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Anthranilate synthase component 1

Part of a heterotetrameric complex that catalyzes the two-step biosynthesis of anthranilate, an intermediate in the biosynthesis of L-tryptophan. In the first step, the glutamine-binding beta subunit (TrpG) of anthranilate synthase (AS) provides the glutamine amidotransferase activity which generates ammonia as a substrate that, along with chorismate, is used in the second step, catalyzed by the large alpha subunit of AS (TrpE) to produce anthranilate. In the absence of TrpG, TrpE can synthesize anthranilate directly from chorismate and high concentrations of ammonia.

AlphaFold DB , UniProt , Accession A0A077ZBW7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 906 aa.

						>A0A077ZBW7_TRITR|A0A077ZBW7
MRKTKEIFDKHLTTETIYYSLKDRGTSLFERRSEKQDYAIIAFDPVKNLIFQNGAFHDGHVSYPCEDPLKELENYVLVDEEEQENLIFQGGALGYVGYDVAACYEAIGEIPKDQLGVPDLQFYLYESYVIYDKQKQISTLVIGNSYSKDSEIQMNRRMTELEQKLLQVSKLPDLEMPTLEFTSNLSQIEFEAIVRQAKERIVEGDVFQVVPSQRLSAEFTTDPFNYYRQLRQNNPSAYLYYLDFPDVQVIGSSPESLVTVEAELVTTNPIAGTRKRGANQEEDEALAKELQNDPKEIAEHRMLVDLGRNDLGKIAVHGSVTVPTYLTIERYQFVMHLVSVVTAKLKPGHTAMDALKATLPAGTVSGAPKIRAMTRIYQWETVKRSIYAGAVGFLGQNDQADFAIAIRTMVVKDNQAHVQAGAGIVYDSNPTSEYFETLQKAKALMELLPENVKILRNDDPELFAIAEKASAIVLSPGPGRPAEAGICLGHQAIGEVFGGKIVSAPTIMHGKQSRLQRQSERLVMRYHSLMIDPHQVPQDLEVMDEAEGCIMAIRHKRYPVFGLQFHPESIGTEDGAIYRGNDLTISEMQQVGKAIFEEQLTDSQISALLVGLKIKGVAAAELTGLAQVMQGKGTPMLAAPVGVMDNCGTGGDHSHSFNISTTAAFVLAGGGIPMAKHGNRSISSKSGSADILEVLGITLTVSPEKIDYLLKEAGIAFLFAPTLHPAMGAVMHIRKELATPTIFNLLGPLINPYPLDYQLMGTYAGDSLVETAKTLGQLGRERAIVIHGHGGMDEANLAGTTHCAVYQNGAVQEFSFDPEEAGFKRVPLAGIVGGSAEKNKDILLSVLRGIPSAHYETVLLNAGLGFMASGRVKTLTDGIAEAEQSILSGAAYDRLQQLIVKQQEAA
					

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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	83.7	Confident	87.7	Confident	79 Å²	79	81.4 Å²	81.4	39%	0.389	38%	0.379	S	S	.	.				0	141.2	0	-178.3	177.2	70	0	0	108.5	G143 N144 E151 M154	M1-G143 WeakPolarHBondContact O-CA 3.43Å; M1-N144 WeakPolarHBondContact CA-OD1 3.44Å; M1-N144 WeakPolarHBondContact CB-OD1 3.25Å; M1-N144 PolarHBondContact N-OD1 2.83Å; M1-N144 PolarHBondContact O-N 3.49Å; M1-N144 VanDerWaalsContact O-N 3.16Å; M1-N144 PolarHBondContact O-OD1 3.13Å; M1-E151 HydrophobicContact CE-CB 3.68Å; M1-E151 HydrophobicContact CE-CG 3.79Å; M1-E151 HydrophobicContact SD-CG 4.48Å; M1-M154 HydrophobicContact CE-CE 3.98Å; M1-M154 HydrophobicContact CE-SD 3.25Å; M1-M154 WeakPolarHBondContact CE-SD 3.43Å; M1-M154 WeakPolarHBondContact O-CE 3.27Å
2	R	88.8	Confident	87.8	Confident	27 Å²	27	74.8 Å²	74.8	10%	0.102	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136	176.3	-78.3	174.4	-85.7	137.1	-10.6	111	E81 Q83 I142	R2-E81 PolarHBondContact NH2-O 3.46Å; R2-Q83 VanDerWaalsContact NH1-CG 3.26Å; R2-I142 CarbonylContact C-O 3.6Å; R2-I142 WeakPolarHBondContact CA-O 3.45Å
3	K	91.2	Very high	88	Confident	55 Å²	55	72.7 Å²	72.7	24%	0.239	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	133.3	170.6	-65.5	-66.4	-172.9	-177.6	0	107.5	V141 I142 E151 M154 N155 M158	K3-V141 WeakPolarHBondContact O-CA 3.37Å; K3-I142 PolarHBondContact N-O 2.7Å; K3-I142 PolarHBondContact O-N 3.35Å; K3-E151 WeakPolarHBondContact CE-OE1 3.49Å; K3-E151 IonicContact NZ-OE1 2.72Å; K3-E151 PolarHBondContact NZ-OE1 2.77Å; K3-M154 HydrophobicContact CB-CE 4.42Å; K3-M154 HydrophobicContact CG-CB 4.44Å; K3-M154 HydrophobicContact CG-CE 3.96Å; K3-N155 WeakPolarHBondContact CE-OD1 3.34Å; K3-M158 VanDerWaalsContact C-CE 3.46Å; K3-M158 HydrophobicContact CB-CE 3.54Å; K3-M158 WeakPolarHBondContact O-CE 3.47Å
4	T	93.1	Very high	88.3	Confident	71 Å²	71	67.5 Å²	67.5	44%	0.436	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	146	179.4	57	0	0	0	0	110.2	Q83 L86 L140 V141	T4-Q83 VanDerWaalsContact CG2-OE1 3.27Å; T4-L86 HydrophobicContact CG2-CD1 4.24Å; T4-L140 CarbonylContact C-O 3.57Å; T4-L140 WeakPolarHBondContact CA-O 3.48Å; T4-V141 HydrophobicContact CG2-CG1 4.15Å; T4-V141 HydrophobicContact CG2-CG2 4.06Å
5	K	93.4	Very high	88.6	Confident	89 Å²	89	64.3 Å²	64.3	39%	0.387	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	119.1	176.8	-178.2	71.3	175.5	-167.9	0	109.2	I7 L140 M158 E162	K5-I7 HydrophobicContact CG-CG1 4.25Å; K5-L140 HydrophobicContact CB-CB 4.49Å; K5-L140 PolarHBondContact N-O 2.74Å; K5-L140 PolarHBondContact O-N 3.48Å; K5-M158 HydrophobicContact CB-CE 4.27Å; K5-M158 HydrophobicContact CB-CG 4.47Å; K5-M158 HydrophobicContact CB-SD 3.63Å; K5-E162 WeakPolarHBondContact CE-OE1 3.46Å; K5-E162 IonicContact NZ-OE1 3.81Å
6	E	93.1	Very high	88.8	Confident	116 Å²	116	60.9 Å²	60.9	54%	0.542	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	133.5	170.7	-65.4	-175.8	165.2	0	0	110	F8 I137 S138	E6-F8 HydrophobicContact CB-CE2 3.93Å; E6-I137 HydrophobicContact CB-CG2 4.34Å; E6-I137 HydrophobicContact CG-CG2 4.38Å; E6-S138 CarbonylContact C-O 3.59Å; E6-S138 WeakPolarHBondContact CA-O 3.31Å
7	I	90.7	Very high	89.1	Confident	11 Å²	11	57.3 Å²	57.3	6%	0.056	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123	179.8	-54.2	172.6	0	0	0	107.5	K5 L12 S138 L140 E162 L165 L166	K5-I7 HydrophobicContact CG-CG1 4.25Å; I7-L12 HydrophobicContact CB-CD1 4.29Å; I7-L12 HydrophobicContact CG2-CD1 3.66Å; I7-S138 PolarHBondContact N-O 2.69Å; I7-S138 PolarHBondContact O-N 3.14Å; I7-S138 VanDerWaalsContact O-N 3.13Å; I7-L140 HydrophobicContact CD1-CB 4.3Å; I7-L140 HydrophobicContact CD1-CD2 4.49Å; I7-E162 HydrophobicContact CD1-CG 4.14Å; I7-L165 HydrophobicContact CD1-CD1 3.82Å; I7-L166 HydrophobicContact CG2-CD2 4.09Å
8	F	85.5	Confident	89.4	Confident	140 Å²	140	54.2 Å²	54.2	61%	0.614	26%	0.257	S	S	*	.			trans	-108.6	98.8	177.5	-64.2	-96.5	0	0	0	108.6	E6 I137	E6-F8 HydrophobicContact CB-CE2 3.93Å; F8-I137 HydrophobicContact CD1-CD1 4.41Å; F8-I137 HydrophobicContact CD1-CG1 3.94Å; F8-I137 HydrophobicContact CE1-CB 4.39Å; F8-I137 HydrophobicContact CE1-CD1 3.42Å; F8-I137 VanDerWaalsContact CE1-CD1 3.42Å; F8-I137 HydrophobicContact CE1-CG1 3.41Å; F8-I137 VanDerWaalsContact CE1-CG1 3.41Å; F8-I137 HydrophobicContact CE1-CG2 4.25Å; F8-I137 HydrophobicContact CZ-CD1 3.79Å; F8-I137 HydrophobicContact CZ-CG1 4.07Å; F8-I137 HydrophobicContact CZ-CG2 4.17Å
9	D	82.2	Confident	89.6	Confident	48 Å²	48	54.7 Å²	54.7	26%	0.257	26%	0.257	S	S	.	.			trans	-143.4	124.7	175	-168	-35.3	0	0	0	109.5	H11 L12 L166	D9-H11 PolarHBondContact O-N 3.17Å; D9-H11 VanDerWaalsContact O-N 3.17Å; D9-H11 WeakPolarHBondContact OD1-CB 3.13Å; D9-H11 IonicContact OD1-CD2 2.69Å; D9-H11 PolarHBondContact OD1-CD2 2.92Å; D9-H11 VanDerWaalsContact OD1-CD2 3.24Å; D9-H11 IonicContact OD1-CG 2.71Å; D9-H11 PolarHBondContact OD1-N 3.1Å; D9-L12 HydrophobicContact CB-CD1 4Å; D9-L12 HydrophobicContact CB-CG 3.97Å; D9-L12 WeakPolarHBondContact O-CB 3.24Å; D9-L12 PolarHBondContact O-N 3.11Å; D9-L12 VanDerWaalsContact O-N 3.07Å; D9-L166 HydrophobicContact CB-CD2 4.28Å
10	K	80.4	Confident	89.7	Confident	168 Å²	168	53 Å²	53	73%	0.73	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.3	179.5	66.8	-180	-178.2	178.7	0	113.7
11	H	83	Confident	89.8	Confident	91 Å²	91	51 Å²	51	42%	0.421	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-14.1	177.8	-61.8	-68.5	0	0	0	112.4	D9 T13 T16	D9-H11 PolarHBondContact O-N 3.17Å; D9-H11 VanDerWaalsContact O-N 3.17Å; D9-H11 WeakPolarHBondContact OD1-CB 3.13Å; D9-H11 IonicContact OD1-CD2 2.69Å; D9-H11 PolarHBondContact OD1-CD2 2.92Å; D9-H11 VanDerWaalsContact OD1-CD2 3.24Å; D9-H11 IonicContact OD1-CG 2.71Å; D9-H11 PolarHBondContact OD1-N 3.1Å; H11-T13 PolarHBondContact O-N 3.33Å; H11-T16 PolarHBondContact O-OG1 3.31Å
12	L	88.5	Confident	90	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.016	24%	0.24	C	C	.	.			trans	-80.1	111.1	173.4	-66.3	178.5	0	0	0	109.7	I7 D9 T16 I17 Y131 L165	I7-L12 HydrophobicContact CB-CD1 4.29Å; I7-L12 HydrophobicContact CG2-CD1 3.66Å; D9-L12 HydrophobicContact CB-CD1 4Å; D9-L12 HydrophobicContact CB-CG 3.97Å; D9-L12 WeakPolarHBondContact O-CB 3.24Å; D9-L12 PolarHBondContact O-N 3.11Å; D9-L12 VanDerWaalsContact O-N 3.07Å; L12-T16 WeakPolarHBondContact CA-OG1 2.97Å; L12-I17 HydrophobicContact CB-CD1 4.22Å; L12-I17 HydrophobicContact CB-CG1 4.05Å; L12-I17 HydrophobicContact CD2-CG1 3.95Å; L12-I17 HydrophobicContact CG-CG1 4.47Å; L12-Y131 WeakPolarHBondContact O-CE2 3.25Å; L12-Y131 PolarHBondContact O-OH 2.61Å; L12-Y131 VanDerWaalsContact O-OH 3.07Å; L12-L165 HydrophobicContact CD2-CB 4.31Å; L12-L165 HydrophobicContact CD2-CD2 4.43Å; L12-L165 WeakPolarHBondContact CD2-O 3.31Å
13	T	90.5	Very high	89.9	Confident	47 Å²	47	55 Å²	55	29%	0.288	26%	0.263	S	S	.	.			trans	-121.7	166.7	169.8	70.8	0	0	0	0	107.6	H11 E15 T16 I17	H11-T13 PolarHBondContact O-N 3.33Å; T13-E15 PolarHBondContact O-N 3.41Å; T13-E15 VanDerWaalsContact O-N 3.14Å; T13-T16 PolarHBondContact N-OG1 3Å; T13-T16 PolarHBondContact O-N 2.74Å; T13-T16 VanDerWaalsContact O-N 3.16Å; T13-T16 PolarHBondContact O-OG1 3.27Å; T13-T16 PolarHBondContact OG1-N 2.74Å; T13-T16 PolarHBondContact OG1-OG1 3.43Å; T13-I17 WeakPolarHBondContact O-CB 3.27Å; T13-I17 WeakPolarHBondContact O-CD1 3.44Å; T13-I17 WeakPolarHBondContact O-CG1 3.24Å; T13-I17 PolarHBondContact O-N 3.09Å
14	T	92.9	Very high	89.2	Confident	0 Å²	0	62 Å²	62	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-49.8	-43.1	176.8	-54.6	0	0	0	0	112.7	Y18 L28 E30 A39 I41 Y131	T14-Y18 WeakPolarHBondContact O-CB 3.49Å; T14-Y18 PolarHBondContact O-N 3.02Å; T14-L28 HydrophobicContact CG2-CD1 3.34Å; T14-L28 HydrophobicContact CG2-CD2 3.95Å; T14-L28 HydrophobicContact CG2-CG 4.28Å; T14-E30 HydrophobicContact CG2-CG 4Å; T14-E30 VanDerWaalsContact CG2-OE1 3.24Å; T14-E30 WeakPolarHBondContact CG2-OE1 3.48Å; T14-A39 HydrophobicContact CG2-CB 3.53Å; T14-I41 HydrophobicContact CG2-CD1 4.4Å; T14-Y131 WeakPolarHBondContact OG1-CD1 3Å
15	E	91.9	Very high	89	Confident	19 Å²	19	58.7 Å²	58.7	9%	0.089	27%	0.268	C	S	.	.	H	α-helix	trans	-72.2	-40.4	-178	-60.5	166.8	79.6	0	0	112.4	T13 Y19 L171 F224 R228 R231	T13-E15 PolarHBondContact O-N 3.41Å; T13-E15 VanDerWaalsContact O-N 3.14Å; E15-Y19 VanDerWaalsContact O-CB 3.24Å; E15-Y19 WeakPolarHBondContact O-CB 3.39Å; E15-Y19 PolarHBondContact O-N 3.49Å; E15-L171 HydrophobicContact CB-CD1 3.51Å; E15-F224 HydrophobicContact CB-CZ 4.46Å; E15-R228 HydrophobicContact CG-CG 4.14Å; E15-R228 WeakPolarHBondContact OE1-CB 3.39Å; E15-R228 WeakPolarHBondContact OE1-CG 3.21Å; E15-R228 IonicContact OE1-CZ 3.26Å; E15-R228 IonicContact OE1-NE 3.78Å; E15-R228 PolarHBondContact OE1-NE 2.95Å; E15-R231 IonicContact OE2-NH1 2.85Å; E15-R231 PolarHBondContact OE2-NH1 2.93Å
16	T	92.4	Very high	89.1	Confident	10 Å²	10	54.4 Å²	54.4	6%	0.061	25%	0.249	C	C	.	.	H	α-helix	trans	-72	-37.4	178.8	59	0	0	0	0	111.4	H11 L12 T13 Y19 S20 L171	H11-T16 PolarHBondContact O-OG1 3.31Å; L12-T16 WeakPolarHBondContact CA-OG1 2.97Å; T13-T16 PolarHBondContact N-OG1 3Å; T13-T16 PolarHBondContact O-N 2.74Å; T13-T16 VanDerWaalsContact O-N 3.16Å; T13-T16 PolarHBondContact O-OG1 3.27Å; T13-T16 PolarHBondContact OG1-N 2.74Å; T13-T16 PolarHBondContact OG1-OG1 3.43Å; T16-Y19 PolarHBondContact O-N 3.2Å; T16-S20 WeakPolarHBondContact O-CB 3.27Å; T16-S20 PolarHBondContact O-N 2.92Å; T16-S20 PolarHBondContact O-OG 3.48Å; T16-L171 HydrophobicContact CG2-CD1 4.19Å; T16-L171 HydrophobicContact CG2-CD2 4.39Å; T16-L171 HydrophobicContact CG2-CG 4.03Å
17	I	94.3	Very high	89.2	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.5	-52.4	173.8	-65.7	163.5	0	0	0	109.8	L12 T13 Y19 S20 L21 I41 V129 Y131 S138 L165	L12-I17 HydrophobicContact CB-CD1 4.22Å; L12-I17 HydrophobicContact CB-CG1 4.05Å; L12-I17 HydrophobicContact CD2-CG1 3.95Å; L12-I17 HydrophobicContact CG-CG1 4.47Å; T13-I17 WeakPolarHBondContact O-CB 3.27Å; T13-I17 WeakPolarHBondContact O-CD1 3.44Å; T13-I17 WeakPolarHBondContact O-CG1 3.24Å; T13-I17 PolarHBondContact O-N 3.09Å; I17-Y19 PolarHBondContact O-N 2.95Å; I17-S20 PolarHBondContact O-N 2.73Å; I17-L21 HydrophobicContact CG2-CD1 4.09Å; I17-L21 WeakPolarHBondContact O-CG 3.31Å; I17-L21 PolarHBondContact O-N 2.96Å; I17-I41 HydrophobicContact CB-CD1 4.35Å; I17-I41 HydrophobicContact CB-CG1 4.4Å; I17-I41 HydrophobicContact CG2-CB 4.04Å; I17-I41 HydrophobicContact CG2-CD1 3.84Å; I17-I41 HydrophobicContact CG2-CG1 3.78Å; I17-I41 HydrophobicContact CG2-CG2 4.26Å; I17-V129 HydrophobicContact CD1-CG1 4.27Å; I17-V129 HydrophobicContact CG2-CB 3.93Å; I17-V129 HydrophobicContact CG2-CG1 3.88Å; I17-V129 HydrophobicContact CG2-CG2 4.17Å; I17-Y131 HydrophobicContact CD1-CD2 3.87Å; I17-Y131 HydrophobicContact CD1-CG 3.84Å; I17-S138 WeakPolarHBondContact CD1-OG 3.24Å; I17-L165 HydrophobicContact CB-CD2 4.34Å; I17-L165 HydrophobicContact CG1-CD2 4.39Å; I17-L165 HydrophobicContact CG2-CD2 3.92Å
18	Y	94.5	Very high	89.5	Confident	1 Å²	1	48.4 Å²	48.4	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-56.3	-51.7	176.7	-178.3	-86	0	0	0	111	T14 S20 L21 K22 T26 L28 I41 F224 Y241	T14-Y18 WeakPolarHBondContact O-CB 3.49Å; T14-Y18 PolarHBondContact O-N 3.02Å; Y18-S20 VanDerWaalsContact C-N 3.26Å; Y18-S20 PolarHBondContact O-N 3.18Å; Y18-L21 CarbonylContact O-C 3.58Å; Y18-L21 PolarHBondContact O-N 3.03Å; Y18-K22 HydrophobicContact CD1-CB 4.16Å; Y18-K22 HydrophobicContact CE1-CB 3.71Å; Y18-K22 HydrophobicContact CE1-CD 4.44Å; Y18-K22 WeakPolarHBondContact O-CA 3.36Å; Y18-K22 WeakPolarHBondContact O-CB 3.38Å; Y18-K22 PolarHBondContact O-N 3Å; Y18-T26 HydrophobicContact CD2-CG2 3.75Å; Y18-T26 HydrophobicContact CE2-CG2 3.38Å; Y18-T26 PolarHBondContact OH-O 3.19Å; Y18-L28 HydrophobicContact CD2-CB 3.75Å; Y18-L28 HydrophobicContact CD2-CD2 4.29Å; Y18-L28 HydrophobicContact CE2-CB 4.1Å; Y18-I41 HydrophobicContact CD2-CG2 4.22Å; Y18-F224 HydrophobicContact CD1-CD1 4.16Å; Y18-F224 AromaticContact CD1-CD2 3.54Å; Y18-F224 HydrophobicContact CD1-CD2 3.54Å; Y18-F224 AromaticContact CD1-CE1 3.79Å; Y18-F224 HydrophobicContact CD1-CE1 3.79Å; Y18-F224 AromaticContact CD1-CE2 3.13Å; Y18-F224 HydrophobicContact CD1-CE2 3.13Å; Y18-F224 HydrophobicContact CD1-CG 4.05Å; Y18-F224 AromaticContact CD1-CZ 3.27Å; Y18-F224 HydrophobicContact CD1-CZ 3.27Å; Y18-F224 HydrophobicContact CD2-CE2 4.41Å; Y18-F224 HydrophobicContact CE1-CD1 4.31Å; Y18-F224 AromaticContact CE1-CD2 3.5Å; Y18-F224 HydrophobicContact CE1-CD2 3.5Å; Y18-F224 VanDerWaalsContact CE1-CD2 3.5Å; Y18-F224 HydrophobicContact CE1-CE1 4.4Å; Y18-F224 AromaticContact CE1-CE2 3.63Å; Y18-F224 HydrophobicContact CE1-CE2 3.63Å; Y18-F224 AromaticContact CE1-CG 3.87Å; Y18-F224 HydrophobicContact CE1-CG 3.87Å; Y18-F224 HydrophobicContact CE1-CZ 4.09Å; Y18-F224 HydrophobicContact CG-CD2 4.33Å; Y18-F224 AromaticContact CG-CE2 3.62Å; Y18-F224 HydrophobicContact CG-CE2 3.62Å; Y18-F224 AromaticContact CG-CZ 3.85Å; Y18-F224 HydrophobicContact CG-CZ 3.85Å; Y18-Y241 HydrophobicContact CE1-CD1 4.24Å; Y18-Y241 HydrophobicContact CE1-CE1 4.16Å; Y18-Y241 AromaticContact CE2-CD1 3.86Å; Y18-Y241 HydrophobicContact CE2-CD1 3.86Å; Y18-Y241 HydrophobicContact CE2-CE1 4.35Å; Y18-Y241 AromaticContact CZ-CD1 3.58Å; Y18-Y241 AromaticContact CZ-CE1 3.62Å; Y18-Y241 WeakPolarHBondContact OH-CD1 3.42Å; Y18-Y241 WeakPolarHBondContact OH-CE1 3.44Å
19	Y	92.1	Very high	90.1	Very high	65 Å²	65	41.7 Å²	41.7	26%	0.255	19%	0.192	S	C	.	.	H	α-helix	trans	-63.1	-31.8	-176.7	-167.6	-87.2	0	0	0	113.3	E15 T16 I17 L21 K22 V168 L171 P172 F224	E15-Y19 VanDerWaalsContact O-CB 3.24Å; E15-Y19 WeakPolarHBondContact O-CB 3.39Å; E15-Y19 PolarHBondContact O-N 3.49Å; T16-Y19 PolarHBondContact O-N 3.2Å; I17-Y19 PolarHBondContact O-N 2.95Å; Y19-L21 VanDerWaalsContact C-N 3.29Å; Y19-K22 HydrophobicContact CD2-CD 4.01Å; Y19-K22 HydrophobicContact CE2-CD 4.29Å; Y19-K22 VanDerWaalsContact CE2-NZ 3.27Å; Y19-K22 HydrophobicContact CG-CD 4.44Å; Y19-V168 HydrophobicContact CD1-CG1 4.04Å; Y19-L171 HydrophobicContact CD1-CD2 3.89Å; Y19-L171 HydrophobicContact CD2-CD2 3.74Å; Y19-L171 HydrophobicContact CG-CD2 3.36Å; Y19-P172 HydrophobicContact CE2-CG 3.86Å; Y19-P172 VanDerWaalsContact CZ-CD 3.5Å; Y19-P172 WeakPolarHBondContact OH-CG 3.28Å; Y19-F224 HydrophobicContact CD2-CD1 4.39Å; Y19-F224 HydrophobicContact CD2-CE1 4.16Å
20	S	92	Very high	90.8	Very high	19 Å²	19	39.5 Å²	39.5	13%	0.133	18%	0.18	C	C	.	.	H	α-helix	trans	-69.3	-29.7	176	-57.9	0	0	0	0	113.1	T16 I17 Y18 V168	T16-S20 WeakPolarHBondContact O-CB 3.27Å; T16-S20 PolarHBondContact O-N 2.92Å; T16-S20 PolarHBondContact O-OG 3.48Å; I17-S20 PolarHBondContact O-N 2.73Å; Y18-S20 VanDerWaalsContact C-N 3.26Å; Y18-S20 PolarHBondContact O-N 3.18Å; S20-V168 WeakPolarHBondContact OG-CB 3.29Å; S20-V168 WeakPolarHBondContact OG-CG2 3.47Å
21	L	92.1	Very high	91.5	Very high	12 Å²	12	33.3 Å²	33.3	6%	0.063	15%	0.152	C	C	.	.	H	α-helix	trans	-110.3	2.5	-173.1	-61.7	178.9	0	0	0	112.7	I17 Y18 Y19 D23 T26 I41 F43 V129 L161 L165	I17-L21 HydrophobicContact CG2-CD1 4.09Å; I17-L21 WeakPolarHBondContact O-CG 3.31Å; I17-L21 PolarHBondContact O-N 2.96Å; Y18-L21 CarbonylContact O-C 3.58Å; Y18-L21 PolarHBondContact O-N 3.03Å; Y19-L21 VanDerWaalsContact C-N 3.29Å; L21-D23 PolarHBondContact O-N 3.06Å; L21-T26 PolarHBondContact O-OG1 2.99Å; L21-T26 VanDerWaalsContact O-OG1 3.05Å; L21-I41 HydrophobicContact CD1-CG2 4.42Å; L21-F43 HydrophobicContact CB-CD1 4.31Å; L21-F43 HydrophobicContact CB-CG 4.4Å; L21-F43 HydrophobicContact CD1-CD1 3.69Å; L21-F43 HydrophobicContact CD1-CE1 3.52Å; L21-F43 HydrophobicContact CD1-CG 4.45Å; L21-F43 HydrophobicContact CD1-CZ 4.14Å; L21-V129 HydrophobicContact CD1-CG2 3.8Å; L21-L161 HydrophobicContact CD2-CD2 3.6Å; L21-L165 HydrophobicContact CD1-CD2 3.7Å; L21-L165 HydrophobicContact CD1-CG 4.36Å; L21-L165 HydrophobicContact CD2-CD2 4.16Å; L21-L165 HydrophobicContact CD2-CG 4.22Å; L21-L165 HydrophobicContact CG-CD2 3.77Å; L21-L165 HydrophobicContact CG-CG 4.38Å
22	K	88.5	Confident	91.8	Very high	82 Å²	82	35.3 Å²	35.3	36%	0.357	16%	0.156	S	C	.	.			trans	-66.6	119.7	-175.7	76.5	179.3	-173.3	167.7	0	109.8	Y18 Y19 D222	Y18-K22 HydrophobicContact CD1-CB 4.16Å; Y18-K22 HydrophobicContact CE1-CB 3.71Å; Y18-K22 HydrophobicContact CE1-CD 4.44Å; Y18-K22 WeakPolarHBondContact O-CA 3.36Å; Y18-K22 WeakPolarHBondContact O-CB 3.38Å; Y18-K22 PolarHBondContact O-N 3Å; Y19-K22 HydrophobicContact CD2-CD 4.01Å; Y19-K22 HydrophobicContact CE2-CD 4.29Å; Y19-K22 VanDerWaalsContact CE2-NZ 3.27Å; Y19-K22 HydrophobicContact CG-CD 4.44Å; K22-D222 IonicContact NZ-OD2 2.82Å
23	D	85.4	Confident	91.5	Very high	109 Å²	109	37.1 Å²	37.1	58%	0.583	17%	0.168	S	C	*	.			trans	-142.1	176	163.7	-156.7	-16.3	0	0	0	106.5	L21 G25 T26	L21-D23 PolarHBondContact O-N 3.06Å; D23-G25 PolarHBondContact O-N 2.99Å; D23-T26 PolarHBondContact N-OG1 3.49Å; D23-T26 WeakPolarHBondContact O-CB 3.28Å; D23-T26 PolarHBondContact O-N 3.17Å; D23-T26 PolarHBondContact O-OG1 3.41Å; D23-T26 VanDerWaalsContact O-OG1 3.11Å
24	R	77.7	Confident	90.6	Very high	201 Å²	201	43.8 Å²	43.8	76%	0.758	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	126.5	176.7	-74.3	-174.2	172.9	-165.5	-4.8	110.4
25	G	88.1	Confident	89.8	Confident	1 Å²	1	53 Å²	53	1%	0.01	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	83	16.2	-178	0	0	0	0	0	114.5	D23 Y125 D243	D23-G25 PolarHBondContact O-N 2.99Å; G25-Y125 VanDerWaalsContact O-CE1 3.31Å; G25-Y125 WeakPolarHBondContact O-CE1 3.35Å; G25-Y125 PolarHBondContact O-OH 2.97Å; G25-D243 WeakPolarHBondContact CA-O 3.41Å; G25-D243 PolarHBondContact N-O 3.04Å
26	T	94.5	Very high	89.3	Confident	0 Å²	0	55 Å²	55	0%	0	25%	0.246	C	C	.	.			trans	-74.1	133	162.9	-57.8	0	0	0	0	109.4	Y18 L21 D23 I41 A42 F43 D243	Y18-T26 HydrophobicContact CD2-CG2 3.75Å; Y18-T26 HydrophobicContact CE2-CG2 3.38Å; Y18-T26 PolarHBondContact OH-O 3.19Å; L21-T26 PolarHBondContact O-OG1 2.99Å; L21-T26 VanDerWaalsContact O-OG1 3.05Å; D23-T26 PolarHBondContact N-OG1 3.49Å; D23-T26 WeakPolarHBondContact O-CB 3.28Å; D23-T26 PolarHBondContact O-N 3.17Å; D23-T26 PolarHBondContact O-OG1 3.41Å; D23-T26 VanDerWaalsContact O-OG1 3.11Å; T26-I41 HydrophobicContact CG2-CG2 4.13Å; T26-A42 CarbonylContact C-O 3.54Å; T26-A42 WeakPolarHBondContact CA-O 3.46Å; T26-A42 WeakPolarHBondContact CG2-O 3.41Å; T26-F43 HydrophobicContact CG2-CB 4.08Å; T26-D243 WeakPolarHBondContact O-CB 3.41Å
27	S	96.9	Very high	89.2	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147.3	178	-62.3	0	0	0	0	111.3	I41 A42 Y125	S27-I41 WeakPolarHBondContact O-CA 3.43Å; S27-A42 PolarHBondContact N-O 3.22Å; S27-A42 PolarHBondContact O-N 3.03Å; S27-Y125 WeakPolarHBondContact CB-OH 3.02Å; S27-Y125 PolarHBondContact OG-OH 2.65Å
28	L	97.3	Very high	89.2	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	130.5	-178.4	168.5	62.9	0	0	0	109.9	T14 Y18 E30 A39 I40 I41 F224 Y227 Y240 Y241	T14-L28 HydrophobicContact CG2-CD1 3.34Å; T14-L28 HydrophobicContact CG2-CD2 3.95Å; T14-L28 HydrophobicContact CG2-CG 4.28Å; Y18-L28 HydrophobicContact CD2-CB 3.75Å; Y18-L28 HydrophobicContact CD2-CD2 4.29Å; Y18-L28 HydrophobicContact CE2-CB 4.1Å; L28-E30 HydrophobicContact CD1-CG 4.04Å; L28-E30 HydrophobicContact CG-CG 4.47Å; L28-A39 HydrophobicContact CD1-CB 4.16Å; L28-I40 WeakPolarHBondContact CA-O 3.28Å; L28-I41 HydrophobicContact CD1-CD1 4.1Å; L28-I41 HydrophobicContact CD1-CG1 3.79Å; L28-F224 HydrophobicContact CD2-CE2 4.42Å; L28-Y227 HydrophobicContact CD2-CD1 4.09Å; L28-Y227 HydrophobicContact CD2-CE1 3.25Å; L28-Y227 HydrophobicContact CD2-CE2 4.39Å; L28-Y227 VanDerWaalsContact CD2-CZ 3.42Å; L28-Y227 WeakPolarHBondContact CD2-OH 3.39Å; L28-Y227 HydrophobicContact CG-CE1 4.42Å; L28-Y240 CarbonylContact O-C 3.26Å; L28-Y240 VanDerWaalsContact O-CA 3.23Å; L28-Y240 WeakPolarHBondContact O-CA 3.35Å; L28-Y241 PolarHBondContact N-O 3.48Å; L28-Y241 PolarHBondContact O-N 3.36Å
29	F	97.7	Very high	89.3	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	123.8	174.2	178.4	-90.9	0	0	0	109.2	R31 Y38 A39 I40 L93 Y238 L239 F393	F29-R31 HydrophobicContact CE1-CB 4.25Å; F29-Y38 HydrophobicContact CD1-CE2 4.45Å; F29-Y38 HydrophobicContact CE1-CE2 4.48Å; F29-A39 CarbonylContact O-C 3.27Å; F29-A39 WeakPolarHBondContact O-CA 3.48Å; F29-I40 HydrophobicContact CD1-CD1 4.29Å; F29-I40 PolarHBondContact N-O 3.14Å; F29-I40 PolarHBondContact O-N 3.2Å; F29-L93 HydrophobicContact CB-CD1 3.64Å; F29-L93 HydrophobicContact CG-CD1 4.27Å; F29-Y238 HydrophobicContact CE1-CD1 4.5Å; F29-Y238 AromaticContact CE2-CD1 3.95Å; F29-Y238 HydrophobicContact CE2-CD1 3.95Å; F29-Y238 AromaticContact CZ-CD1 3.57Å; F29-Y238 HydrophobicContact CZ-CD1 3.57Å; F29-Y238 AromaticContact CZ-CE1 3.83Å; F29-Y238 HydrophobicContact CZ-CE1 3.83Å; F29-L239 CarbonylContact C-O 3.51Å; F29-F393 HydrophobicContact CD1-CD1 4.2Å; F29-F393 HydrophobicContact CD1-CE1 4.27Å; F29-F393 HydrophobicContact CE1-CD1 4.05Å; F29-F393 AromaticContact CE1-CE1 3.86Å; F29-F393 HydrophobicContact CE1-CE1 3.86Å; F29-F393 HydrophobicContact CZ-CD1 4.42Å; F29-F393 HydrophobicContact CZ-CE1 4.43Å
30	E	96.8	Very high	89.6	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	136.7	174.5	-44.2	-173.6	-149	0	0	110.5	T14 L28 Y38 A39 K133 Y227 R231 Y238 L239	T14-E30 HydrophobicContact CG2-CG 4Å; T14-E30 VanDerWaalsContact CG2-OE1 3.24Å; T14-E30 WeakPolarHBondContact CG2-OE1 3.48Å; L28-E30 HydrophobicContact CD1-CG 4.04Å; L28-E30 HydrophobicContact CG-CG 4.47Å; E30-Y38 WeakPolarHBondContact CA-O 3.29Å; E30-A39 HydrophobicContact CB-CB 4.39Å; E30-A39 HydrophobicContact CG-CB 3.8Å; E30-K133 WeakPolarHBondContact OE2-CE 3.42Å; E30-K133 IonicContact OE2-NZ 2.77Å; E30-K133 PolarHBondContact OE2-NZ 3.15Å; E30-Y227 VanDerWaalsContact CD-OH 3.23Å; E30-Y227 WeakPolarHBondContact CG-OH 3.19Å; E30-Y227 PolarHBondContact OE1-OH 3.28Å; E30-R231 VanDerWaalsContact OE1-CD 3.25Å; E30-R231 WeakPolarHBondContact OE1-CD 3.36Å; E30-R231 IonicContact OE1-CZ 3.26Å; E30-R231 IonicContact OE1-NE 2.87Å; E30-R231 PolarHBondContact OE1-NE 3.24Å; E30-R231 IonicContact OE2-CZ 2.87Å; E30-R231 IonicContact OE2-NE 3.98Å; E30-R231 PolarHBondContact OE2-NE 3.41Å; E30-R231 VanDerWaalsContact OE2-NE 3.14Å; E30-R231 IonicContact OE2-NH2 2.93Å; E30-R231 PolarHBondContact OE2-NH2 3.46Å; E30-Y238 WeakPolarHBondContact O-CA 3.47Å; E30-L239 HydrophobicContact CB-CB 4.05Å; E30-L239 HydrophobicContact CG-CB 4.26Å; E30-L239 PolarHBondContact N-O 2.75Å; E30-L239 PolarHBondContact O-N 3.44Å
31	R	93.7	Very high	89.8	Confident	39 Å²	39	52.8 Å²	52.8	15%	0.147	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.7	172.8	-176.2	69.7	-179.9	88.6	4.2	108.7	F29 D37 Y38 A237 Y238 D401	F29-R31 HydrophobicContact CE1-CB 4.25Å; R31-D37 VanDerWaalsContact O-CA 3.32Å; R31-D37 WeakPolarHBondContact O-CA 3.41Å; R31-Y38 HydrophobicContact CB-CD1 4.16Å; R31-Y38 HydrophobicContact CB-CD2 4.26Å; R31-Y38 HydrophobicContact CB-CE1 3.62Å; R31-Y38 HydrophobicContact CB-CE2 3.72Å; R31-Y38 HydrophobicContact CB-CG 4.46Å; R31-Y38 HydrophobicContact CG-CE1 3.94Å; R31-Y38 PolarHBondContact N-O 3.14Å; R31-Y38 PolarHBondContact O-N 3.37Å; R31-A237 PolarHBondContact NH1-O 2.95Å; R31-A237 VanDerWaalsContact NH1-O 3.08Å; R31-Y238 PolarHBondContact NE-OH 2.85Å; R31-D401 WeakPolarHBondContact CD-OD2 3.41Å; R31-D401 IonicContact NE-OD2 2.69Å; R31-D401 PolarHBondContact NE-OD2 3.35Å
32	R	89.8	Confident	90.1	Very high	132 Å²	132	52.2 Å²	52.2	50%	0.498	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	118	174.9	-172.2	176.9	-177	-172.1	-0.3	111.2	Q36 A237	R32-Q36 CarbonylContact C-O 3.51Å; R32-A237 PolarHBondContact N-O 3.43Å; R32-A237 WeakPolarHBondContact O-CA 3.36Å
33	S	82.2	Confident	90.4	Very high	41 Å²	41	48.4 Å²	48.4	29%	0.287	22%	0.216	S	C	.	.			trans	-147.2	173	173.5	66.1	0	0	0	0	109	K35 Q36	S33-K35 PolarHBondContact O-N 2.99Å; S33-K35 PolarHBondContact OG-N 3.15Å; S33-Q36 PolarHBondContact N-O 3.1Å; S33-Q36 PolarHBondContact OG-N 2.89Å; S33-Q36 PolarHBondContact OG-O 3.18Å
34	E	72.6	Confident	90.8	Very high	187 Å²	187	46.4 Å²	46.4	87%	0.874	21%	0.205	S	C	*	.	S	Bend	trans	-59.7	-32.5	173.7	-64.3	-171	158.6	0	0	112.7
35	K	75.3	Confident	91.7	Very high	193 Å²	193	38.5 Å²	38.5	84%	0.839	18%	0.18	S	C	*	.	S	Bend	trans	-92.4	-30.6	-175.7	-65.4	-177.9	-178.7	176	0	113.9	S33	S33-K35 PolarHBondContact O-N 2.99Å; S33-K35 PolarHBondContact OG-N 3.15Å
36	Q	81	Confident	92	Very high	61 Å²	61	40.8 Å²	40.8	29%	0.285	19%	0.194	S	C	.	.			trans	-138	120.7	-172.1	-69.4	178.2	-8	0	0	109.4	R32 S33 Y38	R32-Q36 CarbonylContact C-O 3.51Å; S33-Q36 PolarHBondContact N-O 3.1Å; S33-Q36 PolarHBondContact OG-N 2.89Å; S33-Q36 PolarHBondContact OG-O 3.18Å; Q36-Y38 HydrophobicContact CB-CD1 3.94Å; Q36-Y38 HydrophobicContact CB-CE1 3.9Å; Q36-Y38 HydrophobicContact CG-CE1 4.38Å
