F928 WeakPolarHBondContact O-CE1 3.24Å
926	F	76.4	Confident	79.5	Confident	3 Å²	3	50.6 Å²	50.6	1%	0.013	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.2	12.5	178.3	-63.8	-68.7	0	0	0	114.8	F899 M902 R903 I906 M917 T924 F928 C929	F899-F926 HydrophobicContact CD1-CB 3.8Å; F899-F926 HydrophobicContact CE1-CB 4.47Å; F899-F926 VanDerWaalsContact CE1-O 3.23Å; F899-F926 WeakPolarHBondContact CE1-O 3.47Å; F899-F926 HydrophobicContact CG-CB 4.47Å; M902-F926 HydrophobicContact CG-CD1 3.99Å; M902-F926 HydrophobicContact CG-CE1 4.38Å; M902-F926 HydrophobicContact CG-CG 4.27Å; R903-F926 VanDerWaalsContact CA-CE2 3.48Å; R903-F926 HydrophobicContact CB-CD2 3.92Å; R903-F926 HydrophobicContact CB-CE2 3.54Å; R903-F926 HydrophobicContact CG-CE2 3.84Å; I906-F926 HydrophobicContact CD1-CD1 4.13Å; I906-F926 HydrophobicContact CD1-CE1 3.18Å; I906-F926 HydrophobicContact CD1-CZ 3.58Å; M917-F926 HydrophobicContact CE-CD1 4.35Å; M917-F926 HydrophobicContact CE-CE1 3.73Å; M917-F926 HydrophobicContact CE-CZ 4.43Å; M917-F926 HydrophobicContact SD-CE1 3.68Å; M917-F926 HydrophobicContact SD-CZ 3.86Å; T924-F926 PolarHBondContact O-N 2.85Å; F926-F928 AromaticContact CD1-CE1 3.83Å; F926-F928 HydrophobicContact CD1-CE1 3.83Å; F926-F928 AromaticContact CD1-CZ 3.87Å; F926-F928 HydrophobicContact CD1-CZ 3.87Å; F926-F928 HydrophobicContact CE1-CE1 4.36Å; F926-F928 HydrophobicContact CE1-CZ 4.31Å; F926-F928 PolarHBondContact O-N 3.17Å; F926-F928 VanDerWaalsContact O-N 3.12Å; F926-C929 WeakPolarHBondContact O-CB 3.44Å; F926-C929 PolarHBondContact O-N 3.47Å
927	Y	83.8	Confident	80.2	Confident	127 Å²	127	50.4 Å²	50.4	50%	0.498	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-61.8	-20.4	177.6	-88.8	-79.7	0	0	0	113.3	F899 T924 C929 Y930	F899-Y927 HydrophobicContact CE2-CD1 4.37Å; F899-Y927 HydrophobicContact CE2-CE1 4.28Å; T924-Y927 HydrophobicContact CG2-CD2 4.3Å; T924-Y927 HydrophobicContact CG2-CE2 4.42Å; T924-Y927 WeakPolarHBondContact O-CD2 3.36Å; T924-Y927 PolarHBondContact O-N 3.09Å; T924-Y927 VanDerWaalsContact O-N 3.13Å; Y927-C929 PolarHBondContact O-N 2.95Å; Y927-Y930 HydrophobicContact CD1-CD2 4.37Å; Y927-Y930 WeakPolarHBondContact O-CB 3.31Å; Y927-Y930 PolarHBondContact O-N 3.42Å
928	F	86.2	Confident	81	Confident	17 Å²	17	49.9 Å²	49.9	8%	0.075	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-61.2	-28.4	171.3	68.8	-95.7	0	0	0	112.7	M917 H925 F926 Y930 W932 V973 F987 I990 I991 F994	M917-F928 HydrophobicContact CE-CE1 3.38Å; M917-F928 HydrophobicContact CE-CZ 3.6Å; H925-F928 WeakPolarHBondContact O-CE1 3.24Å; F926-F928 AromaticContact CD1-CE1 3.83Å; F926-F928 HydrophobicContact CD1-CE1 3.83Å; F926-F928 AromaticContact CD1-CZ 3.87Å; F926-F928 HydrophobicContact CD1-CZ 3.87Å; F926-F928 HydrophobicContact CE1-CE1 4.36Å; F926-F928 HydrophobicContact CE1-CZ 4.31Å; F926-F928 PolarHBondContact O-N 3.17Å; F926-F928 VanDerWaalsContact O-N 3.12Å; F928-Y930 VanDerWaalsContact C-N 3.27Å; F928-Y930 PolarHBondContact O-N 2.96Å; F928-W932 AromaticContact CD2-CH2 3.95Å; F928-W932 HydrophobicContact CD2-CH2 3.95Å; F928-W932 HydrophobicContact CD2-CZ2 4.27Å; F928-W932 HydrophobicContact CD2-CZ3 4.34Å; F928-W932 AromaticContact CE2-CH2 3.83Å; F928-W932 HydrophobicContact CE2-CH2 3.83Å; F928-W932 HydrophobicContact CE2-CZ3 4.03Å; F928-V973 HydrophobicContact CE2-CG2 3.92Å; F928-V973 HydrophobicContact CZ-CG2 4.17Å; F928-F987 HydrophobicContact CB-CE2 4.3Å; F928-F987 HydrophobicContact CD1-CD2 4.01Å; F928-F987 AromaticContact CD1-CE2 3.67Å; F928-F987 HydrophobicContact CD1-CE2 3.67Å; F928-F987 HydrophobicContact CG-CE2 4.48Å; F928-I990 HydrophobicContact CD1-CG2 3.95Å; F928-I990 HydrophobicContact CD2-CG2 3.97Å; F928-I990 HydrophobicContact CE1-CG2 4.13Å; F928-I990 HydrophobicContact CE2-CG2 4.1Å; F928-I990 HydrophobicContact CG-CG2 3.9Å; F928-I990 HydrophobicContact CZ-CG2 4.21Å; F928-I991 HydrophobicContact CB-CB 4.48Å; F928-I991 HydrophobicContact CB-CD1 4.36Å; F928-I991 HydrophobicContact CB-CG1 3.41Å; F928-I991 VanDerWaalsContact CB-CG1 3.41Å; F928-F994 HydrophobicContact CD2-CD2 4.27Å; F928-F994 HydrophobicContact CE2-CD2 4.49Å; F928-F994 HydrophobicContact CE2-CE2 4.33Å
929	C	91.6	Very high	81.9	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-79.9	-2.2	173.5	-60.6	0	0	0	0	113.5	F899 F926 Y927 R931 W932 F933	F899-C929 HydrophobicContact CE1-CB 4.33Å; F926-C929 WeakPolarHBondContact O-CB 3.44Å; F926-C929 PolarHBondContact O-N 3.47Å; Y927-C929 PolarHBondContact O-N 2.95Å; C929-R931 PolarHBondContact O-N 3.04Å; C929-W932 HydrophobicContact CB-CD2 4.3Å; C929-W932 HydrophobicContact CB-CE3 3.82Å; C929-W932 HydrophobicContact CB-CZ3 4.36Å; C929-W932 WeakPolarHBondContact O-CB 3.4Å; C929-W932 PolarHBondContact O-N 3.44Å; C929-W932 VanDerWaalsContact O-N 3.15Å; C929-W932 WeakPolarHBondContact SG-CZ3 3.12Å; C929-F933 HydrophobicContact CB-CD2 4.12Å; C929-F933 HydrophobicContact CB-CE2 3.57Å; C929-F933 HydrophobicContact CB-CZ 3.97Å; C929-F933 WeakPolarHBondContact O-CD2 3.49Å; C929-F933 PolarHBondContact O-N 3.47Å; C929-F933 VanDerWaalsContact O-N 3.17Å
930	Y	91.7	Very high	82.7	Confident	73 Å²	73	41.8 Å²	41.8	29%	0.286	20%	0.196	S	C	.	.	H	α-helix	trans	-58	-48.1	-174.8	-177.2	-87.2	0	0	0	111.4	M895 F899 Y927 F928 W932 F933 L934	M895-Y930 HydrophobicContact CE-CD1 4.31Å; M895-Y930 HydrophobicContact CE-CD2 3.79Å; M895-Y930 HydrophobicContact CE-CE1 4.3Å; M895-Y930 HydrophobicContact CE-CE2 3.74Å; M895-Y930 HydrophobicContact CE-CG 4.05Å; M895-Y930 WeakPolarHBondContact CE-O 3.29Å; M895-Y930 HydrophobicContact CG-CE2 4.15Å; F899-Y930 HydrophobicContact CE2-CD2 4.07Å; F899-Y930 AromaticContact CZ-CD2 3.76Å; F899-Y930 HydrophobicContact CZ-CD2 3.76Å; F899-Y930 HydrophobicContact CZ-CG 4.31Å; Y927-Y930 HydrophobicContact CD1-CD2 4.37Å; Y927-Y930 WeakPolarHBondContact O-CB 3.31Å; Y927-Y930 PolarHBondContact O-N 3.42Å; F928-Y930 VanDerWaalsContact C-N 3.27Å; F928-Y930 PolarHBondContact O-N 2.96Å; Y930-W932 VanDerWaalsContact C-N 3.27Å; Y930-W932 PolarHBondContact O-N 2.98Å; Y930-F933 PolarHBondContact O-N 2.96Å; Y930-L934 HydrophobicContact CE1-CD2 3.9Å; Y930-L934 WeakPolarHBondContact O-CB 3.32Å; Y930-L934 PolarHBondContact O-N 2.92Å
931	R	93.4	Very high	84.2	Confident	54 Å²	54	39.3 Å²	39.3	20%	0.204	18%	0.183	C	C	.	.	H	α-helix	trans	-62.8	-36	178.9	-169.9	173.1	71.1	-169.7	0.1	112	C929 L934 L935 R939 E940 N995	C929-R931 PolarHBondContact O-N 3.04Å; R931-L934 PolarHBondContact O-N 3.34Å; R931-L935 HydrophobicContact CG-CD1 3.98Å; R931-L935 PolarHBondContact O-N 3.25Å; R931-L935 VanDerWaalsContact O-N 3.11Å; R931-R939 HydrophobicContact CG-CB 4.3Å; R931-E940 IonicContact CZ-OE1 3.39Å; R931-E940 VanDerWaalsContact CZ-OE1 3.22Å; R931-E940 IonicContact CZ-OE2 3.1Å; R931-E940 IonicContact NE-OE1 3.42Å; R931-E940 PolarHBondContact NE-OE1 2.81Å; R931-E940 VanDerWaalsContact NH2-CD 3.29Å; R931-E940 IonicContact NH2-OE1 2.88Å; R931-E940 PolarHBondContact NH2-OE1 3.33Å; R931-E940 IonicContact NH2-OE2 3.88Å; R931-E940 PolarHBondContact NH2-OE2 2.79Å; R931-N995 PolarHBondContact NH1-OD1 2.99Å; R931-N995 PolarHBondContact NH2-OD1 2.95Å
932	W	95.9	Very high	85.9	Confident	3 Å²	3	41.8 Å²	41.8	1%	0.011	19%	0.188	C	C	.	.	H	α-helix	trans	-61.3	-50	179.7	-58.1	-6.3	0	0	0	111.7	F928 C929 Y930 D936 F937 E940 A969 L972 V973 F994	F928-W932 AromaticContact CD2-CH2 3.95Å; F928-W932 HydrophobicContact CD2-CH2 3.95Å; F928-W932 HydrophobicContact CD2-CZ2 4.27Å; F928-W932 HydrophobicContact CD2-CZ3 4.34Å; F928-W932 AromaticContact CE2-CH2 3.83Å; F928-W932 HydrophobicContact CE2-CH2 3.83Å; F928-W932 HydrophobicContact CE2-CZ3 4.03Å; C929-W932 HydrophobicContact CB-CD2 4.3Å; C929-W932 HydrophobicContact CB-CE3 3.82Å; C929-W932 HydrophobicContact CB-CZ3 4.36Å; C929-W932 WeakPolarHBondContact O-CB 3.4Å; C929-W932 PolarHBondContact O-N 3.44Å; C929-W932 VanDerWaalsContact O-N 3.15Å; C929-W932 WeakPolarHBondContact SG-CZ3 3.12Å; Y930-W932 VanDerWaalsContact C-N 3.27Å; Y930-W932 PolarHBondContact O-N 2.98Å; W932-D936 CarbonylContact O-C 3.21Å; W932-D936 VanDerWaalsContact O-CA 3.24Å; W932-D936 WeakPolarHBondContact O-CA 3.37Å; W932-D936 PolarHBondContact O-N 3.42Å; W932-F937 HydrophobicContact CB-CD1 3.68Å; W932-F937 HydrophobicContact CB-CE1 3.53Å; W932-F937 HydrophobicContact CB-CG 4.35Å; W932-F937 HydrophobicContact CB-CZ 4.04Å; W932-F937 HydrophobicContact CD2-CD1 4.27Å; W932-F937 AromaticContact CD2-CE1 3.92Å; W932-F937 HydrophobicContact CD2-CE1 3.92Å; W932-F937 AromaticContact CE3-CE1 3.86Å; W932-F937 HydrophobicContact CE3-CE1 3.86Å; W932-F937 AromaticContact CG-CD1 3.88Å; W932-F937 HydrophobicContact CG-CD1 3.88Å; W932-F937 AromaticContact CG-CE1 3.83Å; W932-F937 HydrophobicContact CG-CE1 3.83Å; W932-F937 PolarHBondContact O-N 2.91Å; W932-E940 HydrophobicContact CG-CG 4.23Å; W932-E940 PolarHBondContact NE1-OE1 3.16Å; W932-E940 PolarHBondContact NE1-OE2 3.03Å; W932-A969 HydrophobicContact CE3-CB 3.85Å; W932-A969 HydrophobicContact CZ3-CB 4.13Å; W932-L972 HydrophobicContact CD2-CD2 4.23Å; W932-L972 HydrophobicContact CE3-CD2 4.18Å; W932-L972 HydrophobicContact CH2-CD2 3.5Å; W932-L972 HydrophobicContact CH2-CG 4.03Å; W932-L972 HydrophobicContact CZ2-CD2 3.54Å; W932-L972 HydrophobicContact CZ2-CG 4.42Å; W932-L972 HydrophobicContact CZ3-CB 4.46Å; W932-L972 HydrophobicContact CZ3-CD2 3.83Å; W932-L972 HydrophobicContact CZ3-CG 4.41Å; W932-V973 HydrophobicContact CH2-CG2 4.24Å; W932-V973 HydrophobicContact CZ3-CG2 4.12Å; W932-F994 AromaticContact CH2-CD1 3.97Å; W932-F994 HydrophobicContact CH2-CD1 3.97Å; W932-F994 AromaticContact CH2-CD2 3.97Å; W932-F994 HydrophobicContact CH2-CD2 3.97Å; W932-F994 AromaticContact CH2-CE1 3.96Å; W932-F994 HydrophobicContact CH2-CE1 3.96Å; W932-F994 AromaticContact CH2-CE2 3.97Å; W932-F994 HydrophobicContact CH2-CE2 3.97Å; W932-F994 AromaticContact CH2-CG 3.99Å; W932-F994 HydrophobicContact CH2-CG 3.99Å; W932-F994 AromaticContact CH2-CZ 3.97Å; W932-F994 HydrophobicContact CH2-CZ 3.97Å; W932-F994 HydrophobicContact CZ2-CB 3.92Å; W932-F994 AromaticContact CZ2-CD1 3.64Å; W932-F994 HydrophobicContact CZ2-CD1 3.64Å; W932-F994 AromaticContact CZ2-CD2 3.93Å; W932-F994 HydrophobicContact CZ2-CD2 3.93Å; W932-F994 HydrophobicContact CZ2-CE1 4.12Å; W932-F994 HydrophobicContact CZ2-CE2 4.37Å; W932-F994 AromaticContact CZ2-CG 3.55Å; W932-F994 HydrophobicContact CZ2-CG 3.55Å; W932-F994 HydrophobicContact CZ2-CZ 4.47Å
933	F	95.2	Very high	87.8	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-75	-30.7	179.8	-57.3	-41.5	0	0	0	112.9	N888 M895 H898 F899 C929 Y930 L935 V965 L966 A969	N888-F933 PolarHBondContact ND2-O 3.48Å; M895-F933 HydrophobicContact CE-CB 4.01Å; M895-F933 HydrophobicContact SD-CB 3.73Å; H898-F933 HydrophobicContact CB-CD2 3.86Å; H898-F933 HydrophobicContact CB-CE2 4.02Å; H898-F933 HydrophobicContact CB-CG 4.34Å; F899-F933 HydrophobicContact CD1-CD2 4.36Å; F899-F933 HydrophobicContact CD1-CE2 4.09Å; F899-F933 AromaticContact CE1-CD2 3.9Å; F899-F933 HydrophobicContact CE1-CD2 3.9Å; F899-F933 AromaticContact CE1-CE2 3.97Å; F899-F933 HydrophobicContact CE1-CE2 3.97Å; C929-F933 HydrophobicContact CB-CD2 4.12Å; C929-F933 HydrophobicContact CB-CE2 3.57Å; C929-F933 HydrophobicContact CB-CZ 3.97Å; C929-F933 WeakPolarHBondContact O-CD2 3.49Å; C929-F933 PolarHBondContact O-N 3.47Å; C929-F933 VanDerWaalsContact O-N 3.17Å; Y930-F933 PolarHBondContact O-N 2.96Å; F933-L935 VanDerWaalsContact C-N 3.31Å; F933-L935 PolarHBondContact O-N 3.48Å; F933-V965 HydrophobicContact CD1-CB 4.47Å; F933-V965 HydrophobicContact CD1-CG2 4.47Å; F933-L966 HydrophobicContact CE1-CD2 3.74Å; F933-L966 HydrophobicContact CE2-CD2 4.24Å; F933-L966 HydrophobicContact CZ-CD2 3.59Å; F933-A969 HydrophobicContact CE1-CB 3.63Å; F933-A969 HydrophobicContact CZ-CB 3.7Å
934	L	94.9	Very high	90.1	Very high	20 Å²	20	32.8 Å²	32.8	11%	0.105	15%	0.147	C	C	.	.	H	α-helix	trans	-66.3	-38.7	179.3	-172.1	69.5	0	0	0	111.1	M885 F889 M895 Y930 R931	M885-L934 VanDerWaalsContact CE-O 3.25Å; M885-L934 WeakPolarHBondContact CE-O 3.29Å; F889-L934 HydrophobicContact CD1-CD1 3.67Å; F889-L934 HydrophobicContact CE1-CD1 3.85Å; F889-L934 HydrophobicContact CE1-CG 4.37Å; F889-L934 HydrophobicContact CG-CD1 4.31Å; M895-L934 HydrophobicContact CE-CB 3.63Å; M895-L934 HydrophobicContact CE-CD1 4.08Å; M895-L934 HydrophobicContact CE-CG 4.47Å; Y930-L934 HydrophobicContact CE1-CD2 3.9Å; Y930-L934 WeakPolarHBondContact O-CB 3.32Å; Y930-L934 PolarHBondContact O-N 2.92Å; R931-L934 PolarHBondContact O-N 3.34Å
935	L	96.1	Very high	91.9	Very high	8 Å²	8	31.7 Å²	31.7	4%	0.042	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	12.3	-169.8	-54.7	-179.8	0	0	0	113.7	D859 R931 F933 F937 K938 R939	D859-L935 HydrophobicContact CB-CD1 4.5Å; D859-L935 HydrophobicContact CB-CD2 4.3Å; R931-L935 HydrophobicContact CG-CD1 3.98Å; R931-L935 PolarHBondContact O-N 3.25Å; R931-L935 VanDerWaalsContact O-N 3.11Å; F933-L935 VanDerWaalsContact C-N 3.31Å; F933-L935 PolarHBondContact O-N 3.48Å; L935-F937 PolarHBondContact O-N 2.86Å; L935-K938 HydrophobicContact CB-CB 4.21Å; L935-K938 VanDerWaalsContact O-CB 3.26Å; L935-K938 WeakPolarHBondContact O-CB 3.29Å; L935-K938 PolarHBondContact O-N 3.19Å; L935-R939 HydrophobicContact CD1-CB 4.36Å; L935-R939 HydrophobicContact CD1-CG 3.47Å; L935-R939 VanDerWaalsContact CD1-CG 3.47Å
936	D	96.3	Very high	93.6	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	41.9	52.6	-170	-77	-24.5	0	0	0	111.9	R884 M885 W932 K938 W950 I953	R884-D936 IonicContact CZ-OD2 2.69Å; R884-D936 IonicContact NH1-OD1 2.77Å; R884-D936 PolarHBondContact NH1-OD1 2.9Å; R884-D936 IonicContact NH1-OD2 3.29Å; R884-D936 PolarHBondContact NH1-OD2 3.2Å; R884-D936 IonicContact NH2-OD2 2.84Å; R884-D936 PolarHBondContact NH2-OD2 3.27Å; M885-D936 HydrophobicContact CE-CB 4.34Å; W932-D936 CarbonylContact O-C 3.21Å; W932-D936 VanDerWaalsContact O-CA 3.24Å; W932-D936 WeakPolarHBondContact O-CA 3.37Å; W932-D936 PolarHBondContact O-N 3.42Å; D936-K938 PolarHBondContact O-N 3.28Å; D936-K938 VanDerWaalsContact O-N 3.11Å; D936-W950 PolarHBondContact O-NE1 3.21Å; D936-I953 HydrophobicContact CB-CD1 4.17Å
937	F	97.6	Very high	94.6	Very high	10 Å²	10	30.7 Å²	30.7	4%	0.044	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	10.2	177.2	-51.5	-96.1	0	0	0	116.1	W932 L935 R939 E940 L941 V965 L968 A969	W932-F937 HydrophobicContact CB-CD1 3.68Å; W932-F937 HydrophobicContact CB-CE1 3.53Å; W932-F937 HydrophobicContact CB-CG 4.35Å; W932-F937 HydrophobicContact CB-CZ 4.04Å; W932-F937 HydrophobicContact CD2-CD1 4.27Å; W932-F937 AromaticContact CD2-CE1 3.92Å; W932-F937 HydrophobicContact CD2-CE1 3.92Å; W932-F937 AromaticContact CE3-CE1 3.86Å; W932-F937 HydrophobicContact CE3-CE1 3.86Å; W932-F937 AromaticContact CG-CD1 3.88Å; W932-F937 HydrophobicContact CG-CD1 3.88Å; W932-F937 AromaticContact CG-CE1 3.83Å; W932-F937 HydrophobicContact CG-CE1 3.83Å; W932-F937 PolarHBondContact O-N 2.91Å; L935-F937 PolarHBondContact O-N 2.86Å; F937-R939 PolarHBondContact O-N 3.49Å; F937-E940 HydrophobicContact CB-CB 4.49Å; F937-E940 HydrophobicContact CB-CG 4.33Å; F937-E940 HydrophobicContact CD1-CG 4.36Å; F937-E940 PolarHBondContact O-N 3.16Å; F937-L941 HydrophobicContact CB-CD1 3.89Å; F937-L941 HydrophobicContact CB-CG 4.2Å; F937-L941 PolarHBondContact O-N 2.91Å; F937-V965 HydrophobicContact CE2-CB 4.39Å; F937-L968 HydrophobicContact CD2-CD1 4.45Å; F937-L968 HydrophobicContact CE1-CB 4.5Å; F937-L968 HydrophobicContact CE2-CB 3.86Å; F937-L968 HydrophobicContact CE2-CD1 4.09Å; F937-L968 HydrophobicContact CZ-CB 3.74Å; F937-A969 HydrophobicContact CE1-CB 4.33Å; F937-A969 HydrophobicContact CZ-CB 4.03Å
938	K	96.6	Very high	95.3	Very high	5 Å²	5	25.2 Å²	25.2	2%	0.022	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-32.5	-179.7	172.1	60.4	-178.5	74.7	0	114.5	D823 D859 P863 L935 D936 V946 W950	D823-K938 IonicContact OD1-NZ 3.78Å; D823-K938 WeakPolarHBondContact OD2-CE 3.47Å; D823-K938 IonicContact OD2-NZ 3.88Å; D823-K938 PolarHBondContact OD2-NZ 3.04Å; D859-K938 HydrophobicContact CB-CG 4.1Å; P863-K938 HydrophobicContact CG-CD 3.72Å; L935-K938 HydrophobicContact CB-CB 4.21Å; L935-K938 VanDerWaalsContact O-CB 3.26Å; L935-K938 WeakPolarHBondContact O-CB 3.29Å; L935-K938 PolarHBondContact O-N 3.19Å; D936-K938 PolarHBondContact O-N 3.28Å; D936-K938 VanDerWaalsContact O-N 3.11Å; K938-V946 HydrophobicContact CD-CG1 4.1Å; K938-V946 HydrophobicContact CD-CG2 3.89Å; K938-W950 HydrophobicContact CB-CZ2 4.38Å
939	R	95.8	Very high	95.8	Very high	79 Å²	79	24.6 Å²	24.6	30%	0.298	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-3.5	179.6	-68	-65.3	-173.6	-172.2	4.7	113.9	D823 D859 R931 L935 F937	D823-R939 IonicContact OD1-CZ 2.81Å; D823-R939 IonicContact OD1-NH1 2.89Å; D823-R939 PolarHBondContact OD1-NH1 3.39Å; D823-R939 IonicContact OD1-NH2 3.19Å; D859-R939 IonicContact OD1-CZ 3.29Å; D859-R939 VanDerWaalsContact OD1-CZ 3.32Å; D859-R939 IonicContact OD1-NE 3.25Å; D859-R939 IonicContact OD1-NH2 3.94Å; D859-R939 PolarHBondContact OD1-NH2 2.88Å; D859-R939 IonicContact OD2-CZ 3.39Å; D859-R939 IonicContact OD2-NE 3.36Å; D859-R939 PolarHBondContact OD2-NE 3.1Å; D859-R939 IonicContact OD2-NH2 2.74Å; D859-R939 PolarHBondContact OD2-NH2 3.39Å; D859-R939 VanDerWaalsContact OD2-NH2 3.1Å; R931-R939 HydrophobicContact CG-CB 4.3Å; L935-R939 HydrophobicContact CD1-CB 4.36Å; L935-R939 HydrophobicContact CD1-CG 3.47Å; L935-R939 VanDerWaalsContact CD1-CG 3.47Å; F937-R939 PolarHBondContact O-N 3.49Å
940	E	95.8	Very high	96.2	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-12.7	177.2	-40.6	-49.9	137.2	0	0	112	R931 W932 F937 E999 H1001	R931-E940 IonicContact CZ-OE1 3.39Å; R931-E940 VanDerWaalsContact CZ-OE1 3.22Å; R931-E940 IonicContact CZ-OE2 3.1Å; R931-E940 IonicContact NE-OE1 3.42Å; R931-E940 PolarHBondContact NE-OE1 2.81Å; R931-E940 VanDerWaalsContact NH2-CD 3.29Å; R931-E940 IonicContact NH2-OE1 2.88Å; R931-E940 PolarHBondContact NH2-OE1 3.33Å; R931-E940 IonicContact NH2-OE2 3.88Å; R931-E940 PolarHBondContact NH2-OE2 2.79Å; W932-E940 HydrophobicContact CG-CG 4.23Å; W932-E940 PolarHBondContact NE1-OE1 3.16Å; W932-E940 PolarHBondContact NE1-OE2 3.03Å; F937-E940 HydrophobicContact CB-CB 4.49Å; F937-E940 HydrophobicContact CB-CG 4.33Å; F937-E940 HydrophobicContact CD1-CG 4.36Å; F937-E940 PolarHBondContact O-N 3.16Å; E940-E999 WeakPolarHBondContact O-CA 3.26Å; E940-E999 PolarHBondContact O-N 3.01Å; E940-H1001 PolarHBondContact O-CD2 3.1Å; E940-H1001 VanDerWaalsContact O-CD2 3.27Å
941	L	96.8	Very high	96.5	Very high	11 Å²	11	21.1 Å²	21.1	6%	0.058	10%	0.099	C	C	.	.	S	Bend	trans	-132.1	147.8	-164.8	-59.3	-178.3	0	0	0	111.7	F937 D945 V946 V949 H1001 V1003	F937-L941 HydrophobicContact CB-CD1 3.89Å; F937-L941 HydrophobicContact CB-CG 4.2Å; F937-L941 PolarHBondContact O-N 2.91Å; L941-D945 HydrophobicContact CB-CB 4.13Å; L941-V946 HydrophobicContact CB-CG2 3.66Å; L941-V949 HydrophobicContact CD1-CB 4.06Å; L941-V949 HydrophobicContact CD1-CG1 4.31Å; L941-V949 HydrophobicContact CD1-CG2 3.68Å; L941-H1001 HydrophobicContact CD2-CB 4.22Å; L941-V1003 HydrophobicContact CD1-CG2 4.36Å; L941-V1003 HydrophobicContact CD2-CG2 3.41Å; L941-V1003 VanDerWaalsContact CD2-CG2 3.41Å; L941-V1003 HydrophobicContact CG-CG2 4.4Å
942	L	95.6	Very high	96.7	Very high	85 Å²	85	18.7 Å²	18.7	45%	0.445	9%	0.09	S	C	.	.			trans	-68.6	159.2	169.4	-65.8	173.4	0	0	0	111	E944 D945 V946 E999	L942-E944 PolarHBondContact O-N 3.11Å; L942-D945 CarbonylContact O-C 3.18Å; L942-D945 WeakPolarHBondContact O-CA 3.45Å; L942-D945 WeakPolarHBondContact O-CB 3.35Å; L942-D945 PolarHBondContact O-N 2.87Å; L942-V946 VanDerWaalsContact O-CG2 3.31Å; L942-V946 WeakPolarHBondContact O-CG2 3.48Å; L942-V946 PolarHBondContact O-N 3.3Å; L942-E999 HydrophobicContact CD2-CB 3.91Å; L942-E999 HydrophobicContact CD2-CG 4.19Å; L942-E999 HydrophobicContact CG-CB 4.12Å
943	Y	95.3	Very high	96.8	Very high	19 Å²	19	18.9 Å²	18.9	8%	0.075	9%	0.091	C	C	.	.	H	α-helix	trans	-53.4	-47.8	-176.4	-94.9	-90.9	0	0	0	114.2	D823 Y826 F829 A862 P863 V866 D945 V946 F947	D823-Y943 WeakPolarHBondContact OD2-CE2 3.5Å; D823-Y943 VanDerWaalsContact OD2-CZ 3.31Å; D823-Y943 PolarHBondContact OD2-OH 2.83Å; Y826-Y943 HydrophobicContact CD1-CD2 4.41Å; Y826-Y943 HydrophobicContact CD1-CE2 4.13Å; Y826-Y943 AromaticContact CD2-CD2 3.57Å; Y826-Y943 HydrophobicContact CD2-CD2 3.57Å; Y826-Y943 AromaticContact CD2-CE2 3.82Å; Y826-Y943 HydrophobicContact CD2-CE2 3.82Å; Y826-Y943 HydrophobicContact CD2-CG 4.32Å; Y826-Y943 HydrophobicContact CE1-CD1 4.42Å; Y826-Y943 HydrophobicContact CE1-CD2 4.33Å; Y826-Y943 HydrophobicContact CE1-CE1 4.46Å; Y826-Y943 HydrophobicContact CE1-CE2 4.39Å; Y826-Y943 HydrophobicContact CE1-CG 4.35Å; Y826-Y943 AromaticContact CE2-CD2 3.45Å; Y826-Y943 HydrophobicContact CE2-CD2 3.45Å; Y826-Y943 VanDerWaalsContact CE2-CD2 3.45Å; Y826-Y943 HydrophobicContact CE2-CE2 4.09Å; Y826-Y943 AromaticContact CE2-CG 3.75Å; Y826-Y943 HydrophobicContact CE2-CG 3.75Å; Y826-Y943 HydrophobicContact CG-CD2 4.07Å; Y826-Y943 AromaticContact CG-CE2 3.84Å; Y826-Y943 HydrophobicContact CG-CE2 3.84Å; Y826-Y943 AromaticContact CZ-CD2 3.85Å; Y826-Y943 AromaticContact CZ-CG 3.76Å; F829-Y943 VanDerWaalsContact CE2-OH 3.3Å; F829-Y943 WeakPolarHBondContact CE2-OH 3.39Å; A862-Y943 WeakPolarHBondContact CB-OH 3.49Å; P863-Y943 HydrophobicContact CB-CE1 4.32Å; P863-Y943 HydrophobicContact CG-CE1 4.12Å; V866-Y943 HydrophobicContact CB-CD1 4.49Å; V866-Y943 HydrophobicContact CB-CE1 4.22Å; V866-Y943 HydrophobicContact CG1-CD1 4.43Å; V866-Y943 HydrophobicContact CG2-CD1 4.3Å; V866-Y943 HydrophobicContact CG2-CE1 3.68Å; Y943-D945 PolarHBondContact O-N 2.82Å; Y943-V946 WeakPolarHBondContact O-CB 3.44Å; Y943-V946 PolarHBondContact O-N 2.67Å; Y943-F947 AromaticContact CD1-CE1 3.71Å; Y943-F947 HydrophobicContact CD1-CE1 3.71Å; Y943-F947 AromaticContact CD1-CZ 3.64Å; Y943-F947 HydrophobicContact CD1-CZ 3.64Å; Y943-F947 HydrophobicContact CG-CZ 4.34Å; Y943-F947 WeakPolarHBondContact O-CD1 3.48Å; Y943-F947 VanDerWaalsContact O-CD2 3.27Å; Y943-F947 WeakPolarHBondContact O-CD2 3.48Å; Y943-F947 WeakPolarHBondContact O-CG 3.39Å; Y943-F947 PolarHBondContact O-N 3.01Å
944	E	95.2	Very high	96.9	Very high	90 Å²	90	20.2 Å²	20.2	42%	0.421	10%	0.096	S	C	.	.	H	α-helix	trans	-61.8	-34.8	178.8	-70.8	-60.5	149.7	0	0	112.6	H588 R591 L942 F947 A948	H588-E944 IonicContact CE1-OE1 3.38Å; H588-E944 PolarHBondContact CE1-OE1 3.14Å; H588-E944 VanDerWaalsContact CE1-OE1 3.29Å; H588-E944 IonicContact ND1-OE1 2.7Å; H588-E944 PolarHBondContact ND1-OE1 3.01Å; H588-E944 IonicContact ND1-OE2 3.76Å; H588-E944 PolarHBondContact ND1-OE2 3.39Å; R591-E944 IonicContact CZ-OE2 2.7Å; R591-E944 IonicContact NH1-OE2 3.81Å; R591-E944 PolarHBondContact NH1-OE2 2.83Å; R591-E944 IonicContact NH2-OE2 3Å; L942-E944 PolarHBondContact O-N 3.11Å; E944-F947 WeakPolarHBondContact O-CB 3.46Å; E944-F947 PolarHBondContact O-N 2.8Å; E944-A948 PolarHBondContact O-N 3.11Å