37	D	90.7	Very high	92	Very high	37 Å²	37	43.6 Å²	43.6	20%	0.198	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	97.7	171	-169.9	16.4	0	0	0	109.3	R31 K133 Q134	R31-D37 VanDerWaalsContact O-CA 3.32Å; R31-D37 WeakPolarHBondContact O-CA 3.41Å; D37-K133 WeakPolarHBondContact O-CB 3.2Å; D37-K133 PolarHBondContact O-N 3.38Å; D37-K133 WeakPolarHBondContact OD1-CD 3.42Å; D37-K133 IonicContact OD1-NZ 2.65Å; D37-K133 PolarHBondContact OD1-NZ 3.01Å; D37-Q134 HydrophobicContact CB-CG 4.07Å
38	Y	94.8	Very high	92	Very high	13 Å²	13	45.2 Å²	45.2	5%	0.051	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	169	-172.6	65.5	-102.5	0	0	0	112.5	F29 E30 R31 Q36 I40 I87 Y131 K133	F29-Y38 HydrophobicContact CD1-CE2 4.45Å; F29-Y38 HydrophobicContact CE1-CE2 4.48Å; E30-Y38 WeakPolarHBondContact CA-O 3.29Å; R31-Y38 HydrophobicContact CB-CD1 4.16Å; R31-Y38 HydrophobicContact CB-CD2 4.26Å; R31-Y38 HydrophobicContact CB-CE1 3.62Å; R31-Y38 HydrophobicContact CB-CE2 3.72Å; R31-Y38 HydrophobicContact CB-CG 4.46Å; R31-Y38 HydrophobicContact CG-CE1 3.94Å; R31-Y38 PolarHBondContact N-O 3.14Å; R31-Y38 PolarHBondContact O-N 3.37Å; Q36-Y38 HydrophobicContact CB-CD1 3.94Å; Q36-Y38 HydrophobicContact CB-CE1 3.9Å; Q36-Y38 HydrophobicContact CG-CE1 4.38Å; Y38-I40 HydrophobicContact CD2-CD1 4.47Å; Y38-I40 HydrophobicContact CD2-CG1 4.06Å; Y38-I40 HydrophobicContact CE2-CD1 3.82Å; Y38-I40 HydrophobicContact CE2-CG1 3.91Å; Y38-I87 HydrophobicContact CD1-CD1 3.43Å; Y38-I87 VanDerWaalsContact CD1-CD1 3.43Å; Y38-I87 HydrophobicContact CD2-CD1 3.15Å; Y38-I87 HydrophobicContact CE1-CD1 3.62Å; Y38-I87 HydrophobicContact CE2-CD1 3.39Å; Y38-I87 HydrophobicContact CG-CD1 3.18Å; Y38-Y131 CarbonylContact C-O 3.55Å; Y38-Y131 WeakPolarHBondContact CA-O 3.29Å; Y38-K133 PolarHBondContact O-NZ 3.31Å
39	A	96.6	Very high	92	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	138.6	166.5	0	0	0	0	0	110.9	T14 L28 F29 E30 I41 I130 Y131	T14-A39 HydrophobicContact CG2-CB 3.53Å; L28-A39 HydrophobicContact CD1-CB 4.16Å; F29-A39 CarbonylContact O-C 3.27Å; F29-A39 WeakPolarHBondContact O-CA 3.48Å; E30-A39 HydrophobicContact CB-CB 4.39Å; E30-A39 HydrophobicContact CG-CB 3.8Å; A39-I41 HydrophobicContact CB-CD1 3.93Å; A39-I130 CarbonylContact O-C 3.58Å; A39-I130 WeakPolarHBondContact O-CA 3.32Å; A39-Y131 PolarHBondContact N-O 3.06Å; A39-Y131 PolarHBondContact O-N 2.98Å
40	I	97.5	Very high	92	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	118	169.7	-59.2	166.7	0	0	0	106.9	L28 F29 Y38 I87 F88 I130 F393	L28-I40 WeakPolarHBondContact CA-O 3.28Å; F29-I40 HydrophobicContact CD1-CD1 4.29Å; F29-I40 PolarHBondContact N-O 3.14Å; F29-I40 PolarHBondContact O-N 3.2Å; Y38-I40 HydrophobicContact CD2-CD1 4.47Å; Y38-I40 HydrophobicContact CD2-CG1 4.06Å; Y38-I40 HydrophobicContact CE2-CD1 3.82Å; Y38-I40 HydrophobicContact CE2-CG1 3.91Å; I40-I87 HydrophobicContact CG1-CD1 4.49Å; I40-F88 HydrophobicContact CD1-CB 3.73Å; I40-F88 HydrophobicContact CD1-CD2 4.5Å; I40-F88 HydrophobicContact CD1-CG 4.05Å; I40-F88 HydrophobicContact CG1-CB 4.3Å; I40-F88 HydrophobicContact CG2-CD1 3.86Å; I40-F88 HydrophobicContact CG2-CE1 4.26Å; I40-F88 HydrophobicContact CG2-CG 4.39Å; I40-I130 HydrophobicContact CG1-CG1 4.46Å; I40-F393 HydrophobicContact CD1-CD1 4.08Å; I40-F393 HydrophobicContact CD1-CE1 3.85Å; I40-F393 HydrophobicContact CD1-CZ 4.45Å
41	I	97.5	Very high	92	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	103.5	172.3	-59	79.6	0	0	0	106.9	T14 I17 Y18 L21 T26 S27 L28 A39 Y128 V129	T14-I41 HydrophobicContact CG2-CD1 4.4Å; I17-I41 HydrophobicContact CB-CD1 4.35Å; I17-I41 HydrophobicContact CB-CG1 4.4Å; I17-I41 HydrophobicContact CG2-CB 4.04Å; I17-I41 HydrophobicContact CG2-CD1 3.84Å; I17-I41 HydrophobicContact CG2-CG1 3.78Å; I17-I41 HydrophobicContact CG2-CG2 4.26Å; Y18-I41 HydrophobicContact CD2-CG2 4.22Å; L21-I41 HydrophobicContact CD1-CG2 4.42Å; T26-I41 HydrophobicContact CG2-CG2 4.13Å; S27-I41 WeakPolarHBondContact O-CA 3.43Å; L28-I41 HydrophobicContact CD1-CD1 4.1Å; L28-I41 HydrophobicContact CD1-CG1 3.79Å; A39-I41 HydrophobicContact CB-CD1 3.93Å; I41-Y128 CarbonylContact O-C 3.52Å; I41-Y128 WeakPolarHBondContact O-CA 3.49Å; I41-Y128 WeakPolarHBondContact O-CB 3.32Å; I41-V129 HydrophobicContact CB-CB 4.43Å; I41-V129 PolarHBondContact N-O 3.32Å; I41-V129 PolarHBondContact O-N 2.98Å
42	A	97.4	Very high	92.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137.5	-179.7	0	0	0	0	0	110.3	T26 S27 Y125	T26-A42 CarbonylContact C-O 3.54Å; T26-A42 WeakPolarHBondContact CA-O 3.46Å; T26-A42 WeakPolarHBondContact CG2-O 3.41Å; S27-A42 PolarHBondContact N-O 3.22Å; S27-A42 PolarHBondContact O-N 3.03Å; A42-Y125 HydrophobicContact CB-CD1 3.66Å; A42-Y125 HydrophobicContact CB-CD2 3.58Å; A42-Y125 HydrophobicContact CB-CE1 3.91Å; A42-Y125 HydrophobicContact CB-CE2 3.82Å; A42-Y125 HydrophobicContact CB-CG 3.48Å; A42-Y125 VanDerWaalsContact CB-CG 3.48Å
43	F	95.7	Very high	92.2	Very high	2 Å²	2	48 Å²	48	1%	0.009	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	169.4	-171.7	54.4	-86.6	0	0	0	110.4	L21 T26 Y125 S127 V129 L140 L161	L21-F43 HydrophobicContact CB-CD1 4.31Å; L21-F43 HydrophobicContact CB-CG 4.4Å; L21-F43 HydrophobicContact CD1-CD1 3.69Å; L21-F43 HydrophobicContact CD1-CE1 3.52Å; L21-F43 HydrophobicContact CD1-CG 4.45Å; L21-F43 HydrophobicContact CD1-CZ 4.14Å; T26-F43 HydrophobicContact CG2-CB 4.08Å; F43-Y125 WeakPolarHBondContact O-CD1 3.47Å; F43-S127 PolarHBondContact N-O 3.27Å; F43-S127 VanDerWaalsContact N-O 3.11Å; F43-V129 HydrophobicContact CE1-CG2 4.14Å; F43-L140 HydrophobicContact CE1-CD1 4.43Å; F43-L140 HydrophobicContact CZ-CD1 3.89Å; F43-L161 HydrophobicContact CD2-CD2 4.29Å; F43-L161 HydrophobicContact CE2-CD1 3.55Å; F43-L161 HydrophobicContact CE2-CD2 3.62Å; F43-L161 HydrophobicContact CE2-CG 4.23Å; F43-L161 HydrophobicContact CZ-CD1 3.93Å; F43-L161 HydrophobicContact CZ-CD2 4.15Å
44	D	94	Very high	92.8	Very high	66 Å²	66	47.9 Å²	47.9	35%	0.353	25%	0.246	S	C	.	.	S	Bend	trans	49.4	61.2	-175.3	-60.5	-16	0	0	0	112.6	V46 R157	D44-V46 PolarHBondContact O-N 2.77Å; D44-R157 VanDerWaalsContact CB-NH2 3.32Å; D44-R157 IonicContact OD2-CZ 3.68Å; D44-R157 IonicContact OD2-NH2 3.63Å; D44-R157 PolarHBondContact OD2-NH2 3.29Å
45	P	95.4	Very high	94	Very high	35 Å²	35	40.2 Å²	40.2	23%	0.227	21%	0.214	C	C	.	.			trans	-62.5	139.3	-176.3	27.7	-34.6	0	0	0	112	Y123 L124 Y125	P45-Y123 HydrophobicContact CB-CD1 3.4Å; P45-Y123 VanDerWaalsContact CB-CD1 3.4Å; P45-Y123 HydrophobicContact CB-CE1 4.1Å; P45-Y123 HydrophobicContact CB-CG 3.76Å; P45-Y123 HydrophobicContact CG-CD1 3.54Å; P45-Y123 HydrophobicContact CG-CE1 3.71Å; P45-Y123 HydrophobicContact CG-CG 4.04Å; P45-L124 CarbonylContact C-O 3.47Å; P45-L124 WeakPolarHBondContact CA-O 3.36Å; P45-Y125 HydrophobicContact CB-CD1 3.96Å; P45-Y125 HydrophobicContact CB-CE1 3.63Å; P45-Y125 HydrophobicContact CG-CE1 4.18Å
46	V	95.1	Very high	95	Very high	50 Å²	50	31 Å²	31	30%	0.303	17%	0.174	S	C	.	.	S	Bend	trans	-76.9	-35.7	178	-175.2	0	0	0	0	111.2	D44 L124 E126	D44-V46 PolarHBondContact O-N 2.77Å; V46-L124 PolarHBondContact N-O 3.27Å; V46-E126 HydrophobicContact CG2-CG 3.7Å
47	K	95.1	Very high	95.8	Very high	58 Å²	58	31 Å²	31	25%	0.252	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	152	178.5	-66	-169.3	171.7	-160.4	0	112	L49 Y75 Y123 L124	K47-L49 HydrophobicContact CB-CD2 4.1Å; K47-L49 HydrophobicContact CB-CG 4.39Å; K47-L49 HydrophobicContact CD-CD2 4.22Å; K47-Y75 HydrophobicContact CD-CD1 4.28Å; K47-Y123 WeakPolarHBondContact O-CA 3.49Å; K47-Y123 WeakPolarHBondContact O-CD1 3.37Å; K47-L124 HydrophobicContact CB-CB 4.05Å; K47-L124 HydrophobicContact CB-CD2 4.34Å; K47-L124 HydrophobicContact CD-CD2 4.32Å; K47-L124 HydrophobicContact CG-CD2 4.37Å; K47-L124 PolarHBondContact O-N 3.22Å
48	N	95.5	Very high	95.9	Very high	35 Å²	35	30 Å²	30	19%	0.187	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	106	167.9	-174.5	7.9	0	0	0	108.1	G59 Q121 Y123	N48-G59 PolarHBondContact O-N 3.13Å; N48-Q121 PolarHBondContact OD1-NE2 3.2Å; N48-Q121 VanDerWaalsContact OD1-NE2 3.14Å; N48-Y123 HydrophobicContact CB-CD1 3.94Å; N48-Y123 HydrophobicContact CB-CE1 3.64Å
49	L	97.2	Very high	95.5	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	119.2	-176.1	-56.2	176.2	0	0	0	108.5	K47 F56 D58 L72 Y75 Q121 F122	K47-L49 HydrophobicContact CB-CD2 4.1Å; K47-L49 HydrophobicContact CB-CG 4.39Å; K47-L49 HydrophobicContact CD-CD2 4.22Å; L49-F56 HydrophobicContact CB-CE1 4.33Å; L49-F56 HydrophobicContact CB-CZ 3.98Å; L49-F56 HydrophobicContact CD2-CE1 4.2Å; L49-F56 HydrophobicContact CD2-CZ 4.5Å; L49-D58 HydrophobicContact CD2-CB 4.4Å; L49-L72 HydrophobicContact CB-CD1 4.34Å; L49-L72 HydrophobicContact CD1-CD1 3.54Å; L49-Y75 HydrophobicContact CD1-CG 4.3Å; L49-Y75 HydrophobicContact CD2-CD1 4.36Å; L49-Y75 HydrophobicContact CD2-CD2 4.27Å; L49-Y75 HydrophobicContact CD2-CG 4.1Å; L49-Q121 WeakPolarHBondContact O-CA 3.25Å; L49-F122 PolarHBondContact N-O 2.92Å; L49-F122 PolarHBondContact O-N 2.78Å
50	I	97.6	Very high	95.1	Very high	33 Å²	33	38.5 Å²	38.5	17%	0.169	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	136.4	-171.1	-58.1	174.2	0	0	0	109	F56 H57 P118 L120 Q121	I50-F56 CarbonylContact O-C 3.58Å; I50-F56 WeakPolarHBondContact O-CA 3.28Å; I50-H57 HydrophobicContact CB-CB 4.29Å; I50-H57 PolarHBondContact N-O 3.16Å; I50-H57 PolarHBondContact O-N 2.72Å; I50-P118 HydrophobicContact CG2-CB 3.61Å; I50-P118 HydrophobicContact CG2-CG 3.58Å; I50-L120 CarbonylContact C-O 3.33Å; I50-L120 WeakPolarHBondContact CA-O 3.28Å; I50-Q121 HydrophobicContact CG1-CG 4.04Å
51	F	97.9	Very high	94.9	Very high	5 Å²	5	42.4 Å²	42.4	2%	0.022	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128	164.4	176.8	-103.2	0	0	0	110	A55 F56 C65 P68 D119 L120	F51-A55 WeakPolarHBondContact CA-O 3.48Å; F51-A55 VanDerWaalsContact CD2-O 3.28Å; F51-A55 WeakPolarHBondContact CD2-O 3.43Å; F51-F56 HydrophobicContact CB-CD2 4.04Å; F51-F56 HydrophobicContact CD2-CB 4.3Å; F51-F56 HydrophobicContact CD2-CD2 4.39Å; F51-C65 HydrophobicContact CD2-CB 4.36Å; F51-C65 HydrophobicContact CE2-CB 4.13Å; F51-C65 WeakPolarHBondContact CE2-O 3.21Å; F51-P68 HydrophobicContact CB-CB 3.86Å; F51-P68 HydrophobicContact CD1-CB 3.75Å; F51-P68 HydrophobicContact CD1-CG 3.77Å; F51-P68 HydrophobicContact CD2-CB 3.63Å; F51-P68 HydrophobicContact CD2-CG 4.24Å; F51-P68 HydrophobicContact CE1-CB 4.15Å; F51-P68 HydrophobicContact CE1-CG 3.75Å; F51-P68 HydrophobicContact CE2-CB 4.02Å; F51-P68 HydrophobicContact CE2-CG 4.2Å; F51-P68 HydrophobicContact CG-CB 3.47Å; F51-P68 VanDerWaalsContact CG-CB 3.47Å; F51-P68 HydrophobicContact CG-CG 4.02Å; F51-P68 HydrophobicContact CZ-CB 4.25Å; F51-P68 HydrophobicContact CZ-CG 3.95Å; F51-D119 HydrophobicContact CD1-CB 3.94Å; F51-D119 HydrophobicContact CE1-CB 4.41Å; F51-D119 PolarHBondContact O-N 3.27Å; F51-L120 HydrophobicContact CB-CB 4.12Å; F51-L120 HydrophobicContact CB-CD2 4.42Å; F51-L120 PolarHBondContact N-O 2.88Å; F51-L120 PolarHBondContact O-N 3.12Å; F51-L120 VanDerWaalsContact O-N 3.16Å
52	Q	95.5	Very high	94.8	Very high	57 Å²	57	46.1 Å²	46.1	27%	0.266	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	139.9	179.4	-164.7	177.4	27.7	0	0	109.7	G54 A55 G116 V117 P118	Q52-G54 PolarHBondContact O-N 3.43Å; Q52-A55 PolarHBondContact N-O 3Å; Q52-A55 PolarHBondContact O-N 3.06Å; Q52-A55 VanDerWaalsContact O-N 3.09Å; Q52-G116 PolarHBondContact NE2-O 2.55Å; Q52-V117 PolarHBondContact NE2-O 3.41Å; Q52-V117 VanDerWaalsContact NE2-O 3.15Å; Q52-P118 HydrophobicContact CB-CB 4.43Å
53	N	92.3	Very high	94.8	Very high	135 Å²	135	48.9 Å²	48.9	72%	0.722	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	36.8	175.1	-58.5	-40.5	0	0	0	114	A55	N53-A55 VanDerWaalsContact C-N 3.31Å; N53-A55 PolarHBondContact O-N 3.44Å
54	G	94	Very high	94.8	Very high	39 Å²	39	54.6 Å²	54.6	40%	0.402	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	7.9	178.5	0	0	0	0	0	115.3	Q52 C65	Q52-G54 PolarHBondContact O-N 3.43Å; G54-C65 PolarHBondContact O-N 2.95Å
55	A	97.4	Very high	95	Very high	25 Å²	25	52.1 Å²	52.1	21%	0.207	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	137.1	177.2	0	0	0	0	0	111.4	F51 Q52 N53 S62 Y63	F51-A55 WeakPolarHBondContact CA-O 3.48Å; F51-A55 VanDerWaalsContact CD2-O 3.28Å; F51-A55 WeakPolarHBondContact CD2-O 3.43Å; Q52-A55 PolarHBondContact N-O 3Å; Q52-A55 PolarHBondContact O-N 3.06Å; Q52-A55 VanDerWaalsContact O-N 3.09Å; N53-A55 VanDerWaalsContact C-N 3.31Å; N53-A55 PolarHBondContact O-N 3.44Å; A55-S62 WeakPolarHBondContact CB-OG 3.45Å; A55-Y63 CarbonylContact C-O 3.51Å; A55-Y63 VanDerWaalsContact CA-O 3.27Å; A55-Y63 WeakPolarHBondContact CA-O 3.39Å
56	F	97.9	Very high	94.9	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	138.5	172.2	-162.2	-86	0	0	0	109.3	L49 I50 F51 S62 Y63 C65 P68 E71 Y75 L120	L49-F56 HydrophobicContact CB-CE1 4.33Å; L49-F56 HydrophobicContact CB-CZ 3.98Å; L49-F56 HydrophobicContact CD2-CE1 4.2Å; L49-F56 HydrophobicContact CD2-CZ 4.5Å; I50-F56 CarbonylContact O-C 3.58Å; I50-F56 WeakPolarHBondContact O-CA 3.28Å; F51-F56 HydrophobicContact CB-CD2 4.04Å; F51-F56 HydrophobicContact CD2-CB 4.3Å; F51-F56 HydrophobicContact CD2-CD2 4.39Å; F56-S62 CarbonylContact O-C 3.57Å; F56-S62 VanDerWaalsContact O-CA 3.27Å; F56-S62 WeakPolarHBondContact O-CA 3.41Å; F56-Y63 HydrophobicContact CB-CD2 4.48Å; F56-Y63 HydrophobicContact CB-CE2 3.97Å; F56-Y63 HydrophobicContact CD1-CE1 4.48Å; F56-Y63 HydrophobicContact CD1-CE2 4.47Å; F56-Y63 AromaticContact CD1-CZ 3.89Å; F56-Y63 WeakPolarHBondContact CD1-OH 3.3Å; F56-Y63 PolarHBondContact N-O 3.39Å; F56-Y63 PolarHBondContact O-N 3.49Å; F56-C65 HydrophobicContact CB-CB 3.6Å; F56-P68 HydrophobicContact CD2-CB 4.28Å; F56-E71 HydrophobicContact CB-CG 4.37Å; F56-E71 HydrophobicContact CD1-CG 3.78Å; F56-E71 HydrophobicContact CD2-CB 3.92Å; F56-E71 HydrophobicContact CD2-CG 3.95Å; F56-E71 HydrophobicContact CE1-CG 3.94Å; F56-E71 HydrophobicContact CE2-CB 3.94Å; F56-E71 HydrophobicContact CE2-CG 4.11Å; F56-E71 HydrophobicContact CG-CB 4.27Å; F56-E71 HydrophobicContact CG-CG 3.78Å; F56-E71 HydrophobicContact CZ-CB 4.29Å; F56-E71 HydrophobicContact CZ-CG 4.1Å; F56-Y75 HydrophobicContact CD1-CE2 4.44Å; F56-Y75 HydrophobicContact CE1-CD2 4.06Å; F56-Y75 AromaticContact CE1-CE2 3.78Å; F56-Y75 HydrophobicContact CE1-CE2 3.78Å; F56-Y75 HydrophobicContact CZ-CD2 4.4Å; F56-L120 HydrophobicContact CE2-CD2 4.43Å
57	H	96.7	Very high	95	Very high	60 Å²	60	59 Å²	59	28%	0.278	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	120.7	178.8	176.9	-88.9	0	0	0	109.7	I50 G59 V61	I50-H57 HydrophobicContact CB-CB 4.29Å; I50-H57 PolarHBondContact N-O 3.16Å; I50-H57 PolarHBondContact O-N 2.72Å; H57-G59 VanDerWaalsContact CE1-C 3.48Å; H57-G59 VanDerWaalsContact CE1-CA 3.42Å; H57-G59 WeakPolarHBondContact CE1-CA 3.4Å; H57-G59 PolarHBondContact CE1-N 3.01Å; H57-G59 PolarHBondContact ND1-N 2.72Å; H57-V61 VanDerWaalsContact CA-O 3.31Å; H57-V61 WeakPolarHBondContact CA-O 3.37Å; H57-V61 PolarHBondContact CD2-O 3.25Å
58	D	92.9	Very high	95.2	Very high	18 Å²	18	56.3 Å²	56.3	10%	0.096	32%	0.318	C	S	.	.			trans	-94.9	7.3	-169.9	77.7	-17.7	0	0	0	114.9	L49 H60 V61 Y63 Y75	L49-D58 HydrophobicContact CD2-CB 4.4Å; D58-H60 PolarHBondContact OD1-N 3.47Å; D58-V61 PolarHBondContact N-O 3.15Å; D58-V61 WeakPolarHBondContact OD1-CG2 3.49Å; D58-V61 PolarHBondContact OD1-N 2.8Å; D58-Y63 HydrophobicContact CB-CE1 4.47Å; D58-Y75 HydrophobicContact CB-CE1 3.98Å; D58-Y75 HydrophobicContact CB-CE2 4.26Å; D58-Y75 WeakPolarHBondContact CB-OH 3.48Å; D58-Y75 PolarHBondContact OD2-OH 2.92Å; D58-Y75 VanDerWaalsContact OD2-OH 3.11Å
59	G	86.5	Confident	95.3	Very high	32 Å²	32	54.6 Å²	54.6	33%	0.33	31%	0.309	S	S	.	.	S	Bend	trans	104.3	-16.3	-172.5	0	0	0	0	0	113.8	N48 H57	N48-G59 PolarHBondContact O-N 3.13Å; H57-G59 VanDerWaalsContact CE1-C 3.48Å; H57-G59 VanDerWaalsContact CE1-CA 3.42Å; H57-G59 WeakPolarHBondContact CE1-CA 3.4Å; H57-G59 PolarHBondContact CE1-N 3.01Å; H57-G59 PolarHBondContact ND1-N 2.72Å
60	H	88.4	Confident	95.3	Very high	158 Å²	158	56.8 Å²	56.8	73%	0.731	32%	0.319	S	S	*	.	S	Bend	trans	-130	-40.9	-179.9	-60.4	-50.7	0	0	0	113.6	D58	D58-H60 PolarHBondContact OD1-N 3.47Å
61	V	92.9	Very high	95.3	Very high	82 Å²	82	57.5 Å²	57.5	50%	0.497	32%	0.321	S	S	.	.			trans	-130.5	146	-176	-70.6	0	0	0	0	110.7	H57 D58 Y63	H57-V61 VanDerWaalsContact CA-O 3.31Å; H57-V61 WeakPolarHBondContact CA-O 3.37Å; H57-V61 PolarHBondContact CD2-O 3.25Å; D58-V61 PolarHBondContact N-O 3.15Å; D58-V61 WeakPolarHBondContact OD1-CG2 3.49Å; D58-V61 PolarHBondContact OD1-N 2.8Å; V61-Y63 HydrophobicContact CG2-CD1 4.21Å; V61-Y63 HydrophobicContact CG2-CE1 4.42Å
62	S	95.3	Very high	95.3	Very high	78 Å²	78	57.3 Å²	57.3	55%	0.545	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.3	170	-174.4	0	0	0	0	109.7	A55 F56	A55-S62 WeakPolarHBondContact CB-OG 3.45Å; F56-S62 CarbonylContact O-C 3.57Å; F56-S62 VanDerWaalsContact O-CA 3.27Å; F56-S62 WeakPolarHBondContact O-CA 3.41Å
63	Y	97.4	Very high	95.3	Very high	58 Å²	58	55.7 Å²	55.7	23%	0.227	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	150	179.1	52.1	-90.4	0	0	0	111	A55 F56 D58 V61 C65 E71 Y75	A55-Y63 CarbonylContact C-O 3.51Å; A55-Y63 VanDerWaalsContact CA-O 3.27Å; A55-Y63 WeakPolarHBondContact CA-O 3.39Å; F56-Y63 HydrophobicContact CB-CD2 4.48Å; F56-Y63 HydrophobicContact CB-CE2 3.97Å; F56-Y63 HydrophobicContact CD1-CE1 4.48Å; F56-Y63 HydrophobicContact CD1-CE2 4.47Å; F56-Y63 AromaticContact CD1-CZ 3.89Å; F56-Y63 WeakPolarHBondContact CD1-OH 3.3Å; F56-Y63 PolarHBondContact N-O 3.39Å; F56-Y63 PolarHBondContact O-N 3.49Å; D58-Y63 HydrophobicContact CB-CE1 4.47Å; V61-Y63 HydrophobicContact CG2-CD1 4.21Å; V61-Y63 HydrophobicContact CG2-CE1 4.42Å; Y63-C65 PolarHBondContact O-N 3.28Å; Y63-E71 HydrophobicContact CE2-CG 4.1Å; Y63-E71 WeakPolarHBondContact OH-CG 3.47Å; Y63-E71 PolarHBondContact OH-OE1 3.3Å; Y63-Y75 WeakPolarHBondContact OH-CE2 3.46Å; Y63-Y75 PolarHBondContact OH-OH 2.92Å; Y63-Y75 VanDerWaalsContact OH-OH 3.1Å
64	P	96.9	Very high	95.5	Very high	122 Å²	122	54.5 Å²	54.5	79%	0.792	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57	136.5	175.3	-24.1	34.3	0	0	0	111.7
65	C	96.3	Very high	95.6	Very high	15 Å²	15	55.1 Å²	55.1	10%	0.101	30%	0.297	C	S	.	.			trans	-142.5	127.3	-179.3	-178.3	0	0	0	0	110	F51 G54 F56 Y63 D67	F51-C65 HydrophobicContact CD2-CB 4.36Å; F51-C65 HydrophobicContact CE2-CB 4.13Å; F51-C65 WeakPolarHBondContact CE2-O 3.21Å; G54-C65 PolarHBondContact O-N 2.95Å; F56-C65 HydrophobicContact CB-CB 3.6Å; Y63-C65 PolarHBondContact O-N 3.28Å; C65-D67 VanDerWaalsContact SG-C 3.58Å
66	E	94.8	Very high	95.6	Very high	181 Å²	181	53.9 Å²	53.9	85%	0.846	29%	0.287	S	S	*	.	S	Bend	trans	-91.1	-28.7	177.8	-64.9	-176.1	169.6	0	0	112.4	P68	E66-P68 WeakPolarHBondContact O-CD 3.46Å
67	D	97.2	Very high	95.5	Very high	49 Å²	49	56.5 Å²	56.5	26%	0.262	30%	0.301	S	S	.	.			trans	-124.5	77	-177	-166.5	-20.9	0	0	0	110.7	C65 L69 K70 E71 Y104 K356	C65-D67 VanDerWaalsContact SG-C 3.58Å; D67-L69 PolarHBondContact O-N 2.67Å; D67-K70 HydrophobicContact CB-CB 4.21Å; D67-K70 PolarHBondContact O-N 2.87Å; D67-K70 PolarHBondContact OD1-N 2.82Å; D67-K70 VanDerWaalsContact OD1-N 3.1Å; D67-K70 VanDerWaalsContact OD2-CG 3.24Å; D67-K70 WeakPolarHBondContact OD2-CG 3.08Å; D67-E71 PolarHBondContact O-N 2.86Å; D67-Y104 HydrophobicContact CB-CE1 4.47Å; D67-Y104 PolarHBondContact OD1-OH 2.85Å; D67-K356 WeakPolarHBondContact OD1-CE 3.19Å; D67-K356 IonicContact OD1-NZ 2.74Å; D67-K356 PolarHBondContact OD1-NZ 2.65Å; D67-K356 IonicContact OD2-NZ 3.33Å; D67-K356 PolarHBondContact OD2-NZ 2.79Å
68	P	97.8	Very high	95.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.8	-23.4	-175.2	25.8	-36.6	0	0	0	113.7	F51 F56 E66 L72 V100 Y104	F51-P68 HydrophobicContact CB-CB 3.86Å; F51-P68 HydrophobicContact CD1-CB 3.75Å; F51-P68 HydrophobicContact CD1-CG 3.77Å; F51-P68 HydrophobicContact CD2-CB 3.63Å; F51-P68 HydrophobicContact CD2-CG 4.24Å; F51-P68 HydrophobicContact CE1-CB 4.15Å; F51-P68 HydrophobicContact CE1-CG 3.75Å; F51-P68 HydrophobicContact CE2-CB 4.02Å; F51-P68 HydrophobicContact CE2-CG 4.2Å; F51-P68 HydrophobicContact CG-CB 3.47Å; F51-P68 VanDerWaalsContact CG-CB 3.47Å; F51-P68 HydrophobicContact CG-CG 4.02Å; F51-P68 HydrophobicContact CZ-CB 4.25Å; F51-P68 HydrophobicContact CZ-CG 3.95Å; F56-P68 HydrophobicContact CD2-CB 4.28Å; E66-P68 WeakPolarHBondContact O-CD 3.46Å; P68-L72 WeakPolarHBondContact O-CB 3.22Å; P68-L72 PolarHBondContact O-N 3.36Å; P68-V100 HydrophobicContact CG-CG1 4.17Å; P68-Y104 WeakPolarHBondContact CD-OH 3.36Å
69	L	98	Very high	95.1	Very high	0 Å²	0	63 Å²	63	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-74.5	-41.2	177.1	-66.8	178.7	0	0	0	111.4	D67 E71 L72 E73 V96 V100 Y104 L120 M352 L355 K356	D67-L69 PolarHBondContact O-N 2.67Å; L69-E71 VanDerWaalsContact C-N 3.34Å; L69-L72 PolarHBondContact O-N 2.91Å; L69-E73 PolarHBondContact O-N 3.11Å; L69-V96 HydrophobicContact CD2-CG1 4.12Å; L69-V96 HydrophobicContact CD2-CG2 3.87Å; L69-V100 HydrophobicContact CG-CG1 4.49Å; L69-Y104 WeakPolarHBondContact CB-OH 3.4Å; L69-Y104 HydrophobicContact CD1-CE2 3.9Å; L69-Y104 HydrophobicContact CG-CE2 4.43Å; L69-Y104 VanDerWaalsContact CG-OH 3.29Å; L69-Y104 WeakPolarHBondContact CG-OH 3.4Å; L69-Y104 PolarHBondContact N-OH 3.09Å; L69-L120 HydrophobicContact CD2-CD1 3.75Å; L69-M352 HydrophobicContact CB-CB 4.23Å; L69-M352 HydrophobicContact CB-SD 4.43Å; L69-M352 HydrophobicContact CD2-SD 4.09Å; L69-M352 WeakPolarHBondContact O-CG 3.29Å; L69-L355 HydrophobicContact CD2-CD2 4.16Å; L69-K356 HydrophobicContact CD1-CB 3.83Å; L69-K356 HydrophobicContact CD1-CG 4.4Å
70	K	97	Very high	95.1	Very high	46 Å²	46	64 Å²	64	20%	0.2	34%	0.335	C	S	.	.	H	α-helix	trans	-69.3	-33.2	172.2	-73.6	-60.6	-175.5	-175	0	112.7	D67 E73 N74 T350 D353	D67-K70 HydrophobicContact CB-CB 4.21Å; D67-K70 PolarHBondContact O-N 2.87Å; D67-K70 PolarHBondContact OD1-N 2.82Å; D67-K70 VanDerWaalsContact OD1-N 3.1Å; D67-K70 VanDerWaalsContact OD2-CG 3.24Å; D67-K70 WeakPolarHBondContact OD2-CG 3.08Å; K70-E73 VanDerWaalsContact CD-OE2 3.25Å; K70-E73 WeakPolarHBondContact CD-OE2 3.42Å; K70-E73 IonicContact NZ-OE1 3.77Å; K70-E73 PolarHBondContact NZ-OE1 2.99Å; K70-E73 IonicContact NZ-OE2 2.61Å; K70-E73 PolarHBondContact NZ-OE2 2.64Å; K70-E73 WeakPolarHBondContact O-CB 2.91Å; K70-E73 PolarHBondContact O-N 2.94Å; K70-N74 VanDerWaalsContact O-CG 3.3Å; K70-N74 PolarHBondContact O-N 3.2Å; K70-N74 PolarHBondContact O-ND2 2.99Å; K70-T350 PolarHBondContact NZ-OG1 3.33Å; K70-D353 WeakPolarHBondContact CE-OD1 3.37Å; K70-D353 WeakPolarHBondContact CE-OD2 3.28Å; K70-D353 VanDerWaalsContact NZ-CG 3.29Å; K70-D353 IonicContact NZ-OD1 2.74Å; K70-D353 PolarHBondContact NZ-OD1 3.46Å; K70-D353 IonicContact NZ-OD2 3.41Å; K70-D353 PolarHBondContact NZ-OD2 3.16Å
71	E	97.5	Very high	94.9	Very high	48 Å²	48	65.3 Å²	65.3	22%	0.224	34%	0.342	C	S	.	.	H	α-helix	trans	-64.7	-44.5	173.2	-160.6	61.2	-128.7	0	0	111.2	F56 Y63 D67 L69 E73 N74 Y75	F56-E71 HydrophobicContact CB-CG 4.37Å; F56-E71 HydrophobicContact CD1-CG 3.78Å; F56-E71 HydrophobicContact CD2-CB 3.92Å; F56-E71 HydrophobicContact CD2-CG 3.95Å; F56-E71 HydrophobicContact CE1-CG 3.94Å; F56-E71 HydrophobicContact CE2-CB 3.94Å; F56-E71 HydrophobicContact CE2-CG 4.11Å; F56-E71 HydrophobicContact CG-CB 4.27Å; F56-E71 HydrophobicContact CG-CG 3.78Å; F56-E71 HydrophobicContact CZ-CB 4.29Å; F56-E71 HydrophobicContact CZ-CG 4.1Å; Y63-E71 HydrophobicContact CE2-CG 4.1Å; Y63-E71 WeakPolarHBondContact OH-CG 3.47Å; Y63-E71 PolarHBondContact OH-OE1 3.3Å; D67-E71 PolarHBondContact O-N 2.86Å; L69-E71 VanDerWaalsContact C-N 3.34Å; E71-E73 VanDerWaalsContact C-N 3.34Å; E71-E73 PolarHBondContact O-N 2.85Å; E71-N74 WeakPolarHBondContact O-CB 3.44Å; E71-N74 PolarHBondContact O-N 2.96Å; E71-Y75 HydrophobicContact CG-CE2 4.24Å; E71-Y75 VanDerWaalsContact O-CD2 3.29Å; E71-Y75 WeakPolarHBondContact O-CD2 3.18Å
72	L	97.6	Very high	94.5	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-55.5	-47.8	173	177.1	64.7	0	0	0	111.8	L49 P68 L69 N74 Y75 V76 A92 L120 F122 M352	L49-L72 HydrophobicContact CB-CD1 4.34Å; L49-L72 HydrophobicContact CD1-CD1 3.54Å; P68-L72 WeakPolarHBondContact O-CB 3.22Å; P68-L72 PolarHBondContact O-N 3.36Å; L69-L72 PolarHBondContact O-N 2.91Å; L72-N74 VanDerWaalsContact C-N 3.3Å; L72-N74 PolarHBondContact O-N 3.18Å; L72-Y75 PolarHBondContact O-N 3.18Å; L72-Y75 VanDerWaalsContact O-N 3.14Å; L72-V76 HydrophobicContact CD1-CG2 3.96Å; L72-V76 HydrophobicContact CG-CG2 4.26Å; L72-V76 VanDerWaalsContact O-CG2 3.25Å; L72-V76 WeakPolarHBondContact O-CG2 3.35Å; L72-V76 PolarHBondContact O-N 2.82Å; L72-A92 HydrophobicContact CD1-CB 4.1Å; L72-L120 HydrophobicContact CD2-CD1 4.29Å; L72-F122 HydrophobicContact CD1-CB 3.99Å; L72-F122 HydrophobicContact CD1-CD2 4.29Å; L72-F122 HydrophobicContact CD1-CG 4.15Å; L72-F122 HydrophobicContact CD2-CD1 4.41Å; L72-F122 HydrophobicContact CD2-CD2 3.67Å; L72-F122 HydrophobicContact CD2-CE1 4.46Å; L72-F122 HydrophobicContact CD2-CE2 3.73Å; L72-F122 HydrophobicContact CD2-CG 4.03Å; L72-F122 HydrophobicContact CD2-CZ 4.13Å; L72-M352 HydrophobicContact CD2-SD 4.13Å
73	E	96.9	Very high	93.9	Very high	24 Å²	24	65.4 Å²	65.4	11%	0.112	33%	0.328	C	S	.	.	H	α-helix	trans	-52.5	-45.1	177.7	-176.4	-175.6	130.8	0	0	112.5	L69 K70 E71 Y75 V76 L77 T350 M352	L69-E73 PolarHBondContact O-N 3.11Å; K70-E73 VanDerWaalsContact CD-OE2 3.25Å; K70-E73 WeakPolarHBondContact CD-OE2 3.42Å; K70-E73 IonicContact NZ-OE1 3.77Å; K70-E73 PolarHBondContact NZ-OE1 2.99Å; K70-E73 IonicContact NZ-OE2 2.61Å; K70-E73 PolarHBondContact NZ-OE2 2.64Å; K70-E73 WeakPolarHBondContact O-CB 2.91Å; K70-E73 PolarHBondContact O-N 2.94Å; E71-E73 VanDerWaalsContact C-N 3.34Å; E71-E73 PolarHBondContact O-N 2.85Å; E73-Y75 PolarHBondContact O-N 3.19Å; E73-V76 PolarHBondContact O-N 2.85Å; E73-L77 HydrophobicContact CG-CD1 3.39Å; E73-L77 HydrophobicContact CG-CG 3.71Å; E73-L77 PolarHBondContact O-N 3.24Å; E73-T350 VanDerWaalsContact OE1-CG2 3.24Å; E73-T350 WeakPolarHBondContact OE1-CG2 3.36Å; E73-T350 WeakPolarHBondContact OE2-CB 3.41Å; E73-T350 PolarHBondContact OE2-OG1 3.11Å; E73-M352 HydrophobicContact CB-CG 4.08Å
74	N	96	Very high	92.8	Very high	110 Å²	110	71.9 Å²	71.9	59%	0.588	36%	0.36	S	S	*	.	H	α-helix	trans	-60.2	-29.7	-178.8	-68.3	-28.8	0	0	0	113.6	K70 E71 L72	K70-N74 VanDerWaalsContact O-CG 3.3Å; K70-N74 PolarHBondContact O-N 3.2Å; K70-N74 PolarHBondContact O-ND2 2.99Å; E71-N74 WeakPolarHBondContact O-CB 3.44Å; E71-N74 PolarHBondContact O-N 2.96Å; L72-N74 VanDerWaalsContact C-N 3.3Å; L72-N74 PolarHBondContact O-N 3.18Å
75	Y	96	Very high	92	Very high	51 Å²	51	73.6 Å²	73.6	20%	0.2	36%	0.363	C	S	.	.	H	α-helix	trans	-85.6	-22.4	177	-74.4	-81.6	0	0	0	113.2	K47 L49 F56 D58 Y63 E71 L72 E73	K47-Y75 HydrophobicContact CD-CD1 4.28Å; L49-Y75 HydrophobicContact CD1-CG 4.3Å; L49-Y75 HydrophobicContact CD2-CD1 4.36Å; L49-Y75 HydrophobicContact CD2-CD2 4.27Å; L49-Y75 HydrophobicContact CD2-CG 4.1Å; F56-Y75 HydrophobicContact CD1-CE2 4.44Å; F56-Y75 HydrophobicContact CE1-CD2 4.06Å; F56-Y75 AromaticContact CE1-CE2 3.78Å; F56-Y75 HydrophobicContact CE1-CE2 3.78Å; F56-Y75 HydrophobicContact CZ-CD2 4.4Å; D58-Y75 HydrophobicContact CB-CE1 3.98Å; D58-Y75 HydrophobicContact CB-CE2 4.26Å; D58-Y75 WeakPolarHBondContact CB-OH 3.48Å; D58-Y75 PolarHBondContact OD2-OH 2.92Å; D58-Y75 VanDerWaalsContact OD2-OH 3.11Å; Y63-Y75 WeakPolarHBondContact OH-CE2 3.46Å; Y63-Y75 PolarHBondContact OH-OH 2.92Å; Y63-Y75 VanDerWaalsContact OH-OH 3.1Å; E71-Y75 HydrophobicContact CG-CE2 4.24Å; E71-Y75 VanDerWaalsContact O-CD2 3.29Å; E71-Y75 WeakPolarHBondContact O-CD2 3.18Å; L72-Y75 PolarHBondContact O-N 3.18Å; L72-Y75 VanDerWaalsContact O-N 3.14Å; E73-Y75 PolarHBondContact O-N 3.19Å
76	V	97	Very high	91.6	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-98.5	-44	-169.3	177.8	0	0	0	0	112.5	L72 E73 V78 A92 L124 Y146 L394 Q396	L72-V76 HydrophobicContact CD1-CG2 3.96Å; L72-V76 HydrophobicContact CG-CG2 4.26Å; L72-V76 VanDerWaalsContact O-CG2 3.25Å; L72-V76 WeakPolarHBondContact O-CG2 3.35Å; L72-V76 PolarHBondContact O-N 2.82Å; E73-V76 PolarHBondContact O-N 2.85Å; V76-V78 PolarHBondContact O-N 3.46Å; V76-A92 HydrophobicContact CG1-CB 4.3Å; V76-A92 HydrophobicContact CG2-CB 3.39Å; V76-L124 HydrophobicContact CB-CD1 4.42Å; V76-L124 HydrophobicContact CG2-CD1 3.85Å; V76-Y146 PolarHBondContact O-OH 3.44Å; V76-L394 HydrophobicContact CB-CD2 3.92Å; V76-L394 HydrophobicContact CB-CG 4.37Å; V76-L394 HydrophobicContact CG1-CB 4.28Å; V76-L394 HydrophobicContact CG1-CD2 3.85Å; V76-L394 HydrophobicContact CG1-CG 3.73Å; V76-L394 WeakPolarHBondContact CG1-O 2.97Å; V76-L394 HydrophobicContact CG2-CD2 4.26Å; V76-Q396 WeakPolarHBondContact O-CA 3.41Å; V76-Q396 WeakPolarHBondContact O-CB 3.49Å
77	L	96.2	Very high	91.2	Very high	55 Å²	55	67.5 Å²	67.5	29%	0.288	33%	0.334	S	S	.	.			trans	-71.4	131.2	-173.7	-60.8	-169.3	0	0	0	111.2	E73 T350 L394 D398	E73-L77 HydrophobicContact CG-CD1 3.39Å; E73-L77 HydrophobicContact CG-CG 3.71Å; E73-L77 PolarHBondContact O-N 3.24Å; L77-T350 HydrophobicContact CD1-CG2 4.48Å; L77-L394 HydrophobicContact CD2-CD1 4.42Å; L77-D398 HydrophobicContact CD1-CB 4.21Å; L77-D398 HydrophobicContact CD2-CB 3.73Å
78	V	93	Very high	91	Very high	40 Å²	40	65.3 Å²	65.3	24%	0.242	32%	0.322	C	S	.	.			trans	-135.2	130.6	178.2	-171.3	0	0	0	0	109.1	V76 E80 Y146 Q396	V76-V78 PolarHBondContact O-N 3.46Å; V78-E80 HydrophobicContact CG1-CB 4.47Å; V78-E80 HydrophobicContact CG1-CG 3.82Å; V78-E80 PolarHBondContact O-N 2.51Å; V78-Y146 HydrophobicContact CG2-CD1 4.32Å; V78-Y146 HydrophobicContact CG2-CE1 3.62Å; V78-Q396 HydrophobicContact CB-CB 4.43Å; V78-Q396 HydrophobicContact CG2-CB 4.43Å; V78-Q396 PolarHBondContact N-O 2.94Å
79	D	88.3	Confident	90.8	Very high	173 Å²	173	65.5 Å²	65.5	93%	0.925	32%	0.323	S	S	*	.			trans	-76.2	86.1	172.8	-170.2	14.5	0	0	0	110
80	E	86.8	Confident	90.6	Very high	55 Å²	55	65.6 Å²	65.6	26%	0.257	32%	0.324	S	S	.	.			trans	-134.3	147	177	-83.3	-174	-178.5	0	0	111.1	V78 E82 S145	V78-E80 HydrophobicContact CG1-CB 4.47Å; V78-E80 HydrophobicContact CG1-CG 3.82Å; V78-E80 PolarHBondContact O-N 2.51Å; E80-E82 PolarHBondContact O-N 3.29Å; E80-S145 VanDerWaalsContact CD-OG 3.26Å; E80-S145 PolarHBondContact OE1-OG 3.28Å; E80-S145 PolarHBondContact OE2-OG 2.71Å
81	E	84.3	Confident	90.6	Very high	185 Å²	185	63.4 Å²	63.4	86%	0.864	31%	0.314	S	S	*	.			trans	-60.4	121.9	178	-173.4	177.9	-169.2	0	0	111.7	R2	R2-E81 PolarHBondContact NH2-O 3.46Å
82	E	83.7	Confident	90.7	Very high	100 Å²	100	61.1 Å²	61.1	47%	0.467	30%	0.304	S	S	.	.			trans	-66.2	149.2	-179.6	-65.1	-171.6	-141.6	0	0	112.6	E80 N397	E80-E82 PolarHBondContact O-N 3.29Å; E82-N397 HydrophobicContact CG-CB 4.01Å; E82-N397 PolarHBondContact OE2-ND2 3.44Å
83	Q	82.8	Confident	90.7	Very high	62 Å²	62	61.1 Å²	61.1	29%	0.29	30%	0.304	S	S	.	.			trans	-101.1	111.6	169.7	-76.5	-177.3	-10	0	0	109.2	R2 T4 N85 L86 Q89	R2-Q83 VanDerWaalsContact NH1-CG 3.26Å; T4-Q83 VanDerWaalsContact CG2-OE1 3.27Å; Q83-N85 PolarHBondContact O-N 3.45Å; Q83-L86 HydrophobicContact CB-CD1 4.07Å; Q83-L86 HydrophobicContact CB-CG 4.11Å; Q83-L86 PolarHBondContact O-N 3Å; Q83-Q89 VanDerWaalsContact N-NE2 3.17Å; Q83-Q89 PolarHBondContact O-NE2 3.16Å
84	E	75.6	Confident	90.8	Very high	194 Å²	194	60 Å²	60	91%	0.907	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-27.3	-169.4	-67	-176.4	164.4	0	0	114.9
85	N	79.3	Confident	90.9	Very high	157 Å²	157	54.7 Å²	54.7	84%	0.84	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	1.7	-175.7	-64.7	-32.6	0	0	0	114.6	Q83	Q83-N85 PolarHBondContact O-N 3.45Å
86	L	87.2	Confident	91	Very high	15 Å²	15	52.3 Å²	52.3	8%	0.079	26%	0.261	C	S	.	.			trans	-105.3	115.9	179.8	-60.3	-174.1	0	0	0	110.9	T4 Q83 F88 Q89 I130 T139 V141	T4-L86 HydrophobicContact CG2-CD1 4.24Å; Q83-L86 HydrophobicContact CB-CD1 4.07Å; Q83-L86 HydrophobicContact CB-CG 4.11Å; Q83-L86 PolarHBondContact O-N 3Å; L86-F88 PolarHBondContact O-N 2.81Å; L86-Q89 PolarHBondContact O-NE2 3.39Å; L86-I130 HydrophobicContact CB-CD1 4.33Å; L86-I130 HydrophobicContact CD2-CD1 4.03Å; L86-T139 HydrophobicContact CD2-CG2 3.94Å; L86-V141 HydrophobicContact CD1-CG1 4.34Å; L86-V141 HydrophobicContact CD1-CG2 4.01Å; L86-V141 HydrophobicContact CD2-CG2 4.19Å
87	I	88.2	Confident	91.1	Very high	54 Å²	54	52.3 Å²	52.3	28%	0.277	26%	0.261	S	S	.	.	S	Bend	trans	-65.1	-19.4	172.6	57.1	171.8	0	0	0	113.6	Y38 I40 I130	Y38-I87 HydrophobicContact CD1-CD1 3.43Å; Y38-I87 VanDerWaalsContact CD1-CD1 3.43Å; Y38-I87 HydrophobicContact CD2-CD1 3.15Å; Y38-I87 HydrophobicContact CE1-CD1 3.62Å; Y38-I87 HydrophobicContact CE2-CD1 3.39Å; Y38-I87 HydrophobicContact CG-CD1 3.18Å; I40-I87 HydrophobicContact CG1-CD1 4.49Å; I87-I130 HydrophobicContact CD1-CG2 3.72Å; I87-I130 HydrophobicContact CG1-CD1 3.81Å; I87-I130 HydrophobicContact CG1-CG1 4.18Å; I87-I130 HydrophobicContact CG1-CG2 3.95Å
88	F	92.8	Very high	91.1	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.009	25%	0.247	C	C	.	.			trans	-137.4	122.2	176.7	-179.8	-115.5	0	0	0	107.7	I40 L86 G90 Y128 I130 F393	I40-F88 HydrophobicContact CD1-CB 3.73Å; I40-F88 HydrophobicContact CD1-CD2 4.5Å; I40-F88 HydrophobicContact CD1-CG 4.05Å; I40-F88 HydrophobicContact CG1-CB 4.3Å; I40-F88 HydrophobicContact CG2-CD1 3.86Å; I40-F88 HydrophobicContact CG2-CE1 4.26Å; I40-F88 HydrophobicContact CG2-CG 4.39Å; L86-F88 PolarHBondContact O-N 2.81Å; F88-G90 VanDerWaalsContact CZ-C 3.41Å; F88-Y128 HydrophobicContact CD1-CD1 4.14Å; F88-Y128 AromaticContact CD1-CD2 3.86Å; F88-Y128 HydrophobicContact CD1-CD2 3.86Å; F88-Y128 HydrophobicContact CD1-CE1 4.23Å; F88-Y128 AromaticContact CD1-CE2 3.91Å; F88-Y128 HydrophobicContact CD1-CE2 3.91Å; F88-Y128 AromaticContact CD1-CG 3.97Å; F88-Y128 HydrophobicContact CD1-CG 3.97Å; F88-Y128 HydrophobicContact CE1-CD1 4.03Å; F88-Y128 HydrophobicContact CE1-CD2 4.49Å; F88-Y128 HydrophobicContact CE1-CE1 4.31Å; F88-Y128 HydrophobicContact CE1-CG 4.13Å; F88-Y128 WeakPolarHBondContact O-CE2 3.42Å; F88-Y128 VanDerWaalsContact O-CZ 3.25Å; F88-Y128 PolarHBondContact O-OH 2.89Å; F88-I130 HydrophobicContact CB-CD1 4.29Å; F88-F393 AromaticContact CD2-CD2 3.69Å; F88-F393 HydrophobicContact CD2-CD2 3.69Å; F88-F393 AromaticContact CD2-CE2 3.99Å; F88-F393 HydrophobicContact CD2-CE2 3.99Å; F88-F393 HydrophobicContact CD2-CG 4.13Å; F88-F393 HydrophobicContact CE2-CB 4.15Å; F88-F393 AromaticContact CE2-CD2 3.87Å; F88-F393 HydrophobicContact CE2-CD2 3.87Å; F88-F393 HydrophobicContact CE2-CG 4.15Å
89	Q	92.9	Very high	91.3	Very high	5 Å²	5	47.9 Å²	47.9	2%	0.023	24%	0.236	C	C	.	.			trans	-93.2	4.5	-174	-59.1	-70.5	-0.9	0	0	112.8	Q83 L86 Y128 Q396 N397	Q83-Q89 VanDerWaalsContact N-NE2 3.17Å; Q83-Q89 PolarHBondContact O-NE2 3.16Å; L86-Q89 PolarHBondContact O-NE2 3.39Å; Q89-Y128 WeakPolarHBondContact CA-OH 3.43Å; Q89-Y128 PolarHBondContact O-OH 3.22Å; Q89-Q396 HydrophobicContact CB-CG 3.8Å; Q89-Q396 PolarHBondContact O-NE2 3.37Å; Q89-Q396 PolarHBondContact O-OE1 3Å; Q89-N397 HydrophobicContact CG-CB 4.42Å
90	G	94.6	Very high	91.8	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.01	19%	0.192	C	C	.	.	S	Bend	trans	95.6	162.2	-158	0	0	0	0	0	110.1	F88 Y125 Y128 G395 Q396	F88-G90 VanDerWaalsContact CZ-C 3.41Å; G90-Y125 WeakPolarHBondContact CA-O 3.29Å; G90-Y128 PolarHBondContact N-OH 2.87Å; G90-G395 CarbonylContact O-C 3.53Å; G90-G395 WeakPolarHBondContact O-CA 3.45Å; G90-Q396 PolarHBondContact O-N 3.14Å
91	G	97.1	Very high	92.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.6	-163.1	-173.6	0	0	0	0	0	113.6	Y125 Y146 L394	G91-Y125 PolarHBondContact N-O 3.04Å; G91-Y125 PolarHBondContact O-N 3.01Å; G91-Y146 WeakPolarHBondContact CA-OH 3.23Å; G91-L394 CarbonylContact C-O 3.5Å; G91-L394 WeakPolarHBondContact CA-O 3.41Å
92	A	97.9	Very high	92.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	133.6	179.6	0	0	0	0	0	111.7	L72 V76 F122 Y123 L124 F393 L394	L72-A92 HydrophobicContact CD1-CB 4.1Å; V76-A92 HydrophobicContact CG1-CB 4.3Å; V76-A92 HydrophobicContact CG2-CB 3.39Å; A92-F122 HydrophobicContact CB-CB 4Å; A92-F122 HydrophobicContact CB-CD1 3.73Å; A92-F122 HydrophobicContact CB-CG 4.16Å; A92-Y123 CarbonylContact C-O 3.49Å; A92-Y123 VanDerWaalsContact CA-O 3.24Å; A92-Y123 WeakPolarHBondContact CA-O 3.48Å; A92-L124 HydrophobicContact CB-CD1 4.49Å; A92-F393 CarbonylContact O-C 3.52Å; A92-F393 WeakPolarHBondContact O-CA 3.44Å; A92-F393 VanDerWaalsContact O-CB 3.29Å; A92-F393 WeakPolarHBondContact O-CB 3.46Å; A92-L394 PolarHBondContact N-O 3.16Å; A92-L394 PolarHBondContact O-N 2.95Å
93	L	98.1	Very high	93.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	132.3	172.4	-176.1	132.9	0	0	0	110	F29 Y123 Y125 L242 F393	F29-L93 HydrophobicContact CB-CD1 3.64Å; F29-L93 HydrophobicContact CG-CD1 4.27Å; L93-Y123 PolarHBondContact N-O 3.47Å; L93-Y123 PolarHBondContact O-N 3.28Å; L93-Y125 HydrophobicContact CB-CD2 4.14Å; L93-Y125 HydrophobicContact CB-CE2 4.01Å; L93-Y125 HydrophobicContact CD2-CE2 4.44Å; L93-L242 HydrophobicContact CD2-CD2 3.52Å; L93-L242 HydrophobicContact CG-CD2 4.48Å; L93-F393 HydrophobicContact CB-CB 4.14Å; L93-F393 HydrophobicContact CD1-CB 3.91Å; L93-F393 HydrophobicContact CD1-CD1 4.47Å; L93-F393 HydrophobicContact CG-CB 4.28Å
94	G	98.3	Very high	93.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.3	-153	-165.5	0	0	0	0	0	114.8	Q121 F122 G392	G94-Q121 WeakPolarHBondContact CA-O 3.46Å; G94-F122 VanDerWaalsContact CA-CD1 3.46Å; G94-G392 PolarHBondContact N-O 3.42Å; G94-G392 PolarHBondContact O-N 3.32Å
95	Y	98.5	Very high	94.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	155	179.6	71.7	-96	0	0	0	113.6	P118 L120 Q121 F122 L242 F244 V249 I386 A390	Y95-P118 WeakPolarHBondContact CE2-O 3.4Å; Y95-P118 PolarHBondContact OH-O 3.41Å; Y95-L120 WeakPolarHBondContact O-CA 3.48Å; Y95-Q121 HydrophobicContact CD1-CB 4.4Å; Y95-Q121 HydrophobicContact CE1-CB 3.67Å; Y95-Q121 HydrophobicContact CE2-CB 4.43Å; Y95-Q121 PolarHBondContact N-O 3.22Å; Y95-Q121 PolarHBondContact O-N 3.33Å; Y95-Q121 VanDerWaalsContact O-N 3.09Å; Y95-F122 VanDerWaalsContact C-CE2 3.49Å; Y95-F122 WeakPolarHBondContact O-CE2 3.31Å; Y95-L242 HydrophobicContact CD1-CD1 4.35Å; Y95-F244 HydrophobicContact CD1-CD2 4.45Å; Y95-F244 AromaticContact CD1-CE2 3.66Å; Y95-F244 HydrophobicContact CD1-CE2 3.66Å; Y95-F244 HydrophobicContact CD1-CZ 4.27Å; Y95-F244 HydrophobicContact CE1-CD2 4.04Å; Y95-F244 AromaticContact CE1-CE2 3.65Å; Y95-F244 HydrophobicContact CE1-CE2 3.65Å; Y95-F244 HydrophobicContact CE1-CZ 4.35Å; Y95-V249 HydrophobicContact CD1-CG2 4.08Å; Y95-V249 HydrophobicContact CE1-CG2 4.19Å; Y95-I386 HydrophobicContact CD1-CD1 4.38Å; Y95-I386 HydrophobicContact CD2-CD1 4.39Å; Y95-I386 HydrophobicContact CD2-CG1 3.73Å; Y95-I386 HydrophobicContact CE1-CD1 4.05Å; Y95-I386 HydrophobicContact CE1-CG1 4.41Å; Y95-I386 HydrophobicContact CE2-CD1 4.07Å; Y95-I386 HydrophobicContact CE2-CG1 3.57Å; Y95-I386 HydrophobicContact CG-CG1 4.25Å; Y95-A390 CarbonylContact C-O 3.55Å; Y95-A390 WeakPolarHBondContact CA-O 3.41Å; Y95-A390 WeakPolarHBondContact CB-O 3.35Å
96	V	98.6	Very high	95.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	117.2	166.7	-174.4	0	0	0	0	107.6	L69 V100 L120 F122 L355 L359 G389 A390	L69-V96 HydrophobicContact CD2-CG1 4.12Å; L69-V96 HydrophobicContact CD2-CG2 3.87Å; V96-V100 HydrophobicContact CG1-CB 3.74Å; V96-V100 HydrophobicContact CG1-CG1 3.83Å; V96-V100 HydrophobicContact CG1-CG2 3.74Å; V96-L120 HydrophobicContact CG2-CD1 3.96Å; V96-L120 HydrophobicContact CG2-CG 4.3Å; V96-F122 HydrophobicContact CG2-CE2 3.63Å; V96-F122 HydrophobicContact CG2-CZ 3.91Å; V96-L355 HydrophobicContact CB-CD2 4.49Å; V96-L355 HydrophobicContact CG2-CD2 3.77Å; V96-L359 HydrophobicContact CG1-CD2 3.6Å; V96-G389 CarbonylContact O-C 3.56Å; V96-G389 VanDerWaalsContact O-CA 3.25Å; V96-G389 WeakPolarHBondContact O-CA 3.4Å; V96-A390 HydrophobicContact CB-CB 4.32Å; V96-A390 PolarHBondContact N-O 3.24Å; V96-A390 PolarHBondContact O-N 3.35Å
97	G	98.1	Very high	95.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.115	C	C	.	.			trans	-68.2	159.3	178.1	0	0	0	0	0	112.8	D99 V100 D119 S385	G97-D99 PolarHBondContact O-N 2.99Å; G97-V100 WeakPolarHBondContact O-CB 3.46Å; G97-V100 PolarHBondContact O-N 2.92Å; G97-D119 WeakPolarHBondContact CA-O 3.46Å; G97-D119 PolarHBondContact N-O 3Å; G97-S385 CarbonylContact C-O 3.6Å; G97-S385 WeakPolarHBondContact CA-O 3.47Å
98	Y	98.2	Very high	96.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-55.3	-40.7	176.9	174.8	-86.4	0	0	0	112.3	V100 A101 P360 M373 Y377 R384 S385 Y387 A388	Y98-V100 PolarHBondContact O-N 3.21Å; Y98-A101 WeakPolarHBondContact O-CB 3.4Å; Y98-A101 PolarHBondContact O-N 2.89Å; Y98-P360 HydrophobicContact CD2-CB 3.7Å; Y98-P360 HydrophobicContact CD2-CG 3.93Å; Y98-P360 HydrophobicContact CE2-CB 3.81Å; Y98-P360 HydrophobicContact CE2-CG 3.58Å; Y98-M373 HydrophobicContact CE1-CE 4.47Å; Y98-M373 WeakPolarHBondContact OH-CG 3.27Å; Y98-Y377 HydrophobicContact CD1-CE1 4.28Å; Y98-Y377 HydrophobicContact CE1-CD1 4.44Å; Y98-Y377 AromaticContact CE1-CE1 3.75Å; Y98-Y377 HydrophobicContact CE1-CE1 3.75Å; Y98-R384 HydrophobicContact CD1-CB 3.99Å; Y98-R384 HydrophobicContact CD1-CG 4.29Å; Y98-R384 VanDerWaalsContact CE2-NH1 3.29Å; Y98-R384 HydrophobicContact CG-CB 4.03Å; Y98-R384 HydrophobicContact CG-CG 4.47Å; Y98-S385 PolarHBondContact N-O 3.42Å; Y98-Y387 VanDerWaalsContact CB-O 3.3Å; Y98-Y387 WeakPolarHBondContact CB-O 3.4Å; Y98-A388 HydrophobicContact CD2-CB 3.67Å; Y98-A388 HydrophobicContact CE2-CB 4.3Å; Y98-A388 HydrophobicContact CG-CB 4.49Å
99	D	97.1	Very high	96.2	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.016	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-73.2	-11.2	-172.5	-54.3	-75.6	0	0	0	113.6	G97 A101 A102 Y377 K383 S385	G97-D99 PolarHBondContact O-N 2.99Å; D99-A101 PolarHBondContact O-N 3.5Å; D99-A102 VanDerWaalsContact O-CB 3.28Å; D99-A102 WeakPolarHBondContact O-CB 3.26Å; D99-A102 PolarHBondContact O-N 2.95Å; D99-Y377 WeakPolarHBondContact OD1-CE1 3.39Å; D99-Y377 PolarHBondContact OD1-OH 3.06Å; D99-K383 HydrophobicContact CB-CG 4.46Å; D99-K383 VanDerWaalsContact CG-CG 3.42Å; D99-K383 VanDerWaalsContact OD2-CE 3.27Å; D99-K383 WeakPolarHBondContact OD2-CE 3.35Å; D99-K383 WeakPolarHBondContact OD2-CG 3.41Å; D99-S385 VanDerWaalsContact OD2-CA 3.31Å; D99-S385 WeakPolarHBondContact OD2-CA 3.25Å; D99-S385 PolarHBondContact OD2-N 3.48Å
100	V	97.5	Very high	96.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-59.2	-26.5	169.8	172.8	0	0	0	0	111.2	P68 L69 V96 G97 Y98 A102 C103 Y104 D119 L120 L359	P68-V100 HydrophobicContact CG-CG1 4.17Å; L69-V100 HydrophobicContact CG-CG1 4.49Å; V96-V100 HydrophobicContact CG1-CB 3.74Å; V96-V100 HydrophobicContact CG1-CG1 3.83Å; V96-V100 HydrophobicContact CG1-CG2 3.74Å; G97-V100 WeakPolarHBondContact O-CB 3.46Å; G97-V100 PolarHBondContact O-N 2.92Å; Y98-V100 PolarHBondContact O-N 3.21Å; V100-A102 PolarHBondContact O-N 2.82Å; V100-C103 VanDerWaalsContact O-CB 3.28Å; V100-C103 WeakPolarHBondContact O-CB 3.45Å; V100-C103 PolarHBondContact O-N 3.21Å; V100-C103 PolarHBondContact O-SG 3.28Å; V100-Y104 HydrophobicContact CG1-CE2 3.88Å; V100-D119 HydrophobicContact CG2-CB 3.82Å; V100-D119 WeakPolarHBondContact CG2-O 3.4Å; V100-L120 HydrophobicContact CG2-CB 4.27Å; V100-L359 HydrophobicContact CB-CD2 4.21Å; V100-L359 HydrophobicContact CG1-CD2 4.35Å
101	A	96.2	Very high	96.3	Very high	5 Å²	5	31.4 Å²	31.4	4%	0.041	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-58.8	-27	174.1	0	0	0	0	0	113.2	Y98 D99 C103 Y104 E105 I107 M373	Y98-A101 WeakPolarHBondContact O-CB 3.4Å; Y98-A101 PolarHBondContact O-N 2.89Å; D99-A101 PolarHBondContact O-N 3.5Å; A101-C103 PolarHBondContact O-N 3.24Å; A101-Y104 PolarHBondContact O-N 2.74Å; A101-E105 PolarHBondContact O-N 3.01Å; A101-I107 HydrophobicContact CB-CD1 3.98Å; A101-M373 HydrophobicContact CB-CE 3.61Å
102	A	95.6	Very high	96.3	Very high	34 Å²	34	38.3 Å²	38.3	28%	0.281	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-67.6	-13.6	175.1	0	0	0	0	0	113.9	D99 V100 Y104 I107 I110	D99-A102 VanDerWaalsContact O-CB 3.28Å; D99-A102 WeakPolarHBondContact O-CB 3.26Å; D99-A102 PolarHBondContact O-N 2.95Å; V100-A102 PolarHBondContact O-N 2.82Å; A102-Y104 VanDerWaalsContact C-N 3.29Å; A102-I107 HydrophobicContact CB-CD1 4.37Å; A102-I110 HydrophobicContact CB-CD1 4.46Å
103	C	95.8	Very high	96.2	Very high	53 Å²	53	40.8 Å²	40.8	36%	0.358	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-73.1	-23.3	170.8	-57.9	0	0	0	0	112.3	V100 A101	V100-C103 VanDerWaalsContact O-CB 3.28Å; V100-C103 WeakPolarHBondContact O-CB 3.45Å; V100-C103 PolarHBondContact O-N 3.21Å; V100-C103 PolarHBondContact O-SG 3.28Å; A101-C103 PolarHBondContact O-N 3.24Å
104	Y	95.4	Very high	95.9	Very high	60 Å²	60	46 Å²	46	24%	0.235	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-23	-172.2	-47.6	-61.6	0	0	0	113.5	D67 P68 L69 V100 A101 A102 K356	D67-Y104 HydrophobicContact CB-CE1 4.47Å; D67-Y104 PolarHBondContact OD1-OH 2.85Å; P68-Y104 WeakPolarHBondContact CD-OH 3.36Å; L69-Y104 WeakPolarHBondContact CB-OH 3.4Å; L69-Y104 HydrophobicContact CD1-CE2 3.9Å; L69-Y104 HydrophobicContact CG-CE2 4.43Å; L69-Y104 VanDerWaalsContact CG-OH 3.29Å; L69-Y104 WeakPolarHBondContact CG-OH 3.4Å; L69-Y104 PolarHBondContact N-OH 3.09Å; V100-Y104 HydrophobicContact CG1-CE2 3.88Å; A101-Y104 PolarHBondContact O-N 2.74Å; A102-Y104 VanDerWaalsContact C-N 3.29Å; Y104-K356 HydrophobicContact CD1-CD 3.84Å; Y104-K356 HydrophobicContact CD1-CG 4.24Å; Y104-K356 HydrophobicContact CD2-CD 4.31Å; Y104-K356 HydrophobicContact CD2-CG 3.8Å; Y104-K356 HydrophobicContact CE1-CD 3.86Å; Y104-K356 HydrophobicContact CE1-CG 4.35Å; Y104-K356 HydrophobicContact CE2-CD 4.32Å; Y104-K356 HydrophobicContact CE2-CG 3.91Å; Y104-K356 HydrophobicContact CG-CD 4.08Å; Y104-K356 HydrophobicContact CG-CG 3.98Å; Y104-K356 VanDerWaalsContact CZ-CE 3.48Å
105	E	94.7	Very high	95.7	Very high	75 Å²	75	46.6 Å²	46.6	35%	0.35	26%	0.263	S	S	.	.	S	Bend	trans	-131.4	140.5	-175.2	-61.4	-70.6	-174.8	0	0	111.2	A101 I107 I370	A101-E105 PolarHBondContact O-N 3.01Å; E105-I107 HydrophobicContact CB-CD1 3.84Å; E105-I107 HydrophobicContact CB-CG1 3.93Å; E105-I107 PolarHBondContact O-N 3.44Å; E105-I370 HydrophobicContact CG-CD1 4.45Å; E105-I370 HydrophobicContact CG-CG1 4.33Å; E105-I370 VanDerWaalsContact OE2-CD1 3.28Å; E105-I370 WeakPolarHBondContact OE2-CD1 3.34Å
106	A	94	Very high	95.5	Very high	97 Å²	97	48.5 Å²	48.5	80%	0.802	28%	0.282	S	S	*	.			trans	-78.5	81.6	179	0	0	0	0	0	111.6
107	I	93.5	Very high	95.4	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.015	28%	0.283	C	S	.	.			trans	-93.2	-11.9	-173.1	-59.9	145.6	0	0	0	112.9	A101 A102 E105 M373 T374 Y377	A101-I107 HydrophobicContact CB-CD1 3.98Å; A102-I107 HydrophobicContact CB-CD1 4.37Å; E105-I107 HydrophobicContact CB-CD1 3.84Å; E105-I107 HydrophobicContact CB-CG1 3.93Å; E105-I107 PolarHBondContact O-N 3.44Å; I107-M373 HydrophobicContact CD1-CE 3.2Å; I107-M373 HydrophobicContact CD1-SD 4.47Å; I107-M373 HydrophobicContact CG1-CB 4.34Å; I107-M373 HydrophobicContact CG1-CE 3.82Å; I107-M373 HydrophobicContact CG2-CB 3.63Å; I107-M373 HydrophobicContact CG2-CE 4.38Å; I107-T374 WeakPolarHBondContact O-CA 3.47Å; I107-Y377 HydrophobicContact CB-CD2 4.28Å; I107-Y377 HydrophobicContact CB-CE2 4.17Å; I107-Y377 HydrophobicContact CG2-CD2 3.64Å; I107-Y377 HydrophobicContact CG2-CE2 3.79Å; I107-Y377 HydrophobicContact CG2-CG 4.02Å
108	G	93.6	Very high	95.4	Very high	58 Å²	58	49.2 Å²	49.2	60%	0.598	29%	0.287	S	S	*	.			trans	111.4	-161.2	178.1	0	0	0	0	0	113.1
109	E	94	Very high	95.3	Very high	178 Å²	178	49.8 Å²	49.8	83%	0.832	29%	0.29	S	S	*	.	S	Bend	trans	-77.2	128.6	179.3	-169.8	176.3	-179.6	0	0	110.2	Y377	E109-Y377 WeakPolarHBondContact O-CD2 2.94Å
110	I	94.3	Very high	95.4	Very high	75 Å²	75	49.7 Å²	49.7	39%	0.385	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-66.5	128.9	178.5	-59.1	175.9	0	0	0	108.4	A102 Y377 K383	A102-I110 HydrophobicContact CB-CD1 4.46Å; I110-Y377 HydrophobicContact CB-CE2 4.41Å; I110-Y377 HydrophobicContact CG1-CE2 3.87Å; I110-K383 HydrophobicContact CG2-CB 4.26Å; I110-K383 HydrophobicContact CG2-CD 3.88Å; I110-K383 HydrophobicContact CG2-CG 3.83Å
111	P	95.7	Very high	95.4	Very high	18 Å²	18	50 Å²	50	12%	0.117	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-60.6	170.2	176.4	-22.6	32.7	0	0	0	112.6	D113 Y377	P111-D113 PolarHBondContact O-N 3.31Å; P111-D113 VanDerWaalsContact O-N 3.11Å; P111-Y377 HydrophobicContact CG-CD1 4.02Å; P111-Y377 HydrophobicContact CG-CG 4.26Å
112	K	96.2	Very high	95.5	Very high	145 Å²	145	49.8 Å²	49.8	63%	0.63	29%	0.289	S	S	*	.	B	Isolated β-bridge	trans	-54.7	120.7	-177	-175.2	-179.2	177.9	-175.1	0	111.8	Q114 V382 K383	K112-Q114 HydrophobicContact CD-CG 4.19Å; K112-Q114 HydrophobicContact CG-CG 4.19Å; K112-Q114 PolarHBondContact O-N 3.18Å; K112-Q114 VanDerWaalsContact O-N 3.13Å; K112-V382 WeakPolarHBondContact O-CA 3.32Å; K112-K383 PolarHBondContact O-N 3.22Å
113	D	95.8	Very high	95.5	Very high	53 Å²	53	48.8 Å²	48.8	28%	0.283	28%	0.278	S	S	.	.			trans	-78.7	95.5	174.2	-165.8	-11.4	0	0	0	110.5	P111 L115 G116 K383	P111-D113 PolarHBondContact O-N 3.31Å; P111-D113 VanDerWaalsContact O-N 3.11Å; D113-L115 PolarHBondContact OD1-N 3.39Å; D113-G116 PolarHBondContact OD1-N 2.69Å; D113-K383 HydrophobicContact CB-CB 4.29Å; D113-K383 HydrophobicContact CB-CD 3.78Å; D113-K383 VanDerWaalsContact CG-CD 3.48Å; D113-K383 WeakPolarHBondContact OD2-CD 3.28Å; D113-K383 IonicContact OD2-NZ 3.69Å; D113-K383 PolarHBondContact OD2-NZ 3.39Å
114	Q	92.7	Very high	95.6	Very high	110 Å²	110	46.4 Å²	46.4	51%	0.514	26%	0.262	S	S	.	.	S	Bend	trans	-84.8	-24.3	177.8	-68	-170.5	-6.1	0	0	113.2	K112 V382	K112-Q114 HydrophobicContact CD-CG 4.19Å; K112-Q114 HydrophobicContact CG-CG 4.19Å; K112-Q114 PolarHBondContact O-N 3.18Å; K112-Q114 VanDerWaalsContact O-N 3.13Å; Q114-V382 HydrophobicContact CG-CG1 3.83Å
115	L	94.1	Very high	95.7	Very high	12 Å²	12	43.6 Å²	43.6	6%	0.063	25%	0.251	C	S	.	.	S	Bend	trans	-84.4	-37.2	-177.9	-68.1	177.4	0	0	0	111.3	D113 V117 K412 H417	D113-L115 PolarHBondContact OD1-N 3.39Å; L115-V117 HydrophobicContact CB-CG1 4.2Å; L115-V117 HydrophobicContact CB-CG2 4.11Å; L115-V117 PolarHBondContact O-N 2.89Å; L115-K412 WeakPolarHBondContact O-CD 3.42Å; L115-K412 WeakPolarHBondContact O-CE 3.45Å; L115-K412 PolarHBondContact O-NZ 2.82Å; L115-H417 HydrophobicContact CD2-CB 4.46Å; L115-H417 WeakPolarHBondContact CD2-CD2 3.44Å; L115-H417 WeakPolarHBondContact CD2-NE2 3.37Å
116	G	94.8	Very high	95.7	Very high	39 Å²	39	40.2 Å²	40.2	40%	0.402	24%	0.235	S	C	.	.			trans	63.3	23.6	-176.6	0	0	0	0	0	113.3	Q52 D113	Q52-G116 PolarHBondContact NE2-O 2.55Å; D113-G116 PolarHBondContact OD1-N 2.69Å
117	V	96.4	Very high	95.8	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.012	20%	0.197	C	C	.	.			trans	-78.1	154.3	172.3	-64.9	0	0	0	0	110.1	Q52 L115 V247 I386 K412	Q52-V117 PolarHBondContact NE2-O 3.41Å; Q52-V117 VanDerWaalsContact NE2-O 3.15Å; L115-V117 HydrophobicContact CB-CG1 4.2Å; L115-V117 HydrophobicContact CB-CG2 4.11Å; L115-V117 PolarHBondContact O-N 2.89Å; V117-V247 HydrophobicContact CG1-CB 4.21Å; V117-V247 HydrophobicContact CG1-CG1 4.5Å; V117-V247 HydrophobicContact CG1-CG2 3.93Å; V117-I386 HydrophobicContact CG2-CD1 4.42Å; V117-I386 HydrophobicContact CG2-CG1 4.43Å; V117-K412 HydrophobicContact CG1-CD 3.51Å
118	P	96.9	Very high	96	Very high	14 Å²	14	35.5 Å²	35.5	9%	0.091	20%	0.196	C	C	.	.			trans	-55.1	151.6	170.6	-28	37.1	0	0	0	113.5	I50 Q52 Y95 L120 Q121	I50-P118 HydrophobicContact CG2-CB 3.61Å; I50-P118 HydrophobicContact CG2-CG 3.58Å; Q52-P118 HydrophobicContact CB-CB 4.43Å; Y95-P118 WeakPolarHBondContact CE2-O 3.4Å; Y95-P118 PolarHBondContact OH-O 3.41Å; P118-L120 VanDerWaalsContact C-N 3.35Å; P118-Q121 HydrophobicContact CB-CB 4.22Å
119	D	97.4	Very high	96.1	Very high	12 Å²	12	32.7 Å²	32.7	6%	0.064	17%	0.168	C	C	.	.	S	Bend	trans	-75.4	-29.1	174.2	-68	-60.4	0	0	0	111.2	F51 G97 V100 K383	F51-D119 HydrophobicContact CD1-CB 3.94Å; F51-D119 HydrophobicContact CE1-CB 4.41Å; F51-D119 PolarHBondContact O-N 3.27Å; G97-D119 WeakPolarHBondContact CA-O 3.46Å; G97-D119 PolarHBondContact N-O 3Å; V100-D119 HydrophobicContact CG2-CB 3.82Å; V100-D119 WeakPolarHBondContact CG2-O 3.4Å; D119-K383 WeakPolarHBondContact OD1-CE 3.28Å; D119-K383 IonicContact OD1-NZ 3.15Å; D119-K383 PolarHBondContact OD1-NZ 3.43Å; D119-K383 IonicContact OD2-NZ 3.29Å
120	L	98	Very high	96.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	137.4	170.8	166.4	164.6	0	0	0	108.3	I50 F51 F56 L69 L72 Y95 V96 V100 P118 F122	I50-L120 CarbonylContact C-O 3.33Å; I50-L120 WeakPolarHBondContact CA-O 3.28Å; F51-L120 HydrophobicContact CB-CB 4.12Å; F51-L120 HydrophobicContact CB-CD2 4.42Å; F51-L120 PolarHBondContact N-O 2.88Å; F51-L120 PolarHBondContact O-N 3.12Å; F51-L120 VanDerWaalsContact O-N 3.16Å; F56-L120 HydrophobicContact CE2-CD2 4.43Å; L69-L120 HydrophobicContact CD2-CD1 3.75Å; L72-L120 HydrophobicContact CD2-CD1 4.29Å; Y95-L120 WeakPolarHBondContact O-CA 3.48Å; V96-L120 HydrophobicContact CG2-CD1 3.96Å; V96-L120 HydrophobicContact CG2-CG 4.3Å; V100-L120 HydrophobicContact CG2-CB 4.27Å; P118-L120 VanDerWaalsContact C-N 3.35Å; L120-F122 HydrophobicContact CD1-CD2 4.46Å; L120-F122 HydrophobicContact CD1-CE2 4.25Å; L120-F122 HydrophobicContact CD2-CD2 3.74Å; L120-F122 HydrophobicContact CD2-CE2 4.29Å; L120-F122 HydrophobicContact CG-CD2 3.8Å; L120-F122 HydrophobicContact CG-CE2 3.84Å