945	D	97.3	Very high	97	Very high	41 Å²	41	19.4 Å²	19.4	22%	0.219	9%	0.092	C	C	.	.	H	α-helix	trans	-75	-38.5	177.1	-69.4	-38.8	0	0	0	112.2	L941 L942 Y943 F947 A948 V949 V1003	L941-D945 HydrophobicContact CB-CB 4.13Å; L942-D945 CarbonylContact O-C 3.18Å; L942-D945 WeakPolarHBondContact O-CA 3.45Å; L942-D945 WeakPolarHBondContact O-CB 3.35Å; L942-D945 PolarHBondContact O-N 2.87Å; Y943-D945 PolarHBondContact O-N 2.82Å; D945-F947 VanDerWaalsContact C-N 3.26Å; D945-F947 PolarHBondContact O-N 3.4Å; D945-A948 PolarHBondContact O-N 3.29Å; D945-V949 WeakPolarHBondContact O-CB 3Å; D945-V949 WeakPolarHBondContact O-CG2 3.32Å; D945-V949 PolarHBondContact O-N 3.26Å; D945-V1003 HydrophobicContact CB-CB 4.03Å; D945-V1003 HydrophobicContact CB-CG1 4.14Å; D945-V1003 HydrophobicContact CB-CG2 3.5Å
946	V	98.1	Very high	97	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-57	-44.1	171.8	172.4	0	0	0	0	109.9	P863 K938 L941 L942 Y943 V949 W950	P863-V946 HydrophobicContact CB-CG1 4.3Å; P863-V946 HydrophobicContact CG-CG1 3.99Å; K938-V946 HydrophobicContact CD-CG1 4.1Å; K938-V946 HydrophobicContact CD-CG2 3.89Å; L941-V946 HydrophobicContact CB-CG2 3.66Å; L942-V946 VanDerWaalsContact O-CG2 3.31Å; L942-V946 WeakPolarHBondContact O-CG2 3.48Å; L942-V946 PolarHBondContact O-N 3.3Å; Y943-V946 WeakPolarHBondContact O-CB 3.44Å; Y943-V946 PolarHBondContact O-N 2.67Å; V946-V949 PolarHBondContact O-N 3.36Å; V946-W950 HydrophobicContact CG1-CD2 3.83Å; V946-W950 HydrophobicContact CG1-CE3 4.38Å; V946-W950 HydrophobicContact CG1-CG 4.08Å; V946-W950 HydrophobicContact CG1-CZ2 4.11Å; V946-W950 VanDerWaalsContact O-CB 3.24Å; V946-W950 WeakPolarHBondContact O-CB 3.19Å; V946-W950 VanDerWaalsContact O-CG 3.3Å; V946-W950 PolarHBondContact O-N 3.5Å
947	F	97.8	Very high	96.9	Very high	1 Å²	1	21.1 Å²	21.1	0%	0.004	10%	0.104	C	C	.	.	H	α-helix	trans	-58.7	-51	178.3	-56.7	-23.1	0	0	0	111.2	W595 P863 V866 I867 Y943 E944 D945 V949 W950 E951	W595-F947 HydrophobicContact CH2-CB 4.41Å; W595-F947 AromaticContact CH2-CD1 3.44Å; W595-F947 HydrophobicContact CH2-CD1 3.44Å; W595-F947 VanDerWaalsContact CH2-CD1 3.44Å; W595-F947 AromaticContact CH2-CE1 3.95Å; W595-F947 HydrophobicContact CH2-CE1 3.95Å; W595-F947 HydrophobicContact CH2-CG 4.13Å; W595-F947 HydrophobicContact CZ2-CB 3.87Å; W595-F947 AromaticContact CZ2-CD1 3.79Å; W595-F947 HydrophobicContact CZ2-CD1 3.79Å; W595-F947 AromaticContact CZ2-CG 4Å; W595-F947 HydrophobicContact CZ2-CG 4Å; P863-F947 HydrophobicContact CB-CD1 4.43Å; P863-F947 HydrophobicContact CB-CE1 4Å; V866-F947 HydrophobicContact CG1-CZ 3.97Å; I867-F947 HydrophobicContact CD1-CD1 4.5Å; I867-F947 HydrophobicContact CD1-CD2 3.97Å; I867-F947 HydrophobicContact CD1-CE1 4.12Å; I867-F947 HydrophobicContact CD1-CE2 3.59Å; I867-F947 HydrophobicContact CD1-CG 4.4Å; I867-F947 HydrophobicContact CD1-CZ 3.64Å; I867-F947 HydrophobicContact CG1-CD1 4.14Å; I867-F947 HydrophobicContact CG1-CD2 4.48Å; I867-F947 HydrophobicContact CG1-CE1 3.72Å; I867-F947 HydrophobicContact CG1-CE2 4.14Å; I867-F947 HydrophobicContact CG1-CG 4.47Å; I867-F947 HydrophobicContact CG1-CZ 3.72Å; Y943-F947 AromaticContact CD1-CE1 3.71Å; Y943-F947 HydrophobicContact CD1-CE1 3.71Å; Y943-F947 AromaticContact CD1-CZ 3.64Å; Y943-F947 HydrophobicContact CD1-CZ 3.64Å; Y943-F947 HydrophobicContact CG-CZ 4.34Å; Y943-F947 WeakPolarHBondContact O-CD1 3.48Å; Y943-F947 VanDerWaalsContact O-CD2 3.27Å; Y943-F947 WeakPolarHBondContact O-CD2 3.48Å; Y943-F947 WeakPolarHBondContact O-CG 3.39Å; Y943-F947 PolarHBondContact O-N 3.01Å; E944-F947 WeakPolarHBondContact O-CB 3.46Å; E944-F947 PolarHBondContact O-N 2.8Å; D945-F947 VanDerWaalsContact C-N 3.26Å; D945-F947 PolarHBondContact O-N 3.4Å; F947-V949 PolarHBondContact O-N 3.08Å; F947-W950 PolarHBondContact O-N 3.41Å; F947-E951 WeakPolarHBondContact O-CB 3.41Å; F947-E951 VanDerWaalsContact O-CD 3.27Å; F947-E951 WeakPolarHBondContact O-CG 3.44Å; F947-E951 PolarHBondContact O-N 3.44Å
948	A	97.3	Very high	96.6	Very high	11 Å²	11	29.1 Å²	29.1	9%	0.091	13%	0.134	C	C	.	.	H	α-helix	trans	-61.8	-43.3	179.2	0	0	0	0	0	112.3	E944 D945 V952	E944-A948 PolarHBondContact O-N 3.11Å; D945-A948 PolarHBondContact O-N 3.29Å; A948-V952 WeakPolarHBondContact O-CG2 3.5Å; A948-V952 PolarHBondContact O-N 3.45Å
949	V	98.4	Very high	96.4	Very high	4 Å²	4	29 Å²	29	2%	0.024	13%	0.133	C	C	.	.	H	α-helix	trans	-67.2	-44.3	-180	168.9	0	0	0	0	111.5	L941 D945 V946 F947 V952 I953 L968 V1003 L1007	L941-V949 HydrophobicContact CD1-CB 4.06Å; L941-V949 HydrophobicContact CD1-CG1 4.31Å; L941-V949 HydrophobicContact CD1-CG2 3.68Å; D945-V949 WeakPolarHBondContact O-CB 3Å; D945-V949 WeakPolarHBondContact O-CG2 3.32Å; D945-V949 PolarHBondContact O-N 3.26Å; V946-V949 PolarHBondContact O-N 3.36Å; F947-V949 PolarHBondContact O-N 3.08Å; V949-V952 PolarHBondContact O-N 3.42Å; V949-I953 HydrophobicContact CG1-CD1 3.61Å; V949-I953 HydrophobicContact CG1-CG1 4.26Å; V949-I953 VanDerWaalsContact O-CG1 3.3Å; V949-I953 WeakPolarHBondContact O-CG1 3.29Å; V949-I953 PolarHBondContact O-N 2.99Å; V949-L968 HydrophobicContact CG1-CD1 3.75Å; V949-V1003 HydrophobicContact CG2-CG1 3.43Å; V949-V1003 VanDerWaalsContact CG2-CG1 3.43Å; V949-L1007 HydrophobicContact CG2-CD1 4.33Å; V949-L1007 HydrophobicContact CG2-CD2 4.31Å; V949-L1007 HydrophobicContact CG2-CG 4.35Å
950	W	98.4	Very high	96.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.5	-41.7	-179.5	-78.7	18.7	0	0	0	112.4	L860 P863 L864 L881 D936 K938 V946 F947 V952 I953 W954	L860-W950 HydrophobicContact CD2-CH2 4.23Å; L860-W950 HydrophobicContact CD2-CZ2 4.01Å; L860-W950 VanDerWaalsContact O-CH2 3.31Å; L860-W950 WeakPolarHBondContact O-CH2 3.19Å; P863-W950 HydrophobicContact CB-CE3 4.18Å; P863-W950 HydrophobicContact CB-CH2 4.01Å; P863-W950 HydrophobicContact CB-CZ3 3.65Å; P863-W950 HydrophobicContact CG-CH2 3.64Å; P863-W950 HydrophobicContact CG-CZ2 4.25Å; P863-W950 HydrophobicContact CG-CZ3 3.84Å; L864-W950 HydrophobicContact CD2-CZ3 4.39Å; L864-W950 HydrophobicContact CG-CZ3 4.45Å; L881-W950 HydrophobicContact CD2-CH2 4.36Å; L881-W950 HydrophobicContact CD2-CZ3 4.24Å; D936-W950 PolarHBondContact O-NE1 3.21Å; K938-W950 HydrophobicContact CB-CZ2 4.38Å; V946-W950 HydrophobicContact CG1-CD2 3.83Å; V946-W950 HydrophobicContact CG1-CE3 4.38Å; V946-W950 HydrophobicContact CG1-CG 4.08Å; V946-W950 HydrophobicContact CG1-CZ2 4.11Å; V946-W950 VanDerWaalsContact O-CB 3.24Å; V946-W950 WeakPolarHBondContact O-CB 3.19Å; V946-W950 VanDerWaalsContact O-CG 3.3Å; V946-W950 PolarHBondContact O-N 3.5Å; F947-W950 PolarHBondContact O-N 3.41Å; W950-V952 VanDerWaalsContact C-N 3.27Å; W950-V952 PolarHBondContact O-N 2.81Å; W950-I953 PolarHBondContact O-N 3.39Å; W950-W954 HydrophobicContact CB-CD2 4.46Å; W950-W954 HydrophobicContact CB-CH2 4.08Å; W950-W954 HydrophobicContact CB-CZ2 3.74Å; W950-W954 HydrophobicContact CD2-CZ2 4.04Å; W950-W954 AromaticContact CE3-CH2 3.95Å; W950-W954 HydrophobicContact CE3-CH2 3.95Å; W950-W954 AromaticContact CE3-CZ2 3.43Å; W950-W954 HydrophobicContact CE3-CZ2 3.43Å; W950-W954 VanDerWaalsContact CE3-CZ2 3.43Å; W950-W954 HydrophobicContact CG-CZ2 4.23Å; W950-W954 HydrophobicContact CZ3-CZ2 4.27Å; W950-W954 PolarHBondContact O-N 3.24Å
951	E	98.3	Very high	96.1	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-53.9	-45.7	173.6	-75.3	162.8	-174.8	0	0	111.2	V581 V586 R591 W595 L598 F947 V955	V581-E951 HydrophobicContact CG1-CB 3.93Å; V586-E951 HydrophobicContact CB-CG 4.42Å; V586-E951 WeakPolarHBondContact CB-OE1 3.48Å; V586-E951 WeakPolarHBondContact CB-OE2 3.43Å; V586-E951 HydrophobicContact CG2-CB 4.49Å; V586-E951 HydrophobicContact CG2-CG 3.93Å; V586-E951 PolarHBondContact N-OE2 3.11Å; R591-E951 VanDerWaalsContact CD-OE1 3.31Å; R591-E951 WeakPolarHBondContact CD-OE1 3.43Å; R591-E951 WeakPolarHBondContact CG-OE1 3.37Å; R591-E951 IonicContact CZ-OE1 3.84Å; R591-E951 IonicContact NE-OE1 3.37Å; R591-E951 PolarHBondContact NE-OE1 3.48Å; W595-E951 PolarHBondContact NE1-OE1 3.14Å; L598-E951 HydrophobicContact CD1-CG 4.4Å; F947-E951 WeakPolarHBondContact O-CB 3.41Å; F947-E951 VanDerWaalsContact O-CD 3.27Å; F947-E951 WeakPolarHBondContact O-CG 3.44Å; F947-E951 PolarHBondContact O-N 3.44Å; E951-V955 WeakPolarHBondContact O-CG2 3.43Å; E951-V955 PolarHBondContact O-N 2.95Å
952	V	97.9	Very high	95.9	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.012	15%	0.154	C	C	.	.	H	α-helix	trans	-68.3	-43.8	177.3	179.9	0	0	0	0	111.5	Y582 A948 V949 W950 W954 V955 A956 F964 L1007	Y582-V952 HydrophobicContact CD2-CG1 3.75Å; Y582-V952 HydrophobicContact CE2-CG1 3.9Å; A948-V952 WeakPolarHBondContact O-CG2 3.5Å; A948-V952 PolarHBondContact O-N 3.45Å; V949-V952 PolarHBondContact O-N 3.42Å; W950-V952 VanDerWaalsContact C-N 3.27Å; W950-V952 PolarHBondContact O-N 2.81Å; V952-W954 VanDerWaalsContact C-N 3.28Å; V952-W954 PolarHBondContact O-N 3.23Å; V952-V955 PolarHBondContact O-N 2.89Å; V952-A956 VanDerWaalsContact O-CB 3.23Å; V952-A956 WeakPolarHBondContact O-CB 3.49Å; V952-A956 PolarHBondContact O-N 3.23Å; V952-F964 HydrophobicContact CB-CE1 4.4Å; V952-F964 HydrophobicContact CG1-CD1 4.03Å; V952-F964 HydrophobicContact CG1-CE1 3.38Å; V952-F964 HydrophobicContact CG1-CZ 3.72Å; V952-L1007 HydrophobicContact CB-CD2 4.05Å; V952-L1007 HydrophobicContact CG1-CD2 4.09Å; V952-L1007 HydrophobicContact CG2-CD2 4.06Å
953	I	97.8	Very high	95.8	Very high	8 Å²	8	33 Å²	33	4%	0.041	14%	0.144	C	C	.	.	H	α-helix	trans	-57.4	-41.7	177.4	-71.8	167.7	0	0	0	111.2	D936 V949 W950 P957 F964 V965 L968	D936-I953 HydrophobicContact CB-CD1 4.17Å; V949-I953 HydrophobicContact CG1-CD1 3.61Å; V949-I953 HydrophobicContact CG1-CG1 4.26Å; V949-I953 VanDerWaalsContact O-CG1 3.3Å; V949-I953 WeakPolarHBondContact O-CG1 3.29Å; V949-I953 PolarHBondContact O-N 2.99Å; W950-I953 PolarHBondContact O-N 3.39Å; I953-P957 WeakPolarHBondContact O-CD 3.36Å; I953-F964 HydrophobicContact CG1-CD1 4.4Å; I953-V965 HydrophobicContact CD1-CG1 3.91Å; I953-V965 HydrophobicContact CG1-CG1 4.03Å; I953-V965 HydrophobicContact CG2-CG1 3.99Å; I953-L968 HydrophobicContact CD1-CD1 3.75Å; I953-L968 HydrophobicContact CG1-CD1 3.67Å