121	Q	97.7	Very high	96.3	Very high	8 Å²	8	21.7 Å²	21.7	4%	0.037	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	124.7	174.7	-170.3	169	10.6	0	0	111.2	N48 L49 I50 G94 Y95 P118 F244	N48-Q121 PolarHBondContact OD1-NE2 3.2Å; N48-Q121 VanDerWaalsContact OD1-NE2 3.14Å; L49-Q121 WeakPolarHBondContact O-CA 3.25Å; I50-Q121 HydrophobicContact CG1-CG 4.04Å; G94-Q121 WeakPolarHBondContact CA-O 3.46Å; Y95-Q121 HydrophobicContact CD1-CB 4.4Å; Y95-Q121 HydrophobicContact CE1-CB 3.67Å; Y95-Q121 HydrophobicContact CE2-CB 4.43Å; Y95-Q121 PolarHBondContact N-O 3.22Å; Y95-Q121 PolarHBondContact O-N 3.33Å; Y95-Q121 VanDerWaalsContact O-N 3.09Å; P118-Q121 HydrophobicContact CB-CB 4.22Å; Q121-F244 HydrophobicContact CB-CE1 4.33Å; Q121-F244 HydrophobicContact CB-CZ 4.3Å; Q121-F244 VanDerWaalsContact CD-CD1 3.43Å; Q121-F244 HydrophobicContact CG-CD1 3.62Å; Q121-F244 HydrophobicContact CG-CE1 3.55Å; Q121-F244 HydrophobicContact CG-CG 4.17Å; Q121-F244 HydrophobicContact CG-CZ 4.01Å; Q121-F244 WeakPolarHBondContact O-CZ 3.31Å
122	F	98	Very high	96.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142.3	179.1	-78.7	-98.7	0	0	0	111.2	L49 L72 A92 G94 Y95 V96 L120 F402	L49-F122 PolarHBondContact N-O 2.92Å; L49-F122 PolarHBondContact O-N 2.78Å; L72-F122 HydrophobicContact CD1-CB 3.99Å; L72-F122 HydrophobicContact CD1-CD2 4.29Å; L72-F122 HydrophobicContact CD1-CG 4.15Å; L72-F122 HydrophobicContact CD2-CD1 4.41Å; L72-F122 HydrophobicContact CD2-CD2 3.67Å; L72-F122 HydrophobicContact CD2-CE1 4.46Å; L72-F122 HydrophobicContact CD2-CE2 3.73Å; L72-F122 HydrophobicContact CD2-CG 4.03Å; L72-F122 HydrophobicContact CD2-CZ 4.13Å; A92-F122 HydrophobicContact CB-CB 4Å; A92-F122 HydrophobicContact CB-CD1 3.73Å; A92-F122 HydrophobicContact CB-CG 4.16Å; G94-F122 VanDerWaalsContact CA-CD1 3.46Å; Y95-F122 VanDerWaalsContact C-CE2 3.49Å; Y95-F122 WeakPolarHBondContact O-CE2 3.31Å; V96-F122 HydrophobicContact CG2-CE2 3.63Å; V96-F122 HydrophobicContact CG2-CZ 3.91Å; L120-F122 HydrophobicContact CD1-CD2 4.46Å; L120-F122 HydrophobicContact CD1-CE2 4.25Å; L120-F122 HydrophobicContact CD2-CD2 3.74Å; L120-F122 HydrophobicContact CD2-CE2 4.29Å; L120-F122 HydrophobicContact CG-CD2 3.8Å; L120-F122 HydrophobicContact CG-CE2 3.84Å; F122-F402 AromaticContact CE1-CE1 3.94Å; F122-F402 HydrophobicContact CE1-CE1 3.94Å; F122-F402 HydrophobicContact CE1-CZ 4.07Å; F122-F402 AromaticContact CZ-CE1 3.67Å; F122-F402 HydrophobicContact CZ-CE1 3.67Å; F122-F402 AromaticContact CZ-CZ 3.9Å; F122-F402 HydrophobicContact CZ-CZ 3.9Å
123	Y	97.4	Very high	95.8	Very high	13 Å²	13	16.9 Å²	16.9	5%	0.051	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	136.5	163.8	-82	-56.5	0	0	0	110.4	P45 K47 N48 A92 L93 Y125 F244 P245	P45-Y123 HydrophobicContact CB-CD1 3.4Å; P45-Y123 VanDerWaalsContact CB-CD1 3.4Å; P45-Y123 HydrophobicContact CB-CE1 4.1Å; P45-Y123 HydrophobicContact CB-CG 3.76Å; P45-Y123 HydrophobicContact CG-CD1 3.54Å; P45-Y123 HydrophobicContact CG-CE1 3.71Å; P45-Y123 HydrophobicContact CG-CG 4.04Å; K47-Y123 WeakPolarHBondContact O-CA 3.49Å; K47-Y123 WeakPolarHBondContact O-CD1 3.37Å; N48-Y123 HydrophobicContact CB-CD1 3.94Å; N48-Y123 HydrophobicContact CB-CE1 3.64Å; A92-Y123 CarbonylContact C-O 3.49Å; A92-Y123 VanDerWaalsContact CA-O 3.24Å; A92-Y123 WeakPolarHBondContact CA-O 3.48Å; L93-Y123 PolarHBondContact N-O 3.47Å; L93-Y123 PolarHBondContact O-N 3.28Å; Y123-Y125 VanDerWaalsContact CB-OH 3.28Å; Y123-Y125 WeakPolarHBondContact CB-OH 3.34Å; Y123-Y125 VanDerWaalsContact CD2-OH 3.26Å; Y123-Y125 WeakPolarHBondContact CD2-OH 3.08Å; Y123-Y125 HydrophobicContact CG-CE2 4.37Å; Y123-Y125 AromaticContact CG-CZ 3.99Å; Y123-Y125 VanDerWaalsContact O-CD2 3.31Å; Y123-Y125 WeakPolarHBondContact O-CD2 3.31Å; Y123-Y125 WeakPolarHBondContact O-CE2 3.27Å; Y123-F244 AromaticContact CD2-CD1 3.57Å; Y123-F244 HydrophobicContact CD2-CD1 3.57Å; Y123-F244 AromaticContact CD2-CE1 3.37Å; Y123-F244 HydrophobicContact CD2-CE1 3.37Å; Y123-F244 HydrophobicContact CD2-CZ 4.4Å; Y123-F244 AromaticContact CE2-CD1 3.19Å; Y123-F244 HydrophobicContact CE2-CD1 3.19Å; Y123-F244 AromaticContact CE2-CE1 3.56Å; Y123-F244 HydrophobicContact CE2-CE1 3.56Å; Y123-F244 HydrophobicContact CE2-CG 4.14Å; Y123-F244 HydrophobicContact CG-CD1 4.46Å; Y123-F244 HydrophobicContact CG-CE1 4.09Å; Y123-F244 AromaticContact CZ-CD1 3.87Å; Y123-P245 VanDerWaalsContact OH-CD 3.25Å; Y123-P245 WeakPolarHBondContact OH-CD 3.32Å; Y123-P245 WeakPolarHBondContact OH-CG 3.41Å
124	L	97.2	Very high	95.4	Very high	3 Å²	3	20 Å²	20	2%	0.016	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	117.3	175.5	-171.6	65.5	0	0	0	109.9	P45 V46 K47 V76 A92 Y146	P45-L124 CarbonylContact C-O 3.47Å; P45-L124 WeakPolarHBondContact CA-O 3.36Å; V46-L124 PolarHBondContact N-O 3.27Å; K47-L124 HydrophobicContact CB-CB 4.05Å; K47-L124 HydrophobicContact CB-CD2 4.34Å; K47-L124 HydrophobicContact CD-CD2 4.32Å; K47-L124 HydrophobicContact CG-CD2 4.37Å; K47-L124 PolarHBondContact O-N 3.22Å; V76-L124 HydrophobicContact CB-CD1 4.42Å; V76-L124 HydrophobicContact CG2-CD1 3.85Å; A92-L124 HydrophobicContact CB-CD1 4.49Å; L124-Y146 HydrophobicContact CD1-CD1 4.35Å; L124-Y146 HydrophobicContact CD1-CD2 4.38Å; L124-Y146 HydrophobicContact CD1-CE1 3.8Å; L124-Y146 HydrophobicContact CD1-CE2 3.88Å; L124-Y146 HydrophobicContact CD2-CD1 3.61Å; L124-Y146 HydrophobicContact CD2-CD2 4.16Å; L124-Y146 HydrophobicContact CD2-CE1 3.89Å; L124-Y146 HydrophobicContact CD2-CE2 4.45Å; L124-Y146 HydrophobicContact CD2-CG 3.74Å; L124-Y146 HydrophobicContact CG-CD1 4.12Å; L124-Y146 HydrophobicContact CG-CD2 3.9Å; L124-Y146 HydrophobicContact CG-CE1 4.07Å; L124-Y146 HydrophobicContact CG-CE2 3.9Å; L124-Y146 HydrophobicContact CG-CG 4.02Å
125	Y	97.1	Very high	95.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	140.7	-173.4	-62.1	-80.3	0	0	0	113.2	G25 S27 A42 F43 P45 G90 G91 L93 Y123 Y146	G25-Y125 VanDerWaalsContact O-CE1 3.31Å; G25-Y125 WeakPolarHBondContact O-CE1 3.35Å; G25-Y125 PolarHBondContact O-OH 2.97Å; S27-Y125 WeakPolarHBondContact CB-OH 3.02Å; S27-Y125 PolarHBondContact OG-OH 2.65Å; A42-Y125 HydrophobicContact CB-CD1 3.66Å; A42-Y125 HydrophobicContact CB-CD2 3.58Å; A42-Y125 HydrophobicContact CB-CE1 3.91Å; A42-Y125 HydrophobicContact CB-CE2 3.82Å; A42-Y125 HydrophobicContact CB-CG 3.48Å; A42-Y125 VanDerWaalsContact CB-CG 3.48Å; F43-Y125 WeakPolarHBondContact O-CD1 3.47Å; P45-Y125 HydrophobicContact CB-CD1 3.96Å; P45-Y125 HydrophobicContact CB-CE1 3.63Å; P45-Y125 HydrophobicContact CG-CE1 4.18Å; G90-Y125 WeakPolarHBondContact CA-O 3.29Å; G91-Y125 PolarHBondContact N-O 3.04Å; G91-Y125 PolarHBondContact O-N 3.01Å; L93-Y125 HydrophobicContact CB-CD2 4.14Å; L93-Y125 HydrophobicContact CB-CE2 4.01Å; L93-Y125 HydrophobicContact CD2-CE2 4.44Å; Y123-Y125 VanDerWaalsContact CB-OH 3.28Å; Y123-Y125 WeakPolarHBondContact CB-OH 3.34Å; Y123-Y125 VanDerWaalsContact CD2-OH 3.26Å; Y123-Y125 WeakPolarHBondContact CD2-OH 3.08Å; Y123-Y125 HydrophobicContact CG-CE2 4.37Å; Y123-Y125 AromaticContact CG-CZ 3.99Å; Y123-Y125 VanDerWaalsContact O-CD2 3.31Å; Y123-Y125 WeakPolarHBondContact O-CD2 3.31Å; Y123-Y125 WeakPolarHBondContact O-CE2 3.27Å; Y125-Y146 WeakPolarHBondContact O-CE2 3.23Å
126	E	95.6	Very high	94.8	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.019	13%	0.128	C	C	.	.	S	Bend	trans	-125.4	-1.7	165.3	59.4	-176.8	-156.8	0	0	112.2	V46 G143 N144 S145 Y146 S147	V46-E126 HydrophobicContact CG2-CG 3.7Å; E126-G143 VanDerWaalsContact CD-O 3.3Å; E126-G143 WeakPolarHBondContact O-CA 3.31Å; E126-G143 PolarHBondContact O-N 2.97Å; E126-N144 VanDerWaalsContact OE2-CA 3.27Å; E126-N144 WeakPolarHBondContact OE2-CA 3.43Å; E126-S145 PolarHBondContact OE2-N 3.24Å; E126-Y146 HydrophobicContact CB-CD2 3.96Å; E126-Y146 HydrophobicContact CB-CE2 4.36Å; E126-Y146 HydrophobicContact CG-CD2 4.49Å; E126-Y146 PolarHBondContact OE2-N 3.33Å; E126-S147 WeakPolarHBondContact OE1-CB 3.48Å; E126-S147 PolarHBondContact OE1-OG 2.93Å; E126-S147 PolarHBondContact OE2-N 2.98Å; E126-S147 PolarHBondContact OE2-OG 3.24Å
127	S	95.9	Very high	94.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121.7	176	-61.9	0	0	0	0	109.7	F43 V141 R157	F43-S127 PolarHBondContact N-O 3.27Å; F43-S127 VanDerWaalsContact N-O 3.11Å; S127-V141 WeakPolarHBondContact CA-O 3.43Å; S127-R157 PolarHBondContact OG-NH2 3.1Å
128	Y	96.8	Very high	94.5	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	161.2	-174.1	55.3	-86.2	0	0	0	112.6	I41 F88 Q89 G90 I130 V141	I41-Y128 CarbonylContact O-C 3.52Å; I41-Y128 WeakPolarHBondContact O-CA 3.49Å; I41-Y128 WeakPolarHBondContact O-CB 3.32Å; F88-Y128 HydrophobicContact CD1-CD1 4.14Å; F88-Y128 AromaticContact CD1-CD2 3.86Å; F88-Y128 HydrophobicContact CD1-CD2 3.86Å; F88-Y128 HydrophobicContact CD1-CE1 4.23Å; F88-Y128 AromaticContact CD1-CE2 3.91Å; F88-Y128 HydrophobicContact CD1-CE2 3.91Å; F88-Y128 AromaticContact CD1-CG 3.97Å; F88-Y128 HydrophobicContact CD1-CG 3.97Å; F88-Y128 HydrophobicContact CE1-CD1 4.03Å; F88-Y128 HydrophobicContact CE1-CD2 4.49Å; F88-Y128 HydrophobicContact CE1-CE1 4.31Å; F88-Y128 HydrophobicContact CE1-CG 4.13Å; F88-Y128 WeakPolarHBondContact O-CE2 3.42Å; F88-Y128 VanDerWaalsContact O-CZ 3.25Å; F88-Y128 PolarHBondContact O-OH 2.89Å; Q89-Y128 WeakPolarHBondContact CA-OH 3.43Å; Q89-Y128 PolarHBondContact O-OH 3.22Å; G90-Y128 PolarHBondContact N-OH 2.87Å; Y128-I130 HydrophobicContact CD2-CD1 4.19Å; Y128-I130 HydrophobicContact CD2-CG1 4.06Å; Y128-I130 HydrophobicContact CE2-CD1 3.76Å; Y128-I130 HydrophobicContact CE2-CG1 4.16Å; Y128-V141 HydrophobicContact CD1-CB 4.34Å; Y128-V141 HydrophobicContact CD2-CB 3.97Å; Y128-V141 HydrophobicContact CD2-CG2 4.08Å; Y128-V141 HydrophobicContact CE1-CB 3.95Å; Y128-V141 HydrophobicContact CE1-CG1 3.85Å; Y128-V141 HydrophobicContact CE2-CB 3.58Å; Y128-V141 HydrophobicContact CE2-CG1 4.06Å; Y128-V141 HydrophobicContact CE2-CG2 3.53Å; Y128-V141 HydrophobicContact CG-CB 4.35Å; Y128-V141 PolarHBondContact N-O 2.9Å; Y128-V141 PolarHBondContact O-N 2.7Å; Y128-V141 WeakPolarHBondContact OH-CG1 3.39Å
129	V	96.8	Very high	94.4	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	128.4	168.7	176.9	0	0	0	0	108.7	I17 L21 I41 F43 T139 L140 L165	I17-V129 HydrophobicContact CD1-CG1 4.27Å; I17-V129 HydrophobicContact CG2-CB 3.93Å; I17-V129 HydrophobicContact CG2-CG1 3.88Å; I17-V129 HydrophobicContact CG2-CG2 4.17Å; L21-V129 HydrophobicContact CD1-CG2 3.8Å; I41-V129 HydrophobicContact CB-CB 4.43Å; I41-V129 PolarHBondContact N-O 3.32Å; I41-V129 PolarHBondContact O-N 2.98Å; F43-V129 HydrophobicContact CE1-CG2 4.14Å; V129-T139 WeakPolarHBondContact CA-O 3.44Å; V129-L140 HydrophobicContact CG2-CB 4.33Å; V129-L140 HydrophobicContact CG2-CD1 3.69Å; V129-L165 HydrophobicContact CG2-CD1 4.09Å
130	I	96.4	Very high	94.4	Very high	15 Å²	15	24.4 Å²	24.4	8%	0.077	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	120.4	165.8	-67.1	159.3	0	0	0	107.9	A39 I40 L86 I87 F88 Y128 S138 T139	A39-I130 CarbonylContact O-C 3.58Å; A39-I130 WeakPolarHBondContact O-CA 3.32Å; I40-I130 HydrophobicContact CG1-CG1 4.46Å; L86-I130 HydrophobicContact CB-CD1 4.33Å; L86-I130 HydrophobicContact CD2-CD1 4.03Å; I87-I130 HydrophobicContact CD1-CG2 3.72Å; I87-I130 HydrophobicContact CG1-CD1 3.81Å; I87-I130 HydrophobicContact CG1-CG1 4.18Å; I87-I130 HydrophobicContact CG1-CG2 3.95Å; F88-I130 HydrophobicContact CB-CD1 4.29Å; Y128-I130 HydrophobicContact CD2-CD1 4.19Å; Y128-I130 HydrophobicContact CD2-CG1 4.06Å; Y128-I130 HydrophobicContact CE2-CD1 3.76Å; Y128-I130 HydrophobicContact CE2-CG1 4.16Å; I130-S138 CarbonylContact O-C 3.51Å; I130-S138 WeakPolarHBondContact O-CA 3.34Å; I130-T139 PolarHBondContact N-O 2.74Å; I130-T139 PolarHBondContact O-N 2.98Å
131	Y	95.4	Very high	94.2	Very high	7 Å²	7	24.4 Å²	24.4	3%	0.027	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	109	174.1	179.8	-121	0	0	0	110	L12 T14 I17 Y38 A39 K133 Q136 I137 S138	L12-Y131 WeakPolarHBondContact O-CE2 3.25Å; L12-Y131 PolarHBondContact O-OH 2.61Å; L12-Y131 VanDerWaalsContact O-OH 3.07Å; T14-Y131 WeakPolarHBondContact OG1-CD1 3Å; I17-Y131 HydrophobicContact CD1-CD2 3.87Å; I17-Y131 HydrophobicContact CD1-CG 3.84Å; Y38-Y131 CarbonylContact C-O 3.55Å; Y38-Y131 WeakPolarHBondContact CA-O 3.29Å; A39-Y131 PolarHBondContact N-O 3.06Å; A39-Y131 PolarHBondContact O-N 2.98Å; Y131-K133 HydrophobicContact CD1-CG 3.62Å; Y131-K133 HydrophobicContact CE1-CB 4.35Å; Y131-K133 HydrophobicContact CE1-CG 3.62Å; Y131-K133 PolarHBondContact O-N 3.22Å; Y131-Q136 PolarHBondContact OH-NE2 3.02Å; Y131-Q136 PolarHBondContact OH-OE1 2.78Å; Y131-I137 WeakPolarHBondContact CA-O 3.11Å; Y131-S138 WeakPolarHBondContact CD2-OG 3.28Å
132	D	92.8	Very high	94.1	Very high	35 Å²	35	24 Å²	24	19%	0.187	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	106.6	170.9	-176.9	-33.7	0	0	0	108.1	Q134 K135 Q136 I137	D132-Q134 VanDerWaalsContact C-N 3.32Å; D132-Q134 PolarHBondContact O-N 2.83Å; D132-Q134 PolarHBondContact OD1-N 3.25Å; D132-Q134 VanDerWaalsContact OD1-N 3.08Å; D132-K135 HydrophobicContact CB-CB 4.26Å; D132-K135 PolarHBondContact O-N 3.11Å; D132-K135 PolarHBondContact OD1-N 3.06Å; D132-K135 VanDerWaalsContact OD2-CD 3.32Å; D132-K135 WeakPolarHBondContact OD2-CD 3.34Å; D132-K135 WeakPolarHBondContact OD2-CE 3.5Å; D132-K135 WeakPolarHBondContact OD2-CG 3.13Å; D132-K135 IonicContact OD2-NZ 3.35Å; D132-K135 PolarHBondContact OD2-NZ 3.46Å; D132-Q136 VanDerWaalsContact O-CA 3.27Å; D132-Q136 WeakPolarHBondContact O-CA 3.25Å; D132-Q136 PolarHBondContact O-N 2.63Å; D132-I137 PolarHBondContact N-O 3.28Å; D132-I137 PolarHBondContact O-N 2.96Å
133	K	89.4	Confident	93.9	Very high	26 Å²	26	24 Å²	24	11%	0.113	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-27.5	-173.6	-66	161.7	176.9	171	0	112.3	E30 D37 Y38 Y131 Q136	E30-K133 WeakPolarHBondContact OE2-CE 3.42Å; E30-K133 IonicContact OE2-NZ 2.77Å; E30-K133 PolarHBondContact OE2-NZ 3.15Å; D37-K133 WeakPolarHBondContact O-CB 3.2Å; D37-K133 PolarHBondContact O-N 3.38Å; D37-K133 WeakPolarHBondContact OD1-CD 3.42Å; D37-K133 IonicContact OD1-NZ 2.65Å; D37-K133 PolarHBondContact OD1-NZ 3.01Å; Y38-K133 PolarHBondContact O-NZ 3.31Å; Y131-K133 HydrophobicContact CD1-CG 3.62Å; Y131-K133 HydrophobicContact CE1-CB 4.35Å; Y131-K133 HydrophobicContact CE1-CG 3.62Å; Y131-K133 PolarHBondContact O-N 3.22Å; K133-Q136 PolarHBondContact O-NE2 2.62Å
134	Q	85.8	Confident	93.7	Very high	120 Å²	120	24.7 Å²	24.7	56%	0.561	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-43.1	177.7	-61.7	-176.1	-3.5	0	0	110.4	D37 D132	D37-Q134 HydrophobicContact CB-CG 4.07Å; D132-Q134 VanDerWaalsContact C-N 3.32Å; D132-Q134 PolarHBondContact O-N 2.83Å; D132-Q134 PolarHBondContact OD1-N 3.25Å; D132-Q134 VanDerWaalsContact OD1-N 3.08Å
135	K	87	Confident	93.5	Very high	140 Å²	140	24.7 Å²	24.7	61%	0.609	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-14.4	179.4	-57.7	-172.2	-166.5	109.8	0	113.7	D132 I137	D132-K135 HydrophobicContact CB-CB 4.26Å; D132-K135 PolarHBondContact O-N 3.11Å; D132-K135 PolarHBondContact OD1-N 3.06Å; D132-K135 VanDerWaalsContact OD2-CD 3.32Å; D132-K135 WeakPolarHBondContact OD2-CD 3.34Å; D132-K135 WeakPolarHBondContact OD2-CE 3.5Å; D132-K135 WeakPolarHBondContact OD2-CG 3.13Å; D132-K135 IonicContact OD2-NZ 3.35Å; D132-K135 PolarHBondContact OD2-NZ 3.46Å; K135-I137 VanDerWaalsContact C-N 3.29Å; K135-I137 HydrophobicContact CB-CB 4.38Å; K135-I137 HydrophobicContact CB-CD1 3.69Å; K135-I137 HydrophobicContact CB-CG1 3.7Å; K135-I137 HydrophobicContact CD-CD1 4.06Å; K135-I137 WeakPolarHBondContact O-CG1 3.49Å; K135-I137 PolarHBondContact O-N 3.2Å
136	Q	87.4	Confident	93.3	Very high	91 Å²	91	26.4 Å²	26.4	43%	0.425	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	41.4	-172.4	-61.5	-77.2	-59.8	0	0	111.9	Y131 D132 K133	Y131-Q136 PolarHBondContact OH-NE2 3.02Å; Y131-Q136 PolarHBondContact OH-OE1 2.78Å; D132-Q136 VanDerWaalsContact O-CA 3.27Å; D132-Q136 WeakPolarHBondContact O-CA 3.25Å; D132-Q136 PolarHBondContact O-N 2.63Å; K133-Q136 PolarHBondContact O-NE2 2.62Å
137	I	91.5	Very high	93.2	Very high	26 Å²	26	28.3 Å²	28.3	13%	0.133	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.6	-178.1	-56.8	179.4	0	0	0	109.1	E6 F8 Y131 D132 K135	E6-I137 HydrophobicContact CB-CG2 4.34Å; E6-I137 HydrophobicContact CG-CG2 4.38Å; F8-I137 HydrophobicContact CD1-CD1 4.41Å; F8-I137 HydrophobicContact CD1-CG1 3.94Å; F8-I137 HydrophobicContact CE1-CB 4.39Å; F8-I137 HydrophobicContact CE1-CD1 3.42Å; F8-I137 VanDerWaalsContact CE1-CD1 3.42Å; F8-I137 HydrophobicContact CE1-CG1 3.41Å; F8-I137 VanDerWaalsContact CE1-CG1 3.41Å; F8-I137 HydrophobicContact CE1-CG2 4.25Å; F8-I137 HydrophobicContact CZ-CD1 3.79Å; F8-I137 HydrophobicContact CZ-CG1 4.07Å; F8-I137 HydrophobicContact CZ-CG2 4.17Å; Y131-I137 WeakPolarHBondContact CA-O 3.11Å; D132-I137 PolarHBondContact N-O 3.28Å; D132-I137 PolarHBondContact O-N 2.96Å; K135-I137 VanDerWaalsContact C-N 3.29Å; K135-I137 HydrophobicContact CB-CB 4.38Å; K135-I137 HydrophobicContact CB-CD1 3.69Å; K135-I137 HydrophobicContact CB-CG1 3.7Å; K135-I137 HydrophobicContact CD-CD1 4.06Å; K135-I137 WeakPolarHBondContact O-CG1 3.49Å; K135-I137 PolarHBondContact O-N 3.2Å
138	S	94.2	Very high	92.9	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.014	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	120.2	170.8	-58.5	0	0	0	0	109.9	E6 I7 I17 I130 Y131	E6-S138 CarbonylContact C-O 3.59Å; E6-S138 WeakPolarHBondContact CA-O 3.31Å; I7-S138 PolarHBondContact N-O 2.69Å; I7-S138 PolarHBondContact O-N 3.14Å; I7-S138 VanDerWaalsContact O-N 3.13Å; I17-S138 WeakPolarHBondContact CD1-OG 3.24Å; I130-S138 CarbonylContact O-C 3.51Å; I130-S138 WeakPolarHBondContact O-CA 3.34Å; Y131-S138 WeakPolarHBondContact CD2-OG 3.28Å
139	T	95.3	Very high	92.7	Very high	21 Å²	21	37 Å²	37	13%	0.129	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	104.5	174.1	-56.1	0	0	0	0	109	L86 V129 I130 V141	L86-T139 HydrophobicContact CD2-CG2 3.94Å; V129-T139 WeakPolarHBondContact CA-O 3.44Å; I130-T139 PolarHBondContact N-O 2.74Å; I130-T139 PolarHBondContact O-N 2.98Å; T139-V141 HydrophobicContact CG2-CG2 4.08Å
140	L	96	Very high	92.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	126.5	172.9	174.6	62	0	0	0	109.4	T4 K5 I7 F43 V129 M158 L161 L165	T4-L140 CarbonylContact C-O 3.57Å; T4-L140 WeakPolarHBondContact CA-O 3.48Å; K5-L140 HydrophobicContact CB-CB 4.49Å; K5-L140 PolarHBondContact N-O 2.74Å; K5-L140 PolarHBondContact O-N 3.48Å; I7-L140 HydrophobicContact CD1-CB 4.3Å; I7-L140 HydrophobicContact CD1-CD2 4.49Å; F43-L140 HydrophobicContact CE1-CD1 4.43Å; F43-L140 HydrophobicContact CZ-CD1 3.89Å; V129-L140 HydrophobicContact CG2-CB 4.33Å; V129-L140 HydrophobicContact CG2-CD1 3.69Å; L140-M158 HydrophobicContact CB-SD 4.35Å; L140-M158 HydrophobicContact CD2-SD 3.44Å; L140-M158 WeakPolarHBondContact CD2-SD 3.26Å; L140-M158 HydrophobicContact CG-SD 3.65Å; L140-L161 HydrophobicContact CD1-CB 4.45Å; L140-L161 HydrophobicContact CD2-CB 3.93Å; L140-L165 HydrophobicContact CD2-CD1 4.3Å
141	V	95.7	Very high	92.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.2	-179.6	-171.2	0	0	0	0	110	K3 T4 L86 S127 Y128 T139	K3-V141 WeakPolarHBondContact O-CA 3.37Å; T4-V141 HydrophobicContact CG2-CG1 4.15Å; T4-V141 HydrophobicContact CG2-CG2 4.06Å; L86-V141 HydrophobicContact CD1-CG1 4.34Å; L86-V141 HydrophobicContact CD1-CG2 4.01Å; L86-V141 HydrophobicContact CD2-CG2 4.19Å; S127-V141 WeakPolarHBondContact CA-O 3.43Å; Y128-V141 HydrophobicContact CD1-CB 4.34Å; Y128-V141 HydrophobicContact CD2-CB 3.97Å; Y128-V141 HydrophobicContact CD2-CG2 4.08Å; Y128-V141 HydrophobicContact CE1-CB 3.95Å; Y128-V141 HydrophobicContact CE1-CG1 3.85Å; Y128-V141 HydrophobicContact CE2-CB 3.58Å; Y128-V141 HydrophobicContact CE2-CG1 4.06Å; Y128-V141 HydrophobicContact CE2-CG2 3.53Å; Y128-V141 HydrophobicContact CG-CB 4.35Å; Y128-V141 PolarHBondContact N-O 2.9Å; Y128-V141 PolarHBondContact O-N 2.7Å; Y128-V141 WeakPolarHBondContact OH-CG1 3.39Å; T139-V141 HydrophobicContact CG2-CG2 4.08Å
142	I	95.1	Very high	92.3	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	118.5	170.4	-57	-175.9	0	0	0	107.7	R2 K3 M154 R157 M158 L161	R2-I142 CarbonylContact C-O 3.6Å; R2-I142 WeakPolarHBondContact CA-O 3.45Å; K3-I142 PolarHBondContact N-O 2.7Å; K3-I142 PolarHBondContact O-N 3.35Å; I142-M154 HydrophobicContact CG2-CB 4.18Å; I142-M154 HydrophobicContact CG2-CE 4.14Å; I142-M154 HydrophobicContact CG2-CG 4.17Å; I142-M154 WeakPolarHBondContact O-CE 3.42Å; I142-R157 HydrophobicContact CD1-CB 3.73Å; I142-M158 HydrophobicContact CB-CE 4.25Å; I142-M158 HydrophobicContact CD1-CB 3.82Å; I142-M158 HydrophobicContact CD1-CE 4.24Å; I142-M158 HydrophobicContact CD1-SD 4.26Å; I142-M158 HydrophobicContact CG1-CE 4Å; I142-M158 HydrophobicContact CG1-SD 4.44Å; I142-L161 HydrophobicContact CD1-CD1 3.71Å; I142-L161 HydrophobicContact CG1-CD1 4.37Å
143	G	93.4	Very high	92.4	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	172.3	172.9	0	0	0	0	0	112.1	M1 E126	M1-G143 WeakPolarHBondContact O-CA 3.43Å; E126-G143 VanDerWaalsContact CD-O 3.3Å; E126-G143 WeakPolarHBondContact O-CA 3.31Å; E126-G143 PolarHBondContact O-N 2.97Å
144	N	93.9	Very high	92.6	Very high	26 Å²	26	51.5 Å²	51.5	14%	0.139	25%	0.253	C	S	.	.			trans	-137.5	21.9	170.6	70.5	-13	0	0	0	112	M1 E126 Y146 K148 D149 M154	M1-N144 WeakPolarHBondContact CA-OD1 3.44Å; M1-N144 WeakPolarHBondContact CB-OD1 3.25Å; M1-N144 PolarHBondContact N-OD1 2.83Å; M1-N144 PolarHBondContact O-N 3.49Å; M1-N144 VanDerWaalsContact O-N 3.16Å; M1-N144 PolarHBondContact O-OD1 3.13Å; E126-N144 VanDerWaalsContact OE2-CA 3.27Å; E126-N144 WeakPolarHBondContact OE2-CA 3.43Å; N144-Y146 PolarHBondContact O-N 3.15Å; N144-K148 PolarHBondContact O-N 3.31Å; N144-K148 VanDerWaalsContact O-N 3.14Å; N144-D149 HydrophobicContact CB-CB 4.12Å; N144-D149 PolarHBondContact ND2-O 2.77Å; N144-M154 HydrophobicContact CB-CE 4.36Å; N144-M154 HydrophobicContact CB-CG 4.48Å; N144-M154 HydrophobicContact CB-SD 3.67Å
145	S	92.6	Very high	92.9	Very high	4 Å²	4	49 Å²	49	3%	0.028	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-30.9	-175.1	-51	0	0	0	0	110.7	E80 E126 K148	E80-S145 VanDerWaalsContact CD-OG 3.26Å; E80-S145 PolarHBondContact OE1-OG 3.28Å; E80-S145 PolarHBondContact OE2-OG 2.71Å; E126-S145 PolarHBondContact OE2-N 3.24Å; S145-K148 PolarHBondContact O-NZ 2.81Å
146	Y	93.4	Very high	93.3	Very high	36 Å²	36	50.3 Å²	50.3	14%	0.141	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-44.7	178.5	-46.7	-69.5	0	0	0	113.4	V76 V78 G91 L124 Y125 E126 N144 K148 Q396	V76-Y146 PolarHBondContact O-OH 3.44Å; V78-Y146 HydrophobicContact CG2-CD1 4.32Å; V78-Y146 HydrophobicContact CG2-CE1 3.62Å; G91-Y146 WeakPolarHBondContact CA-OH 3.23Å; L124-Y146 HydrophobicContact CD1-CD1 4.35Å; L124-Y146 HydrophobicContact CD1-CD2 4.38Å; L124-Y146 HydrophobicContact CD1-CE1 3.8Å; L124-Y146 HydrophobicContact CD1-CE2 3.88Å; L124-Y146 HydrophobicContact CD2-CD1 3.61Å; L124-Y146 HydrophobicContact CD2-CD2 4.16Å; L124-Y146 HydrophobicContact CD2-CE1 3.89Å; L124-Y146 HydrophobicContact CD2-CE2 4.45Å; L124-Y146 HydrophobicContact CD2-CG 3.74Å; L124-Y146 HydrophobicContact CG-CD1 4.12Å; L124-Y146 HydrophobicContact CG-CD2 3.9Å; L124-Y146 HydrophobicContact CG-CE1 4.07Å; L124-Y146 HydrophobicContact CG-CE2 3.9Å; L124-Y146 HydrophobicContact CG-CG 4.02Å; Y125-Y146 WeakPolarHBondContact O-CE2 3.23Å; E126-Y146 HydrophobicContact CB-CD2 3.96Å; E126-Y146 HydrophobicContact CB-CE2 4.36Å; E126-Y146 HydrophobicContact CG-CD2 4.49Å; E126-Y146 PolarHBondContact OE2-N 3.33Å; N144-Y146 PolarHBondContact O-N 3.15Å; Y146-K148 PolarHBondContact O-N 3.3Å; Y146-Q396 WeakPolarHBondContact OH-CB 3.21Å
147	S	92	Very high	93.6	Very high	43 Å²	43	48.4 Å²	48.4	30%	0.301	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-26.3	-175.7	62.4	0	0	0	0	114.5	E126 D149	E126-S147 WeakPolarHBondContact OE1-CB 3.48Å; E126-S147 PolarHBondContact OE1-OG 2.93Å; E126-S147 PolarHBondContact OE2-N 2.98Å; E126-S147 PolarHBondContact OE2-OG 3.24Å; S147-D149 PolarHBondContact O-N 3.17Å; S147-D149 WeakPolarHBondContact OG-CB 3.29Å; S147-D149 PolarHBondContact OG-N 2.71Å; S147-D149 VanDerWaalsContact OG-N 3.15Å
148	K	91.1	Very high	93.7	Very high	153 Å²	153	48 Å²	48	67%	0.665	23%	0.232	S	C	*	.			trans	59	27.3	-168.3	-46.9	-54.1	-176.2	-166.5	0	113.6	N144 S145 Y146	N144-K148 PolarHBondContact O-N 3.31Å; N144-K148 VanDerWaalsContact O-N 3.14Å; S145-K148 PolarHBondContact O-NZ 2.81Å; Y146-K148 PolarHBondContact O-N 3.3Å
149	D	91.2	Very high	93.7	Very high	31 Å²	31	51.3 Å²	51.3	17%	0.166	25%	0.252	C	S	.	.			trans	-52.6	143.2	172	-90.2	-12.5	0	0	0	112.2	N144 S147 Q153 M154 R157	N144-D149 HydrophobicContact CB-CB 4.12Å; N144-D149 PolarHBondContact ND2-O 2.77Å; S147-D149 PolarHBondContact O-N 3.17Å; S147-D149 WeakPolarHBondContact OG-CB 3.29Å; S147-D149 PolarHBondContact OG-N 2.71Å; S147-D149 VanDerWaalsContact OG-N 3.15Å; D149-Q153 HydrophobicContact CB-CB 4.32Å; D149-Q153 PolarHBondContact OD1-NE2 3.09Å; D149-M154 HydrophobicContact CB-CG 4.18Å; D149-R157 IonicContact OD2-NH1 2.86Å; D149-R157 PolarHBondContact OD2-NH1 2.84Å
150	S	94.1	Very high	93.6	Very high	55 Å²	55	54.1 Å²	54.1	39%	0.385	26%	0.264	S	S	.	.			trans	-71.8	156.7	174.2	67.9	0	0	0	0	112.1	I152 Q153 M154	S150-I152 PolarHBondContact O-N 3.5Å; S150-I152 VanDerWaalsContact O-N 3.16Å; S150-Q153 WeakPolarHBondContact O-CB 3.44Å; S150-Q153 PolarHBondContact O-N 2.82Å; S150-Q153 WeakPolarHBondContact OG-CG 3.48Å; S150-Q153 PolarHBondContact OG-N 2.98Å; S150-Q153 PolarHBondContact OG-OE1 3.41Å; S150-M154 PolarHBondContact O-N 2.77Å
151	E	93.2	Very high	93.4	Very high	99 Å²	99	54.5 Å²	54.5	46%	0.463	27%	0.266	S	S	.	.	H	α-helix	trans	-55.2	-35.9	176.8	-177.4	167.7	-161.6	0	0	113.2	M1 K3 M154 N155	M1-E151 HydrophobicContact CE-CB 3.68Å; M1-E151 HydrophobicContact CE-CG 3.79Å; M1-E151 HydrophobicContact SD-CG 4.48Å; K3-E151 WeakPolarHBondContact CE-OE1 3.49Å; K3-E151 IonicContact NZ-OE1 2.72Å; K3-E151 PolarHBondContact NZ-OE1 2.77Å; E151-M154 PolarHBondContact O-N 2.94Å; E151-N155 WeakPolarHBondContact O-CB 3.15Å; E151-N155 VanDerWaalsContact O-CG 3.31Å; E151-N155 PolarHBondContact O-N 3.04Å; E151-N155 PolarHBondContact O-ND2 2.97Å
152	I	93.8	Very high	93.3	Very high	142 Å²	142	56.9 Å²	56.9	73%	0.728	28%	0.277	S	S	*	.	H	α-helix	trans	-64.3	-43.2	177.7	-62.1	173.7	0	0	0	110.6	S150 R156	S150-I152 PolarHBondContact O-N 3.5Å; S150-I152 VanDerWaalsContact O-N 3.16Å; I152-R156 WeakPolarHBondContact O-CB 3.21Å; I152-R156 PolarHBondContact O-N 3.14Å; I152-R156 VanDerWaalsContact O-N 3.1Å
153	Q	93.3	Very high	93.1	Very high	91 Å²	91	62.3 Å²	62.3	43%	0.425	30%	0.302	S	S	.	.	H	α-helix	trans	-63.8	-45.4	176.5	-70.9	164.2	-78.5	0	0	111	D149 S150 N155 R156 R157	D149-Q153 HydrophobicContact CB-CB 4.32Å; D149-Q153 PolarHBondContact OD1-NE2 3.09Å; S150-Q153 WeakPolarHBondContact O-CB 3.44Å; S150-Q153 PolarHBondContact O-N 2.82Å; S150-Q153 WeakPolarHBondContact OG-CG 3.48Å; S150-Q153 PolarHBondContact OG-N 2.98Å; S150-Q153 PolarHBondContact OG-OE1 3.41Å; Q153-N155 PolarHBondContact O-N 2.93Å; Q153-R156 PolarHBondContact O-N 3.4Å; Q153-R157 WeakPolarHBondContact O-CG 3.36Å; Q153-R157 PolarHBondContact O-N 2.96Å