954	W	97.6	Very high	95.8	Very high	28 Å²	28	32.2 Å²	32.2	11%	0.106	14%	0.141	C	C	.	.	H	α-helix	trans	-70.3	-34	-176.9	-60.1	-22	0	0	0	112.9	W595 L598 L599 L864 W950 V952	W595-W954 HydrophobicContact CB-CZ3 4.47Å; W595-W954 AromaticContact CD2-CH2 3.9Å; W595-W954 HydrophobicContact CD2-CH2 3.9Å; W595-W954 AromaticContact CD2-CZ3 3.76Å; W595-W954 HydrophobicContact CD2-CZ3 3.76Å; W595-W954 AromaticContact CE2-CZ3 3.89Å; W595-W954 AromaticContact CE3-CH2 3.87Å; W595-W954 HydrophobicContact CE3-CH2 3.87Å; W595-W954 HydrophobicContact CE3-CZ3 4.21Å; W595-W954 HydrophobicContact CG-CH2 4.45Å; W595-W954 AromaticContact CG-CZ3 3.9Å; W595-W954 HydrophobicContact CG-CZ3 3.9Å; W595-W954 HydrophobicContact CH2-CH2 4.22Å; W595-W954 HydrophobicContact CZ2-CH2 4.27Å; W595-W954 HydrophobicContact CZ2-CZ3 4.39Å; W595-W954 HydrophobicContact CZ3-CH2 4.05Å; L598-W954 HydrophobicContact CB-CB 4.5Å; L598-W954 HydrophobicContact CB-CE3 3.91Å; L598-W954 HydrophobicContact CD1-CE3 4.13Å; L599-W954 HydrophobicContact CD1-CH2 3.99Å; L599-W954 HydrophobicContact CD1-CZ2 4.25Å; L599-W954 HydrophobicContact CD1-CZ3 4.33Å; L599-W954 HydrophobicContact CD2-CD2 3.86Å; L599-W954 HydrophobicContact CD2-CE3 4.29Å; L599-W954 HydrophobicContact CD2-CG 4.38Å; L599-W954 HydrophobicContact CD2-CH2 4.12Å; L599-W954 HydrophobicContact CD2-CZ2 3.66Å; L599-W954 HydrophobicContact CD2-CZ3 4.42Å; L599-W954 HydrophobicContact CG-CD2 4.32Å; L599-W954 HydrophobicContact CG-CE3 4.26Å; L599-W954 HydrophobicContact CG-CH2 4.15Å; L599-W954 HydrophobicContact CG-CZ2 4.21Å; L599-W954 HydrophobicContact CG-CZ3 4.18Å; L864-W954 HydrophobicContact CD2-CH2 4.2Å; L864-W954 HydrophobicContact CD2-CZ2 4.44Å; W950-W954 HydrophobicContact CB-CD2 4.46Å; W950-W954 HydrophobicContact CB-CH2 4.08Å; W950-W954 HydrophobicContact CB-CZ2 3.74Å; W950-W954 HydrophobicContact CD2-CZ2 4.04Å; W950-W954 AromaticContact CE3-CH2 3.95Å; W950-W954 HydrophobicContact CE3-CH2 3.95Å; W950-W954 AromaticContact CE3-CZ2 3.43Å; W950-W954 HydrophobicContact CE3-CZ2 3.43Å; W950-W954 VanDerWaalsContact CE3-CZ2 3.43Å; W950-W954 HydrophobicContact CG-CZ2 4.23Å; W950-W954 HydrophobicContact CZ3-CZ2 4.27Å; W950-W954 PolarHBondContact O-N 3.24Å; V952-W954 VanDerWaalsContact C-N 3.28Å; V952-W954 PolarHBondContact O-N 3.23Å
955	V	96.8	Very high	95.8	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.012	13%	0.125	C	C	.	.	H	α-helix	trans	-91.3	-26	-178.4	-54.8	0	0	0	0	113.7	L578 V581 Y582 L598 E951 V952 P957 R958 I959	L578-V955 HydrophobicContact CB-CB 4.29Å; L578-V955 HydrophobicContact CB-CG1 4.46Å; L578-V955 HydrophobicContact CD2-CB 4.29Å; L578-V955 HydrophobicContact CD2-CG1 3.7Å; V581-V955 HydrophobicContact CB-CG1 4.1Å; V581-V955 HydrophobicContact CB-CG2 4.39Å; V581-V955 HydrophobicContact CG1-CG1 3.74Å; V581-V955 HydrophobicContact CG1-CG2 4.08Å; Y582-V955 HydrophobicContact CD2-CG2 4.08Å; Y582-V955 HydrophobicContact CG-CG2 4.4Å; L598-V955 HydrophobicContact CD1-CG1 4.46Å; L598-V955 HydrophobicContact CD2-CG1 3.79Å; E951-V955 WeakPolarHBondContact O-CG2 3.43Å; E951-V955 PolarHBondContact O-N 2.95Å; V952-V955 PolarHBondContact O-N 2.89Å; V955-P957 VanDerWaalsContact C-N 3.32Å; V955-P957 VanDerWaalsContact O-N 3.17Å; V955-R958 PolarHBondContact O-N 3.44Å; V955-I959 PolarHBondContact O-N 3.19Å
956	A	96.3	Very high	95.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-52.1	-37	-177.9	0	0	0	0	0	114.9	Y582 V952 R958 I959 S960 S961 F964	Y582-A956 HydrophobicContact CD2-CB 4.16Å; Y582-A956 HydrophobicContact CE2-CB 3.84Å; V952-A956 VanDerWaalsContact O-CB 3.23Å; V952-A956 WeakPolarHBondContact O-CB 3.49Å; V952-A956 PolarHBondContact O-N 3.23Å; A956-R958 PolarHBondContact O-N 3.02Å; A956-I959 PolarHBondContact O-N 3.17Å; A956-S960 PolarHBondContact O-N 2.83Å; A956-S961 CarbonylContact C-O 3.58Å; A956-S961 PolarHBondContact O-N 2.92Å; A956-F964 HydrophobicContact CB-CB 3.47Å; A956-F964 VanDerWaalsContact CB-CB 3.47Å; A956-F964 HydrophobicContact CB-CD1 4.16Å; A956-F964 HydrophobicContact CB-CD2 3.95Å; A956-F964 HydrophobicContact CB-CG 3.59Å
957	P	93.9	Very high	95.7	Very high	46 Å²	46	26.5 Å²	26.5	30%	0.299	11%	0.114	S	C	.	.	H	α-helix	trans	-56.9	-22.9	175.9	-30	37	0	0	0	115.3	I953 V955 S961 R962	I953-P957 WeakPolarHBondContact O-CD 3.36Å; V955-P957 VanDerWaalsContact C-N 3.32Å; V955-P957 VanDerWaalsContact O-N 3.17Å; P957-S961 WeakPolarHBondContact CA-O 3.03Å; P957-R962 HydrophobicContact CB-CG 4.16Å
958	R	91.8	Very high	95.7	Very high	177 Å²	177	26.6 Å²	26.6	67%	0.668	12%	0.115	S	C	*	.	H	α-helix	trans	-98	-19.2	177.9	-62.3	-62.5	-170	166.2	3	113.3	L578 V955 A956	L578-R958 HydrophobicContact CD1-CB 3.9Å; L578-R958 HydrophobicContact CD1-CG 3.99Å; V955-R958 PolarHBondContact O-N 3.44Å; A956-R958 PolarHBondContact O-N 3.02Å
959	I	92.2	Very high	95.6	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-106.6	-46.3	-171.8	-58.6	-61.9	0	0	0	112.2	T541 V545 L575 L578 R579 Y582 V955 A956	T541-I959 PolarHBondContact OG1-O 3.26Å; V545-I959 HydrophobicContact CB-CG2 4.01Å; V545-I959 HydrophobicContact CG1-CG2 4.3Å; V545-I959 HydrophobicContact CG2-CG2 4.28Å; V545-I959 WeakPolarHBondContact CG2-O 3.38Å; L575-I959 HydrophobicContact CD1-CD1 3.68Å; L575-I959 HydrophobicContact CG-CD1 4.29Å; L578-I959 HydrophobicContact CB-CD1 3.93Å; L578-I959 HydrophobicContact CB-CG1 4.25Å; R579-I959 HydrophobicContact CB-CD1 4.3Å; Y582-I959 HydrophobicContact CD1-CG2 3.67Å; Y582-I959 HydrophobicContact CD2-CB 4.27Å; Y582-I959 HydrophobicContact CD2-CG2 4.23Å; Y582-I959 HydrophobicContact CE1-CG2 4.02Å; Y582-I959 HydrophobicContact CG-CB 4.18Å; Y582-I959 HydrophobicContact CG-CG1 4.46Å; Y582-I959 HydrophobicContact CG-CG2 3.76Å; V955-I959 PolarHBondContact O-N 3.19Å; A956-I959 PolarHBondContact O-N 3.17Å
960	S	93	Very high	95.5	Very high	4 Å²	4	26 Å²	26	3%	0.028	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.4	-42.3	-166.2	79.2	0	0	0	0	114.9	T541 Y582 A956	T541-S960 PolarHBondContact N-O 2.86Å; T541-S960 VanDerWaalsContact OG1-C 3.24Å; T541-S960 VanDerWaalsContact OG1-CA 3.26Å; T541-S960 WeakPolarHBondContact OG1-CA 3.46Å; T541-S960 PolarHBondContact OG1-O 3.39Å; Y582-S960 WeakPolarHBondContact CE2-OG 3.38Å; Y582-S960 WeakPolarHBondContact OH-CB 3.31Å; Y582-S960 PolarHBondContact OH-OG 3.5Å; A956-S960 PolarHBondContact O-N 2.83Å
961	S	93.4	Very high	95.4	Very high	0 Å²	0	26 Å²	26	0%	0	11%	0.11	C	C	.	.			trans	-165.7	135.8	-172.2	174.3	0	0	0	0	111.8	M539 A956 P957 H963 F964	M539-S961 WeakPolarHBondContact O-CB 3.4Å; M539-S961 PolarHBondContact O-OG 2.9Å; A956-S961 CarbonylContact C-O 3.58Å; A956-S961 PolarHBondContact O-N 2.92Å; P957-S961 WeakPolarHBondContact CA-O 3.03Å; S961-H963 PolarHBondContact O-N 2.83Å; S961-H963 PolarHBondContact OG-N 3.02Å; S961-F964 PolarHBondContact OG-N 2.86Å
962	R	91.4	Very high	95.2	Very high	203 Å²	203	26.2 Å²	26.2	77%	0.766	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-16.3	169.1	-65.4	-175.4	175.5	172	0.4	113.1	P957	P957-R962 HydrophobicContact CB-CG 4.16Å
963	H	92.9	Very high	95	Very high	53 Å²	53	26.2 Å²	26.2	25%	0.245	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	30.6	-175.2	-61.3	-72.4	0	0	0	111.7	M539 S961 V965 L966	M539-H963 HydrophobicContact CE-CB 4.04Å; M539-H963 HydrophobicContact SD-CB 4.48Å; S961-H963 PolarHBondContact O-N 2.83Å; S961-H963 PolarHBondContact OG-N 3.02Å; H963-V965 PolarHBondContact O-N 3.37Å; H963-V965 VanDerWaalsContact O-N 3.09Å; H963-L966 HydrophobicContact CB-CD1 3.99Å; H963-L966 HydrophobicContact CB-CG 4.35Å; H963-L966 WeakPolarHBondContact O-CB 3.39Å; H963-L966 PolarHBondContact O-N 2.81Å
964	F	96	Very high	94.8	Very high	3 Å²	3	27.8 Å²	27.8	1%	0.013	12%	0.121	C	C	.	.	H	α-helix	trans	-55.9	-30.5	-175.3	-167.7	-101.9	0	0	0	113.8	Y582 V952 I953 A956 S961 L966 F967 L968 L1007 A1010 R1011 V1014	Y582-F964 HydrophobicContact CE2-CD2 4.27Å; Y582-F964 AromaticContact CE2-CE2 3.94Å; Y582-F964 HydrophobicContact CE2-CE2 3.94Å; Y582-F964 HydrophobicContact CE2-CZ 4.29Å; Y582-F964 WeakPolarHBondContact OH-CE2 3.43Å; V952-F964 HydrophobicContact CB-CE1 4.4Å; V952-F964 HydrophobicContact CG1-CD1 4.03Å; V952-F964 HydrophobicContact CG1-CE1 3.38Å; V952-F964 HydrophobicContact CG1-CZ 3.72Å; I953-F964 HydrophobicContact CG1-CD1 4.4Å; A956-F964 HydrophobicContact CB-CB 3.47Å; A956-F964 VanDerWaalsContact CB-CB 3.47Å; A956-F964 HydrophobicContact CB-CD1 4.16Å; A956-F964 HydrophobicContact CB-CD2 3.95Å; A956-F964 HydrophobicContact CB-CG 3.59Å; S961-F964 PolarHBondContact OG-N 2.86Å; F964-L966 PolarHBondContact O-N 2.83Å; F964-F967 WeakPolarHBondContact O-CB 3.09Å; F964-F967 PolarHBondContact O-N 3.34Å; F964-L968 HydrophobicContact CD1-CD1 3.93Å; F964-L968 HydrophobicContact CD1-CG 3.98Å; F964-L968 HydrophobicContact CE1-CD1 3.98Å; F964-L968 HydrophobicContact CE1-CD2 3.95Å; F964-L968 HydrophobicContact CE1-CG 3.75Å; F964-L968 PolarHBondContact O-N 3.14Å; F964-L1007 HydrophobicContact CE1-CD2 4.31Å; F964-A1010 HydrophobicContact CE1-CB 4.5Å; F964-A1010 HydrophobicContact CE2-CB 4.35Å; F964-A1010 HydrophobicContact CZ-CB 3.89Å; F964-R1011 HydrophobicContact CE2-CG 4.29Å; F964-R1011 HydrophobicContact CZ-CG 4.23Å; F964-V1014 HydrophobicContact CD2-CG2 4.02Å; F964-V1014 HydrophobicContact CE2-CG2 4.07Å
965	V	96.1	Very high	94.6	Very high	12 Å²	12	28.9 Å²	28.9	7%	0.073	13%	0.128	C	C	.	.	H	α-helix	trans	-56.6	-30.7	174.1	-63.7	0	0	0	0	113.6	F933 F937 I953 H963 L968 A969	F933-V965 HydrophobicContact CD1-CB 4.47Å; F933-V965 HydrophobicContact CD1-CG2 4.47Å; F937-V965 HydrophobicContact CE2-CB 4.39Å; I953-V965 HydrophobicContact CD1-CG1 3.91Å; I953-V965 HydrophobicContact CG1-CG1 4.03Å; I953-V965 HydrophobicContact CG2-CG1 3.99Å; H963-V965 PolarHBondContact O-N 3.37Å; H963-V965 VanDerWaalsContact O-N 3.09Å; V965-L968 PolarHBondContact O-N 2.71Å; V965-A969 PolarHBondContact O-N 2.98Å
966	L	95.3	Very high	94.5	Very high	0 Å²	0	30 Å²	30	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-71.7	-35.8	176.1	-59.9	-178.7	0	0	0	111.3	M539 H898 N901 L905 F933 H963 F964 A969 L970	M539-L966 HydrophobicContact CE-CB 4.47Å; M539-L966 HydrophobicContact CE-CD1 3.44Å; M539-L966 VanDerWaalsContact CE-CD1 3.44Å; M539-L966 HydrophobicContact SD-CD1 4.45Å; H898-L966 HydrophobicContact CB-CD2 3.84Å; N901-L966 HydrophobicContact CB-CD1 3.52Å; L905-L966 HydrophobicContact CD1-CB 3.93Å; F933-L966 HydrophobicContact CE1-CD2 3.74Å; F933-L966 HydrophobicContact CE2-CD2 4.24Å; F933-L966 HydrophobicContact CZ-CD2 3.59Å; H963-L966 HydrophobicContact CB-CD1 3.99Å; H963-L966 HydrophobicContact CB-CG 4.35Å; H963-L966 WeakPolarHBondContact O-CB 3.39Å; H963-L966 PolarHBondContact O-N 2.81Å; F964-L966 PolarHBondContact O-N 2.83Å; L966-A969 PolarHBondContact O-N 3.47Å; L966-L970 VanDerWaalsContact O-CB 3.31Å; L966-L970 WeakPolarHBondContact O-CB 3.12Å; L966-L970 PolarHBondContact O-N 2.95Å
967	F	96.6	Very high	94.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-73	-31	176.2	-65.2	-85.1	0	0	0	112.2	M539 V540 L905 F964 A971 A1010 L1013 V1014 V1017	M539-F967 HydrophobicContact CB-CZ 4.46Å; M539-F967 HydrophobicContact CE-CE2 4.45Å; V540-F967 HydrophobicContact CG1-CE1 4.43Å; V540-F967 HydrophobicContact CG1-CE2 3.99Å; V540-F967 HydrophobicContact CG1-CZ 3.55Å; L905-F967 HydrophobicContact CD2-CE1 4.24Å; L905-F967 HydrophobicContact CD2-CZ 4.34Å; F964-F967 WeakPolarHBondContact O-CB 3.09Å; F964-F967 PolarHBondContact O-N 3.34Å; F967-A971 WeakPolarHBondContact O-CB 3.38Å; F967-A971 PolarHBondContact O-N 3.28Å; F967-A1010 HydrophobicContact CB-CB 4.3Å; F967-L1013 HydrophobicContact CD1-CB 3.92Å; F967-V1014 HydrophobicContact CB-CG2 3.88Å; F967-V1014 HydrophobicContact CD1-CB 4.46Å; F967-V1014 HydrophobicContact CD1-CG2 3.6Å; F967-V1014 HydrophobicContact CD2-CG2 3.59Å; F967-V1014 HydrophobicContact CE1-CG2 3.96Å; F967-V1014 HydrophobicContact CE2-CG2 3.95Å; F967-V1014 HydrophobicContact CG-CG2 3.4Å; F967-V1014 HydrophobicContact CZ-CG2 4.12Å; F967-V1017 HydrophobicContact CE1-CB 4.39Å; F967-V1017 HydrophobicContact CE1-CG2 3.89Å; F967-V1017 HydrophobicContact CZ-CG2 4.37Å
968	L	97.6	Very high	94.4	Very high	3 Å²	3	35 Å²	35	2%	0.016	15%	0.15	C	C	.	.	H	α-helix	trans	-63.7	-49.3	168.8	-75.1	171.1	0	0	0	111.7	F937 V949 I953 F964 V965 L970 A971 L972 I1006 L1007 A1010	F937-L968 HydrophobicContact CD2-CD1 4.45Å; F937-L968 HydrophobicContact CE1-CB 4.5Å; F937-L968 HydrophobicContact CE2-CB 3.86Å; F937-L968 HydrophobicContact CE2-CD1 4.09Å; F937-L968 HydrophobicContact CZ-CB 3.74Å; V949-L968 HydrophobicContact CG1-CD1 3.75Å; I953-L968 HydrophobicContact CD1-CD1 3.75Å; I953-L968 HydrophobicContact CG1-CD1 3.67Å; F964-L968 HydrophobicContact CD1-CD1 3.93Å; F964-L968 HydrophobicContact CD1-CG 3.98Å; F964-L968 HydrophobicContact CE1-CD1 3.98Å; F964-L968 HydrophobicContact CE1-CD2 3.95Å; F964-L968 HydrophobicContact CE1-CG 3.75Å; F964-L968 PolarHBondContact O-N 3.14Å; V965-L968 PolarHBondContact O-N 2.71Å; L968-L970 VanDerWaalsContact C-N 3.3Å; L968-L970 PolarHBondContact O-N 3.09Å; L968-A971 PolarHBondContact O-N 3.31Å; L968-L972 WeakPolarHBondContact O-CB 3.22Å; L968-L972 PolarHBondContact O-N 3.48Å; L968-I1006 HydrophobicContact CD2-CG2 4.02Å; L968-L1007 HydrophobicContact CD2-CD2 3.82Å; L968-A1010 HydrophobicContact CD2-CB 3.98Å; L968-A1010 HydrophobicContact CG-CB 4.42Å
969	A	96.5	Very high	94.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.1	-43.1	176	0	0	0	0	0	111.3	M902 W932 F933 F937 V965 L966 L972 V973	M902-A969 HydrophobicContact CE-CB 3.89Å; M902-A969 HydrophobicContact SD-CB 4.11Å; W932-A969 HydrophobicContact CE3-CB 3.85Å; W932-A969 HydrophobicContact CZ3-CB 4.13Å; F933-A969 HydrophobicContact CE1-CB 3.63Å; F933-A969 HydrophobicContact CZ-CB 3.7Å; F937-A969 HydrophobicContact CE1-CB 4.33Å; F937-A969 HydrophobicContact CZ-CB 4.03Å; V965-A969 PolarHBondContact O-N 2.98Å; L966-A969 PolarHBondContact O-N 3.47Å; A969-L972 PolarHBondContact O-N 2.59Å; A969-V973 WeakPolarHBondContact O-CG2 3.48Å; A969-V973 PolarHBondContact O-N 2.98Å
970	L	94.8	Very high	94.4	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-65.2	-42.2	178	-177.3	63.1	0	0	0	112	M902 L905 I906 L909 L966 L968 L972 V973 T974 L1013	M902-L970 VanDerWaalsContact CE-CA 3.49Å; M902-L970 HydrophobicContact CE-CB 3.94Å; M902-L970 HydrophobicContact CE-CD1 4.17Å; M902-L970 HydrophobicContact SD-CB 4.28Å; L905-L970 HydrophobicContact CB-CD2 4.27Å; I906-L970 HydrophobicContact CD1-CD1 4.24Å; I906-L970 HydrophobicContact CG1-CD1 3.42Å; I906-L970 VanDerWaalsContact CG1-CD1 3.42Å; L909-L970 HydrophobicContact CD1-CD2 3.45Å; L909-L970 VanDerWaalsContact CD1-CD2 3.45Å; L966-L970 VanDerWaalsContact O-CB 3.31Å; L966-L970 WeakPolarHBondContact O-CB 3.12Å; L966-L970 PolarHBondContact O-N 2.95Å; L968-L970 VanDerWaalsContact C-N 3.3Å; L968-L970 PolarHBondContact O-N 3.09Å; L970-L972 VanDerWaalsContact C-N 3.3Å; L970-L972 PolarHBondContact O-N 2.84Å; L970-V973 PolarHBondContact O-N 2.97Å; L970-T974 VanDerWaalsContact O-CB 3.28Å; L970-T974 WeakPolarHBondContact O-CB 3.42Å; L970-T974 PolarHBondContact O-N 2.99Å; L970-T974 PolarHBondContact O-OG1 2.79Å; L970-L1013 HydrophobicContact CB-CD1 4.16Å; L970-L1013 HydrophobicContact CD2-CD1 3.93Å; L970-L1013 HydrophobicContact CD2-CD2 4.09Å; L970-L1013 HydrophobicContact CD2-CG 4.46Å; L970-L1013 HydrophobicContact CG-CD1 3.81Å
971	A	97	Very high	94.3	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.1	-42.4	175.2	0	0	0	0	0	111.4	F967 L968 T974 L975 I1006 M1009 A1010 L1013	F967-A971 WeakPolarHBondContact O-CB 3.38Å; F967-A971 PolarHBondContact O-N 3.28Å; L968-A971 PolarHBondContact O-N 3.31Å; A971-T974 PolarHBondContact O-N 3.27Å; A971-L975 WeakPolarHBondContact O-CB 3.43Å; A971-L975 PolarHBondContact O-N 2.69Å; A971-I1006 HydrophobicContact CB-CG2 4.1Å; A971-M1009 HydrophobicContact CB-CB 3.84Å; A971-A1010 HydrophobicContact CB-CB 3.95Å; A971-L1013 HydrophobicContact CB-CD1 4.01Å
972	L	95.1	Very high	94.4	Very high	6 Å²	6	37 Å²	37	3%	0.031	17%	0.173	C	C	.	.	H	α-helix	trans	-63	-43.8	178	-173.6	61	0	0	0	111.9	W932 L968 A969 L970 Y976 F994 I1006	W932-L972 HydrophobicContact CD2-CD2 4.23Å; W932-L972 HydrophobicContact CE3-CD2 4.18Å; W932-L972 HydrophobicContact CH2-CD2 3.5Å; W932-L972 HydrophobicContact CH2-CG 4.03Å; W932-L972 HydrophobicContact CZ2-CD2 3.54Å; W932-L972 HydrophobicContact CZ2-CG 4.42Å; W932-L972 HydrophobicContact CZ3-CB 4.46Å; W932-L972 HydrophobicContact CZ3-CD2 3.83Å; W932-L972 HydrophobicContact CZ3-CG 4.41Å; L968-L972 WeakPolarHBondContact O-CB 3.22Å; L968-L972 PolarHBondContact O-N 3.48Å; A969-L972 PolarHBondContact O-N 2.59Å; L970-L972 VanDerWaalsContact C-N 3.3Å; L970-L972 PolarHBondContact O-N 2.84Å; L972-Y976 HydrophobicContact CD1-CD2 4.44Å; L972-Y976 HydrophobicContact CD1-CE2 3.92Å; L972-Y976 VanDerWaalsContact O-CD2 3.3Å; L972-Y976 WeakPolarHBondContact O-CD2 3.47Å; L972-F994 HydrophobicContact CD1-CE1 4.2Å; L972-F994 HydrophobicContact CD2-CD1 4.38Å; L972-F994 HydrophobicContact CD2-CE1 4.21Å; L972-F994 HydrophobicContact CG-CD1 4.35Å; L972-F994 HydrophobicContact CG-CE1 3.73Å; L972-F994 HydrophobicContact CG-CZ 4.45Å; L972-I1006 HydrophobicContact CD1-CD1 3.61Å; L972-I1006 HydrophobicContact CD1-CG1 4.35Å
973	V	93.4	Very high	94.4	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	16%	0.163	C	C	.	.	H	α-helix	trans	-66	-42.2	174.4	172.5	0	0	0	0	111.5	M902 L913 F928 W932 A969 L970 L975 Y976 R977 I980 F994	M902-V973 HydrophobicContact CE-CG2 4.28Å; L913-V973 HydrophobicContact CD2-CG1 3.44Å; L913-V973 VanDerWaalsContact CD2-CG1 3.44Å; F928-V973 HydrophobicContact CE2-CG2 3.92Å; F928-V973 HydrophobicContact CZ-CG2 4.17Å; W932-V973 HydrophobicContact CH2-CG2 4.24Å; W932-V973 HydrophobicContact CZ3-CG2 4.12Å; A969-V973 WeakPolarHBondContact O-CG2 3.48Å; A969-V973 PolarHBondContact O-N 2.98Å; L970-V973 PolarHBondContact O-N 2.97Å; V973-L975 VanDerWaalsContact C-N 3.34Å; V973-L975 PolarHBondContact O-N 3.39Å; V973-Y976 CarbonylContact O-C 3.53Å; V973-Y976 PolarHBondContact O-N 3.22Å; V973-R977 PolarHBondContact O-N 3.17Å; V973-R977 VanDerWaalsContact O-N 3.11Å; V973-I980 HydrophobicContact CG1-CD1 4.45Å; V973-F994 HydrophobicContact CG2-CZ 4.41Å
974	T	92.5	Very high	94.2	Very high	42 Å²	42	34.2 Å²	34.2	26%	0.258	18%	0.175	S	C	.	.	H	α-helix	trans	-66.3	-36.1	-179.4	-54.8	0	0	0	0	111.7	L970 A971 Y976 R977 M1009	L970-T974 VanDerWaalsContact O-CB 3.28Å; L970-T974 WeakPolarHBondContact O-CB 3.42Å; L970-T974 PolarHBondContact O-N 2.99Å; L970-T974 PolarHBondContact O-OG1 2.79Å; A971-T974 PolarHBondContact O-N 3.27Å; T974-Y976 PolarHBondContact O-N 3.39Å; T974-R977 WeakPolarHBondContact O-CB 3.4Å; T974-R977 PolarHBondContact O-N 3.31Å; T974-M1009 HydrophobicContact CG2-CE 3.75Å
975	L	94.6	Very high	93.9	Very high	50 Å²	50	35.4 Å²	35.4	26%	0.262	18%	0.181	S	C	.	.	H	α-helix	trans	-59.6	-36.6	178.5	179	61.5	0	0	0	112	A971 V973 L1005 I1006 M1009	A971-L975 WeakPolarHBondContact O-CB 3.43Å; A971-L975 PolarHBondContact O-N 2.69Å; V973-L975 VanDerWaalsContact C-N 3.34Å; V973-L975 PolarHBondContact O-N 3.39Å; L975-L1005 HydrophobicContact CD1-CD2 3.5Å; L975-L1005 HydrophobicContact CD1-CG 4.23Å; L975-I1006 HydrophobicContact CD2-CD1 4.36Å; L975-I1006 HydrophobicContact CD2-CG1 3.97Å; L975-M1009 HydrophobicContact CB-CE 4.3Å; L975-M1009 HydrophobicContact CB-SD 4.19Å; L975-M1009 HydrophobicContact CD1-SD 3.97Å
976	Y	94.2	Very high	93.3	Very high	27 Å²	27	37.8 Å²	37.8	11%	0.106	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	14.7	-179.9	-58.3	-64.8	0	0	0	113.3	L972 V973 T974 E978 I979 I980 F993 F994 M997 H1001	L972-Y976 HydrophobicContact CD1-CD2 4.44Å; L972-Y976 HydrophobicContact CD1-CE2 3.92Å; L972-Y976 VanDerWaalsContact O-CD2 3.3Å; L972-Y976 WeakPolarHBondContact O-CD2 3.47Å; V973-Y976 CarbonylContact O-C 3.53Å; V973-Y976 PolarHBondContact O-N 3.22Å; T974-Y976 PolarHBondContact O-N 3.39Å; Y976-E978 PolarHBondContact O-N 2.98Å; Y976-I979 HydrophobicContact CD1-CD1 4.06Å; Y976-I979 WeakPolarHBondContact O-CB 3.11Å; Y976-I979 PolarHBondContact O-N 3.43Å; Y976-I979 VanDerWaalsContact O-N 3.14Å; Y976-I980 WeakPolarHBondContact O-CG1 3.5Å; Y976-I980 PolarHBondContact O-N 3Å; Y976-F993 HydrophobicContact CD1-CE1 4.2Å; Y976-F993 AromaticContact CD1-CZ 3.77Å; Y976-F993 HydrophobicContact CD1-CZ 3.77Å; Y976-F993 AromaticContact CD2-CE1 3.89Å; Y976-F993 HydrophobicContact CD2-CE1 3.89Å; Y976-F993 HydrophobicContact CD2-CZ 4.26Å; Y976-F993 HydrophobicContact CE1-CZ 4.27Å; Y976-F993 HydrophobicContact CE2-CE1 4.5Å; Y976-F993 AromaticContact CG-CE1 3.69Å; Y976-F993 HydrophobicContact CG-CE1 3.69Å; Y976-F993 AromaticContact CG-CZ 3.74Å; Y976-F993 HydrophobicContact CG-CZ 3.74Å; Y976-F994 AromaticContact CD2-CE1 3.62Å; Y976-F994 HydrophobicContact CD2-CE1 3.62Å; Y976-F994 HydrophobicContact CD2-CZ 4.07Å; Y976-F994 HydrophobicContact CE2-CE1 4.08Å; Y976-M997 HydrophobicContact CE1-CE 4.06Å; Y976-M997 WeakPolarHBondContact OH-CE 3.46Å; Y976-H1001 AromaticContact CE2-CE1 3.95Å; Y976-H1001 AromaticContact CE2-ND1 3.64Å; Y976-H1001 AromaticContact CZ-ND1 3.91Å; Y976-H1001 PolarHBondContact OH-ND1 3.39Å
977	R	93.4	Very high	92.7	Very high	45 Å²	45	40 Å²	40	17%	0.17	20%	0.203	C	C	.	.	H	α-helix	trans	-50.4	-53.4	-176.4	178.2	-166.7	-172.8	-83.3	-9.4	112.9	D910 E912 V973 T974 I979 I980 I981	D910-R977 IonicContact OD1-CZ 2.88Å; D910-R977 IonicContact OD1-NE 3.5Å; D910-R977 PolarHBondContact OD1-NE 2.74Å; D910-R977 IonicContact OD1-NH2 3.81Å; D910-R977 PolarHBondContact OD1-NH2 3.46Å; D910-R977 VanDerWaalsContact OD2-CD 3.24Å; D910-R977 WeakPolarHBondContact OD2-CD 3.48Å; D910-R977 IonicContact OD2-CZ 3.97Å; D910-R977 IonicContact OD2-NE 2.75Å; D910-R977 PolarHBondContact OD2-NE 3.03Å; D910-R977 IonicContact OD2-NH2 2.63Å; E912-R977 IonicContact OE2-CZ 3.64Å; E912-R977 IonicContact OE2-NH1 2.92Å; E912-R977 IonicContact OE2-NH2 3.15Å; E912-R977 PolarHBondContact OE2-NH2 2.95Å; V973-R977 PolarHBondContact O-N 3.17Å; V973-R977 VanDerWaalsContact O-N 3.11Å; T974-R977 WeakPolarHBondContact O-CB 3.4Å; T974-R977 PolarHBondContact O-N 3.31Å; R977-I979 VanDerWaalsContact C-N 3.28Å; R977-I979 PolarHBondContact O-N 3.41Å; R977-I980 PolarHBondContact O-N 3.39Å; R977-I980 VanDerWaalsContact O-N 3.14Å; R977-I981 HydrophobicContact CG-CD1 3.79Å; R977-I981 VanDerWaalsContact CZ-CD1 3.4Å; R977-I981 WeakPolarHBondContact O-CG1 3.49Å; R977-I981 PolarHBondContact O-N 3.05Å
978	E	94.2	Very high	92.2	Very high	104 Å²	104	44.5 Å²	44.5	49%	0.486	23%	0.231	S	C	.	.	H	α-helix	trans	-61.2	-39.5	-176.5	-56.6	-55.3	123.3	0	0	111	Y976 I980 I981 D982	Y976-E978 PolarHBondContact O-N 2.98Å; E978-I980 PolarHBondContact O-N 3.05Å; E978-I981 PolarHBondContact O-N 3.44Å; E978-D982 WeakPolarHBondContact O-CB 3.49Å; E978-D982 PolarHBondContact O-N 3.48Å
979	I	93.9	Very high	91.9	Very high	68 Å²	68	48 Å²	48	35%	0.349	25%	0.249	S	C	.	.	H	α-helix	trans	-63.5	-43.2	176.9	-58.2	179.5	0	0	0	110.9	Y976 R977 N983 M985 F993	Y976-I979 HydrophobicContact CD1-CD1 4.06Å; Y976-I979 WeakPolarHBondContact O-CB 3.11Å; Y976-I979 PolarHBondContact O-N 3.43Å; Y976-I979 VanDerWaalsContact O-N 3.14Å; R977-I979 VanDerWaalsContact C-N 3.28Å; R977-I979 PolarHBondContact O-N 3.41Å; I979-N983 WeakPolarHBondContact O-CB 3.34Å; I979-N983 PolarHBondContact O-N 3.19Å; I979-N983 PolarHBondContact O-ND2 3.19Å; I979-M985 HydrophobicContact CG2-CE 3.7Å; I979-F993 HydrophobicContact CD1-CZ 4.48Å; I979-F993 HydrophobicContact CG2-CE2 4.3Å