154	M	93.9	Very high	93	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-61.9	-45.1	179	-65.4	175.8	69.6	0	0	112.5	M1 K3 I142 N144 D149 S150 E151 R156 R157 M158	M1-M154 HydrophobicContact CE-CE 3.98Å; M1-M154 HydrophobicContact CE-SD 3.25Å; M1-M154 WeakPolarHBondContact CE-SD 3.43Å; M1-M154 WeakPolarHBondContact O-CE 3.27Å; K3-M154 HydrophobicContact CB-CE 4.42Å; K3-M154 HydrophobicContact CG-CB 4.44Å; K3-M154 HydrophobicContact CG-CE 3.96Å; I142-M154 HydrophobicContact CG2-CB 4.18Å; I142-M154 HydrophobicContact CG2-CE 4.14Å; I142-M154 HydrophobicContact CG2-CG 4.17Å; I142-M154 WeakPolarHBondContact O-CE 3.42Å; N144-M154 HydrophobicContact CB-CE 4.36Å; N144-M154 HydrophobicContact CB-CG 4.48Å; N144-M154 HydrophobicContact CB-SD 3.67Å; D149-M154 HydrophobicContact CB-CG 4.18Å; S150-M154 PolarHBondContact O-N 2.77Å; E151-M154 PolarHBondContact O-N 2.94Å; M154-R156 VanDerWaalsContact C-N 3.32Å; M154-R156 PolarHBondContact O-N 2.96Å; M154-R157 PolarHBondContact O-N 2.73Å; M154-M158 WeakPolarHBondContact O-CB 3.47Å; M154-M158 PolarHBondContact O-N 3.46Å
155	N	93.8	Very high	92.9	Very high	68 Å²	68	66.5 Å²	66.5	36%	0.364	32%	0.319	S	S	.	.	H	α-helix	trans	-63.4	-39.6	177.9	-73.4	-27.8	0	0	0	111.7	K3 E151 Q153 M158 T159	K3-N155 WeakPolarHBondContact CE-OD1 3.34Å; E151-N155 WeakPolarHBondContact O-CB 3.15Å; E151-N155 VanDerWaalsContact O-CG 3.31Å; E151-N155 PolarHBondContact O-N 3.04Å; E151-N155 PolarHBondContact O-ND2 2.97Å; Q153-N155 PolarHBondContact O-N 2.93Å; N155-M158 WeakPolarHBondContact O-CB 3.48Å; N155-M158 PolarHBondContact O-N 3.19Å; N155-T159 PolarHBondContact O-N 2.95Å; N155-T159 VanDerWaalsContact O-N 3.14Å; N155-T159 PolarHBondContact O-OG1 3.22Å
156	R	94.2	Very high	92.6	Very high	168 Å²	168	70.5 Å²	70.5	63%	0.634	34%	0.34	S	S	*	.	H	α-helix	trans	-62.5	-49.1	175.3	179.7	179.6	170.5	-177	-4	111.4	I152 Q153 M154 M158 T159 E160	I152-R156 WeakPolarHBondContact O-CB 3.21Å; I152-R156 PolarHBondContact O-N 3.14Å; I152-R156 VanDerWaalsContact O-N 3.1Å; Q153-R156 PolarHBondContact O-N 3.4Å; M154-R156 VanDerWaalsContact C-N 3.32Å; M154-R156 PolarHBondContact O-N 2.96Å; R156-M158 VanDerWaalsContact C-N 3.29Å; R156-M158 PolarHBondContact O-N 3.14Å; R156-T159 PolarHBondContact O-N 3.49Å; R156-E160 WeakPolarHBondContact CG-OE1 3.49Å; R156-E160 IonicContact CZ-OE1 3.42Å; R156-E160 IonicContact NE-OE1 3.15Å; R156-E160 PolarHBondContact NE-OE1 2.85Å; R156-E160 IonicContact NH2-OE1 3.6Å; R156-E160 PolarHBondContact NH2-OE1 2.8Å; R156-E160 WeakPolarHBondContact O-CG 3.36Å; R156-E160 PolarHBondContact O-N 2.9Å
157	R	93.3	Very high	92.2	Very high	50 Å²	50	75.7 Å²	75.7	19%	0.189	37%	0.365	C	S	.	.	H	α-helix	trans	-58.8	-41	176.5	-71	178.4	75.5	-172.8	-0.5	111.3	D44 S127 I142 D149 Q153 M154 T159 E160 L161	D44-R157 VanDerWaalsContact CB-NH2 3.32Å; D44-R157 IonicContact OD2-CZ 3.68Å; D44-R157 IonicContact OD2-NH2 3.63Å; D44-R157 PolarHBondContact OD2-NH2 3.29Å; S127-R157 PolarHBondContact OG-NH2 3.1Å; I142-R157 HydrophobicContact CD1-CB 3.73Å; D149-R157 IonicContact OD2-NH1 2.86Å; D149-R157 PolarHBondContact OD2-NH1 2.84Å; Q153-R157 WeakPolarHBondContact O-CG 3.36Å; Q153-R157 PolarHBondContact O-N 2.96Å; M154-R157 PolarHBondContact O-N 2.73Å; R157-T159 PolarHBondContact O-N 3.34Å; R157-E160 PolarHBondContact O-N 2.95Å; R157-L161 HydrophobicContact CB-CD1 4.4Å; R157-L161 WeakPolarHBondContact O-CB 3.47Å; R157-L161 WeakPolarHBondContact O-CD1 3.41Å; R157-L161 VanDerWaalsContact O-CG 3.29Å; R157-L161 WeakPolarHBondContact O-CG 3.21Å; R157-L161 PolarHBondContact O-N 3.45Å
158	M	94.1	Very high	91.5	Very high	17 Å²	17	75.2 Å²	75.2	8%	0.084	36%	0.36	C	S	.	.	H	α-helix	trans	-57	-49.9	177.4	-175.2	67.6	77.3	0	0	111.5	K3 K5 L140 I142 M154 N155 R156 L161 E162	K3-M158 VanDerWaalsContact C-CE 3.46Å; K3-M158 HydrophobicContact CB-CE 3.54Å; K3-M158 WeakPolarHBondContact O-CE 3.47Å; K5-M158 HydrophobicContact CB-CE 4.27Å; K5-M158 HydrophobicContact CB-CG 4.47Å; K5-M158 HydrophobicContact CB-SD 3.63Å; L140-M158 HydrophobicContact CB-SD 4.35Å; L140-M158 HydrophobicContact CD2-SD 3.44Å; L140-M158 WeakPolarHBondContact CD2-SD 3.26Å; L140-M158 HydrophobicContact CG-SD 3.65Å; I142-M158 HydrophobicContact CB-CE 4.25Å; I142-M158 HydrophobicContact CD1-CB 3.82Å; I142-M158 HydrophobicContact CD1-CE 4.24Å; I142-M158 HydrophobicContact CD1-SD 4.26Å; I142-M158 HydrophobicContact CG1-CE 4Å; I142-M158 HydrophobicContact CG1-SD 4.44Å; M154-M158 WeakPolarHBondContact O-CB 3.47Å; M154-M158 PolarHBondContact O-N 3.46Å; N155-M158 WeakPolarHBondContact O-CB 3.48Å; N155-M158 PolarHBondContact O-N 3.19Å; R156-M158 VanDerWaalsContact C-N 3.29Å; R156-M158 PolarHBondContact O-N 3.14Å; M158-L161 PolarHBondContact O-N 3.39Å; M158-E162 VanDerWaalsContact O-CB 3.3Å; M158-E162 WeakPolarHBondContact O-CB 3.38Å; M158-E162 PolarHBondContact O-N 3.26Å
159	T	93.7	Very high	90.3	Very high	73 Å²	73	72.1 Å²	72.1	45%	0.448	36%	0.358	S	S	.	.	H	α-helix	trans	-65.1	-41.4	178.4	-56.1	0	0	0	0	112.3	N155 R156 R157 Q163	N155-T159 PolarHBondContact O-N 2.95Å; N155-T159 VanDerWaalsContact O-N 3.14Å; N155-T159 PolarHBondContact O-OG1 3.22Å; R156-T159 PolarHBondContact O-N 3.49Å; R157-T159 PolarHBondContact O-N 3.34Å; T159-Q163 WeakPolarHBondContact O-CG 3.36Å; T159-Q163 PolarHBondContact O-N 3.24Å; T159-Q163 VanDerWaalsContact O-N 3.14Å
160	E	93.2	Very high	89.6	Confident	79 Å²	79	78 Å²	78	37%	0.369	38%	0.382	S	S	.	.	H	α-helix	trans	-64.6	-42.7	178.8	-71.6	172.7	178.9	0	0	111.8	R156 R157 Q163 K164	R156-E160 WeakPolarHBondContact CG-OE1 3.49Å; R156-E160 IonicContact CZ-OE1 3.42Å; R156-E160 IonicContact NE-OE1 3.15Å; R156-E160 PolarHBondContact NE-OE1 2.85Å; R156-E160 IonicContact NH2-OE1 3.6Å; R156-E160 PolarHBondContact NH2-OE1 2.8Å; R156-E160 WeakPolarHBondContact O-CG 3.36Å; R156-E160 PolarHBondContact O-N 2.9Å; R157-E160 PolarHBondContact O-N 2.95Å; E160-Q163 PolarHBondContact O-N 2.65Å; E160-K164 WeakPolarHBondContact O-CG 3.47Å; E160-K164 PolarHBondContact O-N 2.95Å
161	L	92.9	Very high	89.1	Confident	9 Å²	9	76.5 Å²	76.5	5%	0.047	37%	0.37	C	S	.	.	H	α-helix	trans	-72.6	-39.5	180	-71.5	162.2	0	0	0	112.5	L21 F43 L140 I142 R157 M158 Q163 K164 L165	L21-L161 HydrophobicContact CD2-CD2 3.6Å; F43-L161 HydrophobicContact CD2-CD2 4.29Å; F43-L161 HydrophobicContact CE2-CD1 3.55Å; F43-L161 HydrophobicContact CE2-CD2 3.62Å; F43-L161 HydrophobicContact CE2-CG 4.23Å; F43-L161 HydrophobicContact CZ-CD1 3.93Å; F43-L161 HydrophobicContact CZ-CD2 4.15Å; L140-L161 HydrophobicContact CD1-CB 4.45Å; L140-L161 HydrophobicContact CD2-CB 3.93Å; I142-L161 HydrophobicContact CD1-CD1 3.71Å; I142-L161 HydrophobicContact CG1-CD1 4.37Å; R157-L161 HydrophobicContact CB-CD1 4.4Å; R157-L161 WeakPolarHBondContact O-CB 3.47Å; R157-L161 WeakPolarHBondContact O-CD1 3.41Å; R157-L161 VanDerWaalsContact O-CG 3.29Å; R157-L161 WeakPolarHBondContact O-CG 3.21Å; R157-L161 PolarHBondContact O-N 3.45Å; M158-L161 PolarHBondContact O-N 3.39Å; L161-Q163 VanDerWaalsContact C-N 3.27Å; L161-Q163 PolarHBondContact O-N 3.01Å; L161-K164 HydrophobicContact CD2-CD 4.44Å; L161-K164 PolarHBondContact O-N 3.24Å; L161-L165 WeakPolarHBondContact O-CG 3.41Å; L161-L165 PolarHBondContact O-N 3.3Å
162	E	92.2	Very high	88.7	Confident	50 Å²	50	74.6 Å²	74.6	23%	0.234	37%	0.366	C	S	.	.	H	α-helix	trans	-56.6	-44.6	171.7	-178.4	177	-154.3	0	0	110.5	K5 I7 M158 L165 L166	K5-E162 WeakPolarHBondContact CE-OE1 3.46Å; K5-E162 IonicContact NZ-OE1 3.81Å; I7-E162 HydrophobicContact CD1-CG 4.14Å; M158-E162 VanDerWaalsContact O-CB 3.3Å; M158-E162 WeakPolarHBondContact O-CB 3.38Å; M158-E162 PolarHBondContact O-N 3.26Å; E162-L165 PolarHBondContact O-N 2.79Å; E162-L166 HydrophobicContact CG-CD1 4.24Å; E162-L166 WeakPolarHBondContact O-CG 3.41Å; E162-L166 PolarHBondContact O-N 2.93Å
163	Q	91.3	Very high	87.9	Confident	114 Å²	114	73.9 Å²	73.9	53%	0.533	36%	0.364	S	S	.	.	H	α-helix	trans	-64.6	-40.9	175.8	-73.2	178	-2.8	0	0	113	T159 E160 L161 L166 Q167	T159-Q163 WeakPolarHBondContact O-CG 3.36Å; T159-Q163 PolarHBondContact O-N 3.24Å; T159-Q163 VanDerWaalsContact O-N 3.14Å; E160-Q163 PolarHBondContact O-N 2.65Å; L161-Q163 VanDerWaalsContact C-N 3.27Å; L161-Q163 PolarHBondContact O-N 3.01Å; Q163-L166 PolarHBondContact O-N 3.28Å; Q163-Q167 VanDerWaalsContact O-CG 3.29Å; Q163-Q167 WeakPolarHBondContact O-CG 3.42Å; Q163-Q167 PolarHBondContact O-N 3.39Å
164	K	91.4	Very high	87	Confident	112 Å²	112	71.3 Å²	71.3	49%	0.487	35%	0.352	S	S	.	.	H	α-helix	trans	-61.6	-45.7	176.5	-77.7	-177.9	177.6	-176.1	0	111.8	E160 L161 L166 Q167	E160-K164 WeakPolarHBondContact O-CG 3.47Å; E160-K164 PolarHBondContact O-N 2.95Å; L161-K164 HydrophobicContact CD2-CD 4.44Å; L161-K164 PolarHBondContact O-N 3.24Å; K164-L166 VanDerWaalsContact C-N 3.29Å; K164-L166 PolarHBondContact O-N 2.76Å; K164-Q167 PolarHBondContact O-N 2.93Å
165	L	91.4	Very high	85.7	Confident	2 Å²	2	78.9 Å²	78.9	1%	0.01	39%	0.388	C	S	.	.	H	α-helix	trans	-59	-40.6	178.7	-75.6	170.7	0	0	0	112	I7 L12 I17 L21 V129 L140 L161 E162 Q167	I7-L165 HydrophobicContact CD1-CD1 3.82Å; L12-L165 HydrophobicContact CD2-CB 4.31Å; L12-L165 HydrophobicContact CD2-CD2 4.43Å; L12-L165 WeakPolarHBondContact CD2-O 3.31Å; I17-L165 HydrophobicContact CB-CD2 4.34Å; I17-L165 HydrophobicContact CG1-CD2 4.39Å; I17-L165 HydrophobicContact CG2-CD2 3.92Å; L21-L165 HydrophobicContact CD1-CD2 3.7Å; L21-L165 HydrophobicContact CD1-CG 4.36Å; L21-L165 HydrophobicContact CD2-CD2 4.16Å; L21-L165 HydrophobicContact CD2-CG 4.22Å; L21-L165 HydrophobicContact CG-CD2 3.77Å; L21-L165 HydrophobicContact CG-CG 4.38Å; V129-L165 HydrophobicContact CG2-CD1 4.09Å; L140-L165 HydrophobicContact CD2-CD1 4.3Å; L161-L165 WeakPolarHBondContact O-CG 3.41Å; L161-L165 PolarHBondContact O-N 3.3Å; E162-L165 PolarHBondContact O-N 2.79Å; L165-Q167 VanDerWaalsContact C-N 3.28Å; L165-Q167 PolarHBondContact O-N 3.13Å
166	L	87.6	Confident	84.6	Confident	88 Å²	88	77.9 Å²	77.9	46%	0.461	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-7.4	-178.9	-64	172.9	0	0	0	114.1	I7 D9 E162 Q163 K164	I7-L166 HydrophobicContact CG2-CD2 4.09Å; D9-L166 HydrophobicContact CB-CD2 4.28Å; E162-L166 HydrophobicContact CG-CD1 4.24Å; E162-L166 WeakPolarHBondContact O-CG 3.41Å; E162-L166 PolarHBondContact O-N 2.93Å; Q163-L166 PolarHBondContact O-N 3.28Å; K164-L166 VanDerWaalsContact C-N 3.29Å; K164-L166 PolarHBondContact O-N 2.76Å
167	Q	85.5	Confident	83.2	Confident	145 Å²	145	72.4 Å²	72.4	68%	0.678	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-34.6	-179.2	-80	171.9	28.1	0	0	113.7	Q163 K164 L165 S169	Q163-Q167 VanDerWaalsContact O-CG 3.29Å; Q163-Q167 WeakPolarHBondContact O-CG 3.42Å; Q163-Q167 PolarHBondContact O-N 3.39Å; K164-Q167 PolarHBondContact O-N 2.93Å; L165-Q167 VanDerWaalsContact C-N 3.28Å; L165-Q167 PolarHBondContact O-N 3.13Å; Q167-S169 PolarHBondContact O-N 3.3Å
168	V	75.8	Confident	82.2	Confident	33 Å²	33	76.4 Å²	76.4	20%	0.2	40%	0.398	C	S	.	.			trans	-87.3	108.5	-176.1	-177	0	0	0	0	110	Y19 S20	Y19-V168 HydrophobicContact CD1-CG1 4.04Å; S20-V168 WeakPolarHBondContact OG-CB 3.29Å; S20-V168 WeakPolarHBondContact OG-CG2 3.47Å
169	S	66.8	Low	81.7	Confident	88 Å²	88	76.6 Å²	76.6	62%	0.615	40%	0.399	S	S	*	.			trans	-105.9	-14.1	175.5	52	0	0	0	0	113.7	Q167	Q167-S169 PolarHBondContact O-N 3.3Å
170	K	76.5	Confident	81.2	Confident	156 Å²	156	81.2 Å²	81.2	68%	0.678	42%	0.416	S	S	*	.			trans	-145	131.1	-177.3	-165.2	-177.7	176.1	-167.7	0	111.3
171	L	84.3	Confident	81.1	Confident	23 Å²	23	79.1 Å²	79.1	12%	0.12	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-81.7	153.2	171.9	-64.4	170.3	0	0	0	110.6	E15 T16 Y19	E15-L171 HydrophobicContact CB-CD1 3.51Å; T16-L171 HydrophobicContact CG2-CD1 4.19Å; T16-L171 HydrophobicContact CG2-CD2 4.39Å; T16-L171 HydrophobicContact CG2-CG 4.03Å; Y19-L171 HydrophobicContact CD1-CD2 3.89Å; Y19-L171 HydrophobicContact CD2-CD2 3.74Å; Y19-L171 HydrophobicContact CG-CD2 3.36Å
172	P	83.1	Confident	81.1	Confident	59 Å²	59	83.5 Å²	83.5	38%	0.383	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-57.7	152.3	167.6	-20.3	31.9	0	0	0	111.8	Y19 R228	Y19-P172 HydrophobicContact CE2-CG 3.86Å; Y19-P172 VanDerWaalsContact CZ-CD 3.5Å; Y19-P172 WeakPolarHBondContact OH-CG 3.28Å; P172-R228 PolarHBondContact O-NH1 3.5Å
173	D	76.8	Confident	81.1	Confident	127 Å²	127	83.1 Å²	83.1	68%	0.679	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-62.4	144.8	174.1	-61.2	-26.9	0	0	0	109.8	E175	D173-E175 PolarHBondContact O-N 3.45Å
174	L	76.2	Confident	81.3	Confident	36 Å²	36	80.1 Å²	80.1	19%	0.188	42%	0.423	C	S	.	.			trans	-79.3	115.1	-178.9	-72.4	168.9	0	0	0	110.1	N225 R228 E450	L174-N225 HydrophobicContact CD2-CB 3.77Å; L174-R228 HydrophobicContact CD2-CB 4.03Å; L174-E450 HydrophobicContact CD1-CB 4.31Å
175	E	65.8	Low	81.5	Confident	160 Å²	160	75.3 Å²	75.3	75%	0.748	40%	0.403	S	S	*	.			trans	-105	123.3	164.4	-70.5	-174.7	178	0	0	108.9	D173	D173-E175 PolarHBondContact O-N 3.45Å
176	M	71.4	Confident	81.6	Confident	46 Å²	46	77.8 Å²	77.8	23%	0.227	42%	0.42	C	S	.	.			trans	-134.6	120	-177.2	-72.5	-62.6	-48.4	0	0	110	N225 Y226	M176-N225 HydrophobicContact SD-CB 4.01Å; M176-Y226 HydrophobicContact CE-CD2 3.57Å; M176-Y226 HydrophobicContact CE-CG 4.18Å
177	P	64.2	Low	82	Confident	54 Å²	54	76.9 Å²	76.9	35%	0.351	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-76.3	158.2	175.7	31.8	-37.2	0	0	0	110.1	L179 T221	P177-L179 HydrophobicContact CG-CD2 4.18Å; P177-L179 PolarHBondContact O-N 3Å; P177-T221 HydrophobicContact CG-CG2 3.76Å
178	T	72.2	Confident	82.5	Confident	133 Å²	133	76.1 Å²	76.1	82%	0.816	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-70.1	122.6	161.8	-51.7	0	0	0	0	108.3
179	L	82.6	Confident	83.5	Confident	21 Å²	21	79.4 Å²	79.4	11%	0.11	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-93.5	120.9	177.4	-62.2	175.4	0	0	0	109.4	P177 F181 A217 E218 F219 Y226 M409	P177-L179 HydrophobicContact CG-CD2 4.18Å; P177-L179 PolarHBondContact O-N 3Å; L179-F181 HydrophobicContact CB-CD2 3.96Å; L179-F181 HydrophobicContact CB-CE2 3.41Å; L179-F181 VanDerWaalsContact CB-CE2 3.41Å; L179-F181 HydrophobicContact CB-CZ 4.12Å; L179-F181 HydrophobicContact CD1-CE2 3.84Å; L179-F181 HydrophobicContact CD1-CZ 3.88Å; L179-F181 HydrophobicContact CG-CE2 4.29Å; L179-A217 HydrophobicContact CB-CB 4.07Å; L179-E218 VanDerWaalsContact CD2-O 3.28Å; L179-E218 WeakPolarHBondContact CD2-O 3.46Å; L179-F219 HydrophobicContact CD1-CD2 3.84Å; L179-F219 HydrophobicContact CD1-CE2 4.03Å; L179-F219 HydrophobicContact CD2-CD2 3.8Å; L179-F219 HydrophobicContact CD2-CE2 4.47Å; L179-F219 HydrophobicContact CG-CD2 4.49Å; L179-Y226 HydrophobicContact CD1-CE2 4.28Å; L179-M409 HydrophobicContact CD1-CE 4.24Å
180	E	84.5	Confident	84.9	Confident	170 Å²	170	75.2 Å²	75.2	79%	0.794	40%	0.397	S	S	*	.			trans	-92	100.8	174.9	-67.9	-172.5	176.1	0	0	110.2	A217	E180-A217 WeakPolarHBondContact O-CB 3.3Å
181	F	90.6	Very high	85.9	Confident	36 Å²	36	68.7 Å²	68.7	16%	0.158	37%	0.369	C	S	.	.			trans	-84.6	138.5	-178.4	-76.8	-87.9	0	0	0	112.7	L179 L215 S216 A217 M409 A416 V418 M445	L179-F181 HydrophobicContact CB-CD2 3.96Å; L179-F181 HydrophobicContact CB-CE2 3.41Å; L179-F181 VanDerWaalsContact CB-CE2 3.41Å; L179-F181 HydrophobicContact CB-CZ 4.12Å; L179-F181 HydrophobicContact CD1-CE2 3.84Å; L179-F181 HydrophobicContact CD1-CZ 3.88Å; L179-F181 HydrophobicContact CG-CE2 4.29Å; F181-L215 HydrophobicContact CB-CB 4.17Å; F181-L215 HydrophobicContact CB-CD2 4.34Å; F181-L215 HydrophobicContact CD1-CB 3.94Å; F181-L215 HydrophobicContact CG-CB 4.42Å; F181-S216 CarbonylContact C-O 3.59Å; F181-S216 WeakPolarHBondContact CA-O 3.34Å; F181-A217 HydrophobicContact CD1-CB 3.69Å; F181-A217 HydrophobicContact CD2-CB 4.04Å; F181-A217 HydrophobicContact CE1-CB 3.73Å; F181-A217 HydrophobicContact CE2-CB 4.1Å; F181-A217 HydrophobicContact CG-CB 3.84Å; F181-A217 HydrophobicContact CZ-CB 3.93Å; F181-M409 HydrophobicContact CZ-CE 3.78Å; F181-A416 HydrophobicContact CE1-CB 4.44Å; F181-A416 HydrophobicContact CZ-CB 4.44Å; F181-V418 HydrophobicContact CE1-CB 4.44Å; F181-V418 HydrophobicContact CE1-CG2 4.02Å; F181-V418 HydrophobicContact CZ-CG2 4.24Å; F181-M445 HydrophobicContact CB-CG 4.5Å; F181-M445 HydrophobicContact CB-SD 3.68Å; F181-M445 HydrophobicContact CD1-CG 4.46Å; F181-M445 HydrophobicContact CD1-SD 4.44Å; F181-M445 HydrophobicContact CD2-CB 3.76Å; F181-M445 HydrophobicContact CD2-CG 3.44Å; F181-M445 VanDerWaalsContact CD2-CG 3.44Å; F181-M445 HydrophobicContact CD2-SD 3.76Å; F181-M445 HydrophobicContact CE2-CB 3.86Å; F181-M445 HydrophobicContact CE2-CG 3.64Å; F181-M445 HydrophobicContact CG-CG 3.88Å; F181-M445 HydrophobicContact CG-SD 3.7Å; F181-M445 HydrophobicContact CZ-CG 4.26Å
182	T	92.3	Very high	86.6	Confident	100 Å²	100	69.2 Å²	69.2	61%	0.613	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	137.8	171.8	56.7	0	0	0	0	110.2	L215 S216	T182-L215 CarbonylContact O-C 3.53Å; T182-L215 VanDerWaalsContact O-CA 3.28Å; T182-L215 WeakPolarHBondContact O-CA 3.26Å; T182-S216 PolarHBondContact N-O 3.21Å; T182-S216 PolarHBondContact O-N 2.69Å; T182-S216 PolarHBondContact OG1-O 2.92Å
183	S	93.9	Very high	87.3	Confident	43 Å²	43	67 Å²	67	30%	0.301	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	147.8	178.9	-175.1	0	0	0	0	112.2	L185 Q213	S183-L185 WeakPolarHBondContact CB-O 3.39Å; S183-L185 PolarHBondContact O-N 2.86Å; S183-L185 PolarHBondContact OG-N 2.79Å; S183-L185 VanDerWaalsContact OG-N 3.17Å; S183-L185 PolarHBondContact OG-O 2.79Å; S183-Q213 PolarHBondContact OG-OE1 2.83Å
184	N	94.9	Very high	88.3	Confident	51 Å²	51	61 Å²	61	27%	0.273	33%	0.329	S	S	.	.	S	Bend	trans	-74	-10.7	169.8	76.1	-44	0	0	0	113.7	R214	N184-R214 PolarHBondContact N-O 3.02Å; N184-R214 PolarHBondContact OD1-N 3.29Å; N184-R214 PolarHBondContact OD1-O 3.39Å; N184-R214 VanDerWaalsContact OD1-O 3.11Å
185	L	94.5	Very high	89.3	Confident	11 Å²	11	64.5 Å²	64.5	6%	0.058	34%	0.34	C	S	.	.	S	Bend	trans	-128.4	136	176.4	-65.2	175.2	0	0	0	109.7	S183 E189 F190 I193 Q213 T381	S183-L185 WeakPolarHBondContact CB-O 3.39Å; S183-L185 PolarHBondContact O-N 2.86Å; S183-L185 PolarHBondContact OG-N 2.79Å; S183-L185 VanDerWaalsContact OG-N 3.17Å; S183-L185 PolarHBondContact OG-O 2.79Å; L185-E189 HydrophobicContact CB-CB 4.43Å; L185-E189 HydrophobicContact CD2-CB 4.14Å; L185-F190 HydrophobicContact CD1-CD2 4Å; L185-I193 HydrophobicContact CD1-CD1 3.82Å; L185-Q213 HydrophobicContact CD1-CB 4.16Å; L185-T381 HydrophobicContact CD2-CG2 4.36Å
186	S	94.1	Very high	90.8	Very high	54 Å²	54	60.8 Å²	60.8	38%	0.378	32%	0.322	S	S	.	.			trans	-69.9	160.9	164.3	66	0	0	0	0	110.9	I188 E189 F190	S186-I188 PolarHBondContact O-N 2.91Å; S186-E189 VanDerWaalsContact CB-OE2 3.3Å; S186-E189 WeakPolarHBondContact CB-OE2 3.22Å; S186-E189 PolarHBondContact N-OE2 3.04Å; S186-E189 PolarHBondContact O-N 2.92Å; S186-E189 VanDerWaalsContact O-N 3.14Å; S186-E189 VanDerWaalsContact OG-CD 3.29Å; S186-E189 VanDerWaalsContact OG-CG 3.28Å; S186-E189 WeakPolarHBondContact OG-CG 3.44Å; S186-E189 PolarHBondContact OG-N 2.89Å; S186-E189 PolarHBondContact OG-OE2 2.96Å; S186-F190 PolarHBondContact O-N 3.44Å
187	Q	95.8	Very high	92.1	Very high	68 Å²	68	58.6 Å²	58.6	32%	0.318	31%	0.312	S	S	.	.	H	α-helix	trans	-52.1	-44.7	173.1	179.1	176.2	-8.4	0	0	112	E189 F190 E191 Y434	Q187-E189 VanDerWaalsContact C-N 3.33Å; Q187-E189 PolarHBondContact O-N 2.91Å; Q187-F190 PolarHBondContact O-N 2.89Å; Q187-E191 HydrophobicContact CG-CG 4.23Å; Q187-E191 PolarHBondContact NE2-OE1 2.84Å; Q187-E191 WeakPolarHBondContact O-CB 3.1Å; Q187-E191 VanDerWaalsContact O-CG 3.25Å; Q187-E191 WeakPolarHBondContact O-CG 3.36Å; Q187-E191 PolarHBondContact O-N 2.77Å; Q187-Y434 HydrophobicContact CB-CD1 4.1Å; Q187-Y434 HydrophobicContact CB-CD2 4.35Å; Q187-Y434 HydrophobicContact CB-CE1 3.73Å; Q187-Y434 HydrophobicContact CB-CE2 4.01Å; Q187-Y434 HydrophobicContact CB-CG 4.38Å; Q187-Y434 HydrophobicContact CG-CD1 3.62Å; Q187-Y434 HydrophobicContact CG-CD2 4.38Å; Q187-Y434 HydrophobicContact CG-CE1 3.73Å; Q187-Y434 HydrophobicContact CG-CE2 4.48Å; Q187-Y434 HydrophobicContact CG-CG 3.95Å
188	I	96.2	Very high	93.6	Very high	130 Å²	130	58.7 Å²	58.7	67%	0.667	31%	0.307	S	S	*	.	H	α-helix	trans	-61.9	-42	-178.7	-63.5	174	0	0	0	111	S186 A192	S186-I188 PolarHBondContact O-N 2.91Å; I188-A192 WeakPolarHBondContact O-CB 3.43Å; I188-A192 PolarHBondContact O-N 3.28Å
189	E	96.9	Very high	94.8	Very high	102 Å²	102	57.8 Å²	57.8	48%	0.477	29%	0.293	S	S	.	.	H	α-helix	trans	-67.8	-45	179.3	-71.1	163.8	134.3	0	0	111.7	L185 S186 Q187 A192 I193	L185-E189 HydrophobicContact CB-CB 4.43Å; L185-E189 HydrophobicContact CD2-CB 4.14Å; S186-E189 VanDerWaalsContact CB-OE2 3.3Å; S186-E189 WeakPolarHBondContact CB-OE2 3.22Å; S186-E189 PolarHBondContact N-OE2 3.04Å; S186-E189 PolarHBondContact O-N 2.92Å; S186-E189 VanDerWaalsContact O-N 3.14Å; S186-E189 VanDerWaalsContact OG-CD 3.29Å; S186-E189 VanDerWaalsContact OG-CG 3.28Å; S186-E189 WeakPolarHBondContact OG-CG 3.44Å; S186-E189 PolarHBondContact OG-N 2.89Å; S186-E189 PolarHBondContact OG-OE2 2.96Å; Q187-E189 VanDerWaalsContact C-N 3.33Å; Q187-E189 PolarHBondContact O-N 2.91Å; E189-A192 WeakPolarHBondContact O-CB 3.26Å; E189-A192 PolarHBondContact O-N 3.37Å; E189-I193 PolarHBondContact O-N 3.18Å; E189-I193 VanDerWaalsContact O-N 3.12Å
190	F	96.8	Very high	95.5	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.7	-44.2	176.6	-168	-90.7	0	0	0	111.4	L185 S186 Q187 A192 I193 V194 P211 Q213 E433 Y434 T437	L185-F190 HydrophobicContact CD1-CD2 4Å; S186-F190 PolarHBondContact O-N 3.44Å; Q187-F190 PolarHBondContact O-N 2.89Å; F190-A192 PolarHBondContact O-N 3.16Å; F190-I193 WeakPolarHBondContact O-CB 3.26Å; F190-I193 PolarHBondContact O-N 3.03Å; F190-V194 HydrophobicContact CD1-CG2 3.96Å; F190-V194 HydrophobicContact CE1-CG2 3.77Å; F190-V194 WeakPolarHBondContact O-CG2 3.27Å; F190-V194 PolarHBondContact O-N 3.13Å; F190-P211 HydrophobicContact CZ-CG 4.5Å; F190-Q213 HydrophobicContact CD2-CB 4.07Å; F190-Q213 HydrophobicContact CD2-CG 4.4Å; F190-Q213 HydrophobicContact CE2-CB 4.25Å; F190-Q213 HydrophobicContact CE2-CG 4.43Å; F190-E433 HydrophobicContact CE1-CB 4.46Å; F190-Y434 HydrophobicContact CB-CD2 3.85Å; F190-Y434 HydrophobicContact CD1-CD2 4.08Å; F190-Y434 HydrophobicContact CD1-CG 4.47Å; F190-Y434 HydrophobicContact CG-CD2 4.08Å; F190-T437 HydrophobicContact CE1-CG2 4.13Å; F190-T437 HydrophobicContact CE2-CG2 4.27Å; F190-T437 HydrophobicContact CZ-CG2 3.61Å
191	E	97.8	Very high	96	Very high	18 Å²	18	53.3 Å²	53.3	8%	0.084	27%	0.269	C	S	.	.	H	α-helix	trans	-60.8	-32.8	175.2	-72.7	-174.5	-176.7	0	0	112.4	Q187 V194 R195 P430 T431	Q187-E191 HydrophobicContact CG-CG 4.23Å; Q187-E191 PolarHBondContact NE2-OE1 2.84Å; Q187-E191 WeakPolarHBondContact O-CB 3.1Å; Q187-E191 VanDerWaalsContact O-CG 3.25Å; Q187-E191 WeakPolarHBondContact O-CG 3.36Å; Q187-E191 PolarHBondContact O-N 2.77Å; E191-V194 PolarHBondContact O-N 3.37Å; E191-R195 VanDerWaalsContact C-NH1 3.33Å; E191-R195 VanDerWaalsContact CB-NH1 3.31Å; E191-R195 WeakPolarHBondContact O-CG 3.34Å; E191-R195 PolarHBondContact O-N 2.98Å; E191-R195 PolarHBondContact O-NH1 2.89Å; E191-R195 IonicContact OE2-CZ 2.79Å; E191-R195 IonicContact OE2-NH1 2.7Å; E191-R195 IonicContact OE2-NH2 3.89Å; E191-R195 PolarHBondContact OE2-NH2 3.3Å; E191-P430 HydrophobicContact CB-CB 3.76Å; E191-P430 HydrophobicContact CG-CB 3.75Å; E191-T431 WeakPolarHBondContact OE1-CA 3.25Å; E191-T431 WeakPolarHBondContact OE1-CB 3.45Å; E191-T431 PolarHBondContact OE1-OG1 3.25Å
192	A	97.7	Very high	96.2	Very high	35 Å²	35	57.4 Å²	57.4	29%	0.289	30%	0.297	S	S	.	.	H	α-helix	trans	-66.4	-38.8	174.1	0	0	0	0	0	112	I188 E189 F190 R195 Q196	I188-A192 WeakPolarHBondContact O-CB 3.43Å; I188-A192 PolarHBondContact O-N 3.28Å; E189-A192 WeakPolarHBondContact O-CB 3.26Å; E189-A192 PolarHBondContact O-N 3.37Å; F190-A192 PolarHBondContact O-N 3.16Å; A192-R195 PolarHBondContact O-N 3.16Å; A192-Q196 WeakPolarHBondContact O-CG 3.37Å; A192-Q196 PolarHBondContact O-N 2.87Å
193	I	97.6	Very high	96.4	Very high	12 Å²	12	58.6 Å²	58.6	6%	0.062	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-44.4	172	-64.1	171.3	0	0	0	110.2	L185 E189 F190 R195 Q196 A197 P211 W379	L185-I193 HydrophobicContact CD1-CD1 3.82Å; E189-I193 PolarHBondContact O-N 3.18Å; E189-I193 VanDerWaalsContact O-N 3.12Å; F190-I193 WeakPolarHBondContact O-CB 3.26Å; F190-I193 PolarHBondContact O-N 3.03Å; I193-R195 VanDerWaalsContact C-N 3.35Å; I193-R195 PolarHBondContact O-N 3.45Å; I193-Q196 PolarHBondContact O-N 3.25Å; I193-A197 WeakPolarHBondContact O-CB 3.45Å; I193-A197 PolarHBondContact O-N 2.7Å; I193-P211 HydrophobicContact CG2-CB 3.64Å; I193-P211 HydrophobicContact CG2-CG 4.06Å; I193-W379 HydrophobicContact CD1-CB 4.47Å; I193-W379 HydrophobicContact CG1-CB 4.28Å; I193-W379 HydrophobicContact CG2-CB 3.93Å; I193-W379 HydrophobicContact CG2-CD2 4.35Å; I193-W379 HydrophobicContact CG2-CE3 4.15Å; I193-W379 HydrophobicContact CG2-CG 4.29Å
194	V	97.7	Very high	96.3	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.4	-44.3	177.3	179.4	0	0	0	0	111.2	F190 E191 Q196 A197 K198 I424 P430 E433	F190-V194 HydrophobicContact CD1-CG2 3.96Å; F190-V194 HydrophobicContact CE1-CG2 3.77Å; F190-V194 WeakPolarHBondContact O-CG2 3.27Å; F190-V194 PolarHBondContact O-N 3.13Å; E191-V194 PolarHBondContact O-N 3.37Å; V194-Q196 PolarHBondContact O-N 3.22Å; V194-A197 PolarHBondContact O-N 3.11Å; V194-K198 HydrophobicContact CG1-CD 4.39Å; V194-K198 HydrophobicContact CG1-CG 4.5Å; V194-K198 WeakPolarHBondContact O-CG 3.44Å; V194-K198 PolarHBondContact O-N 3.2Å; V194-I424 HydrophobicContact CB-CD1 4.38Å; V194-I424 HydrophobicContact CG1-CD1 3.9Å; V194-I424 HydrophobicContact CG1-CG1 4.41Å; V194-I424 HydrophobicContact CG1-CG2 3.99Å; V194-I424 HydrophobicContact CG2-CD1 3.79Å; V194-I424 HydrophobicContact CG2-CG1 4.4Å; V194-P430 HydrophobicContact CB-CB 4.12Å; V194-P430 HydrophobicContact CB-CG 4.37Å; V194-P430 HydrophobicContact CG1-CB 4.13Å; V194-P430 HydrophobicContact CG1-CG 4.02Å; V194-E433 HydrophobicContact CG1-CG 4.29Å; V194-E433 HydrophobicContact CG2-CB 4.14Å
195	R	98.2	Very high	96.3	Very high	111 Å²	111	58.6 Å²	58.6	42%	0.419	31%	0.306	S	S	.	.	H	α-helix	trans	-60.8	-45.2	176.8	-69.7	176.1	-165.7	99.8	3.9	111.8	E191 A192 I193 A197 K198 E199 P430	E191-R195 VanDerWaalsContact C-NH1 3.33Å; E191-R195 VanDerWaalsContact CB-NH1 3.31Å; E191-R195 WeakPolarHBondContact O-CG 3.34Å; E191-R195 PolarHBondContact O-N 2.98Å; E191-R195 PolarHBondContact O-NH1 2.89Å; E191-R195 IonicContact OE2-CZ 2.79Å; E191-R195 IonicContact OE2-NH1 2.7Å; E191-R195 IonicContact OE2-NH2 3.89Å; E191-R195 PolarHBondContact OE2-NH2 3.3Å; A192-R195 PolarHBondContact O-N 3.16Å; I193-R195 VanDerWaalsContact C-N 3.35Å; I193-R195 PolarHBondContact O-N 3.45Å; R195-A197 PolarHBondContact O-N 3.29Å; R195-K198 PolarHBondContact O-N 3.26Å; R195-E199 WeakPolarHBondContact O-CG 3.06Å; R195-E199 PolarHBondContact O-N 3.22Å; R195-P430 HydrophobicContact CG-CG 3.89Å
196	Q	97.2	Very high	96.3	Very high	81 Å²	81	58.1 Å²	58.1	38%	0.379	30%	0.304	S	S	.	.	H	α-helix	trans	-62.1	-41.2	175.7	-72.1	178.8	54.5	0	0	112.3	A192 I193 V194 K198 E199 R200 W379	A192-Q196 WeakPolarHBondContact O-CG 3.37Å; A192-Q196 PolarHBondContact O-N 2.87Å; I193-Q196 PolarHBondContact O-N 3.25Å; V194-Q196 PolarHBondContact O-N 3.22Å; Q196-K198 VanDerWaalsContact C-N 3.35Å; Q196-K198 PolarHBondContact O-N 3.08Å; Q196-E199 WeakPolarHBondContact O-CB 3.3Å; Q196-E199 PolarHBondContact O-N 2.75Å; Q196-R200 WeakPolarHBondContact O-CG 3.39Å; Q196-R200 PolarHBondContact O-N 3.33Å; Q196-R200 VanDerWaalsContact O-N 3.08Å; Q196-W379 HydrophobicContact CB-CZ2 4.29Å; Q196-W379 VanDerWaalsContact OE1-NE1 3.16Å
197	A	97.6	Very high	96.1	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60.1	-44.8	175.5	0	0	0	0	0	111.8	I193 V194 R195 E199 R200 I201 V209 W379 I424	I193-A197 WeakPolarHBondContact O-CB 3.45Å; I193-A197 PolarHBondContact O-N 2.7Å; V194-A197 PolarHBondContact O-N 3.11Å; R195-A197 PolarHBondContact O-N 3.29Å; A197-E199 PolarHBondContact O-N 2.67Å; A197-R200 PolarHBondContact O-N 3.17Å; A197-I201 VanDerWaalsContact O-CG1 3.29Å; A197-I201 WeakPolarHBondContact O-CG1 3.36Å; A197-I201 PolarHBondContact O-N 2.99Å; A197-V209 HydrophobicContact CB-CG1 3.52Å; A197-W379 VanDerWaalsContact CA-CH2 3.49Å; A197-W379 HydrophobicContact CB-CH2 3.85Å; A197-W379 HydrophobicContact CB-CZ3 3.74Å; A197-I424 HydrophobicContact CB-CB 4.1Å; A197-I424 HydrophobicContact CB-CG1 4.37Å; A197-I424 HydrophobicContact CB-CG2 3.78Å
198	K	97.2	Very high	95.9	Very high	56 Å²	56	59.2 Å²	59.2	24%	0.243	30%	0.301	C	S	.	.	H	α-helix	trans	-61.3	-41.9	175.5	-68.7	-176.2	73.2	171.4	0	112.8	V194 R195 Q196 R200 I201 V202 I424 Y426 S428	V194-K198 HydrophobicContact CG1-CD 4.39Å; V194-K198 HydrophobicContact CG1-CG 4.5Å; V194-K198 WeakPolarHBondContact O-CG 3.44Å; V194-K198 PolarHBondContact O-N 3.2Å; R195-K198 PolarHBondContact O-N 3.26Å; Q196-K198 VanDerWaalsContact C-N 3.35Å; Q196-K198 PolarHBondContact O-N 3.08Å; K198-R200 VanDerWaalsContact C-N 3.33Å; K198-R200 PolarHBondContact O-N 2.99Å; K198-I201 PolarHBondContact O-N 3.41Å; K198-V202 WeakPolarHBondContact O-CG2 3.33Å; K198-V202 PolarHBondContact O-N 2.79Å; K198-I424 HydrophobicContact CG-CG2 3.93Å; K198-Y426 WeakPolarHBondContact CE-O 3.41Å; K198-Y426 PolarHBondContact NZ-O 3.46Å; K198-S428 VanDerWaalsContact CD-O 3.3Å; K198-S428 WeakPolarHBondContact CD-O 3.32Å; K198-S428 WeakPolarHBondContact CE-O 3.46Å; K198-S428 PolarHBondContact NZ-O 2.98Å
199	E	97	Very high	95.9	Very high	114 Å²	114	53 Å²	53	53%	0.533	27%	0.269	S	S	.	.	H	α-helix	trans	-57.9	-45.9	174.6	-71.5	169.9	-174.5	0	0	111.2	R195 Q196 A197 I201 V202 E203	R195-E199 WeakPolarHBondContact O-CG 3.06Å; R195-E199 PolarHBondContact O-N 3.22Å; Q196-E199 WeakPolarHBondContact O-CB 3.3Å; Q196-E199 PolarHBondContact O-N 2.75Å; A197-E199 PolarHBondContact O-N 2.67Å; E199-I201 VanDerWaalsContact C-N 3.32Å; E199-I201 PolarHBondContact O-N 2.71Å; E199-V202 PolarHBondContact O-N 2.54Å; E199-E203 WeakPolarHBondContact O-CG 3.44Å; E199-E203 PolarHBondContact O-N 2.83Å
200	R	97.1	Very high	95.9	Very high	76 Å²	76	48.3 Å²	48.3	29%	0.287	25%	0.247	S	C	.	.	H	α-helix	trans	-63.6	-35.2	176	-65.2	-47.6	176.3	-171.6	-9.6	113.4	Q196 A197 K198 E203 G204 D205 V206 W379	Q196-R200 WeakPolarHBondContact O-CG 3.39Å; Q196-R200 PolarHBondContact O-N 3.33Å; Q196-R200 VanDerWaalsContact O-N 3.08Å; A197-R200 PolarHBondContact O-N 3.17Å; K198-R200 VanDerWaalsContact C-N 3.33Å; K198-R200 PolarHBondContact O-N 2.99Å; R200-E203 VanDerWaalsContact CD-OE2 3.32Å; R200-E203 WeakPolarHBondContact CD-OE2 3.39Å; R200-E203 IonicContact CZ-OE2 3.94Å; R200-E203 IonicContact NE-OE2 3.52Å; R200-E203 IonicContact NH1-OE1 2.69Å; R200-E203 IonicContact NH1-OE2 2.88Å; R200-E203 PolarHBondContact NH1-OE2 3.04Å; R200-E203 PolarHBondContact O-N 3.11Å; R200-G204 PolarHBondContact O-N 3.3Å; R200-D205 HydrophobicContact CB-CB 4.03Å; R200-D205 VanDerWaalsContact O-CB 3.25Å; R200-D205 WeakPolarHBondContact O-CB 3.37Å; R200-D205 PolarHBondContact O-N 3.41Å; R200-V206 HydrophobicContact CB-CG2 4.3Å; R200-W379 HydrophobicContact CB-CH2 4.41Å; R200-W379 HydrophobicContact CG-CH2 4.05Å; R200-W379 HydrophobicContact CG-CZ2 3.75Å
201	I	94.8	Very high	95.9	Very high	22 Å²	22	48.3 Å²	48.3	11%	0.113	25%	0.247	C	C	.	.	H	α-helix	trans	-65.3	-44.6	175.5	-66.6	161.6	0	0	0	111	A197 K198 E199 E203 G204 V206 I424	A197-I201 VanDerWaalsContact O-CG1 3.29Å; A197-I201 WeakPolarHBondContact O-CG1 3.36Å; A197-I201 PolarHBondContact O-N 2.99Å; K198-I201 PolarHBondContact O-N 3.41Å; E199-I201 VanDerWaalsContact C-N 3.32Å; E199-I201 PolarHBondContact O-N 2.71Å; I201-E203 VanDerWaalsContact C-N 3.29Å; I201-E203 PolarHBondContact O-N 3.32Å; I201-G204 PolarHBondContact O-N 3.02Å; I201-V206 VanDerWaalsContact CA-O 3.26Å; I201-V206 WeakPolarHBondContact CA-O 3.26Å; I201-V206 HydrophobicContact CG1-CG2 3.8Å; I201-V206 WeakPolarHBondContact CG1-O 3.31Å; I201-I424 HydrophobicContact CD1-CG2 4.2Å; I201-I424 VanDerWaalsContact CD1-O 3.29Å; I201-I424 WeakPolarHBondContact CD1-O 3.41Å
202	V	94.9	Very high	95.9	Very high	122 Å²	122	47.6 Å²	47.6	74%	0.739	24%	0.244	S	C	*	.	H	α-helix	trans	-64.3	-34.7	177.4	173.7	0	0	0	0	111.8	K198 E199 G204	K198-V202 WeakPolarHBondContact O-CG2 3.33Å; K198-V202 PolarHBondContact O-N 2.79Å; E199-V202 PolarHBondContact O-N 2.54Å; V202-G204 PolarHBondContact O-N 3.41Å
203	E	95.7	Very high	95.9	Very high	124 Å²	124	46 Å²	46	58%	0.579	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-9.5	174.3	-70.7	174.4	172.9	0	0	113.8	E199 R200 I201 D205	E199-E203 WeakPolarHBondContact O-CG 3.44Å; E199-E203 PolarHBondContact O-N 2.83Å; R200-E203 VanDerWaalsContact CD-OE2 3.32Å; R200-E203 WeakPolarHBondContact CD-OE2 3.39Å; R200-E203 IonicContact CZ-OE2 3.94Å; R200-E203 IonicContact NE-OE2 3.52Å; R200-E203 IonicContact NH1-OE1 2.69Å; R200-E203 IonicContact NH1-OE2 2.88Å; R200-E203 PolarHBondContact NH1-OE2 3.04Å; R200-E203 PolarHBondContact O-N 3.11Å; I201-E203 VanDerWaalsContact C-N 3.29Å; I201-E203 PolarHBondContact O-N 3.32Å; E203-D205 VanDerWaalsContact C-N 3.34Å
204	G	92.6	Very high	95.8	Very high	60 Å²	60	45.7 Å²	45.7	62%	0.619	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.6	19.3	-175.8	0	0	0	0	0	114.1	R200 I201 V202	R200-G204 PolarHBondContact O-N 3.3Å; I201-G204 PolarHBondContact O-N 3.02Å; V202-G204 PolarHBondContact O-N 3.41Å
205	D	95.2	Very high	95.7	Very high	34 Å²	34	46 Å²	46	18%	0.182	23%	0.231	C	C	.	.	S	Bend	trans	-76.6	-37.8	-179.8	-172.5	54.4	0	0	0	112.1	R200 E203 R371 R375	R200-D205 HydrophobicContact CB-CB 4.03Å; R200-D205 VanDerWaalsContact O-CB 3.25Å; R200-D205 WeakPolarHBondContact O-CB 3.37Å; R200-D205 PolarHBondContact O-N 3.41Å; E203-D205 VanDerWaalsContact C-N 3.34Å; D205-R371 VanDerWaalsContact O-CG 3.23Å; D205-R371 WeakPolarHBondContact O-CG 3.15Å; D205-R371 IonicContact OD1-CZ 3.63Å; D205-R371 IonicContact OD1-NE 3.9Å; D205-R371 PolarHBondContact OD1-NE 2.89Å; D205-R371 IonicContact OD1-NH2 2.69Å; D205-R371 PolarHBondContact OD1-NH2 3.08Å; D205-R371 IonicContact OD2-CZ 2.64Å; D205-R371 IonicContact OD2-NE 3.6Å; D205-R371 PolarHBondContact OD2-NE 3.26Å; D205-R371 IonicContact OD2-NH2 3.47Å; D205-R371 PolarHBondContact OD2-NH2 3.45Å; D205-R375 IonicContact OD1-NH2 2.96Å; D205-R375 IonicContact OD2-CZ 2.63Å; D205-R375 IonicContact OD2-NE 3.05Å; D205-R375 PolarHBondContact OD2-NE 3Å; D205-R375 IonicContact OD2-NH2 3.54Å; D205-R375 PolarHBondContact OD2-NH2 3Å
206	V	93.8	Very high	95.6	Very high	2 Å²	2	42 Å²	42	1%	0.012	22%	0.219	C	C	.	.			trans	-142.6	152.6	172.5	-67	0	0	0	0	109.3	R200 I201 V209 A367 R371 A372	R200-V206 HydrophobicContact CB-CG2 4.3Å; I201-V206 VanDerWaalsContact CA-O 3.26Å; I201-V206 WeakPolarHBondContact CA-O 3.26Å; I201-V206 HydrophobicContact CG1-CG2 3.8Å; I201-V206 WeakPolarHBondContact CG1-O 3.31Å; V206-V209 HydrophobicContact CG2-CB 4.3Å; V206-V209 HydrophobicContact CG2-CG1 4.28Å; V206-A367 CarbonylContact C-O 3.58Å; V206-R371 HydrophobicContact CG1-CB 4.12Å; V206-R371 HydrophobicContact CG1-CG 3.73Å; V206-A372 HydrophobicContact CG1-CB 4.27Å
207	F	89.8	Confident	95.4	Very high	139 Å²	139	38.4 Å²	38.4	61%	0.61	20%	0.203	S	C	*	.	S	Bend	trans	-84.6	-38	169.4	-57	-68.3	0	0	0	111.5	M302 A367 P368	F207-M302 HydrophobicContact CB-SD 4.29Å; F207-A367 HydrophobicContact CD2-CB 4.44Å; F207-A367 PolarHBondContact N-O 3.13Å; F207-P368 HydrophobicContact CD2-CG 4.3Å; F207-P368 HydrophobicContact CE2-CG 4.14Å
208	Q	91.6	Very high	95.2	Very high	5 Å²	5	45.5 Å²	45.5	2%	0.023	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	148.8	177.8	177.3	175.8	-55.2	0	0	109.5	M302 G366 A367 I424 V425	Q208-M302 HydrophobicContact CB-CE 3.93Å; Q208-M302 HydrophobicContact CB-SD 4.3Å; Q208-M302 HydrophobicContact CG-CE 4.38Å; Q208-M302 VanDerWaalsContact OE1-CE 3.29Å; Q208-G366 CarbonylContact O-C 3.41Å; Q208-G366 VanDerWaalsContact O-CA 3.25Å; Q208-G366 WeakPolarHBondContact O-CA 3.29Å; Q208-A367 PolarHBondContact N-O 3.49Å; Q208-A367 PolarHBondContact O-N 3.41Å; Q208-I424 WeakPolarHBondContact CA-O 3.32Å; Q208-V425 HydrophobicContact CB-CG1 4.4Å; Q208-V425 HydrophobicContact CG-CG1 4.29Å
209	V	96.1	Very high	94.9	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	143	171.6	58.8	0	0	0	0	109.9	A197 V206 P211 A372 I376 W379 I424	A197-V209 HydrophobicContact CB-CG1 3.52Å; V206-V209 HydrophobicContact CG2-CB 4.3Å; V206-V209 HydrophobicContact CG2-CG1 4.28Å; V209-P211 VanDerWaalsContact C-CD 3.46Å; V209-P211 WeakPolarHBondContact O-CD 3.26Å; V209-A372 HydrophobicContact CB-CB 4.27Å; V209-A372 HydrophobicContact CG2-CB 4.14Å; V209-I376 HydrophobicContact CG2-CD1 4.18Å; V209-I376 HydrophobicContact CG2-CG1 3.83Å; V209-W379 HydrophobicContact CB-CZ3 4.33Å; V209-W379 HydrophobicContact CG1-CH2 4.25Å; V209-W379 HydrophobicContact CG1-CZ3 3.72Å; V209-W379 HydrophobicContact CG2-CE3 4.48Å; V209-W379 HydrophobicContact CG2-CZ3 3.8Å; V209-I424 HydrophobicContact CG1-CB 4.3Å; V209-I424 PolarHBondContact N-O 3.2Å; V209-I424 WeakPolarHBondContact O-CB 3.43Å; V209-I424 PolarHBondContact O-N 2.97Å
210	V	96.7	Very high	94.2	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.024	23%	0.229	C	C	.	.			trans	-114.4	77.7	-173.3	-169.5	0	0	0	0	110.4	S365 R384 A422	V210-S365 PolarHBondContact N-O 3.5Å; V210-R384 PolarHBondContact O-NH2 3.17Å; V210-A422 WeakPolarHBondContact CA-O 3.34Å
211	P	97.9	Very high	93.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.225	C	C	.	.			trans	-67.1	155.9	170.3	31.7	-35.9	0	0	0	111.5	F190 I193 V209 G421 A422 I424	F190-P211 HydrophobicContact CZ-CG 4.5Å; I193-P211 HydrophobicContact CG2-CB 3.64Å; I193-P211 HydrophobicContact CG2-CG 4.06Å; V209-P211 VanDerWaalsContact C-CD 3.46Å; V209-P211 WeakPolarHBondContact O-CD 3.26Å; P211-G421 WeakPolarHBondContact O-CA 3.48Å; P211-A422 WeakPolarHBondContact CD-O 3.25Å; P211-A422 PolarHBondContact O-N 2.97Å; P211-A422 VanDerWaalsContact O-N 3.14Å; P211-I424 HydrophobicContact CG-CD1 4.31Å; P211-I424 HydrophobicContact CG-CG1 3.64Å
212	S	98	Very high	93.3	Very high	2 Å²	2	42 Å²	42	1%	0.014	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	162.3	-176.6	67.5	0	0	0	0	112.8	E380 Y387 Q419 A420	S212-E380 WeakPolarHBondContact CB-OE1 3.15Å; S212-E380 PolarHBondContact N-OE1 3.45Å; S212-E380 VanDerWaalsContact OG-CD 3.3Å; S212-E380 PolarHBondContact OG-OE1 3.37Å; S212-E380 PolarHBondContact OG-OE2 3.19Å; S212-Y387 VanDerWaalsContact CB-CE1 3.49Å; S212-Y387 WeakPolarHBondContact OG-CE1 3.23Å; S212-Q419 PolarHBondContact OG-NE2 3.38Å; S212-A420 VanDerWaalsContact CA-O 3.27Å; S212-A420 WeakPolarHBondContact CA-O 3.33Å; S212-A420 VanDerWaalsContact CB-O 3.3Å; S212-A420 WeakPolarHBondContact CB-O 3.31Å
213	Q	96.7	Very high	93.1	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	147.4	171.6	64.4	177.6	-53.7	0	0	110.5	S183 L185 F190 L215 Q419 A420 Y434 T437	S183-Q213 PolarHBondContact OG-OE1 2.83Å; L185-Q213 HydrophobicContact CD1-CB 4.16Å; F190-Q213 HydrophobicContact CD2-CB 4.07Å; F190-Q213 HydrophobicContact CD2-CG 4.4Å; F190-Q213 HydrophobicContact CE2-CB 4.25Å; F190-Q213 HydrophobicContact CE2-CG 4.43Å; Q213-L215 HydrophobicContact CG-CD1 4.41Å; Q213-Q419 WeakPolarHBondContact O-CA 3.46Å; Q213-Q419 WeakPolarHBondContact O-CG 3.49Å; Q213-A420 PolarHBondContact N-O 3.29Å; Q213-A420 PolarHBondContact O-N 2.92Å; Q213-A420 VanDerWaalsContact O-N 3.12Å; Q213-Y434 VanDerWaalsContact NE2-CD2 3.3Å; Q213-T437 PolarHBondContact NE2-OG1 3.04Å
214	R	97	Very high	92.9	Very high	6 Å²	6	31.3 Å²	31.3	2%	0.023	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	126.4	178.9	-178.7	178.3	-64.2	157.7	2.3	109.6	N184 K383 R384 H417 V418 Q419	N184-R214 PolarHBondContact N-O 3.02Å; N184-R214 PolarHBondContact OD1-N 3.29Å; N184-R214 PolarHBondContact OD1-O 3.39Å; N184-R214 VanDerWaalsContact OD1-O 3.11Å; R214-K383 PolarHBondContact NH2-O 3.24Å; R214-R384 PolarHBondContact NH2-O 3.04Å; R214-H417 HydrophobicContact CG-CB 4.4Å; R214-V418 CarbonylContact C-O 3.55Å; R214-V418 WeakPolarHBondContact CA-O 3.44Å; R214-Q419 HydrophobicContact CB-CB 4.42Å; R214-Q419 HydrophobicContact CB-CG 4.33Å
215	L	95.4	Very high	92.8	Very high	8 Å²	8	29.4 Å²	29.4	4%	0.042	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	136.9	170.8	-60.5	100	0	0	0	109.5	F181 T182 Q213 H417 V418 L438 A441 M445	F181-L215 HydrophobicContact CB-CB 4.17Å; F181-L215 HydrophobicContact CB-CD2 4.34Å; F181-L215 HydrophobicContact CD1-CB 3.94Å; F181-L215 HydrophobicContact CG-CB 4.42Å; T182-L215 CarbonylContact O-C 3.53Å; T182-L215 VanDerWaalsContact O-CA 3.28Å; T182-L215 WeakPolarHBondContact O-CA 3.26Å; Q213-L215 HydrophobicContact CG-CD1 4.41Å; L215-H417 WeakPolarHBondContact O-CA 3.17Å; L215-V418 PolarHBondContact N-O 3.21Å; L215-V418 PolarHBondContact O-N 2.89Å; L215-L438 HydrophobicContact CD2-CD2 3.83Å; L215-A441 HydrophobicContact CD1-CB 3.82Å; L215-M445 HydrophobicContact CD2-CE 4.38Å; L215-M445 HydrophobicContact CD2-SD 3.8Å
216	S	95.3	Very high	92.6	Very high	25 Å²	25	28 Å²	28	18%	0.175	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.9	-179.9	-48.5	0	0	0	0	111.6	F181 T182 A416 H417	F181-S216 CarbonylContact C-O 3.59Å; F181-S216 WeakPolarHBondContact CA-O 3.34Å; T182-S216 PolarHBondContact N-O 3.21Å; T182-S216 PolarHBondContact O-N 2.69Å; T182-S216 PolarHBondContact OG1-O 2.92Å; S216-A416 CarbonylContact C-O 3.54Å; S216-A416 VanDerWaalsContact CA-O 3.24Å; S216-A416 WeakPolarHBondContact CA-O 3.42Å; S216-H417 WeakPolarHBondContact CB-ND1 3.29Å; S216-H417 PolarHBondContact OG-ND1 3.24Å
217	A	93.6	Very high	92.6	Very high	6 Å²	6	27.9 Å²	27.9	5%	0.05	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	155.3	175.1	0	0	0	0	0	110.3	L179 E180 F181 Q415 A416	L179-A217 HydrophobicContact CB-CB 4.07Å; E180-A217 WeakPolarHBondContact O-CB 3.3Å; F181-A217 HydrophobicContact CD1-CB 3.69Å; F181-A217 HydrophobicContact CD2-CB 4.04Å; F181-A217 HydrophobicContact CE1-CB 3.73Å; F181-A217 HydrophobicContact CE2-CB 4.1Å; F181-A217 HydrophobicContact CG-CB 3.84Å; F181-A217 HydrophobicContact CZ-CB 3.93Å; A217-Q415 CarbonylContact O-C 3.29Å; A217-Q415 WeakPolarHBondContact O-CA 3.35Å; A217-A416 PolarHBondContact N-O 2.93Å; A217-A416 PolarHBondContact O-N 2.91Å
218	E	92.4	Very high	92.6	Very high	149 Å²	149	21.9 Å²	21.9	70%	0.696	12%	0.119	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	134.4	166.4	-169.7	-179.4	170.3	0	0	109.5	L179 T220	L179-E218 VanDerWaalsContact CD2-O 3.28Å; L179-E218 WeakPolarHBondContact CD2-O 3.46Å; E218-T220 HydrophobicContact CG-CG2 4.15Å
219	F	90.5	Very high	92.4	Very high	3 Å²	3	21.9 Å²	21.9	1%	0.013	12%	0.119	C	C	.	.			trans	-134.5	108.8	-175.4	-167.5	-86.7	0	0	0	110.5	L179 T221 P223 Y226 M409 V411 N414 A416	L179-F219 HydrophobicContact CD1-CD2 3.84Å; L179-F219 HydrophobicContact CD1-CE2 4.03Å; L179-F219 HydrophobicContact CD2-CD2 3.8Å; L179-F219 HydrophobicContact CD2-CE2 4.47Å; L179-F219 HydrophobicContact CG-CD2 4.49Å; F219-T221 WeakPolarHBondContact CE1-O 3.49Å; F219-T221 WeakPolarHBondContact CZ-OG1 3.42Å; F219-P223 HydrophobicContact CE1-CB 4.17Å; F219-P223 HydrophobicContact CE1-CG 3.91Å; F219-Y226 AromaticContact CE2-CD2 3.99Å; F219-Y226 HydrophobicContact CE2-CD2 3.99Å; F219-Y226 HydrophobicContact CE2-CG 4.24Å; F219-Y226 HydrophobicContact CZ-CD2 4.49Å; F219-Y226 HydrophobicContact CZ-CG 4.32Å; F219-M409 HydrophobicContact CD2-SD 4.4Å; F219-M409 HydrophobicContact CE2-SD 4.1Å; F219-V411 HydrophobicContact CB-CG1 4.48Å; F219-V411 HydrophobicContact CD1-CG1 3.63Å; F219-V411 HydrophobicContact CD1-CG2 4.07Å; F219-V411 HydrophobicContact CE1-CG1 4.17Å; F219-V411 HydrophobicContact CE1-CG2 4.07Å; F219-V411 HydrophobicContact CG-CG1 4.24Å; F219-V411 HydrophobicContact CG-CG2 4.37Å; F219-V411 HydrophobicContact CZ-CG2 4.38Å; F219-N414 PolarHBondContact N-O 2.82Å; F219-N414 CarbonylContact O-C 3.44Å; F219-N414 WeakPolarHBondContact O-CA 3.36Å; F219-A416 HydrophobicContact CB-CB 3.68Å; F219-A416 HydrophobicContact CD2-CB 3.61Å; F219-A416 HydrophobicContact CG-CB 3.87Å
220	T	84.1	Confident	92	Very high	99 Å²	99	21.9 Å²	21.9	61%	0.607	12%	0.119	S	C	*	.			trans	-118.2	0.3	-171.9	52.7	0	0	0	0	114	E218	E218-T220 HydrophobicContact CG-CG2 4.15Å
221	T	82.3	Confident	91.7	Very high	33 Å²	33	24.5 Å²	24.5	20%	0.202	13%	0.129	C	C	.	.	S	Bend	trans	-91.8	166.8	177.7	42.8	0	0	0	0	113.5	P177 F219 P223	P177-T221 HydrophobicContact CG-CG2 3.76Å; F219-T221 WeakPolarHBondContact CE1-O 3.49Å; F219-T221 WeakPolarHBondContact CZ-OG1 3.42Å; T221-P223 WeakPolarHBondContact O-CD 3.37Å
222	D	88.9	Confident	91	Very high	61 Å²	61	27.8 Å²	27.8	33%	0.326	14%	0.144	S	C	.	.			trans	-59	116	169.1	-173.2	-16.5	0	0	0	109.6	K22 F224 N225	K22-D222 IonicContact NZ-OD2 2.82Å; D222-F224 PolarHBondContact O-N 3.01Å; D222-F224 VanDerWaalsContact O-N 3.14Å; D222-F224 WeakPolarHBondContact OD1-CB 3.44Å; D222-F224 PolarHBondContact OD1-N 2.85Å; D222-N225 HydrophobicContact CB-CB 4.46Å; D222-N225 WeakPolarHBondContact O-CB 3.49Å; D222-N225 PolarHBondContact O-N 3.15Å
223	P	91.6	Very high	90.1	Very high	20 Å²	20	30.3 Å²	30.3	13%	0.13	16%	0.157	C	C	.	.	H	α-helix	trans	-56.3	-28.6	178.3	-23.8	34.3	0	0	0	113	F219 T221 N225 Y226 Y227 Y241 Q248 I250 V411	F219-P223 HydrophobicContact CE1-CB 4.17Å; F219-P223 HydrophobicContact CE1-CG 3.91Å; T221-P223 WeakPolarHBondContact O-CD 3.37Å; P223-N225 VanDerWaalsContact C-N 3.34Å; P223-N225 PolarHBondContact O-N 3.28Å; P223-Y226 WeakPolarHBondContact O-CB 3.21Å; P223-Y226 PolarHBondContact O-N 2.95Å; P223-Y227 PolarHBondContact O-N 2.95Å; P223-Y227 VanDerWaalsContact O-N 3.11Å; P223-Y241 HydrophobicContact CB-CE2 3.83Å; P223-Q248 HydrophobicContact CB-CB 4.03Å; P223-Q248 HydrophobicContact CB-CG 4.05Å; P223-Q248 HydrophobicContact CG-CB 4.34Å; P223-Q248 HydrophobicContact CG-CG 4Å; P223-I250 HydrophobicContact CB-CD1 3.9Å; P223-I250 WeakPolarHBondContact O-CD1 3.34Å; P223-V411 HydrophobicContact CB-CG2 4.46Å; P223-V411 HydrophobicContact CG-CG1 4.27Å
224	F	92.1	Very high	89.3	Confident	1 Å²	1	32.1 Å²	32.1	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-67.9	-31.8	176.4	-175.8	-114	0	0	0	112.7	E15 Y18 Y19 L28 D222 Y226 Y227 R228 Y241	E15-F224 HydrophobicContact CB-CZ 4.46Å; Y18-F224 HydrophobicContact CD1-CD1 4.16Å; Y18-F224 AromaticContact CD1-CD2 3.54Å; Y18-F224 HydrophobicContact CD1-CD2 3.54Å; Y18-F224 AromaticContact CD1-CE1 3.79Å; Y18-F224 HydrophobicContact CD1-CE1 3.79Å; Y18-F224 AromaticContact CD1-CE2 3.13Å; Y18-F224 HydrophobicContact CD1-CE2 3.13Å; Y18-F224 HydrophobicContact CD1-CG 4.05Å; Y18-F224 AromaticContact CD1-CZ 3.27Å; Y18-F224 HydrophobicContact CD1-CZ 3.27Å; Y18-F224 HydrophobicContact CD2-CE2 4.41Å; Y18-F224 HydrophobicContact CE1-CD1 4.31Å; Y18-F224 AromaticContact CE1-CD2 3.5Å; Y18-F224 HydrophobicContact CE1-CD2 3.5Å; Y18-F224 VanDerWaalsContact CE1-CD2 3.5Å; Y18-F224 HydrophobicContact CE1-CE1 4.4Å; Y18-F224 AromaticContact CE1-CE2 3.63Å; Y18-F224 HydrophobicContact CE1-CE2 3.63Å; Y18-F224 AromaticContact CE1-CG 3.87Å; Y18-F224 HydrophobicContact CE1-CG 3.87Å; Y18-F224 HydrophobicContact CE1-CZ 4.09Å; Y18-F224 HydrophobicContact CG-CD2 4.33Å; Y18-F224 AromaticContact CG-CE2 3.62Å; Y18-F224 HydrophobicContact CG-CE2 3.62Å; Y18-F224 AromaticContact CG-CZ 3.85Å; Y18-F224 HydrophobicContact CG-CZ 3.85Å; Y19-F224 HydrophobicContact CD2-CD1 4.39Å; Y19-F224 HydrophobicContact CD2-CE1 4.16Å; L28-F224 HydrophobicContact CD2-CE2 4.42Å; D222-F224 PolarHBondContact O-N 3.01Å; D222-F224 VanDerWaalsContact O-N 3.14Å; D222-F224 WeakPolarHBondContact OD1-CB 3.44Å; D222-F224 PolarHBondContact OD1-N 2.85Å; F224-Y226 VanDerWaalsContact C-N 3.31Å; F224-Y226 PolarHBondContact O-N 2.79Å; F224-Y227 HydrophobicContact CD2-CD1 4.17Å; F224-Y227 AromaticContact CE2-CD1 3.84Å; F224-Y227 HydrophobicContact CE2-CD1 3.84Å; F224-Y227 HydrophobicContact CE2-CE1 4.42Å; F224-Y227 WeakPolarHBondContact O-CB 3.32Å; F224-Y227 PolarHBondContact O-N 2.87Å; F224-R228 HydrophobicContact CD1-CG 4.32Å; F224-R228 HydrophobicContact CE1-CG 3.96Å; F224-R228 HydrophobicContact CE2-CG 4.49Å; F224-R228 HydrophobicContact CZ-CG 4.04Å; F224-R228 WeakPolarHBondContact O-CG 3.47Å; F224-R228 PolarHBondContact O-N 3.46Å; F224-Y241 HydrophobicContact CB-CE1 4.28Å; F224-Y241 HydrophobicContact CB-CE2 4.35Å; F224-Y241 HydrophobicContact CD2-CD1 4.02Å; F224-Y241 HydrophobicContact CD2-CE1 4.16Å; F224-Y241 HydrophobicContact CD2-CG 4.25Å
225	N	90.2	Very high	88.5	Confident	20 Å²	20	34.4 Å²	34.4	11%	0.107	18%	0.183	C	C	.	.	H	α-helix	trans	-64.9	-39	174.1	-76.4	-13.1	0	0	0	111.4	L174 M176 D222 P223 R228 Q229	L174-N225 HydrophobicContact CD2-CB 3.77Å; M176-N225 HydrophobicContact SD-CB 4.01Å; D222-N225 HydrophobicContact CB-CB 4.46Å; D222-N225 WeakPolarHBondContact O-CB 3.49Å; D222-N225 PolarHBondContact O-N 3.15Å; P223-N225 VanDerWaalsContact C-N 3.34Å; P223-N225 PolarHBondContact O-N 3.28Å; N225-R228 PolarHBondContact O-N 3.02Å; N225-Q229 PolarHBondContact O-N 2.89Å; N225-Q229 VanDerWaalsContact O-N 3.14Å
226	Y	90.7	Very high	88	Confident	3 Å²	3	34.7 Å²	34.7	1%	0.012	19%	0.185	C	C	.	.	H	α-helix	trans	-62.6	-43	174.1	-179.2	-81.3	0	0	0	111.2	M176 L179 F219 P223 F224 R228 Q229 L230 I250 M409 L444 L447	M176-Y226 HydrophobicContact CE-CD2 3.57Å; M176-Y226 HydrophobicContact CE-CG 4.18Å; L179-Y226 HydrophobicContact CD1-CE2 4.28Å; F219-Y226 AromaticContact CE2-CD2 3.99Å; F219-Y226 HydrophobicContact CE2-CD2 3.99Å; F219-Y226 HydrophobicContact CE2-CG 4.24Å; F219-Y226 HydrophobicContact CZ-CD2 4.49Å; F219-Y226 HydrophobicContact CZ-CG 4.32Å; P223-Y226 WeakPolarHBondContact O-CB 3.21Å; P223-Y226 PolarHBondContact O-N 2.95Å; F224-Y226 VanDerWaalsContact C-N 3.31Å; F224-Y226 PolarHBondContact O-N 2.79Å; Y226-R228 PolarHBondContact O-N 3.28Å; Y226-Q229 PolarHBondContact O-N 3.02Å; Y226-L230 HydrophobicContact CE1-CB 4.3Å; Y226-L230 HydrophobicContact CE1-CD2 4.23Å; Y226-L230 WeakPolarHBondContact O-CB 3.44Å; Y226-L230 PolarHBondContact O-N 3.37Å; Y226-I250 HydrophobicContact CD1-CB 4.49Å; Y226-I250 HydrophobicContact CD1-CD1 3.77Å; Y226-I250 HydrophobicContact CD1-CG2 4.06Å; Y226-I250 HydrophobicContact CE1-CG2 4.45Å; Y226-I250 HydrophobicContact CG-CD1 4.4Å; Y226-M409 HydrophobicContact CD1-SD 3.99Å; Y226-M409 HydrophobicContact CD2-CE 4.28Å; Y226-M409 HydrophobicContact CD2-SD 4.16Å; Y226-M409 HydrophobicContact CE1-CB 4.27Å; Y226-M409 HydrophobicContact CE1-CE 3.89Å; Y226-M409 HydrophobicContact CE1-SD 3.71Å; Y226-M409 HydrophobicContact CE2-CE 3.48Å; Y226-M409 VanDerWaalsContact CE2-CE 3.48Å; Y226-M409 HydrophobicContact CE2-SD 3.91Å; Y226-M409 HydrophobicContact CG-SD 4.23Å; Y226-M409 VanDerWaalsContact OH-CE 3.27Å; Y226-M409 WeakPolarHBondContact OH-CE 3.14Å; Y226-L444 WeakPolarHBondContact OH-CA 3.12Å; Y226-L444 WeakPolarHBondContact OH-CB 2.77Å; Y226-L444 PolarHBondContact OH-O 3.43Å; Y226-L447 HydrophobicContact CD1-CD1 4.43Å; Y226-L447 HydrophobicContact CD2-CD1 3.65Å; Y226-L447 HydrophobicContact CE1-CD1 4.17Å; Y226-L447 HydrophobicContact CE2-CD1 3.32Å; Y226-L447 HydrophobicContact CE2-CG 4.18Å; Y226-L447 HydrophobicContact CG-CD1 4.17Å
227	Y	92.8	Very high	87.8	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-55.5	-48.7	173.6	173.3	-97.9	0	0	0	112.7	L28 E30 P223 F224 Q229 L230 R231 L239 Y241 I250	L28-Y227 HydrophobicContact CD2-CD1 4.09Å; L28-Y227 HydrophobicContact CD2-CE1 3.25Å; L28-Y227 HydrophobicContact CD2-CE2 4.39Å; L28-Y227 VanDerWaalsContact CD2-CZ 3.42Å; L28-Y227 WeakPolarHBondContact CD2-OH 3.39Å; L28-Y227 HydrophobicContact CG-CE1 4.42Å; E30-Y227 VanDerWaalsContact CD-OH 3.23Å; E30-Y227 WeakPolarHBondContact CG-OH 3.19Å; E30-Y227 PolarHBondContact OE1-OH 3.28Å; P223-Y227 PolarHBondContact O-N 2.95Å; P223-Y227 VanDerWaalsContact O-N 3.11Å; F224-Y227 HydrophobicContact CD2-CD1 4.17Å; F224-Y227 AromaticContact CE2-CD1 3.84Å; F224-Y227 HydrophobicContact CE2-CD1 3.84Å; F224-Y227 HydrophobicContact CE2-CE1 4.42Å; F224-Y227 WeakPolarHBondContact O-CB 3.32Å; F224-Y227 PolarHBondContact O-N 2.87Å; Y227-Q229 VanDerWaalsContact C-N 3.29Å; Y227-Q229 PolarHBondContact O-N 3.39Å; Y227-L230 PolarHBondContact O-N 2.97Å; Y227-R231 WeakPolarHBondContact O-CB 3.24Å; Y227-R231 PolarHBondContact O-N 2.82Å; Y227-L239 HydrophobicContact CE2-CB 4.16Å; Y227-Y241 HydrophobicContact CG-CD2 4.34Å; Y227-Y241 HydrophobicContact CG-CG 4.38Å; Y227-I250 HydrophobicContact CD2-CG2 3.78Å; Y227-I250 HydrophobicContact CG-CG2 4.25Å
228	R	91.2	Very high	87.9	Confident	14 Å²	14	34.4 Å²	34.4	5%	0.053	19%	0.185	C	C	.	.	H	α-helix	trans	-57.1	-44.4	179.8	-68.6	175.2	60.1	-155	-5	111.5	E15 P172 L174 F224 N225 Y226 Q232	E15-R228 HydrophobicContact CG-CG 4.14Å; E15-R228 WeakPolarHBondContact OE1-CB 3.39Å; E15-R228 WeakPolarHBondContact OE1-CG 3.21Å; E15-R228 IonicContact OE1-CZ 3.26Å; E15-R228 IonicContact OE1-NE 3.78Å; E15-R228 PolarHBondContact OE1-NE 2.95Å; P172-R228 PolarHBondContact O-NH1 3.5Å; L174-R228 HydrophobicContact CD2-CB 4.03Å; F224-R228 HydrophobicContact CD1-CG 4.32Å; F224-R228 HydrophobicContact CE1-CG 3.96Å; F224-R228 HydrophobicContact CE2-CG 4.49Å; F224-R228 HydrophobicContact CZ-CG 4.04Å; F224-R228 WeakPolarHBondContact O-CG 3.47Å; F224-R228 PolarHBondContact O-N 3.46Å; N225-R228 PolarHBondContact O-N 3.02Å; Y226-R228 PolarHBondContact O-N 3.28Å; R228-Q232 WeakPolarHBondContact O-CG 3.35Å; R228-Q232 PolarHBondContact O-N 2.95Å