980	I	91.3	Very high	91.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63.9	-44.6	179.7	-65.7	166.5	0	0	0	110.4	L913 L916 V973 Y976 R977 E978 N984 M985 I990 F994	L913-I980 HydrophobicContact CD1-CB 4.41Å; L913-I980 HydrophobicContact CD1-CG2 3.78Å; L916-I980 HydrophobicContact CD2-CG2 4.03Å; V973-I980 HydrophobicContact CG1-CD1 4.45Å; Y976-I980 WeakPolarHBondContact O-CG1 3.5Å; Y976-I980 PolarHBondContact O-N 3Å; R977-I980 PolarHBondContact O-N 3.39Å; R977-I980 VanDerWaalsContact O-N 3.14Å; E978-I980 PolarHBondContact O-N 3.05Å; I980-N984 PolarHBondContact O-N 3.36Å; I980-M985 HydrophobicContact CG1-SD 4.19Å; I980-M985 HydrophobicContact CG2-CB 4.29Å; I980-M985 PolarHBondContact O-N 3.14Å; I980-I990 HydrophobicContact CG2-CD1 4.01Å; I980-I990 HydrophobicContact CG2-CG1 4.24Å; I980-F994 HydrophobicContact CD1-CE2 4.38Å
981	I	90.9	Very high	91.3	Very high	33 Å²	33	50 Å²	50	17%	0.169	26%	0.259	C	S	.	.	H	α-helix	trans	-72.4	-50.1	-178	-65.6	174.7	0	0	0	111.6	E912 L913 L916 R977 E978 N983 N984	E912-I981 HydrophobicContact CG-CD1 4.24Å; L913-I981 HydrophobicContact CD1-CG1 4.2Å; L916-I981 HydrophobicContact CD2-CB 4.43Å; L916-I981 HydrophobicContact CD2-CG1 3.96Å; R977-I981 HydrophobicContact CG-CD1 3.79Å; R977-I981 VanDerWaalsContact CZ-CD1 3.4Å; R977-I981 WeakPolarHBondContact O-CG1 3.49Å; R977-I981 PolarHBondContact O-N 3.05Å; E978-I981 PolarHBondContact O-N 3.44Å; I981-N983 PolarHBondContact O-N 3.05Å; I981-N984 PolarHBondContact O-N 3.1Å
982	D	94.2	Very high	91.1	Very high	126 Å²	126	55.9 Å²	55.9	67%	0.674	29%	0.285	S	S	*	.	H	α-helix	trans	-61.2	-33.8	-176.2	-73.8	-17.7	0	0	0	112.4	E978	E978-D982 WeakPolarHBondContact O-CB 3.49Å; E978-D982 PolarHBondContact O-N 3.48Å
983	N	92	Very high	91	Very high	105 Å²	105	57 Å²	57	56%	0.561	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-0.2	177.6	-65.4	-81	0	0	0	113.1	I979 I981 M985	I979-N983 WeakPolarHBondContact O-CB 3.34Å; I979-N983 PolarHBondContact O-N 3.19Å; I979-N983 PolarHBondContact O-ND2 3.19Å; I981-N983 PolarHBondContact O-N 3.05Å; N983-M985 HydrophobicContact CB-CE 4.02Å; N983-M985 HydrophobicContact CB-CG 3.86Å; N983-M985 PolarHBondContact O-N 3.04Å
984	N	88.6	Confident	91	Very high	92 Å²	92	57.1 Å²	57.1	49%	0.492	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	45.3	-175.8	-173.8	63	0	0	0	111.6	L916 I980 I981 D986	L916-N984 WeakPolarHBondContact CD1-OD1 3.47Å; I980-N984 PolarHBondContact O-N 3.36Å; I981-N984 PolarHBondContact O-N 3.1Å; N984-D986 PolarHBondContact O-N 3.29Å
985	M	89.1	Confident	91	Very high	27 Å²	27	57.6 Å²	57.6	13%	0.133	29%	0.291	C	S	.	.			trans	-62.3	131	-172.3	-67.5	-174.3	171.5	0	0	110.5	I979 I980 N983 D989 I990 F993	I979-M985 HydrophobicContact CG2-CE 3.7Å; I980-M985 HydrophobicContact CG1-SD 4.19Å; I980-M985 HydrophobicContact CG2-CB 4.29Å; I980-M985 PolarHBondContact O-N 3.14Å; N983-M985 HydrophobicContact CB-CE 4.02Å; N983-M985 HydrophobicContact CB-CG 3.86Å; N983-M985 PolarHBondContact O-N 3.04Å; M985-D989 HydrophobicContact CB-CB 3.87Å; M985-D989 HydrophobicContact CG-CB 4.18Å; M985-I990 HydrophobicContact CB-CG1 3.93Å; M985-F993 HydrophobicContact CE-CD2 4.3Å; M985-F993 HydrophobicContact SD-CB 4.42Å; M985-F993 HydrophobicContact SD-CG 4.49Å
986	D	84.6	Confident	91	Very high	62 Å²	62	60.8 Å²	60.8	33%	0.332	31%	0.305	S	S	.	.			trans	-80.3	178.9	170.1	78.3	20.6	0	0	0	111.4	N920 N984 T988 D989 I990	N920-D986 HydrophobicContact CB-CB 4.21Å; N984-D986 PolarHBondContact O-N 3.29Å; D986-T988 VanDerWaalsContact C-N 3.28Å; D986-T988 PolarHBondContact O-N 3.36Å; D986-T988 WeakPolarHBondContact OD1-CA 3.47Å; D986-T988 WeakPolarHBondContact OD1-CB 3.2Å; D986-T988 PolarHBondContact OD1-N 3.11Å; D986-D989 PolarHBondContact N-OD2 3.43Å; D986-D989 PolarHBondContact O-N 3.2Å; D986-D989 PolarHBondContact OD1-N 3.2Å; D986-I990 VanDerWaalsContact O-CG1 3.24Å; D986-I990 WeakPolarHBondContact O-CG1 3.41Å; D986-I990 PolarHBondContact O-N 2.82Å
987	F	82.8	Confident	91	Very high	48 Å²	48	61.5 Å²	61.5	21%	0.211	31%	0.309	C	S	.	.	H	α-helix	trans	-61.8	-35.2	-179	176.1	-96.6	0	0	0	113.4	T924 F928 I991	T924-F987 WeakPolarHBondContact O-CE2 3.39Å; F928-F987 HydrophobicContact CB-CE2 4.3Å; F928-F987 HydrophobicContact CD1-CD2 4.01Å; F928-F987 AromaticContact CD1-CE2 3.67Å; F928-F987 HydrophobicContact CD1-CE2 3.67Å; F928-F987 HydrophobicContact CG-CE2 4.48Å; F987-I991 HydrophobicContact CD1-CD1 3.81Å; F987-I991 HydrophobicContact CE1-CD1 3.17Å; F987-I991 HydrophobicContact CE1-CG1 4.18Å; F987-I991 HydrophobicContact CE2-CD1 4.38Å; F987-I991 HydrophobicContact CZ-CD1 3.49Å; F987-I991 VanDerWaalsContact CZ-CD1 3.49Å; F987-I991 HydrophobicContact CZ-CG1 4.19Å; F987-I991 WeakPolarHBondContact O-CG1 2.99Å; F987-I991 PolarHBondContact O-N 2.92Å; F987-I991 VanDerWaalsContact O-N 3.12Å
988	T	86.2	Confident	91	Very high	94 Å²	94	60.5 Å²	60.5	58%	0.577	31%	0.31	S	S	*	.	H	α-helix	trans	-71.4	-41.3	178.6	-66.3	0	0	0	0	110.6	D986 I990 I991 K992	D986-T988 VanDerWaalsContact C-N 3.28Å; D986-T988 PolarHBondContact O-N 3.36Å; D986-T988 WeakPolarHBondContact OD1-CA 3.47Å; D986-T988 WeakPolarHBondContact OD1-CB 3.2Å; D986-T988 PolarHBondContact OD1-N 3.11Å; T988-I990 VanDerWaalsContact C-N 3.35Å; T988-I991 PolarHBondContact O-N 2.78Å; T988-K992 WeakPolarHBondContact O-CB 3.47Å; T988-K992 PolarHBondContact O-N 2.83Å
989	D	90.1	Very high	91	Very high	75 Å²	75	60.7 Å²	60.7	40%	0.401	31%	0.311	S	S	.	.	H	α-helix	trans	-61.4	-43.5	174.6	-66.1	-34.4	0	0	0	111.3	M985 D986 I991 K992 F993	M985-D989 HydrophobicContact CB-CB 3.87Å; M985-D989 HydrophobicContact CG-CB 4.18Å; D986-D989 PolarHBondContact N-OD2 3.43Å; D986-D989 PolarHBondContact O-N 3.2Å; D986-D989 PolarHBondContact OD1-N 3.2Å; D989-I991 PolarHBondContact O-N 3.33Å; D989-K992 PolarHBondContact O-N 3.41Å; D989-F993 VanDerWaalsContact O-CB 3.27Å; D989-F993 WeakPolarHBondContact O-CB 3.41Å; D989-F993 PolarHBondContact O-N 2.89Å
990	I	89.6	Confident	91	Very high	3 Å²	3	66.3 Å²	66.3	2%	0.015	33%	0.328	C	S	.	.	H	α-helix	trans	-61	-45.2	176.8	-69.1	167.7	0	0	0	111.2	M917 F928 I980 M985 D986 T988 K992 F993 F994	M917-I990 HydrophobicContact CE-CD1 4.02Å; F928-I990 HydrophobicContact CD1-CG2 3.95Å; F928-I990 HydrophobicContact CD2-CG2 3.97Å; F928-I990 HydrophobicContact CE1-CG2 4.13Å; F928-I990 HydrophobicContact CE2-CG2 4.1Å; F928-I990 HydrophobicContact CG-CG2 3.9Å; F928-I990 HydrophobicContact CZ-CG2 4.21Å; I980-I990 HydrophobicContact CG2-CD1 4.01Å; I980-I990 HydrophobicContact CG2-CG1 4.24Å; M985-I990 HydrophobicContact CB-CG1 3.93Å; D986-I990 VanDerWaalsContact O-CG1 3.24Å; D986-I990 WeakPolarHBondContact O-CG1 3.41Å; D986-I990 PolarHBondContact O-N 2.82Å; T988-I990 VanDerWaalsContact C-N 3.35Å; I990-K992 VanDerWaalsContact C-N 3.34Å; I990-K992 PolarHBondContact O-N 3.08Å; I990-F993 PolarHBondContact O-N 3.31Å; I990-F994 HydrophobicContact CG2-CD2 3.72Å; I990-F994 HydrophobicContact CG2-CE2 3.82Å; I990-F994 WeakPolarHBondContact O-CD2 3.44Å; I990-F994 PolarHBondContact O-N 2.92Å
991	I	89.6	Confident	91.2	Very high	41 Å²	41	67 Å²	67	21%	0.21	33%	0.331	C	S	.	.	H	α-helix	trans	-57.7	-51.1	175.3	-72.7	169.8	0	0	0	109.9	F676 F928 F987 T988 D989 F993 F994 N995	F676-I991 HydrophobicContact CE1-CG2 4.02Å; F676-I991 HydrophobicContact CZ-CG2 4.18Å; F928-I991 HydrophobicContact CB-CB 4.48Å; F928-I991 HydrophobicContact CB-CD1 4.36Å; F928-I991 HydrophobicContact CB-CG1 3.41Å; F928-I991 VanDerWaalsContact CB-CG1 3.41Å; F987-I991 HydrophobicContact CD1-CD1 3.81Å; F987-I991 HydrophobicContact CE1-CD1 3.17Å; F987-I991 HydrophobicContact CE1-CG1 4.18Å; F987-I991 HydrophobicContact CE2-CD1 4.38Å; F987-I991 HydrophobicContact CZ-CD1 3.49Å; F987-I991 VanDerWaalsContact CZ-CD1 3.49Å; F987-I991 HydrophobicContact CZ-CG1 4.19Å; F987-I991 WeakPolarHBondContact O-CG1 2.99Å; F987-I991 PolarHBondContact O-N 2.92Å; F987-I991 VanDerWaalsContact O-N 3.12Å; T988-I991 PolarHBondContact O-N 2.78Å; D989-I991 PolarHBondContact O-N 3.33Å; I991-F993 PolarHBondContact O-N 2.8Å; I991-F994 PolarHBondContact O-N 3.02Å; I991-N995 VanDerWaalsContact CG2-ND2 3.26Å; I991-N995 WeakPolarHBondContact CG2-ND2 3.47Å; I991-N995 VanDerWaalsContact O-CG 3.24Å; I991-N995 PolarHBondContact O-N 3.01Å; I991-N995 PolarHBondContact O-ND2 3.1Å
992	K	91.9	Very high	91.4	Very high	124 Å²	124	69.5 Å²	69.5	54%	0.539	35%	0.345	S	S	.	.	H	α-helix	trans	-59.8	-48.4	-177.4	-176.7	178.6	171.7	-175.2	0	111	T988 D989 I990 F994 N995 E996	T988-K992 WeakPolarHBondContact O-CB 3.47Å; T988-K992 PolarHBondContact O-N 2.83Å; D989-K992 PolarHBondContact O-N 3.41Å; I990-K992 VanDerWaalsContact C-N 3.34Å; I990-K992 PolarHBondContact O-N 3.08Å; K992-F994 PolarHBondContact O-N 3.37Å; K992-N995 PolarHBondContact O-N 2.9Å; K992-E996 WeakPolarHBondContact CE-OE1 3.44Å; K992-E996 WeakPolarHBondContact CG-OE1 3.38Å; K992-E996 IonicContact NZ-OE1 3.64Å; K992-E996 WeakPolarHBondContact O-CG 3.47Å; K992-E996 PolarHBondContact O-N 2.88Å
993	F	94	Very high	91.5	Very high	30 Å²	30	63.7 Å²	63.7	13%	0.132	31%	0.314	C	S	.	.	H	α-helix	trans	-54.4	-51.7	177.7	172.9	-100.5	0	0	0	112	Y976 I979 M985 D989 I990 I991 N995 E996 M997	Y976-F993 HydrophobicContact CD1-CE1 4.2Å; Y976-F993 AromaticContact CD1-CZ 3.77Å; Y976-F993 HydrophobicContact CD1-CZ 3.77Å; Y976-F993 AromaticContact CD2-CE1 3.89Å; Y976-F993 HydrophobicContact CD2-CE1 3.89Å; Y976-F993 HydrophobicContact CD2-CZ 4.26Å; Y976-F993 HydrophobicContact CE1-CZ 4.27Å; Y976-F993 HydrophobicContact CE2-CE1 4.5Å; Y976-F993 AromaticContact CG-CE1 3.69Å; Y976-F993 HydrophobicContact CG-CE1 3.69Å; Y976-F993 AromaticContact CG-CZ 3.74Å; Y976-F993 HydrophobicContact CG-CZ 3.74Å; I979-F993 HydrophobicContact CD1-CZ 4.48Å; I979-F993 HydrophobicContact CG2-CE2 4.3Å; M985-F993 HydrophobicContact CE-CD2 4.3Å; M985-F993 HydrophobicContact SD-CB 4.42Å; M985-F993 HydrophobicContact SD-CG 4.49Å; D989-F993 VanDerWaalsContact O-CB 3.27Å; D989-F993 WeakPolarHBondContact O-CB 3.41Å; D989-F993 PolarHBondContact O-N 2.89Å; I990-F993 PolarHBondContact O-N 3.31Å; I991-F993 PolarHBondContact O-N 2.8Å; F993-N995 PolarHBondContact O-N 2.86Å; F993-E996 PolarHBondContact O-N 3.41Å; F993-M997 HydrophobicContact CD2-CG 4.3Å; F993-M997 HydrophobicContact CE1-CG 4.16Å; F993-M997 HydrophobicContact CE2-CG 3.89Å; F993-M997 HydrophobicContact CZ-CG 3.82Å; F993-M997 WeakPolarHBondContact O-CB 3.26Å; F993-M997 VanDerWaalsContact O-CG 3.32Å; F993-M997 WeakPolarHBondContact O-CG 3.24Å; F993-M997 PolarHBondContact O-N 2.82Å