229	Q	86.9	Confident	88.1	Confident	4 Å²	4	27.7 Å²	27.7	2%	0.019	15%	0.153	C	C	.	.	H	α-helix	trans	-71	-39.4	179	-164.2	-174.4	25.8	0	0	112.2	N225 Y226 Y227 R231 Q232 N233 L447 L448	N225-Q229 PolarHBondContact O-N 2.89Å; N225-Q229 VanDerWaalsContact O-N 3.14Å; Y226-Q229 PolarHBondContact O-N 3.02Å; Y227-Q229 VanDerWaalsContact C-N 3.29Å; Y227-Q229 PolarHBondContact O-N 3.39Å; Q229-R231 VanDerWaalsContact C-N 3.34Å; Q229-R231 PolarHBondContact O-N 2.85Å; Q229-Q232 PolarHBondContact O-N 2.87Å; Q229-N233 PolarHBondContact O-N 3.19Å; Q229-L447 HydrophobicContact CB-CD1 4.04Å; Q229-L447 HydrophobicContact CG-CB 3.85Å; Q229-L447 HydrophobicContact CG-CD1 4.13Å; Q229-L447 HydrophobicContact CG-CG 4.5Å; Q229-L447 PolarHBondContact NE2-O 3.2Å; Q229-L448 PolarHBondContact NE2-O 2.72Å
230	L	88.6	Confident	88.4	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-59.9	-44.7	174.9	178.1	62.3	0	0	0	111.5	Y226 Y227 Q232 N233 N234 I250 L444 L447	Y226-L230 HydrophobicContact CE1-CB 4.3Å; Y226-L230 HydrophobicContact CE1-CD2 4.23Å; Y226-L230 WeakPolarHBondContact O-CB 3.44Å; Y226-L230 PolarHBondContact O-N 3.37Å; Y227-L230 PolarHBondContact O-N 2.97Å; L230-Q232 PolarHBondContact O-N 3.35Å; L230-N233 PolarHBondContact O-N 2.8Å; L230-N234 HydrophobicContact CD1-CB 4.05Å; L230-N234 CarbonylContact O-C 3.44Å; L230-N234 PolarHBondContact O-N 2.97Å; L230-I250 HydrophobicContact CD2-CG2 4.3Å; L230-L444 HydrophobicContact CD1-CD2 3.69Å; L230-L444 HydrophobicContact CD2-CD2 3.92Å; L230-L444 HydrophobicContact CG-CD2 4.48Å; L230-L447 HydrophobicContact CB-CD1 4.33Å; L230-L447 HydrophobicContact CD1-CD2 4.17Å
231	R	88.8	Confident	89	Confident	59 Å²	59	23 Å²	23	22%	0.223	13%	0.125	C	C	.	.	H	α-helix	trans	-58	-35.8	178.1	177.3	176.5	-175.4	-83.7	-7.8	112.7	E15 E30 Y227 Q229 L239	E15-R231 IonicContact OE2-NH1 2.85Å; E15-R231 PolarHBondContact OE2-NH1 2.93Å; E30-R231 VanDerWaalsContact OE1-CD 3.25Å; E30-R231 WeakPolarHBondContact OE1-CD 3.36Å; E30-R231 IonicContact OE1-CZ 3.26Å; E30-R231 IonicContact OE1-NE 2.87Å; E30-R231 PolarHBondContact OE1-NE 3.24Å; E30-R231 IonicContact OE2-CZ 2.87Å; E30-R231 IonicContact OE2-NE 3.98Å; E30-R231 PolarHBondContact OE2-NE 3.41Å; E30-R231 VanDerWaalsContact OE2-NE 3.14Å; E30-R231 IonicContact OE2-NH2 2.93Å; E30-R231 PolarHBondContact OE2-NH2 3.46Å; Y227-R231 WeakPolarHBondContact O-CB 3.24Å; Y227-R231 PolarHBondContact O-N 2.82Å; Q229-R231 VanDerWaalsContact C-N 3.34Å; Q229-R231 PolarHBondContact O-N 2.85Å; R231-L239 HydrophobicContact CB-CD2 4.2Å; R231-L239 HydrophobicContact CG-CD1 4.03Å; R231-L239 HydrophobicContact CG-CD2 4.49Å
232	Q	83.2	Confident	89.7	Confident	68 Å²	68	21.5 Å²	21.5	32%	0.318	12%	0.115	S	C	.	.	H	α-helix	trans	-77.4	-46.6	177.9	-68.1	176.5	-0.2	0	0	112.4	R228 Q229 L230 E450	R228-Q232 WeakPolarHBondContact O-CG 3.35Å; R228-Q232 PolarHBondContact O-N 2.95Å; Q229-Q232 PolarHBondContact O-N 2.87Å; L230-Q232 PolarHBondContact O-N 3.35Å; Q232-E450 PolarHBondContact NE2-OE1 3.23Å; Q232-E450 PolarHBondContact OE1-OE1 3.4Å
233	N	79.9	Confident	90	Very high	55 Å²	55	20.2 Å²	20.2	29%	0.294	11%	0.108	S	C	.	.	H	α-helix	trans	-77.1	-34.5	-173.4	-70.3	-13.4	0	0	0	112.9	Q229 L230 L447 L448	Q229-N233 PolarHBondContact O-N 3.19Å; L230-N233 PolarHBondContact O-N 2.8Å; N233-L447 HydrophobicContact CB-CD2 3.93Å; N233-L447 WeakPolarHBondContact ND2-CA 3.45Å; N233-L448 PolarHBondContact ND2-N 2.91Å; N233-L448 PolarHBondContact ND2-O 3.48Å
234	N	79.5	Confident	90.1	Very high	39 Å²	39	19.3 Å²	19.3	21%	0.209	10%	0.102	C	C	.	.	S	Bend	trans	-134.7	70.8	-175.2	-62.4	-80.3	0	0	0	110.9	L230 S236 S252 A443	L230-N234 HydrophobicContact CD1-CB 4.05Å; L230-N234 CarbonylContact O-C 3.44Å; L230-N234 PolarHBondContact O-N 2.97Å; N234-S236 PolarHBondContact O-N 3.4Å; N234-S252 PolarHBondContact O-OG 3.5Å; N234-A443 PolarHBondContact ND2-O 3.06Å
235	P	80.5	Confident	89.9	Confident	54 Å²	54	22 Å²	22	35%	0.351	12%	0.12	S	C	.	.			trans	-67.3	123.4	173.9	27.6	-33.5	0	0	0	110.6
236	S	85.9	Confident	89.8	Confident	14 Å²	14	26.9 Å²	26.9	10%	0.098	15%	0.146	C	C	.	.			trans	-124.9	178	179.1	-56.8	0	0	0	0	112.3	N234 Y238 S252 S253	N234-S236 PolarHBondContact O-N 3.4Å; S236-Y238 PolarHBondContact O-N 3.07Å; S236-S252 WeakPolarHBondContact CB-OG 3.15Å; S236-S252 PolarHBondContact OG-O 3.2Å; S236-S252 VanDerWaalsContact OG-O 3.11Å; S236-S252 PolarHBondContact OG-OG 2.92Å; S236-S253 WeakPolarHBondContact CB-O 3.13Å
237	A	90	Very high	90	Very high	25 Å²	25	26.9 Å²	26.9	21%	0.207	15%	0.146	C	C	.	.	S	Bend	trans	-62.2	-30	179.1	0	0	0	0	0	113.4	R31 R32	R31-A237 PolarHBondContact NH1-O 2.95Å; R31-A237 VanDerWaalsContact NH1-O 3.08Å; R32-A237 PolarHBondContact N-O 3.43Å; R32-A237 WeakPolarHBondContact O-CA 3.36Å
238	Y	95.3	Very high	90.2	Very high	1 Å²	1	28.3 Å²	28.3	0%	0.004	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131	175.8	-63	-91.3	0	0	0	109.9	F29 E30 R31 S236 S252 S253 S256 D401 A403	F29-Y238 HydrophobicContact CE1-CD1 4.5Å; F29-Y238 AromaticContact CE2-CD1 3.95Å; F29-Y238 HydrophobicContact CE2-CD1 3.95Å; F29-Y238 AromaticContact CZ-CD1 3.57Å; F29-Y238 HydrophobicContact CZ-CD1 3.57Å; F29-Y238 AromaticContact CZ-CE1 3.83Å; F29-Y238 HydrophobicContact CZ-CE1 3.83Å; E30-Y238 WeakPolarHBondContact O-CA 3.47Å; R31-Y238 PolarHBondContact NE-OH 2.85Å; S236-Y238 PolarHBondContact O-N 3.07Å; Y238-S252 CarbonylContact O-C 3.59Å; Y238-S252 VanDerWaalsContact O-CA 3.28Å; Y238-S252 WeakPolarHBondContact O-CA 3.4Å; Y238-S253 WeakPolarHBondContact CB-O 3.43Å; Y238-S253 PolarHBondContact N-O 3.16Å; Y238-S253 PolarHBondContact O-N 2.9Å; Y238-S256 WeakPolarHBondContact OH-CB 3.47Å; Y238-S256 PolarHBondContact OH-OG 3.07Å; Y238-S256 VanDerWaalsContact OH-OG 3.07Å; Y238-D401 WeakPolarHBondContact CE1-OD1 3.32Å; Y238-D401 WeakPolarHBondContact CE1-OD2 3.39Å; Y238-D401 PolarHBondContact OH-OD1 3.46Å; Y238-A403 HydrophobicContact CD1-CB 3.71Å; Y238-A403 HydrophobicContact CD2-CB 3.75Å; Y238-A403 HydrophobicContact CE1-CB 4.18Å; Y238-A403 HydrophobicContact CE2-CB 4.27Å; Y238-A403 HydrophobicContact CG-CB 3.45Å; Y238-A403 VanDerWaalsContact CG-CB 3.45Å
239	L	96.5	Very high	90.5	Very high	8 Å²	8	27.6 Å²	27.6	4%	0.042	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	144.2	166.6	-69.1	144.5	0	0	0	108.3	F29 E30 Y227 R231 G251 S252	F29-L239 CarbonylContact C-O 3.51Å; E30-L239 HydrophobicContact CB-CB 4.05Å; E30-L239 HydrophobicContact CG-CB 4.26Å; E30-L239 PolarHBondContact N-O 2.75Å; E30-L239 PolarHBondContact O-N 3.44Å; Y227-L239 HydrophobicContact CE2-CB 4.16Å; R231-L239 HydrophobicContact CB-CD2 4.2Å; R231-L239 HydrophobicContact CG-CD1 4.03Å; R231-L239 HydrophobicContact CG-CD2 4.49Å; L239-G251 WeakPolarHBondContact CA-O 3.43Å; L239-S252 WeakPolarHBondContact CD2-OG 3.33Å
240	Y	97.7	Very high	91	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	148.5	178.3	43.1	-97.7	0	0	0	112.2	L28 V249 I250 G251 V391 A403 T408	L28-Y240 CarbonylContact O-C 3.26Å; L28-Y240 VanDerWaalsContact O-CA 3.23Å; L28-Y240 WeakPolarHBondContact O-CA 3.35Å; Y240-V249 HydrophobicContact CE2-CG1 4.28Å; Y240-I250 WeakPolarHBondContact O-CA 3.5Å; Y240-G251 PolarHBondContact N-O 2.87Å; Y240-G251 PolarHBondContact O-N 3.33Å; Y240-V391 HydrophobicContact CD1-CB 4.29Å; Y240-V391 HydrophobicContact CD1-CG1 3.85Å; Y240-V391 HydrophobicContact CD2-CB 4.36Å; Y240-V391 HydrophobicContact CD2-CG1 3.63Å; Y240-V391 HydrophobicContact CE1-CB 4.1Å; Y240-V391 HydrophobicContact CE1-CG1 4.14Å; Y240-V391 HydrophobicContact CE2-CB 4.14Å; Y240-V391 HydrophobicContact CE2-CG1 3.91Å; Y240-V391 HydrophobicContact CE2-CG2 4Å; Y240-V391 HydrophobicContact CG-CB 4.42Å; Y240-V391 HydrophobicContact CG-CG1 3.58Å; Y240-A403 HydrophobicContact CE1-CB 4.27Å; Y240-T408 HydrophobicContact CE2-CG2 3.98Å; Y240-T408 PolarHBondContact OH-OG1 3.07Å
241	Y	97.2	Very high	91.3	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.016	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	108.6	170.9	-179.2	-98.9	0	0	0	108.3	Y18 L28 P223 F224 Y227 D243 Q248 V249 I250	Y18-Y241 HydrophobicContact CE1-CD1 4.24Å; Y18-Y241 HydrophobicContact CE1-CE1 4.16Å; Y18-Y241 AromaticContact CE2-CD1 3.86Å; Y18-Y241 HydrophobicContact CE2-CD1 3.86Å; Y18-Y241 HydrophobicContact CE2-CE1 4.35Å; Y18-Y241 AromaticContact CZ-CD1 3.58Å; Y18-Y241 AromaticContact CZ-CE1 3.62Å; Y18-Y241 WeakPolarHBondContact OH-CD1 3.42Å; Y18-Y241 WeakPolarHBondContact OH-CE1 3.44Å; L28-Y241 PolarHBondContact N-O 3.48Å; L28-Y241 PolarHBondContact O-N 3.36Å; P223-Y241 HydrophobicContact CB-CE2 3.83Å; F224-Y241 HydrophobicContact CB-CE1 4.28Å; F224-Y241 HydrophobicContact CB-CE2 4.35Å; F224-Y241 HydrophobicContact CD2-CD1 4.02Å; F224-Y241 HydrophobicContact CD2-CE1 4.16Å; F224-Y241 HydrophobicContact CD2-CG 4.25Å; Y227-Y241 HydrophobicContact CG-CD2 4.34Å; Y227-Y241 HydrophobicContact CG-CG 4.38Å; Y241-D243 HydrophobicContact CE1-CB 3.79Å; Y241-Q248 HydrophobicContact CE2-CB 4.4Å; Y241-V249 CarbonylContact C-O 3.48Å; Y241-V249 WeakPolarHBondContact CA-O 3.45Å; Y241-I250 HydrophobicContact CD2-CB 4.48Å; Y241-I250 HydrophobicContact CD2-CD1 4.46Å; Y241-I250 HydrophobicContact CD2-CG1 3.87Å; Y241-I250 HydrophobicContact CD2-CG2 4.23Å; Y241-I250 HydrophobicContact CE2-CD1 4.26Å; Y241-I250 HydrophobicContact CE2-CG1 4Å
242	L	97.2	Very high	91.5	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	118.7	177.9	-49.3	-179.8	0	0	0	108.8	L93 Y95 F244 Q248 V249 V391	L93-L242 HydrophobicContact CD2-CD2 3.52Å; L93-L242 HydrophobicContact CG-CD2 4.48Å; Y95-L242 HydrophobicContact CD1-CD1 4.35Å; L242-F244 HydrophobicContact CB-CD2 4.1Å; L242-F244 HydrophobicContact CB-CE2 3.58Å; L242-F244 HydrophobicContact CB-CZ 4.26Å; L242-F244 HydrophobicContact CD1-CE2 3.85Å; L242-F244 HydrophobicContact CD1-CZ 4.27Å; L242-F244 HydrophobicContact CG-CE2 4.36Å; L242-Q248 WeakPolarHBondContact O-CA 3.35Å; L242-V249 HydrophobicContact CB-CB 4.11Å; L242-V249 HydrophobicContact CD1-CB 4.25Å; L242-V249 HydrophobicContact CG-CB 4.34Å; L242-V249 PolarHBondContact N-O 3.24Å; L242-V249 PolarHBondContact O-N 3.2Å; L242-V391 HydrophobicContact CD1-CG1 3.86Å
243	D	94.6	Very high	92	Very high	34 Å²	34	21.3 Å²	21.3	18%	0.182	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	77.9	-177.5	-164.8	8.4	0	0	0	111.3	G25 T26 Y241 Q248	G25-D243 WeakPolarHBondContact CA-O 3.41Å; G25-D243 PolarHBondContact N-O 3.04Å; T26-D243 WeakPolarHBondContact O-CB 3.41Å; Y241-D243 HydrophobicContact CE1-CB 3.79Å; D243-Q248 WeakPolarHBondContact OD1-CG 3.49Å; D243-Q248 PolarHBondContact OD1-NE2 2.86Å; D243-Q248 VanDerWaalsContact OD1-NE2 3.16Å
244	F	94.5	Very high	92.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.122	C	C	.	.			trans	-80.4	157.9	170.3	-56.2	-76.5	0	0	0	110.2	Y95 Q121 Y123 L242 D246 V247 Q248	Y95-F244 HydrophobicContact CD1-CD2 4.45Å; Y95-F244 AromaticContact CD1-CE2 3.66Å; Y95-F244 HydrophobicContact CD1-CE2 3.66Å; Y95-F244 HydrophobicContact CD1-CZ 4.27Å; Y95-F244 HydrophobicContact CE1-CD2 4.04Å; Y95-F244 AromaticContact CE1-CE2 3.65Å; Y95-F244 HydrophobicContact CE1-CE2 3.65Å; Y95-F244 HydrophobicContact CE1-CZ 4.35Å; Q121-F244 HydrophobicContact CB-CE1 4.33Å; Q121-F244 HydrophobicContact CB-CZ 4.3Å; Q121-F244 VanDerWaalsContact CD-CD1 3.43Å; Q121-F244 HydrophobicContact CG-CD1 3.62Å; Q121-F244 HydrophobicContact CG-CE1 3.55Å; Q121-F244 HydrophobicContact CG-CG 4.17Å; Q121-F244 HydrophobicContact CG-CZ 4.01Å; Q121-F244 WeakPolarHBondContact O-CZ 3.31Å; Y123-F244 AromaticContact CD2-CD1 3.57Å; Y123-F244 HydrophobicContact CD2-CD1 3.57Å; Y123-F244 AromaticContact CD2-CE1 3.37Å; Y123-F244 HydrophobicContact CD2-CE1 3.37Å; Y123-F244 HydrophobicContact CD2-CZ 4.4Å; Y123-F244 AromaticContact CE2-CD1 3.19Å; Y123-F244 HydrophobicContact CE2-CD1 3.19Å; Y123-F244 AromaticContact CE2-CE1 3.56Å; Y123-F244 HydrophobicContact CE2-CE1 3.56Å; Y123-F244 HydrophobicContact CE2-CG 4.14Å; Y123-F244 HydrophobicContact CG-CD1 4.46Å; Y123-F244 HydrophobicContact CG-CE1 4.09Å; Y123-F244 AromaticContact CZ-CD1 3.87Å; L242-F244 HydrophobicContact CB-CD2 4.1Å; L242-F244 HydrophobicContact CB-CE2 3.58Å; L242-F244 HydrophobicContact CB-CZ 4.26Å; L242-F244 HydrophobicContact CD1-CE2 3.85Å; L242-F244 HydrophobicContact CD1-CZ 4.27Å; L242-F244 HydrophobicContact CG-CE2 4.36Å; F244-D246 VanDerWaalsContact C-N 3.28Å; F244-D246 PolarHBondContact O-N 3.04Å; F244-D246 VanDerWaalsContact O-N 3.16Å; F244-V247 CarbonylContact C-O 3.48Å; F244-V247 WeakPolarHBondContact CA-O 3.41Å; F244-V247 HydrophobicContact CB-CG1 3.9Å; F244-V247 VanDerWaalsContact CB-O 3.26Å; F244-V247 WeakPolarHBondContact CB-O 3.48Å; F244-V247 HydrophobicContact CD2-CG1 4.25Å; F244-V247 HydrophobicContact CG-CG1 4.46Å; F244-V247 PolarHBondContact N-O 3.39Å; F244-V247 VanDerWaalsContact N-O 3.11Å; F244-V247 PolarHBondContact O-N 2.88Å; F244-Q248 PolarHBondContact O-NE2 3.25Å; F244-Q248 VanDerWaalsContact O-NE2 3.16Å
245	P	86.5	Confident	92.8	Very high	58 Å²	58	19.6 Å²	19.6	38%	0.377	12%	0.116	S	C	.	.	S	Bend	trans	-61.5	-34.8	-168	-24.7	37.5	0	0	0	113.9	Y123	Y123-P245 VanDerWaalsContact OH-CD 3.25Å; Y123-P245 WeakPolarHBondContact OH-CD 3.32Å; Y123-P245 WeakPolarHBondContact OH-CG 3.41Å
246	D	89.3	Confident	93.4	Very high	122 Å²	122	17.6 Å²	17.6	65%	0.652	10%	0.103	S	C	*	.	S	Bend	trans	-112.8	-5	-175.6	-54.6	-47.4	0	0	0	113	F244	F244-D246 VanDerWaalsContact C-N 3.28Å; F244-D246 PolarHBondContact O-N 3.04Å; F244-D246 VanDerWaalsContact O-N 3.16Å
247	V	95	Very high	93.9	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.018	10%	0.099	C	C	.	.			trans	-150.9	128.5	-176.6	60.7	0	0	0	0	111.4	V117 F244 V249 I386 V410 V411 K412	V117-V247 HydrophobicContact CG1-CB 4.21Å; V117-V247 HydrophobicContact CG1-CG1 4.5Å; V117-V247 HydrophobicContact CG1-CG2 3.93Å; F244-V247 CarbonylContact C-O 3.48Å; F244-V247 WeakPolarHBondContact CA-O 3.41Å; F244-V247 HydrophobicContact CB-CG1 3.9Å; F244-V247 VanDerWaalsContact CB-O 3.26Å; F244-V247 WeakPolarHBondContact CB-O 3.48Å; F244-V247 HydrophobicContact CD2-CG1 4.25Å; F244-V247 HydrophobicContact CG-CG1 4.46Å; F244-V247 PolarHBondContact N-O 3.39Å; F244-V247 VanDerWaalsContact N-O 3.11Å; F244-V247 PolarHBondContact O-N 2.88Å; V247-V249 HydrophobicContact CG2-CG2 4.38Å; V247-I386 HydrophobicContact CG2-CD1 4.48Å; V247-V410 HydrophobicContact CG2-CG1 3.49Å; V247-V410 VanDerWaalsContact CG2-CG1 3.49Å; V247-V411 CarbonylContact C-O 3.51Å; V247-V411 WeakPolarHBondContact CA-O 3.25Å; V247-K412 HydrophobicContact CG2-CB 4.48Å
248	Q	95.8	Very high	94.3	Very high	30 Å²	30	16 Å²	16	14%	0.14	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	134.3	169.9	-64.5	72.3	40.5	0	0	110	P223 Y241 L242 D243 F244 V410 V411	P223-Q248 HydrophobicContact CB-CB 4.03Å; P223-Q248 HydrophobicContact CB-CG 4.05Å; P223-Q248 HydrophobicContact CG-CB 4.34Å; P223-Q248 HydrophobicContact CG-CG 4Å; Y241-Q248 HydrophobicContact CE2-CB 4.4Å; L242-Q248 WeakPolarHBondContact O-CA 3.35Å; D243-Q248 WeakPolarHBondContact OD1-CG 3.49Å; D243-Q248 PolarHBondContact OD1-NE2 2.86Å; D243-Q248 VanDerWaalsContact OD1-NE2 3.16Å; F244-Q248 PolarHBondContact O-NE2 3.25Å; F244-Q248 VanDerWaalsContact O-NE2 3.16Å; Q248-V410 WeakPolarHBondContact O-CA 3.36Å; Q248-V411 HydrophobicContact CB-CB 4.24Å; Q248-V411 PolarHBondContact N-O 3.09Å; Q248-V411 PolarHBondContact O-N 3.08Å
249	V	97.7	Very high	94.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	114.9	178.8	-171.7	0	0	0	0	108.9	Y95 Y240 Y241 L242 V247 I386 V391 T408	Y95-V249 HydrophobicContact CD1-CG2 4.08Å; Y95-V249 HydrophobicContact CE1-CG2 4.19Å; Y240-V249 HydrophobicContact CE2-CG1 4.28Å; Y241-V249 CarbonylContact C-O 3.48Å; Y241-V249 WeakPolarHBondContact CA-O 3.45Å; L242-V249 HydrophobicContact CB-CB 4.11Å; L242-V249 HydrophobicContact CD1-CB 4.25Å; L242-V249 HydrophobicContact CG-CB 4.34Å; L242-V249 PolarHBondContact N-O 3.24Å; L242-V249 PolarHBondContact O-N 3.2Å; V247-V249 HydrophobicContact CG2-CG2 4.38Å; V249-I386 HydrophobicContact CG1-CG2 4.18Å; V249-I386 HydrophobicContact CG2-CD1 3.7Å; V249-V391 HydrophobicContact CG1-CG2 4.47Å; V249-T408 HydrophobicContact CG1-CG2 3.58Å
250	I	96.6	Very high	94.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.2	-173.7	-37.6	174.7	0	0	0	108.6	P223 Y226 Y227 L230 Y240 Y241 T408 M409 V411	P223-I250 HydrophobicContact CB-CD1 3.9Å; P223-I250 WeakPolarHBondContact O-CD1 3.34Å; Y226-I250 HydrophobicContact CD1-CB 4.49Å; Y226-I250 HydrophobicContact CD1-CD1 3.77Å; Y226-I250 HydrophobicContact CD1-CG2 4.06Å; Y226-I250 HydrophobicContact CE1-CG2 4.45Å; Y226-I250 HydrophobicContact CG-CD1 4.4Å; Y227-I250 HydrophobicContact CD2-CG2 3.78Å; Y227-I250 HydrophobicContact CG-CG2 4.25Å; L230-I250 HydrophobicContact CD2-CG2 4.3Å; Y240-I250 WeakPolarHBondContact O-CA 3.5Å; Y241-I250 HydrophobicContact CD2-CB 4.48Å; Y241-I250 HydrophobicContact CD2-CD1 4.46Å; Y241-I250 HydrophobicContact CD2-CG1 3.87Å; Y241-I250 HydrophobicContact CD2-CG2 4.23Å; Y241-I250 HydrophobicContact CE2-CD1 4.26Å; Y241-I250 HydrophobicContact CE2-CG1 4Å; I250-T408 CarbonylContact O-C 3.59Å; I250-T408 VanDerWaalsContact O-CA 3.3Å; I250-T408 WeakPolarHBondContact O-CA 3.49Å; I250-M409 HydrophobicContact CB-CB 4.47Å; I250-M409 PolarHBondContact N-O 2.97Å; I250-M409 PolarHBondContact O-N 3.24Å; I250-V411 HydrophobicContact CD1-CG2 4.05Å
251	G	95.4	Very high	94.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	162.3	178.8	0	0	0	0	0	116.1	L239 Y240 R407	L239-G251 WeakPolarHBondContact CA-O 3.43Å; Y240-G251 PolarHBondContact N-O 2.87Å; Y240-G251 PolarHBondContact O-N 3.33Å; G251-R407 VanDerWaalsContact CA-O 3.27Å; G251-R407 WeakPolarHBondContact CA-O 3.22Å
252	S	94	Very high	93.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	70.5	176.7	-175.3	0	0	0	0	109	N234 S236 Y238 L239 R407	N234-S252 PolarHBondContact O-OG 3.5Å; S236-S252 WeakPolarHBondContact CB-OG 3.15Å; S236-S252 PolarHBondContact OG-O 3.2Å; S236-S252 VanDerWaalsContact OG-O 3.11Å; S236-S252 PolarHBondContact OG-OG 2.92Å; Y238-S252 CarbonylContact O-C 3.59Å; Y238-S252 VanDerWaalsContact O-CA 3.28Å; Y238-S252 WeakPolarHBondContact O-CA 3.4Å; L239-S252 WeakPolarHBondContact CD2-OG 3.33Å; S252-R407 PolarHBondContact N-O 3.35Å; S252-R407 WeakPolarHBondContact O-CB 3.18Å
253	S	93.4	Very high	93.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	131.9	-174.8	-176.4	0	0	0	0	111.1	S236 Y238 E255 I404	S236-S253 WeakPolarHBondContact CB-O 3.13Å; Y238-S253 WeakPolarHBondContact CB-O 3.43Å; Y238-S253 PolarHBondContact N-O 3.16Å; Y238-S253 PolarHBondContact O-N 2.9Å; S253-E255 PolarHBondContact OG-N 3.37Å; S253-E255 PolarHBondContact OG-O 3.03Å; S253-I404 VanDerWaalsContact CB-O 3.25Å; S253-I404 WeakPolarHBondContact CB-O 3.41Å; S253-I404 PolarHBondContact OG-O 3.2Å
254	P	87.6	Confident	93.6	Very high	40 Å²	40	31.5 Å²	31.5	26%	0.26	18%	0.177	S	C	.	.			trans	-81.9	-14.9	175.7	33.2	-34.4	0	0	0	113.2	I406	P254-I406 HydrophobicContact CG-CD1 4.21Å
255	E	89.2	Confident	93.8	Very high	18 Å²	18	31.5 Å²	31.5	8%	0.084	18%	0.177	C	C	.	.			trans	-124.2	132.3	-162.6	-164.4	176.6	178.4	0	0	112.6	S253 I270 T363 A403 I404 I406	S253-E255 PolarHBondContact OG-N 3.37Å; S253-E255 PolarHBondContact OG-O 3.03Å; E255-I270 HydrophobicContact CG-CD1 4.25Å; E255-I270 HydrophobicContact CG-CG1 4.32Å; E255-T363 WeakPolarHBondContact OE1-CG2 3.37Å; E255-T363 PolarHBondContact OE1-OG1 3.4Å; E255-T363 PolarHBondContact OE2-OG1 3.34Å; E255-A403 WeakPolarHBondContact O-CA 3.34Å; E255-I404 HydrophobicContact CB-CD1 3.95Å; E255-I404 HydrophobicContact CB-CG1 4.5Å; E255-I404 HydrophobicContact CG-CD1 3.6Å; E255-I404 HydrophobicContact CG-CG1 4.47Å; E255-I404 PolarHBondContact O-N 3.38Å; E255-I404 WeakPolarHBondContact OE2-CD1 3.24Å; E255-I406 HydrophobicContact CB-CD1 4.44Å
256	S	93.2	Very high	94.2	Very high	12 Å²	12	30.3 Å²	30.3	8%	0.084	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	133.6	172.5	-178.1	0	0	0	0	109.9	Y238 T259	Y238-S256 WeakPolarHBondContact OH-CB 3.47Å; Y238-S256 PolarHBondContact OH-OG 3.07Å; Y238-S256 VanDerWaalsContact OH-OG 3.07Å; S256-T259 PolarHBondContact OG-OG1 3.12Å
257	L	96	Very high	94.4	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.016	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-59.5	168.5	175.7	62.8	0	0	0	109.7	T267 L355 L359 A361 A390 F402 I404	L257-T267 WeakPolarHBondContact O-CB 3.36Å; L257-T267 PolarHBondContact O-OG1 3.05Å; L257-L355 HydrophobicContact CD2-CD1 3.5Å; L257-L355 HydrophobicContact CG-CD1 4.47Å; L257-L359 HydrophobicContact CD2-CD1 4.14Å; L257-A361 HydrophobicContact CD1-CB 3.73Å; L257-A390 HydrophobicContact CD2-CB 3.57Å; L257-F402 HydrophobicContact CB-CB 4.49Å; L257-F402 WeakPolarHBondContact CB-O 3.33Å; L257-F402 PolarHBondContact N-O 3.14Å; L257-I404 HydrophobicContact CB-CG1 3.83Å; L257-I404 HydrophobicContact CD1-CG1 4.4Å
258	V	97	Very high	94.2	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	139.3	-178.5	67.6	0	0	0	0	110.9	V260 V265 T266 A354 L355 T358 F402	V258-V260 HydrophobicContact CG2-CG2 4.36Å; V258-V265 HydrophobicContact CG2-CG2 3.5Å; V258-V265 VanDerWaalsContact CG2-CG2 3.5Å; V258-T266 WeakPolarHBondContact CA-O 3.34Å; V258-A354 HydrophobicContact CG2-CB 4.1Å; V258-L355 HydrophobicContact CG1-CB 4.36Å; V258-L355 HydrophobicContact CG1-CD1 3.98Å; V258-T358 HydrophobicContact CB-CG2 4.37Å; V258-T358 HydrophobicContact CG2-CG2 4.36Å; V258-F402 HydrophobicContact CG1-CB 4.35Å; V258-F402 HydrophobicContact CG1-CD2 4.45Å; V258-F402 PolarHBondContact N-O 2.84Å; V258-F402 PolarHBondContact O-N 3.16Å
259	T	96.5	Very high	93.8	Very high	21 Å²	21	25.7 Å²	25.7	13%	0.129	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.3	170.5	-48.9	0	0	0	0	108.8	S256 E261 V265 T266 A400 D401	S256-T259 PolarHBondContact OG-OG1 3.12Å; T259-E261 HydrophobicContact CG2-CG 4.28Å; T259-V265 CarbonylContact O-C 3.58Å; T259-V265 WeakPolarHBondContact O-CA 3.37Å; T259-T266 PolarHBondContact N-O 3.04Å; T259-T266 PolarHBondContact O-N 2.84Å; T259-A400 CarbonylContact C-O 3.59Å; T259-A400 VanDerWaalsContact CA-O 3.31Å; T259-A400 WeakPolarHBondContact CA-O 3.39Å; T259-A400 WeakPolarHBondContact CG2-O 3.47Å; T259-D401 HydrophobicContact CG2-CB 4.18Å; T259-D401 PolarHBondContact OG1-OD1 3.23Å
260	V	96.7	Very high	93.2	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	116.1	177.6	-178.6	0	0	0	0	108.8	V258 L264 V265 L345 A351 A354 Q399 A400	V258-V260 HydrophobicContact CG2-CG2 4.36Å; V260-L264 WeakPolarHBondContact CA-O 3.3Å; V260-V265 HydrophobicContact CG2-CB 4.25Å; V260-V265 HydrophobicContact CG2-CG2 4.07Å; V260-L345 HydrophobicContact CG1-CD1 3.77Å; V260-A351 HydrophobicContact CB-CB 3.95Å; V260-A351 HydrophobicContact CG1-CB 4.06Å; V260-A351 HydrophobicContact CG2-CB 4.04Å; V260-A354 HydrophobicContact CG2-CB 3.67Å; V260-Q399 VanDerWaalsContact O-CA 3.31Å; V260-Q399 WeakPolarHBondContact O-CA 3.43Å; V260-A400 HydrophobicContact CB-CB 4.45Å; V260-A400 PolarHBondContact N-O 3.31Å; V260-A400 PolarHBondContact O-N 3.35Å
261	E	92.8	Very high	92.6	Very high	97 Å²	97	27.1 Å²	27.1	45%	0.453	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	109	176.3	-68.9	-179	-175.9	0	0	108.4	T259 E263 L264	T259-E261 HydrophobicContact CG2-CG 4.28Å; E261-E263 PolarHBondContact O-N 2.86Å; E261-L264 PolarHBondContact N-O 3.11Å; E261-L264 WeakPolarHBondContact O-CB 3.27Å; E261-L264 PolarHBondContact O-N 2.96Å
262	A	88.9	Confident	92.1	Very high	72 Å²	72	27.4 Å²	27.4	60%	0.595	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	-120.9	-168.2	0	0	0	0	0	111
263	E	93.1	Very high	91.6	Very high	105 Å²	105	30.4 Å²	30.4	49%	0.491	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-3.8	179.3	-57.5	178.7	126.1	0	0	113.4	E261 K344 L345	E261-E263 PolarHBondContact O-N 2.86Å; E263-K344 HydrophobicContact CB-CG 4.09Å; E263-K344 CarbonylContact O-C 3.49Å; E263-K344 WeakPolarHBondContact O-CA 3.14Å; E263-K344 IonicContact OE1-NZ 2.89Å; E263-K344 WeakPolarHBondContact OE2-CE 3.27Å; E263-K344 IonicContact OE2-NZ 3.31Å; E263-K344 PolarHBondContact OE2-NZ 3.39Å; E263-L345 PolarHBondContact O-N 2.76Å
264	L	96.8	Very high	91.2	Very high	79 Å²	79	32.5 Å²	32.5	41%	0.414	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	116.8	-175.8	-174.3	71.1	0	0	0	110.5	V260 E261	V260-L264 WeakPolarHBondContact CA-O 3.3Å; E261-L264 PolarHBondContact N-O 3.11Å; E261-L264 WeakPolarHBondContact O-CB 3.27Å; E261-L264 PolarHBondContact O-N 2.96Å
265	V	97.4	Very high	91.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	135.4	170.5	58.1	0	0	0	0	110.1	V258 T259 V260 L311 T342 A343 L345 A354	V258-V265 HydrophobicContact CG2-CG2 3.5Å; V258-V265 VanDerWaalsContact CG2-CG2 3.5Å; T259-V265 CarbonylContact O-C 3.58Å; T259-V265 WeakPolarHBondContact O-CA 3.37Å; V260-V265 HydrophobicContact CG2-CB 4.25Å; V260-V265 HydrophobicContact CG2-CG2 4.07Å; V265-L311 HydrophobicContact CB-CD2 4.43Å; V265-L311 HydrophobicContact CG1-CD1 4.27Å; V265-L311 HydrophobicContact CG1-CD2 4.01Å; V265-L311 HydrophobicContact CG2-CD2 3.54Å; V265-T342 CarbonylContact O-C 3.58Å; V265-T342 VanDerWaalsContact O-CA 3.26Å; V265-T342 WeakPolarHBondContact O-CA 3.18Å; V265-A343 HydrophobicContact CG1-CB 3.85Å; V265-A343 VanDerWaalsContact CG1-O 3.31Å; V265-A343 WeakPolarHBondContact CG1-O 3.4Å; V265-A343 PolarHBondContact N-O 3.16Å; V265-A343 PolarHBondContact O-N 2.73Å; V265-L345 HydrophobicContact CB-CD2 4.18Å; V265-L345 HydrophobicContact CB-CG 4.22Å; V265-L345 HydrophobicContact CG1-CD2 3.97Å; V265-L345 HydrophobicContact CG1-CG 4.17Å; V265-A354 HydrophobicContact CG2-CB 3.81Å
266	T	96.1	Very high	91.1	Very high	33 Å²	33	39.9 Å²	39.9	20%	0.202	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	139.2	-177.8	-56.9	0	0	0	0	110.9	V258 T259 V340 V341 T342	V258-T266 WeakPolarHBondContact CA-O 3.34Å; T259-T266 PolarHBondContact N-O 3.04Å; T259-T266 PolarHBondContact O-N 2.84Å; T266-V340 HydrophobicContact CG2-CG1 3.59Å; T266-V341 WeakPolarHBondContact CA-O 3.43Å; T266-T342 HydrophobicContact CG2-CG2 4.06Å
267	T	93.9	Very high	90.6	Very high	16 Å²	16	40.1 Å²	40.1	10%	0.098	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	149.7	164.5	-176.1	0	0	0	0	109.2	L257 P269 L311 V341	L257-T267 WeakPolarHBondContact O-CB 3.36Å; L257-T267 PolarHBondContact O-OG1 3.05Å; T267-P269 WeakPolarHBondContact O-CD 3.47Å; T267-L311 HydrophobicContact CG2-CD1 4.09Å; T267-L311 HydrophobicContact CG2-CG 4.34Å; T267-V341 HydrophobicContact CG2-CB 3.77Å; T267-V341 HydrophobicContact CG2-CG2 4.31Å; T267-V341 PolarHBondContact N-O 3.18Å; T267-V341 PolarHBondContact O-N 2.92Å
268	N	89.7	Confident	90	Very high	33 Å²	33	44.5 Å²	44.5	18%	0.176	25%	0.25	C	C	.	.			trans	-126.7	78.5	-172.8	-173.8	78.2	0	0	0	111.2	I270 V338 S339 V340	N268-I270 WeakPolarHBondContact ND2-CG1 3.47Å; N268-I270 WeakPolarHBondContact O-CG1 3.49Å; N268-I270 PolarHBondContact O-N 3.18Å; N268-V338 VanDerWaalsContact OD1-CG1 3.25Å; N268-V338 WeakPolarHBondContact OD1-CG1 3.29Å; N268-S339 CarbonylContact C-O 3.35Å; N268-S339 WeakPolarHBondContact CA-O 2.96Å; N268-S339 PolarHBondContact OD1-O 3.42Å; N268-V340 WeakPolarHBondContact OD1-CG2 3.14Å