994	F	93.6	Very high	91.6	Very high	4 Å²	4	63.7 Å²	63.7	2%	0.018	31%	0.311	C	S	.	.	H	α-helix	trans	-68.7	-32.5	-178.8	-81.2	-64.8	0	0	0	113.4	F928 W932 L972 V973 Y976 I980 I990 I991 K992 M997 A998	F928-F994 HydrophobicContact CD2-CD2 4.27Å; F928-F994 HydrophobicContact CE2-CD2 4.49Å; F928-F994 HydrophobicContact CE2-CE2 4.33Å; W932-F994 AromaticContact CH2-CD1 3.97Å; W932-F994 HydrophobicContact CH2-CD1 3.97Å; W932-F994 AromaticContact CH2-CD2 3.97Å; W932-F994 HydrophobicContact CH2-CD2 3.97Å; W932-F994 AromaticContact CH2-CE1 3.96Å; W932-F994 HydrophobicContact CH2-CE1 3.96Å; W932-F994 AromaticContact CH2-CE2 3.97Å; W932-F994 HydrophobicContact CH2-CE2 3.97Å; W932-F994 AromaticContact CH2-CG 3.99Å; W932-F994 HydrophobicContact CH2-CG 3.99Å; W932-F994 AromaticContact CH2-CZ 3.97Å; W932-F994 HydrophobicContact CH2-CZ 3.97Å; W932-F994 HydrophobicContact CZ2-CB 3.92Å; W932-F994 AromaticContact CZ2-CD1 3.64Å; W932-F994 HydrophobicContact CZ2-CD1 3.64Å; W932-F994 AromaticContact CZ2-CD2 3.93Å; W932-F994 HydrophobicContact CZ2-CD2 3.93Å; W932-F994 HydrophobicContact CZ2-CE1 4.12Å; W932-F994 HydrophobicContact CZ2-CE2 4.37Å; W932-F994 AromaticContact CZ2-CG 3.55Å; W932-F994 HydrophobicContact CZ2-CG 3.55Å; W932-F994 HydrophobicContact CZ2-CZ 4.47Å; L972-F994 HydrophobicContact CD1-CE1 4.2Å; L972-F994 HydrophobicContact CD2-CD1 4.38Å; L972-F994 HydrophobicContact CD2-CE1 4.21Å; L972-F994 HydrophobicContact CG-CD1 4.35Å; L972-F994 HydrophobicContact CG-CE1 3.73Å; L972-F994 HydrophobicContact CG-CZ 4.45Å; V973-F994 HydrophobicContact CG2-CZ 4.41Å; Y976-F994 AromaticContact CD2-CE1 3.62Å; Y976-F994 HydrophobicContact CD2-CE1 3.62Å; Y976-F994 HydrophobicContact CD2-CZ 4.07Å; Y976-F994 HydrophobicContact CE2-CE1 4.08Å; I980-F994 HydrophobicContact CD1-CE2 4.38Å; I990-F994 HydrophobicContact CG2-CD2 3.72Å; I990-F994 HydrophobicContact CG2-CE2 3.82Å; I990-F994 WeakPolarHBondContact O-CD2 3.44Å; I990-F994 PolarHBondContact O-N 2.92Å; I991-F994 PolarHBondContact O-N 3.02Å; K992-F994 PolarHBondContact O-N 3.37Å; F994-M997 PolarHBondContact O-N 3.43Å; F994-A998 PolarHBondContact O-N 3.46Å; F994-A998 VanDerWaalsContact O-N 3.13Å
995	N	92.2	Very high	91.9	Very high	52 Å²	52	61.6 Å²	61.6	28%	0.278	30%	0.299	S	S	.	.	H	α-helix	trans	-66.4	-39.3	172.9	-67	-44.8	0	0	0	112.5	F676 R931 I991 K992 F993 M997 A998	F676-N995 WeakPolarHBondContact CE1-ND2 3.34Å; R931-N995 PolarHBondContact NH1-OD1 2.99Å; R931-N995 PolarHBondContact NH2-OD1 2.95Å; I991-N995 VanDerWaalsContact CG2-ND2 3.26Å; I991-N995 WeakPolarHBondContact CG2-ND2 3.47Å; I991-N995 VanDerWaalsContact O-CG 3.24Å; I991-N995 PolarHBondContact O-N 3.01Å; I991-N995 PolarHBondContact O-ND2 3.1Å; K992-N995 PolarHBondContact O-N 2.9Å; F993-N995 PolarHBondContact O-N 2.86Å; N995-M997 VanDerWaalsContact C-N 3.27Å; N995-A998 WeakPolarHBondContact O-CB 3.46Å; N995-A998 PolarHBondContact O-N 3.45Å
996	E	94.6	Very high	92.3	Very high	117 Å²	117	60.9 Å²	60.9	55%	0.547	30%	0.296	S	S	.	.	H	α-helix	trans	-69.8	-27.2	176.6	-71.4	175.4	-177.1	0	0	112.1	K992 F993	K992-E996 WeakPolarHBondContact CE-OE1 3.44Å; K992-E996 WeakPolarHBondContact CG-OE1 3.38Å; K992-E996 IonicContact NZ-OE1 3.64Å; K992-E996 WeakPolarHBondContact O-CG 3.47Å; K992-E996 PolarHBondContact O-N 2.88Å; F993-E996 PolarHBondContact O-N 3.41Å
997	M	94.1	Very high	92.9	Very high	42 Å²	42	58.1 Å²	58.1	21%	0.207	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-4.4	176.9	-72.4	-60.4	-63.9	0	0	114.4	Y976 F993 F994 N995 E999 R1000 H1001	Y976-M997 HydrophobicContact CE1-CE 4.06Å; Y976-M997 WeakPolarHBondContact OH-CE 3.46Å; F993-M997 HydrophobicContact CD2-CG 4.3Å; F993-M997 HydrophobicContact CE1-CG 4.16Å; F993-M997 HydrophobicContact CE2-CG 3.89Å; F993-M997 HydrophobicContact CZ-CG 3.82Å; F993-M997 WeakPolarHBondContact O-CB 3.26Å; F993-M997 VanDerWaalsContact O-CG 3.32Å; F993-M997 WeakPolarHBondContact O-CG 3.24Å; F993-M997 PolarHBondContact O-N 2.82Å; F994-M997 PolarHBondContact O-N 3.43Å; N995-M997 VanDerWaalsContact C-N 3.27Å; M997-E999 PolarHBondContact O-N 3.45Å; M997-R1000 HydrophobicContact CE-CB 4.16Å; M997-R1000 WeakPolarHBondContact O-CB 3.45Å; M997-R1000 PolarHBondContact O-N 3.03Å; M997-H1001 PolarHBondContact O-CE1 3.42Å; M997-H1001 PolarHBondContact O-NE2 2.92Å
998	A	93.4	Very high	93.5	Very high	23 Å²	23	62.1 Å²	62.1	19%	0.19	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	136.9	177	0	0	0	0	0	110.6	F994 N995 R1000	F994-A998 PolarHBondContact O-N 3.46Å; F994-A998 VanDerWaalsContact O-N 3.13Å; N995-A998 WeakPolarHBondContact O-CB 3.46Å; N995-A998 PolarHBondContact O-N 3.45Å; A998-R1000 PolarHBondContact O-N 3.49Å
999	E	94.5	Very high	94	Very high	108 Å²	108	59.2 Å²	59.2	51%	0.505	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	6.7	-177.1	-53.7	-178.7	172.6	0	0	115.3	E940 L942 M997	E940-E999 WeakPolarHBondContact O-CA 3.26Å; E940-E999 PolarHBondContact O-N 3.01Å; L942-E999 HydrophobicContact CD2-CB 3.91Å; L942-E999 HydrophobicContact CD2-CG 4.19Å; L942-E999 HydrophobicContact CG-CB 4.12Å; M997-E999 PolarHBondContact O-N 3.45Å
1000	R	94.8	Very high	94.4	Very high	187 Å²	187	55.6 Å²	55.6	71%	0.706	26%	0.256	S	S	*	.			trans	-113	12.4	-179.8	-55.7	-178.8	-172.7	-158.7	1.7	113.9	M997 A998	M997-R1000 HydrophobicContact CE-CB 4.16Å; M997-R1000 WeakPolarHBondContact O-CB 3.45Å; M997-R1000 PolarHBondContact O-N 3.03Å; A998-R1000 PolarHBondContact O-N 3.49Å
1001	H	94.8	Very high	94.7	Very high	14 Å²	14	57.3 Å²	57.3	7%	0.065	26%	0.262	C	S	.	.			trans	-83.7	138.5	-175.7	-61.8	-55.6	0	0	0	112.5	E940 L941 Y976 M997 V1003 I1006	E940-H1001 PolarHBondContact O-CD2 3.1Å; E940-H1001 VanDerWaalsContact O-CD2 3.27Å; L941-H1001 HydrophobicContact CD2-CB 4.22Å; Y976-H1001 AromaticContact CE2-CE1 3.95Å; Y976-H1001 AromaticContact CE2-ND1 3.64Å; Y976-H1001 AromaticContact CZ-ND1 3.91Å; Y976-H1001 PolarHBondContact OH-ND1 3.39Å; M997-H1001 PolarHBondContact O-CE1 3.42Å; M997-H1001 PolarHBondContact O-NE2 2.92Å; H1001-V1003 PolarHBondContact O-N 3.25Å; H1001-V1003 VanDerWaalsContact O-N 3.1Å; H1001-I1006 HydrophobicContact CB-CD1 3.67Å
1002	D	95	Very high	94.9	Very high	86 Å²	86	60.9 Å²	60.9	46%	0.46	28%	0.278	S	S	.	.			trans	-77.4	94.4	167.8	-176.8	-18.1	0	0	0	109.9	Q1004 L1005 I1006	D1002-Q1004 VanDerWaalsContact C-N 3.33Å; D1002-Q1004 PolarHBondContact O-N 2.99Å; D1002-Q1004 PolarHBondContact OD1-N 2.86Å; D1002-Q1004 VanDerWaalsContact OD1-N 3.14Å; D1002-L1005 HydrophobicContact CB-CB 4Å; D1002-L1005 VanDerWaalsContact CG-CB 3.48Å; D1002-L1005 PolarHBondContact O-N 3.11Å; D1002-L1005 PolarHBondContact OD1-N 2.91Å; D1002-I1006 WeakPolarHBondContact O-CD1 3.29Å; D1002-I1006 VanDerWaalsContact O-CG1 3.28Å; D1002-I1006 WeakPolarHBondContact O-CG1 3.29Å; D1002-I1006 PolarHBondContact O-N 3.19Å
1003	V	95.6	Very high	95	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.018	26%	0.257	C	S	.	.	H	α-helix	trans	-67.3	-32.5	-175.8	171.5	0	0	0	0	113.1	L941 D945 V949 H1001 L1005 I1006 L1007	L941-V1003 HydrophobicContact CD1-CG2 4.36Å; L941-V1003 HydrophobicContact CD2-CG2 3.41Å; L941-V1003 VanDerWaalsContact CD2-CG2 3.41Å; L941-V1003 HydrophobicContact CG-CG2 4.4Å; D945-V1003 HydrophobicContact CB-CB 4.03Å; D945-V1003 HydrophobicContact CB-CG1 4.14Å; D945-V1003 HydrophobicContact CB-CG2 3.5Å; V949-V1003 HydrophobicContact CG2-CG1 3.43Å; V949-V1003 VanDerWaalsContact CG2-CG1 3.43Å; H1001-V1003 PolarHBondContact O-N 3.25Å; H1001-V1003 VanDerWaalsContact O-N 3.1Å; V1003-L1005 VanDerWaalsContact C-N 3.34Å; V1003-I1006 PolarHBondContact O-N 3.46Å; V1003-L1007 HydrophobicContact CG1-CD1 3.89Å; V1003-L1007 HydrophobicContact CG1-CG 4.26Å; V1003-L1007 WeakPolarHBondContact O-CB 3.39Å; V1003-L1007 WeakPolarHBondContact O-CG 3.19Å; V1003-L1007 PolarHBondContact O-N 2.93Å
1004	Q	94.1	Very high	95	Very high	105 Å²	105	54.5 Å²	54.5	49%	0.491	25%	0.251	S	S	.	.	H	α-helix	trans	-68.1	-39.5	178.4	-64.7	-57.4	-35.8	0	0	110.8	D1002 R1008	D1002-Q1004 VanDerWaalsContact C-N 3.33Å; D1002-Q1004 PolarHBondContact O-N 2.99Å; D1002-Q1004 PolarHBondContact OD1-N 2.86Å; D1002-Q1004 VanDerWaalsContact OD1-N 3.14Å; Q1004-R1008 WeakPolarHBondContact O-CB 3.38Å; Q1004-R1008 PolarHBondContact O-N 3.2Å; Q1004-R1008 VanDerWaalsContact O-N 3.11Å
1005	L	96.3	Very high	94.9	Very high	49 Å²	49	58.7 Å²	58.7	26%	0.257	27%	0.271	S	S	.	.	H	α-helix	trans	-65.4	-46.3	172.2	-177.7	58.5	0	0	0	111.5	L975 D1002 V1003 L1007 R1008 M1009	L975-L1005 HydrophobicContact CD1-CD2 3.5Å; L975-L1005 HydrophobicContact CD1-CG 4.23Å; D1002-L1005 HydrophobicContact CB-CB 4Å; D1002-L1005 VanDerWaalsContact CG-CB 3.48Å; D1002-L1005 PolarHBondContact O-N 3.11Å; D1002-L1005 PolarHBondContact OD1-N 2.91Å; V1003-L1005 VanDerWaalsContact C-N 3.34Å; L1005-L1007 PolarHBondContact O-N 3.5Å; L1005-R1008 WeakPolarHBondContact O-CB 3.49Å; L1005-R1008 PolarHBondContact O-N 2.86Å; L1005-R1008 VanDerWaalsContact O-N 3.16Å; L1005-M1009 HydrophobicContact CD1-CG 4.21Å; L1005-M1009 HydrophobicContact CD1-SD 4.24Å; L1005-M1009 HydrophobicContact CG-CG 4.46Å; L1005-M1009 HydrophobicContact CG-SD 4.04Å; L1005-M1009 WeakPolarHBondContact O-CG 3.24Å; L1005-M1009 PolarHBondContact O-N 2.97Å
1006	I	97.3	Very high	94.7	Very high	11 Å²	11	61.2 Å²	61.2	6%	0.056	28%	0.279	C	S	.	.	H	α-helix	trans	-59.5	-45.3	178.6	-69.9	160.3	0	0	0	111.4	L968 A971 L972 L975 H1001 D1002 V1003 R1008 M1009 A1010	L968-I1006 HydrophobicContact CD2-CG2 4.02Å; A971-I1006 HydrophobicContact CB-CG2 4.1Å; L972-I1006 HydrophobicContact CD1-CD1 3.61Å; L972-I1006 HydrophobicContact CD1-CG1 4.35Å; L975-I1006 HydrophobicContact CD2-CD1 4.36Å; L975-I1006 HydrophobicContact CD2-CG1 3.97Å; H1001-I1006 HydrophobicContact CB-CD1 3.67Å; D1002-I1006 WeakPolarHBondContact O-CD1 3.29Å; D1002-I1006 VanDerWaalsContact O-CG1 3.28Å; D1002-I1006 WeakPolarHBondContact O-CG1 3.29Å; D1002-I1006 PolarHBondContact O-N 3.19Å; V1003-I1006 PolarHBondContact O-N 3.46Å; I1006-R1008 VanDerWaalsContact C-N 3.32Å; I1006-R1008 PolarHBondContact O-N 3.11Å; I1006-M1009 PolarHBondContact O-N 2.96Å; I1006-A1010 VanDerWaalsContact O-CB 3.29Å; I1006-A1010 WeakPolarHBondContact O-CB 3.26Å; I1006-A1010 PolarHBondContact O-N 3.28Å
1007	L	96.9	Very high	94.4	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-62.8	-39.2	177.4	-77	170	0	0	0	111.8	V949 V952 F964 L968 V1003 L1005 R1011	V949-L1007 HydrophobicContact CG2-CD1 4.33Å; V949-L1007 HydrophobicContact CG2-CD2 4.31Å; V949-L1007 HydrophobicContact CG2-CG 4.35Å; V952-L1007 HydrophobicContact CB-CD2 4.05Å; V952-L1007 HydrophobicContact CG1-CD2 4.09Å; V952-L1007 HydrophobicContact CG2-CD2 4.06Å; F964-L1007 HydrophobicContact CE1-CD2 4.31Å; L968-L1007 HydrophobicContact CD2-CD2 3.82Å; V1003-L1007 HydrophobicContact CG1-CD1 3.89Å; V1003-L1007 HydrophobicContact CG1-CG 4.26Å; V1003-L1007 WeakPolarHBondContact O-CB 3.39Å; V1003-L1007 WeakPolarHBondContact O-CG 3.19Å; V1003-L1007 PolarHBondContact O-N 2.93Å; L1005-L1007 PolarHBondContact O-N 3.5Å; L1007-R1011 WeakPolarHBondContact O-CG 3.41Å; L1007-R1011 PolarHBondContact O-N 3.49Å; L1007-R1011 VanDerWaalsContact O-N 3.14Å; L1007-R1011 PolarHBondContact O-NE 3.14Å
1008	R	95.8	Very high	94.1	Very high	132 Å²	132	54.2 Å²	54.2	50%	0.498	25%	0.246	S	C	.	.	H	α-helix	trans	-63.7	-51	175.3	-168.4	-171.1	-54.5	143.5	7.4	111.1	Q1004 L1005 I1006 A1010 R1011 E1012	Q1004-R1008 WeakPolarHBondContact O-CB 3.38Å; Q1004-R1008 PolarHBondContact O-N 3.2Å; Q1004-R1008 VanDerWaalsContact O-N 3.11Å; L1005-R1008 WeakPolarHBondContact O-CB 3.49Å; L1005-R1008 PolarHBondContact O-N 2.86Å; L1005-R1008 VanDerWaalsContact O-N 3.16Å; I1006-R1008 VanDerWaalsContact C-N 3.32Å; I1006-R1008 PolarHBondContact O-N 3.11Å; R1008-A1010 VanDerWaalsContact C-N 3.33Å; R1008-A1010 PolarHBondContact O-N 3.27Å; R1008-R1011 PolarHBondContact O-N 2.99Å; R1008-E1012 WeakPolarHBondContact O-CG 3.24Å; R1008-E1012 PolarHBondContact O-N 3.17Å
1009	M	96.9	Very high	93.6	Very high	33 Å²	33	54.9 Å²	54.9	16%	0.163	25%	0.249	C	C	.	.	H	α-helix	trans	-60.3	-41.1	177.9	-71.1	179.4	69.2	0	0	112	A971 T974 L975 L1005 I1006 R1011 E1012 L1013	A971-M1009 HydrophobicContact CB-CB 3.84Å; T974-M1009 HydrophobicContact CG2-CE 3.75Å; L975-M1009 HydrophobicContact CB-CE 4.3Å; L975-M1009 HydrophobicContact CB-SD 4.19Å; L975-M1009 HydrophobicContact CD1-SD 3.97Å; L1005-M1009 HydrophobicContact CD1-CG 4.21Å; L1005-M1009 HydrophobicContact CD1-SD 4.24Å; L1005-M1009 HydrophobicContact CG-CG 4.46Å; L1005-M1009 HydrophobicContact CG-SD 4.04Å; L1005-M1009 WeakPolarHBondContact O-CG 3.24Å; L1005-M1009 PolarHBondContact O-N 2.97Å; I1006-M1009 PolarHBondContact O-N 2.96Å; M1009-R1011 VanDerWaalsContact C-N 3.34Å; M1009-R1011 PolarHBondContact O-N 3.46Å; M1009-E1012 PolarHBondContact O-N 3.28Å; M1009-L1013 WeakPolarHBondContact O-CB 3.4Å; M1009-L1013 VanDerWaalsContact O-CG 3.28Å; M1009-L1013 WeakPolarHBondContact O-CG 3.48Å; M1009-L1013 PolarHBondContact O-N 2.86Å
1010	A	97.6	Very high	92.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.9	-42.5	176.8	0	0	0	0	0	111.7	F964 F967 L968 A971 I1006 R1008 L1013 V1014	F964-A1010 HydrophobicContact CE1-CB 4.5Å; F964-A1010 HydrophobicContact CE2-CB 4.35Å; F964-A1010 HydrophobicContact CZ-CB 3.89Å; F967-A1010 HydrophobicContact CB-CB 4.3Å; L968-A1010 HydrophobicContact CD2-CB 3.98Å; L968-A1010 HydrophobicContact CG-CB 4.42Å; A971-A1010 HydrophobicContact CB-CB 3.95Å; I1006-A1010 VanDerWaalsContact O-CB 3.29Å; I1006-A1010 WeakPolarHBondContact O-CB 3.26Å; I1006-A1010 PolarHBondContact O-N 3.28Å; R1008-A1010 VanDerWaalsContact C-N 3.33Å; R1008-A1010 PolarHBondContact O-N 3.27Å; A1010-L1013 PolarHBondContact O-N 3.11Å; A1010-V1014 WeakPolarHBondContact O-CG2 3.48Å; A1010-V1014 PolarHBondContact O-N 3.37Å
1011	R	95.8	Very high	91.9	Very high	39 Å²	39	44.8 Å²	44.8	15%	0.147	21%	0.212	C	C	.	.	H	α-helix	trans	-64.9	-41	174.7	-70.4	-174.9	-73.7	-102.3	-7.5	112.3	Y582 F964 L1007 R1008 M1009 V1014 H1015	Y582-R1011 HydrophobicContact CE1-CG 3.88Å; Y582-R1011 PolarHBondContact O-NH1 3.16Å; Y582-R1011 WeakPolarHBondContact OH-CG 3.35Å; F964-R1011 HydrophobicContact CE2-CG 4.29Å; F964-R1011 HydrophobicContact CZ-CG 4.23Å; L1007-R1011 WeakPolarHBondContact O-CG 3.41Å; L1007-R1011 PolarHBondContact O-N 3.49Å; L1007-R1011 VanDerWaalsContact O-N 3.14Å; L1007-R1011 PolarHBondContact O-NE 3.14Å; R1008-R1011 PolarHBondContact O-N 2.99Å; M1009-R1011 VanDerWaalsContact C-N 3.34Å; M1009-R1011 PolarHBondContact O-N 3.46Å; R1011-V1014 PolarHBondContact O-N 2.87Å; R1011-H1015 PolarHBondContact O-N 3Å
1012	E	94.5	Very high	90.6	Very high	115 Å²	115	48.5 Å²	48.5	54%	0.537	23%	0.232	S	C	.	.	H	α-helix	trans	-62.7	-41.2	175.3	-72.3	171.4	-169.6	0	0	111.9	R1008 M1009 H1015 K1016	R1008-E1012 WeakPolarHBondContact O-CG 3.24Å; R1008-E1012 PolarHBondContact O-N 3.17Å; M1009-E1012 PolarHBondContact O-N 3.28Å; E1012-H1015 PolarHBondContact O-N 3.34Å; E1012-K1016 WeakPolarHBondContact O-CB 3.44Å; E1012-K1016 PolarHBondContact O-N 3.14Å
1013	L	93.8	Very high	88.9	Confident	20 Å²	20	50 Å²	50	11%	0.105	24%	0.241	C	C	.	.	H	α-helix	trans	-64.3	-41.2	175.2	-70.9	165.5	0	0	0	111.8	L909 F967 L970 A971 M1009 A1010 K1016 V1017	L909-L1013 HydrophobicContact CD1-CD2 4.35Å; F967-L1013 HydrophobicContact CD1-CB 3.92Å; L970-L1013 HydrophobicContact CB-CD1 4.16Å; L970-L1013 HydrophobicContact CD2-CD1 3.93Å; L970-L1013 HydrophobicContact CD2-CD2 4.09Å; L970-L1013 HydrophobicContact CD2-CG 4.46Å; L970-L1013 HydrophobicContact CG-CD1 3.81Å; A971-L1013 HydrophobicContact CB-CD1 4.01Å; M1009-L1013 WeakPolarHBondContact O-CB 3.4Å; M1009-L1013 VanDerWaalsContact O-CG 3.28Å; M1009-L1013 WeakPolarHBondContact O-CG 3.48Å; M1009-L1013 PolarHBondContact O-N 2.86Å; A1010-L1013 PolarHBondContact O-N 3.11Å; L1013-K1016 PolarHBondContact O-N 3.16Å; L1013-V1017 WeakPolarHBondContact O-CG2 2.97Å; L1013-V1017 PolarHBondContact O-N 3.04Å
1014	V	93.6	Very high	86.7	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.006	29%	0.289	C	S	.	.	H	α-helix	trans	-59.7	-48.5	172.4	172.3	0	0	0	0	110.5	V540 F964 F967 A1010 R1011 K1016 V1017 Q1018	V540-V1014 HydrophobicContact CB-CG1 4.47Å; V540-V1014 HydrophobicContact CG1-CG1 3.94Å; F964-V1014 HydrophobicContact CD2-CG2 4.02Å; F964-V1014 HydrophobicContact CE2-CG2 4.07Å; F967-V1014 HydrophobicContact CB-CG2 3.88Å; F967-V1014 HydrophobicContact CD1-CB 4.46Å; F967-V1014 HydrophobicContact CD1-CG2 3.6Å; F967-V1014 HydrophobicContact CD2-CG2 3.59Å; F967-V1014 HydrophobicContact CE1-CG2 3.96Å; F967-V1014 HydrophobicContact CE2-CG2 3.95Å; F967-V1014 HydrophobicContact CG-CG2 3.4Å; F967-V1014 HydrophobicContact CZ-CG2 4.12Å; A1010-V1014 WeakPolarHBondContact O-CG2 3.48Å; A1010-V1014 PolarHBondContact O-N 3.37Å; R1011-V1014 PolarHBondContact O-N 2.87Å; V1014-K1016 VanDerWaalsContact C-N 3.32Å; V1014-K1016 PolarHBondContact O-N 3.44Å; V1014-V1017 PolarHBondContact O-N 2.98Å; V1014-Q1018 HydrophobicContact CG1-CG 4.35Å; V1014-Q1018 WeakPolarHBondContact O-CG 3.39Å; V1014-Q1018 PolarHBondContact O-N 3.3Å
1015	H	90.8	Very high	86.3	Confident	92 Å²	92	59.2 Å²	59.2	43%	0.426	28%	0.279	S	S	.	.	H	α-helix	trans	-61.8	-38.9	178.5	-176.9	-83.5	0	0	0	112.3	R1011 E1012 V1017 Q1018 S1019	R1011-H1015 PolarHBondContact O-N 3Å; E1012-H1015 PolarHBondContact O-N 3.34Å; H1015-V1017 VanDerWaalsContact C-N 3.34Å; H1015-V1017 PolarHBondContact O-N 3.18Å; H1015-Q1018 PolarHBondContact O-N 3.43Å; H1015-S1019 PolarHBondContact CE1-OG 2.92Å; H1015-S1019 VanDerWaalsContact CE1-OG 3.27Å; H1015-S1019 PolarHBondContact ND1-OG 3.14Å; H1015-S1019 WeakPolarHBondContact O-CB 3.43Å; H1015-S1019 PolarHBondContact O-N 3.32Å; H1015-S1019 PolarHBondContact O-OG 2.81Å
1016	K	88.7	Confident	85.8	Confident	105 Å²	105	59.7 Å²	59.7	46%	0.457	28%	0.281	S	S	.	.	H	α-helix	trans	-59.9	-45.2	174.8	-173	176	178.8	-175.6	0	110.6	L909 E1012 L1013 V1014 S1019 L1020	L909-K1016 HydrophobicContact CD2-CD 4.12Å; L909-K1016 HydrophobicContact CD2-CG 4.44Å; E1012-K1016 WeakPolarHBondContact O-CB 3.44Å; E1012-K1016 PolarHBondContact O-N 3.14Å; L1013-K1016 PolarHBondContact O-N 3.16Å; V1014-K1016 VanDerWaalsContact C-N 3.32Å; V1014-K1016 PolarHBondContact O-N 3.44Å; K1016-S1019 PolarHBondContact O-N 3.36Å; K1016-L1020 VanDerWaalsContact O-CG 3.31Å; K1016-L1020 WeakPolarHBondContact O-CG 3.43Å; K1016-L1020 PolarHBondContact O-N 3.14Å
1017	V	87.9	Confident	85.1	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.8	-42.7	175.8	174.3	0	0	0	0	111.8	L536 V540 L905 L909 F967 L1013 V1014 H1015 S1019 L1020 M1021	L536-V1017 HydrophobicContact CB-CG1 3.93Å; L536-V1017 HydrophobicContact CD1-CG1 4.18Å; L536-V1017 HydrophobicContact CD2-CG1 4.37Å; L536-V1017 HydrophobicContact CG-CG1 4.39Å; V540-V1017 HydrophobicContact CG1-CB 4.11Å; V540-V1017 HydrophobicContact CG1-CG1 3.82Å; V540-V1017 HydrophobicContact CG2-CG1 3.85Å; L905-V1017 HydrophobicContact CD2-CG2 4.42Å; L909-V1017 HydrophobicContact CD1-CG2 4.1Å; L909-V1017 HydrophobicContact CD2-CG2 4.35Å; F967-V1017 HydrophobicContact CE1-CB 4.39Å; F967-V1017 HydrophobicContact CE1-CG2 3.89Å; F967-V1017 HydrophobicContact CZ-CG2 4.37Å; L1013-V1017 WeakPolarHBondContact O-CG2 2.97Å; L1013-V1017 PolarHBondContact O-N 3.04Å; V1014-V1017 PolarHBondContact O-N 2.98Å; H1015-V1017 VanDerWaalsContact C-N 3.34Å; H1015-V1017 PolarHBondContact O-N 3.18Å; V1017-S1019 VanDerWaalsContact C-N 3.34Å; V1017-S1019 PolarHBondContact O-N 3.41Å; V1017-L1020 PolarHBondContact O-N 3.1Å; V1017-M1021 HydrophobicContact CG1-SD 4.33Å; V1017-M1021 WeakPolarHBondContact O-CG 3.33Å; V1017-M1021 PolarHBondContact O-N 3.04Å
1018	Q	87.6	Confident	84.4	Confident	11 Å²	11	65.8 Å²	65.8	5%	0.051	31%	0.309	C	S	.	.	H	α-helix	trans	-59.1	-44.2	175	-70.8	172.8	-46.8	0	0	111.6	V540 T541 I544 V1014 H1015 L1020 M1021 D1022	V540-Q1018 HydrophobicContact CB-CG 3.81Å; V540-Q1018 HydrophobicContact CG1-CG 4.39Å; V540-Q1018 HydrophobicContact CG2-CG 3.62Å; T541-Q1018 PolarHBondContact O-NE2 3.47Å; I544-Q1018 HydrophobicContact CD1-CB 4.17Å; I544-Q1018 HydrophobicContact CG1-CB 4.16Å; V1014-Q1018 HydrophobicContact CG1-CG 4.35Å; V1014-Q1018 WeakPolarHBondContact O-CG 3.39Å; V1014-Q1018 PolarHBondContact O-N 3.3Å; H1015-Q1018 PolarHBondContact O-N 3.43Å; Q1018-L1020 PolarHBondContact O-N 3.01Å; Q1018-M1021 WeakPolarHBondContact O-CB 3.41Å; Q1018-M1021 PolarHBondContact O-N 3.05Å; Q1018-D1022 PolarHBondContact O-N 3.3Å
1019	S	83.7	Confident	83.7	Confident	38 Å²	38	61.7 Å²	61.7	27%	0.266	30%	0.297	S	S	.	.	H	α-helix	trans	-64.8	-36.8	178.7	-57.5	0	0	0	0	112.7	H1015 K1016 V1017 M1021 D1022 N1023	H1015-S1019 PolarHBondContact CE1-OG 2.92Å; H1015-S1019 VanDerWaalsContact CE1-OG 3.27Å; H1015-S1019 PolarHBondContact ND1-OG 3.14Å; H1015-S1019 WeakPolarHBondContact O-CB 3.43Å; H1015-S1019 PolarHBondContact O-N 3.32Å; H1015-S1019 PolarHBondContact O-OG 2.81Å; K1016-S1019 PolarHBondContact O-N 3.36Å; V1017-S1019 VanDerWaalsContact C-N 3.34Å; V1017-S1019 PolarHBondContact O-N 3.41Å; S1019-M1021 PolarHBondContact O-N 3.29Å; S1019-D1022 PolarHBondContact O-N 3.16Å; S1019-N1023 PolarHBondContact O-N 3.5Å; S1019-N1023 PolarHBondContact O-ND2 3.22Å
1020	L	78.6	Confident	82.9	Confident	71 Å²	71	63.6 Å²	63.6	37%	0.372	31%	0.306	S	S	.	.	H	α-helix	trans	-63.7	-25.8	174.3	-72.6	170.3	0	0	0	112.5	R533 L909 K1016 V1017 Q1018	R533-L1020 PolarHBondContact NE-O 3.39Å; R533-L1020 PolarHBondContact NH2-O 3.42Å; L909-L1020 HydrophobicContact CD2-CD1 4.33Å; K1016-L1020 VanDerWaalsContact O-CG 3.31Å; K1016-L1020 WeakPolarHBondContact O-CG 3.43Å; K1016-L1020 PolarHBondContact O-N 3.14Å; V1017-L1020 PolarHBondContact O-N 3.1Å; Q1018-L1020 PolarHBondContact O-N 3.01Å
1021	M	74.9	Confident	81.8	Confident	11 Å²	11	68.1 Å²	68.1	5%	0.054	33%	0.328	C	S	.	.	H	α-helix	trans	-81.3	-33.6	177.1	-65.2	169.1	49.4	0	0	112.9	R533 S537 V540 H542 V1017 Q1018 S1019	R533-M1021 HydrophobicContact CG-CB 4.48Å; R533-M1021 HydrophobicContact CG-CG 4.19Å; S537-M1021 VanDerWaalsContact CA-CE 3.46Å; V540-M1021 HydrophobicContact CG2-CE 4.12Å; V540-M1021 HydrophobicContact CG2-SD 3.27Å; V540-M1021 WeakPolarHBondContact CG2-SD 3.25Å; H542-M1021 WeakPolarHBondContact CE1-CE 3.38Å; H542-M1021 WeakPolarHBondContact ND1-CE 3.35Å; V1017-M1021 HydrophobicContact CG1-SD 4.33Å; V1017-M1021 WeakPolarHBondContact O-CG 3.33Å; V1017-M1021 PolarHBondContact O-N 3.04Å; Q1018-M1021 WeakPolarHBondContact O-CB 3.41Å; Q1018-M1021 PolarHBondContact O-N 3.05Å; S1019-M1021 PolarHBondContact O-N 3.29Å
1022	D	68.1	Low	80.7	Confident	92 Å²	92	70.4 Å²	70.4	49%	0.492	34%	0.342	S	S	.	.	H	α-helix	trans	-77.4	-28.2	-178.6	-74.1	-15.9	0	0	0	113.6	Q1018 S1019 K1024	Q1018-D1022 PolarHBondContact O-N 3.3Å; S1019-D1022 PolarHBondContact O-N 3.16Å; D1022-K1024 VanDerWaalsContact C-N 3.26Å; D1022-K1024 PolarHBondContact O-N 3.29Å
1023	N	59.1	Low	79.6	Confident	119 Å²	119	66.7 Å²	66.7	64%	0.636	33%	0.326	S	S	*	.			trans	-72.1	77.2	173.3	-70.4	-32	0	0	0	110.7	R533 S1019	R533-N1023 PolarHBondContact NH2-O 3.17Å; S1019-N1023 PolarHBondContact O-N 3.5Å; S1019-N1023 PolarHBondContact O-ND2 3.22Å
1024	K	48.3	Very low	78.3	Confident	240 Å²	240	70.9 Å²	70.9	100%	1.043	35%	0.346	S	S	*	.			trans	-69.8	0	178.3	-79.5	-172.5	177.9	179.9	0	113.5	D1022	D1022-K1024 VanDerWaalsContact C-N 3.26Å; D1022-K1024 PolarHBondContact O-N 3.29Å

Retrieved 1,024 of 1,024 residues in 5490.6 ms (Link to these results)

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