269	P	87.2	Confident	89.5	Confident	8 Å²	8	48.8 Å²	48.8	5%	0.052	27%	0.273	C	S	.	.			trans	-55.8	127.8	175.3	-26.5	34.8	0	0	0	112.3	T267 H300 L303 V304 S339 V341	T267-P269 WeakPolarHBondContact O-CD 3.47Å; P269-H300 PolarHBondContact O-CE1 3.44Å; P269-H300 VanDerWaalsContact O-CE1 3.25Å; P269-L303 HydrophobicContact CB-CB 4.1Å; P269-V304 HydrophobicContact CB-CG2 4.3Å; P269-V304 HydrophobicContact CG-CG2 4.37Å; P269-S339 VanDerWaalsContact CD-O 3.24Å; P269-S339 WeakPolarHBondContact CD-O 3.08Å; P269-S339 PolarHBondContact O-N 3.45Å; P269-S339 VanDerWaalsContact O-N 3.14Å; P269-V341 HydrophobicContact CG-CG2 4.28Å
270	I	86.4	Confident	89.2	Confident	22 Å²	22	54.8 Å²	54.8	11%	0.113	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124	173.4	-53	-178.8	0	0	0	108.5	E255 N268 H336 V338	E255-I270 HydrophobicContact CG-CD1 4.25Å; E255-I270 HydrophobicContact CG-CG1 4.32Å; N268-I270 WeakPolarHBondContact ND2-CG1 3.47Å; N268-I270 WeakPolarHBondContact O-CG1 3.49Å; N268-I270 PolarHBondContact O-N 3.18Å; I270-H336 HydrophobicContact CG2-CB 3.61Å; I270-V338 HydrophobicContact CG1-CG2 4.26Å; I270-V338 HydrophobicContact CG2-CG2 4.37Å
271	A	84	Confident	89	Confident	9 Å²	9	62.5 Å²	62.5	7%	0.074	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	152.2	173.7	0	0	0	0	0	110.9	H300 L303 L337	A271-H300 HydrophobicContact CB-CB 4.15Å; A271-H300 PolarHBondContact N-ND1 3.3Å; A271-H300 PolarHBondContact O-ND1 3.22Å; A271-H300 VanDerWaalsContact O-ND1 3.15Å; A271-L303 HydrophobicContact CB-CD1 3.42Å; A271-L303 VanDerWaalsContact CB-CD1 3.42Å; A271-L337 PolarHBondContact N-O 3.03Å; A271-L337 VanDerWaalsContact O-CB 3.26Å; A271-L337 WeakPolarHBondContact O-CB 3.34Å
272	G	83.7	Confident	89	Confident	6 Å²	6	60.9 Å²	60.9	6%	0.062	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	80.2	130	-170.9	0	0	0	0	0	112.8	E296 H336 L337	G272-E296 WeakPolarHBondContact CA-OE2 3.28Å; G272-H336 VanDerWaalsContact O-CA 3.27Å; G272-H336 WeakPolarHBondContact O-CA 3.38Å; G272-H336 PolarHBondContact O-ND1 3.46Å; G272-L337 PolarHBondContact O-N 3.49Å
273	T	83.5	Confident	89.1	Confident	62 Å²	62	57.9 Å²	57.9	38%	0.38	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	140.5	-172.3	-54.1	0	0	0	0	111.4	V334 M335 H336	T273-V334 HydrophobicContact CG2-CB 3.87Å; T273-V334 HydrophobicContact CG2-CG1 3.96Å; T273-V334 HydrophobicContact CG2-CG2 4.49Å; T273-M335 WeakPolarHBondContact CA-O 3.29Å; T273-H336 VanDerWaalsContact CG2-CE1 3.44Å; T273-H336 WeakPolarHBondContact CG2-CE1 3.35Å; T273-H336 PolarHBondContact OG1-CE1 2.97Å; T273-H336 PolarHBondContact OG1-ND1 3.28Å
274	R	86.3	Confident	89.2	Confident	45 Å²	45	56.8 Å²	56.8	17%	0.17	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	154	161.4	-70	-63.6	-176.5	-85.1	-0.3	110.1	L286 E289 L290 D293 E296 V334 M335	R274-L286 HydrophobicContact CB-CB 4.42Å; R274-E289 IonicContact CZ-OE1 3.77Å; R274-E289 IonicContact NE-OE1 3.92Å; R274-E289 PolarHBondContact NE-OE1 2.93Å; R274-E289 IonicContact NH2-OE1 2.89Å; R274-E289 PolarHBondContact NH2-OE1 2.88Å; R274-L290 HydrophobicContact CB-CD2 4.4Å; R274-L290 HydrophobicContact CG-CB 3.81Å; R274-L290 HydrophobicContact CG-CD1 4.31Å; R274-L290 HydrophobicContact CG-CD2 4.21Å; R274-L290 HydrophobicContact CG-CG 4.32Å; R274-D293 IonicContact CZ-OD2 3.8Å; R274-D293 IonicContact NH2-OD2 3.94Å; R274-D293 PolarHBondContact NH2-OD2 2.83Å; R274-E296 IonicContact NH1-OE1 2.88Å; R274-E296 PolarHBondContact NH1-OE1 3.31Å; R274-V334 CarbonylContact O-C 3.53Å; R274-V334 VanDerWaalsContact O-CA 3.22Å; R274-V334 WeakPolarHBondContact O-CA 3.46Å; R274-V334 WeakPolarHBondContact O-CB 3.39Å; R274-M335 HydrophobicContact CB-CG 3.99Å; R274-M335 HydrophobicContact CB-SD 4.37Å; R274-M335 PolarHBondContact N-O 3.48Å; R274-M335 VanDerWaalsContact N-O 3.08Å; R274-M335 PolarHBondContact O-N 3.28Å
275	K	86.7	Confident	89.1	Confident	128 Å²	128	55.6 Å²	55.6	56%	0.557	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.3	156.5	168.5	64.4	176.9	-174.8	170.9	0	110	E282 L286	K275-E282 IonicContact NZ-OE1 3.73Å; K275-L286 HydrophobicContact CG-CD1 4.1Å; K275-L286 WeakPolarHBondContact O-CD1 3.25Å
276	R	87.6	Confident	89	Confident	85 Å²	85	56.5 Å²	56.5	32%	0.321	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-68.1	145.2	165.8	-63.4	-61.3	-56.9	-69.9	-6.3	110.2	D283 Y331 F333	R276-D283 WeakPolarHBondContact CA-OD1 3.23Å; R276-D283 WeakPolarHBondContact CD-OD1 3.4Å; R276-D283 IonicContact CZ-OD1 3.48Å; R276-D283 IonicContact CZ-OD2 3.33Å; R276-D283 IonicContact NE-OD1 2.75Å; R276-D283 PolarHBondContact NE-OD1 3.49Å; R276-D283 IonicContact NE-OD2 3.48Å; R276-D283 PolarHBondContact NE-OD2 3.27Å; R276-D283 IonicContact NH2-OD1 3.57Å; R276-D283 IonicContact NH2-OD2 2.8Å; R276-D283 PolarHBondContact NH2-OD2 2.81Å; R276-Y331 WeakPolarHBondContact CD-O 3.5Å; R276-Y331 PolarHBondContact NH1-O 3.11Å; R276-F333 VanDerWaalsContact CG-C 3.47Å; R276-F333 PolarHBondContact N-O 3.14Å
277	G	82.2	Confident	89	Confident	16 Å²	16	55.1 Å²	55.1	17%	0.165	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-69.8	153	175.2	0	0	0	0	0	112	N279 D283	G277-N279 PolarHBondContact O-N 3.14Å; G277-D283 PolarHBondContact N-OD1 3.43Å
278	A	83.4	Confident	89	Confident	95 Å²	95	60.5 Å²	60.5	79%	0.785	32%	0.317	S	S	*	.	S	Bend	trans	-68.7	-19.4	175.5	0	0	0	0	0	112.4	E282	A278-E282 VanDerWaalsContact CB-OE2 3.28Å; A278-E282 WeakPolarHBondContact CB-OE2 3.43Å; A278-E282 PolarHBondContact N-OE2 3.42Å
279	N	87.7	Confident	89.2	Confident	91 Å²	91	63.4 Å²	63.4	49%	0.487	33%	0.33	S	S	.	.	S	Bend	trans	-143	172	173.3	61.6	56.7	0	0	0	109.9	G277 E281 E282 D283	G277-N279 PolarHBondContact O-N 3.14Å; N279-E281 VanDerWaalsContact C-N 3.33Å; N279-E281 PolarHBondContact O-N 3.11Å; N279-E281 PolarHBondContact OD1-N 2.67Å; N279-E281 VanDerWaalsContact OD1-N 3.12Å; N279-E282 PolarHBondContact O-N 2.77Å; N279-E282 PolarHBondContact OD1-N 3.3Å; N279-D283 WeakPolarHBondContact O-CB 3.38Å; N279-D283 PolarHBondContact O-N 2.74Å
280	Q	89.8	Confident	89.5	Confident	147 Å²	147	63 Å²	63	69%	0.687	33%	0.327	S	S	*	.	H	α-helix	trans	-62	-36.9	-176.9	-176.8	177.8	-11.6	0	0	113.3	D283 E284	Q280-D283 PolarHBondContact O-N 2.89Å; Q280-E284 PolarHBondContact NE2-OE1 3.43Å; Q280-E284 WeakPolarHBondContact O-CG 3.33Å; Q280-E284 PolarHBondContact O-N 3.41Å
281	E	91.8	Very high	89.9	Confident	163 Å²	163	66.1 Å²	66.1	76%	0.762	34%	0.341	S	S	*	.	H	α-helix	trans	-67.4	-45.2	-178.7	-174.3	176.3	-176.1	0	0	111.3	N279 D283 E284 A285	N279-E281 VanDerWaalsContact C-N 3.33Å; N279-E281 PolarHBondContact O-N 3.11Å; N279-E281 PolarHBondContact OD1-N 2.67Å; N279-E281 VanDerWaalsContact OD1-N 3.12Å; E281-D283 VanDerWaalsContact C-N 3.34Å; E281-E284 PolarHBondContact O-N 3.05Å; E281-A285 WeakPolarHBondContact O-CB 3.5Å; E281-A285 PolarHBondContact O-N 3.02Å
282	E	92.2	Very high	90.3	Very high	64 Å²	64	71.2 Å²	71.2	30%	0.299	37%	0.367	S	S	.	.	H	α-helix	trans	-63.4	-39.9	173.1	-169.1	-172.7	175.7	0	0	111.1	K275 A278 N279 E284 A285 L286	K275-E282 IonicContact NZ-OE1 3.73Å; A278-E282 VanDerWaalsContact CB-OE2 3.28Å; A278-E282 WeakPolarHBondContact CB-OE2 3.43Å; A278-E282 PolarHBondContact N-OE2 3.42Å; N279-E282 PolarHBondContact O-N 2.77Å; N279-E282 PolarHBondContact OD1-N 3.3Å; E282-E284 PolarHBondContact O-N 2.81Å; E282-A285 PolarHBondContact O-N 2.98Å; E282-L286 HydrophobicContact CG-CD1 4.07Å; E282-L286 HydrophobicContact CG-CG 4.43Å; E282-L286 WeakPolarHBondContact O-CB 3.49Å; E282-L286 VanDerWaalsContact O-CG 3.29Å; E282-L286 WeakPolarHBondContact O-CG 3.44Å; E282-L286 PolarHBondContact O-N 2.83Å
283	D	92.2	Very high	90.6	Very high	8 Å²	8	72.7 Å²	72.7	4%	0.043	37%	0.374	C	S	.	.	H	α-helix	trans	-64.2	-38.7	178.6	-161	67.4	0	0	0	112.3	R276 G277 N279 Q280 E281 A287 R330 M335	R276-D283 WeakPolarHBondContact CA-OD1 3.23Å; R276-D283 WeakPolarHBondContact CD-OD1 3.4Å; R276-D283 IonicContact CZ-OD1 3.48Å; R276-D283 IonicContact CZ-OD2 3.33Å; R276-D283 IonicContact NE-OD1 2.75Å; R276-D283 PolarHBondContact NE-OD1 3.49Å; R276-D283 IonicContact NE-OD2 3.48Å; R276-D283 PolarHBondContact NE-OD2 3.27Å; R276-D283 IonicContact NH2-OD1 3.57Å; R276-D283 IonicContact NH2-OD2 2.8Å; R276-D283 PolarHBondContact NH2-OD2 2.81Å; G277-D283 PolarHBondContact N-OD1 3.43Å; N279-D283 WeakPolarHBondContact O-CB 3.38Å; N279-D283 PolarHBondContact O-N 2.74Å; Q280-D283 PolarHBondContact O-N 2.89Å; E281-D283 VanDerWaalsContact C-N 3.34Å; D283-A287 WeakPolarHBondContact O-CB 3.46Å; D283-A287 PolarHBondContact O-N 2.71Å; D283-R330 WeakPolarHBondContact OD2-CD 3.43Å; D283-R330 IonicContact OD2-NE 3.77Å; D283-R330 PolarHBondContact OD2-NE 3.27Å; D283-M335 WeakPolarHBondContact O-CE 3.46Å; D283-M335 WeakPolarHBondContact OD1-CE 3.23Å
284	E	95.5	Very high	90.7	Very high	82 Å²	82	74.8 Å²	74.8	38%	0.383	39%	0.388	S	S	.	.	H	α-helix	trans	-71.4	-35.9	174	-73.4	179.5	-162.4	0	0	112.4	Q280 E281 E282 A287 K288	Q280-E284 PolarHBondContact NE2-OE1 3.43Å; Q280-E284 WeakPolarHBondContact O-CG 3.33Å; Q280-E284 PolarHBondContact O-N 3.41Å; E281-E284 PolarHBondContact O-N 3.05Å; E282-E284 PolarHBondContact O-N 2.81Å; E284-A287 PolarHBondContact O-N 2.87Å; E284-K288 WeakPolarHBondContact O-CG 3.41Å; E284-K288 PolarHBondContact O-N 2.75Å
285	A	94.6	Very high	90.6	Very high	55 Å²	55	77 Å²	77	46%	0.455	40%	0.399	S	S	.	.	H	α-helix	trans	-65	-46.9	174.9	0	0	0	0	0	111.6	E281 E282 A287 K288 E289	E281-A285 WeakPolarHBondContact O-CB 3.5Å; E281-A285 PolarHBondContact O-N 3.02Å; E282-A285 PolarHBondContact O-N 2.98Å; A285-A287 VanDerWaalsContact C-N 3.33Å; A285-A287 PolarHBondContact O-N 3.35Å; A285-K288 PolarHBondContact O-N 2.83Å; A285-E289 PolarHBondContact O-N 2.87Å
286	L	94.8	Very high	90.6	Very high	19 Å²	19	72.4 Å²	72.4	10%	0.099	38%	0.38	C	S	.	.	H	α-helix	trans	-62.8	-38.3	176.1	-70.7	169.4	0	0	0	111.9	R274 K275 E282 E289 L290 M335	R274-L286 HydrophobicContact CB-CB 4.42Å; K275-L286 HydrophobicContact CG-CD1 4.1Å; K275-L286 WeakPolarHBondContact O-CD1 3.25Å; E282-L286 HydrophobicContact CG-CD1 4.07Å; E282-L286 HydrophobicContact CG-CG 4.43Å; E282-L286 WeakPolarHBondContact O-CB 3.49Å; E282-L286 VanDerWaalsContact O-CG 3.29Å; E282-L286 WeakPolarHBondContact O-CG 3.44Å; E282-L286 PolarHBondContact O-N 2.83Å; L286-E289 PolarHBondContact O-N 3.19Å; L286-L290 WeakPolarHBondContact O-CB 3.34Å; L286-L290 PolarHBondContact O-N 3.41Å; L286-M335 HydrophobicContact CB-CE 4.1Å; L286-M335 HydrophobicContact CB-SD 4.46Å
287	A	95.2	Very high	90.7	Very high	4 Å²	4	69.8 Å²	69.8	3%	0.033	37%	0.372	C	S	.	.	H	α-helix	trans	-63.8	-43.3	174.3	0	0	0	0	0	112.1	D283 E284 A285 L290 Q291 I328 M335	D283-A287 WeakPolarHBondContact O-CB 3.46Å; D283-A287 PolarHBondContact O-N 2.71Å; E284-A287 PolarHBondContact O-N 2.87Å; A285-A287 VanDerWaalsContact C-N 3.33Å; A285-A287 PolarHBondContact O-N 3.35Å; A287-L290 PolarHBondContact O-N 3.14Å; A287-Q291 WeakPolarHBondContact O-CB 3.37Å; A287-Q291 VanDerWaalsContact O-CG 3.32Å; A287-Q291 WeakPolarHBondContact O-CG 3.39Å; A287-Q291 PolarHBondContact O-N 3.42Å; A287-I328 HydrophobicContact CB-CG1 4.39Å; A287-I328 HydrophobicContact CB-CG2 4.21Å; A287-M335 WeakPolarHBondContact CA-SD 3.41Å; A287-M335 HydrophobicContact CB-CE 4.45Å; A287-M335 HydrophobicContact CB-SD 3.63Å
288	K	95	Very high	90.9	Very high	128 Å²	128	71.8 Å²	71.8	56%	0.557	39%	0.387	S	S	*	.	H	α-helix	trans	-66.1	-38.6	175.4	-75.8	173	-175.7	166.4	0	111.9	E284 A285 N292	E284-K288 WeakPolarHBondContact O-CG 3.41Å; E284-K288 PolarHBondContact O-N 2.75Å; A285-K288 PolarHBondContact O-N 2.83Å; K288-N292 WeakPolarHBondContact O-CB 3.08Å; K288-N292 PolarHBondContact O-N 3.05Å; K288-N292 PolarHBondContact O-ND2 2.95Å
289	E	94.1	Very high	90.9	Very high	94 Å²	94	69.7 Å²	69.7	44%	0.439	36%	0.361	S	S	.	.	H	α-helix	trans	-60.2	-52.4	174.4	-171.4	-159.6	130.2	0	0	110.2	R274 A285 L286 Q291 N292 D293	R274-E289 IonicContact CZ-OE1 3.77Å; R274-E289 IonicContact NE-OE1 3.92Å; R274-E289 PolarHBondContact NE-OE1 2.93Å; R274-E289 IonicContact NH2-OE1 2.89Å; R274-E289 PolarHBondContact NH2-OE1 2.88Å; A285-E289 PolarHBondContact O-N 2.87Å; L286-E289 PolarHBondContact O-N 3.19Å; E289-Q291 VanDerWaalsContact C-N 3.35Å; E289-Q291 PolarHBondContact O-N 3.43Å; E289-N292 CarbonylContact O-C 3.58Å; E289-N292 PolarHBondContact O-N 2.96Å; E289-D293 PolarHBondContact O-N 2.76Å
290	L	93.5	Very high	91	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-60.2	-41.5	179.3	-177.8	56.2	0	0	0	112.6	R274 L286 A287 N292 D293 E296 I328 M335 L337	R274-L290 HydrophobicContact CB-CD2 4.4Å; R274-L290 HydrophobicContact CG-CB 3.81Å; R274-L290 HydrophobicContact CG-CD1 4.31Å; R274-L290 HydrophobicContact CG-CD2 4.21Å; R274-L290 HydrophobicContact CG-CG 4.32Å; L286-L290 WeakPolarHBondContact O-CB 3.34Å; L286-L290 PolarHBondContact O-N 3.41Å; A287-L290 PolarHBondContact O-N 3.14Å; L290-N292 PolarHBondContact O-N 3.36Å; L290-D293 PolarHBondContact O-N 3.45Å; L290-E296 HydrophobicContact CD1-CB 3.99Å; L290-E296 HydrophobicContact CD1-CG 3.89Å; L290-I328 HydrophobicContact CB-CD1 4.13Å; L290-I328 HydrophobicContact CD2-CD1 3.64Å; L290-I328 HydrophobicContact CG-CD1 3.95Å; L290-M335 HydrophobicContact CD2-CG 4.06Å; L290-L337 HydrophobicContact CD1-CD1 4.23Å; L290-L337 HydrophobicContact CD1-CG 4.3Å; L290-L337 HydrophobicContact CD2-CG 4.27Å; L290-L337 HydrophobicContact CG-CD1 4.26Å; L290-L337 HydrophobicContact CG-CD2 4.22Å; L290-L337 HydrophobicContact CG-CG 3.9Å
291	Q	93.3	Very high	91.1	Very high	87 Å²	87	64.1 Å²	64.1	41%	0.407	33%	0.326	S	S	.	.	H	α-helix	trans	-66.2	-19.4	176.8	-78.2	-177.5	-24.6	0	0	114.3	A287 E289 I297 I328 L337	A287-Q291 WeakPolarHBondContact O-CB 3.37Å; A287-Q291 VanDerWaalsContact O-CG 3.32Å; A287-Q291 WeakPolarHBondContact O-CG 3.39Å; A287-Q291 PolarHBondContact O-N 3.42Å; E289-Q291 VanDerWaalsContact C-N 3.35Å; E289-Q291 PolarHBondContact O-N 3.43Å; Q291-I297 WeakPolarHBondContact O-CD1 3.26Å; Q291-I328 HydrophobicContact CG-CD1 3.85Å; Q291-I328 HydrophobicContact CG-CG1 3.38Å; Q291-I328 VanDerWaalsContact NE2-CG1 3.28Å; Q291-L337 HydrophobicContact CG-CD2 4.06Å
292	N	92.8	Very high	90.8	Very high	117 Å²	117	58.4 Å²	58.4	63%	0.626	30%	0.3	S	S	*	.	H	α-helix	trans	-113.7	-1.3	-177.6	-67.8	-62.2	0	0	0	113.2	K288 E289 L290 P294	K288-N292 WeakPolarHBondContact O-CB 3.08Å; K288-N292 PolarHBondContact O-N 3.05Å; K288-N292 PolarHBondContact O-ND2 2.95Å; E289-N292 CarbonylContact O-C 3.58Å; E289-N292 PolarHBondContact O-N 2.96Å; L290-N292 PolarHBondContact O-N 3.36Å; N292-P294 WeakPolarHBondContact O-CD 3.44Å
293	D	90	Very high	90.6	Very high	36 Å²	36	55.8 Å²	55.8	19%	0.193	29%	0.288	C	S	.	.			trans	-68.7	110	177.3	-172.9	-30.8	0	0	0	109.8	R274 E289 L290 K295 E296 I297	R274-D293 IonicContact CZ-OD2 3.8Å; R274-D293 IonicContact NH2-OD2 3.94Å; R274-D293 PolarHBondContact NH2-OD2 2.83Å; E289-D293 PolarHBondContact O-N 2.76Å; L290-D293 PolarHBondContact O-N 3.45Å; D293-K295 PolarHBondContact O-N 2.91Å; D293-K295 VanDerWaalsContact O-N 3.16Å; D293-K295 WeakPolarHBondContact OD1-CB 3.47Å; D293-K295 PolarHBondContact OD1-N 3.42Å; D293-E296 HydrophobicContact CB-CB 3.99Å; D293-E296 HydrophobicContact CB-CG 3.75Å; D293-E296 VanDerWaalsContact CG-CG 3.43Å; D293-E296 PolarHBondContact O-N 3Å; D293-E296 PolarHBondContact OD1-N 3.23Å; D293-E296 WeakPolarHBondContact OD2-CG 3.47Å; D293-I297 WeakPolarHBondContact O-CB 3.49Å; D293-I297 WeakPolarHBondContact O-CD1 3.18Å; D293-I297 WeakPolarHBondContact O-CG1 3.44Å; D293-I297 PolarHBondContact O-N 2.93Å
294	P	87.1	Confident	90.6	Very high	106 Å²	106	55.5 Å²	55.5	69%	0.688	29%	0.287	S	S	*	.	H	α-helix	trans	-61.7	-27.8	-174.8	-22.7	35	0	0	0	113.3	N292 A298	N292-P294 WeakPolarHBondContact O-CD 3.44Å; P294-A298 VanDerWaalsContact O-CB 3.28Å; P294-A298 WeakPolarHBondContact O-CB 3.48Å; P294-A298 PolarHBondContact O-N 3.32Å
295	K	82.6	Confident	90.4	Very high	93 Å²	93	54.5 Å²	54.5	40%	0.404	28%	0.284	S	S	.	.	H	α-helix	trans	-71.8	-53.5	178.6	178.4	178.3	175.1	165.8	0	110.2	D293 I297 A298 E299 D427	D293-K295 PolarHBondContact O-N 2.91Å; D293-K295 VanDerWaalsContact O-N 3.16Å; D293-K295 WeakPolarHBondContact OD1-CB 3.47Å; D293-K295 PolarHBondContact OD1-N 3.42Å; K295-I297 VanDerWaalsContact C-N 3.33Å; K295-I297 PolarHBondContact O-N 3.23Å; K295-A298 PolarHBondContact O-N 3.49Å; K295-A298 VanDerWaalsContact O-N 3.12Å; K295-E299 PolarHBondContact O-N 2.83Å; K295-D427 IonicContact NZ-OD1 2.73Å; K295-D427 PolarHBondContact NZ-OD1 3.43Å; K295-D427 IonicContact NZ-OD2 3.97Å; K295-D427 PolarHBondContact NZ-OD2 2.93Å
296	E	86.9	Confident	90.2	Very high	31 Å²	31	53 Å²	53	15%	0.145	27%	0.268	C	S	.	.	H	α-helix	trans	-62.6	-40.4	-177.9	-56.9	-76.5	-159.8	0	0	111.2	G272 R274 L290 D293 A298 E299 H300 L337	G272-E296 WeakPolarHBondContact CA-OE2 3.28Å; R274-E296 IonicContact NH1-OE1 2.88Å; R274-E296 PolarHBondContact NH1-OE1 3.31Å; L290-E296 HydrophobicContact CD1-CB 3.99Å; L290-E296 HydrophobicContact CD1-CG 3.89Å; D293-E296 HydrophobicContact CB-CB 3.99Å; D293-E296 HydrophobicContact CB-CG 3.75Å; D293-E296 VanDerWaalsContact CG-CG 3.43Å; D293-E296 PolarHBondContact O-N 3Å; D293-E296 PolarHBondContact OD1-N 3.23Å; D293-E296 WeakPolarHBondContact OD2-CG 3.47Å; E296-A298 PolarHBondContact O-N 3.08Å; E296-E299 PolarHBondContact O-N 2.9Å; E296-H300 VanDerWaalsContact O-CB 3.26Å; E296-H300 WeakPolarHBondContact O-CB 3.44Å; E296-H300 PolarHBondContact O-N 2.79Å; E296-L337 HydrophobicContact CB-CD1 4.3Å
297	I	90.2	Very high	90.1	Very high	30 Å²	30	52.4 Å²	52.4	15%	0.154	27%	0.267	C	S	.	.	H	α-helix	trans	-63.2	-41.4	175.4	-65.9	165.3	0	0	0	111.3	Q291 D293 K295 R301 L326	Q291-I297 WeakPolarHBondContact O-CD1 3.26Å; D293-I297 WeakPolarHBondContact O-CB 3.49Å; D293-I297 WeakPolarHBondContact O-CD1 3.18Å; D293-I297 WeakPolarHBondContact O-CG1 3.44Å; D293-I297 PolarHBondContact O-N 2.93Å; K295-I297 VanDerWaalsContact C-N 3.33Å; K295-I297 PolarHBondContact O-N 3.23Å; I297-R301 WeakPolarHBondContact O-CB 3.25Å; I297-R301 PolarHBondContact O-N 3.45Å; I297-L326 HydrophobicContact CG2-CD1 3.98Å
298	A	85.3	Confident	90	Very high	58 Å²	58	57.7 Å²	57.7	48%	0.479	29%	0.286	S	S	.	.	H	α-helix	trans	-67	-44.8	-179.5	0	0	0	0	0	111.3	P294 K295 E296 R301 M302	P294-A298 VanDerWaalsContact O-CB 3.28Å; P294-A298 WeakPolarHBondContact O-CB 3.48Å; P294-A298 PolarHBondContact O-N 3.32Å; K295-A298 PolarHBondContact O-N 3.49Å; K295-A298 VanDerWaalsContact O-N 3.12Å; E296-A298 PolarHBondContact O-N 3.08Å; A298-R301 PolarHBondContact O-N 3.01Å; A298-M302 PolarHBondContact O-N 2.99Å
299	E	84.3	Confident	89.9	Confident	50 Å²	50	56.6 Å²	56.6	23%	0.234	29%	0.286	C	S	.	.	H	α-helix	trans	-61.3	-48.6	175.5	-174.3	178	161.4	0	0	111.3	K295 E296 R301 M302 L303	K295-E299 PolarHBondContact O-N 2.83Å; E296-E299 PolarHBondContact O-N 2.9Å; E299-R301 PolarHBondContact O-N 3.39Å; E299-M302 WeakPolarHBondContact O-CB 3.34Å; E299-M302 PolarHBondContact O-N 2.79Å; E299-L303 PolarHBondContact O-N 3.15Å
300	H	89.7	Confident	89.8	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.9	-43.5	178.6	-168.4	94.3	0	0	0	112	P269 A271 E296 M302 L303 V304 L326 L337 S339	P269-H300 PolarHBondContact O-CE1 3.44Å; P269-H300 VanDerWaalsContact O-CE1 3.25Å; A271-H300 HydrophobicContact CB-CB 4.15Å; A271-H300 PolarHBondContact N-ND1 3.3Å; A271-H300 PolarHBondContact O-ND1 3.22Å; A271-H300 VanDerWaalsContact O-ND1 3.15Å; E296-H300 VanDerWaalsContact O-CB 3.26Å; E296-H300 WeakPolarHBondContact O-CB 3.44Å; E296-H300 PolarHBondContact O-N 2.79Å; H300-M302 VanDerWaalsContact C-N 3.31Å; H300-M302 PolarHBondContact O-N 3.25Å; H300-L303 PolarHBondContact O-N 3.14Å; H300-V304 WeakPolarHBondContact O-CG2 3.32Å; H300-V304 PolarHBondContact O-N 2.76Å; H300-L326 HydrophobicContact CB-CD2 3.94Å; H300-L326 VanDerWaalsContact CD2-CD2 3.44Å; H300-L326 WeakPolarHBondContact CD2-CD2 3.19Å; H300-L337 HydrophobicContact CB-CD1 4.48Å; H300-L337 PolarHBondContact CE1-O 2.9Å; H300-L337 PolarHBondContact ND1-O 3.48Å; H300-S339 PolarHBondContact CD2-OG 3.05Å; H300-S339 WeakPolarHBondContact NE2-CB 3.3Å; H300-S339 PolarHBondContact NE2-N 2.72Å; H300-S339 PolarHBondContact NE2-OG 3.26Å
301	R	91.1	Very high	89.9	Confident	121 Å²	121	52.6 Å²	52.6	46%	0.457	27%	0.268	S	S	.	.	H	α-helix	trans	-60.4	-41	177.1	-176	-178.3	-61.5	161.3	6.7	111.9	I297 A298 E299 L303 V304 D305 Y325	I297-R301 WeakPolarHBondContact O-CB 3.25Å; I297-R301 PolarHBondContact O-N 3.45Å; A298-R301 PolarHBondContact O-N 3.01Å; E299-R301 PolarHBondContact O-N 3.39Å; R301-L303 VanDerWaalsContact C-N 3.29Å; R301-L303 PolarHBondContact O-N 2.99Å; R301-V304 PolarHBondContact O-N 3.43Å; R301-D305 PolarHBondContact O-N 2.94Å; R301-Y325 PolarHBondContact NE-OH 2.97Å
302	M	86.9	Confident	90	Very high	43 Å²	43	50.2 Å²	50.2	21%	0.212	27%	0.267	C	S	.	.	H	α-helix	trans	-58.7	-41.9	176.9	-178.4	-169.9	68.3	0	0	111.7	F207 Q208 A298 E299 H300 D305 L306 A367	F207-M302 HydrophobicContact CB-SD 4.29Å; Q208-M302 HydrophobicContact CB-CE 3.93Å; Q208-M302 HydrophobicContact CB-SD 4.3Å; Q208-M302 HydrophobicContact CG-CE 4.38Å; Q208-M302 VanDerWaalsContact OE1-CE 3.29Å; A298-M302 PolarHBondContact O-N 2.99Å; E299-M302 WeakPolarHBondContact O-CB 3.34Å; E299-M302 PolarHBondContact O-N 2.79Å; H300-M302 VanDerWaalsContact C-N 3.31Å; H300-M302 PolarHBondContact O-N 3.25Å; M302-D305 PolarHBondContact O-N 3.21Å; M302-L306 PolarHBondContact O-N 2.75Å; M302-A367 HydrophobicContact CE-CB 4.16Å; M302-A367 HydrophobicContact CG-CB 3.94Å; M302-A367 HydrophobicContact SD-CB 3.46Å; M302-A367 WeakPolarHBondContact SD-CB 3.27Å
303	L	88.2	Confident	90.1	Very high	9 Å²	9	49.8 Å²	49.8	5%	0.047	26%	0.26	C	S	.	.	H	α-helix	trans	-69.1	-38.3	177.6	-64.9	168.7	0	0	0	112.5	P269 A271 E299 H300 R301 D305 L306 G307 T363	P269-L303 HydrophobicContact CB-CB 4.1Å; A271-L303 HydrophobicContact CB-CD1 3.42Å; A271-L303 VanDerWaalsContact CB-CD1 3.42Å; E299-L303 PolarHBondContact O-N 3.15Å; H300-L303 PolarHBondContact O-N 3.14Å; R301-L303 VanDerWaalsContact C-N 3.29Å; R301-L303 PolarHBondContact O-N 2.99Å; L303-D305 VanDerWaalsContact C-N 3.35Å; L303-L306 PolarHBondContact O-N 3.14Å; L303-G307 PolarHBondContact O-N 3.37Å; L303-T363 HydrophobicContact CD1-CG2 3.5Å; L303-T363 VanDerWaalsContact CD1-CG2 3.5Å; L303-T363 HydrophobicContact CD2-CG2 3.84Å; L303-T363 HydrophobicContact CG-CG2 4.28Å
304	V	92.4	Very high	90.4	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.018	25%	0.253	C	S	.	.	H	α-helix	trans	-60.2	-45.7	172.5	172.8	0	0	0	0	110.9	P269 H300 R301 L306 G307 R308 V322 Y325 S339 V341	P269-V304 HydrophobicContact CB-CG2 4.3Å; P269-V304 HydrophobicContact CG-CG2 4.37Å; H300-V304 WeakPolarHBondContact O-CG2 3.32Å; H300-V304 PolarHBondContact O-N 2.76Å; R301-V304 PolarHBondContact O-N 3.43Å; V304-L306 VanDerWaalsContact C-N 3.31Å; V304-L306 PolarHBondContact O-N 2.95Å; V304-G307 PolarHBondContact O-N 3.3Å; V304-R308 HydrophobicContact CG1-CG 4.47Å; V304-R308 VanDerWaalsContact O-CG 3.29Å; V304-R308 WeakPolarHBondContact O-CG 3.38Å; V304-R308 PolarHBondContact O-N 2.81Å; V304-V322 HydrophobicContact CG1-CG1 4.14Å; V304-V322 HydrophobicContact CG1-CG2 4.14Å; V304-Y325 HydrophobicContact CG1-CD2 4.5Å; V304-Y325 HydrophobicContact CG1-CE2 4.46Å; V304-S339 VanDerWaalsContact CG2-CB 3.46Å; V304-S339 WeakPolarHBondContact CG2-OG 3.36Å; V304-V341 HydrophobicContact CG1-CG2 4.15Å
305	D	91.1	Very high	90.8	Very high	60 Å²	60	43.7 Å²	43.7	32%	0.321	22%	0.221	S	C	.	.	H	α-helix	trans	-65.3	-35.3	178	-76.9	-30.7	0	0	0	112.3	R301 M302 L303 R308 N309	R301-D305 PolarHBondContact O-N 2.94Å; M302-D305 PolarHBondContact O-N 3.21Å; L303-D305 VanDerWaalsContact C-N 3.35Å; D305-R308 PolarHBondContact O-N 3.32Å; D305-R308 IonicContact OD1-CZ 3.84Å; D305-R308 IonicContact OD1-NH1 3.61Å; D305-R308 PolarHBondContact OD1-NH1 3.42Å; D305-N309 WeakPolarHBondContact O-CB 3.34Å; D305-N309 PolarHBondContact O-N 3.14Å; D305-N309 PolarHBondContact O-ND2 2.68Å
306	L	89.9	Confident	91.5	Very high	24 Å²	24	41.8 Å²	41.8	13%	0.126	22%	0.218	C	C	.	.	H	α-helix	trans	-64.5	-46.5	172.6	-170.9	64.7	0	0	0	111.7	M302 L303 V304 R308 N309 D310 K369	M302-L306 PolarHBondContact O-N 2.75Å; L303-L306 PolarHBondContact O-N 3.14Å; V304-L306 VanDerWaalsContact C-N 3.31Å; V304-L306 PolarHBondContact O-N 2.95Å; L306-R308 VanDerWaalsContact C-N 3.32Å; L306-R308 PolarHBondContact O-N 3.45Å; L306-N309 WeakPolarHBondContact O-CB 3.28Å; L306-N309 PolarHBondContact O-N 3.24Å; L306-N309 VanDerWaalsContact O-N 3.13Å; L306-D310 VanDerWaalsContact O-CG 3.32Å; L306-D310 PolarHBondContact O-N 3.17Å; L306-K369 HydrophobicContact CD1-CB 4.18Å
307	G	92	Very high	91.8	Very high	7 Å²	7	49.4 Å²	49.4	7%	0.072	25%	0.253	C	S	.	.	H	α-helix	trans	-59.8	-40.3	175.5	0	0	0	0	0	112.6	L303 V304 D310 L311	L303-G307 PolarHBondContact O-N 3.37Å; V304-G307 PolarHBondContact O-N 3.3Å; G307-D310 PolarHBondContact O-N 3.47Å; G307-L311 WeakPolarHBondContact O-CG 3.43Å; G307-L311 PolarHBondContact O-N 2.9Å
308	R	93.9	Very high	92	Very high	114 Å²	114	51.4 Å²	51.4	43%	0.43	28%	0.28	S	S	.	.	H	α-helix	trans	-62	-42.3	173.5	-71.3	171.8	66.7	-141.9	-1.9	112.3	V304 D305 L306 G312 V320 V322 V341	V304-R308 HydrophobicContact CG1-CG 4.47Å; V304-R308 VanDerWaalsContact O-CG 3.29Å; V304-R308 WeakPolarHBondContact O-CG 3.38Å; V304-R308 PolarHBondContact O-N 2.81Å; D305-R308 PolarHBondContact O-N 3.32Å; D305-R308 IonicContact OD1-CZ 3.84Å; D305-R308 IonicContact OD1-NH1 3.61Å; D305-R308 PolarHBondContact OD1-NH1 3.42Å; L306-R308 VanDerWaalsContact C-N 3.32Å; L306-R308 PolarHBondContact O-N 3.45Å; R308-G312 PolarHBondContact O-N 3.41Å; R308-V320 HydrophobicContact CB-CG1 4.25Å; R308-V320 HydrophobicContact CG-CG1 4.17Å; R308-V322 HydrophobicContact CG-CG2 4.01Å; R308-V341 HydrophobicContact CB-CG1 4.46Å; R308-V341 HydrophobicContact CG-CG1 3.72Å; R308-V341 HydrophobicContact CG-CG2 4.39Å
309	N	92.2	Very high	92.5	Very high	105 Å²	105	49.9 Å²	49.9	56%	0.561	27%	0.266	S	S	*	.	H	α-helix	trans	-66.8	-41.5	178.3	-73	-27.2	0	0	0	111.8	D305 L306 G312 K313	D305-N309 WeakPolarHBondContact O-CB 3.34Å; D305-N309 PolarHBondContact O-N 3.14Å; D305-N309 PolarHBondContact O-ND2 2.68Å; L306-N309 WeakPolarHBondContact O-CB 3.28Å; L306-N309 PolarHBondContact O-N 3.24Å; L306-N309 VanDerWaalsContact O-N 3.13Å; N309-G312 PolarHBondContact O-N 2.78Å; N309-K313 PolarHBondContact O-N 2.61Å
310	D	93.5	Very high	93.2	Very high	10 Å²	10	49.6 Å²	49.6	5%	0.053	27%	0.268	C	S	.	.	H	α-helix	trans	-64.3	-52.8	178.7	-70.3	-23.4	0	0	0	111	L306 G307 G312 K313 A357 T358 K369	L306-D310 VanDerWaalsContact O-CG 3.32Å; L306-D310 PolarHBondContact O-N 3.17Å; G307-D310 PolarHBondContact O-N 3.47Å; D310-G312 VanDerWaalsContact C-N 3.26Å; D310-G312 PolarHBondContact O-N 2.85Å; D310-K313 WeakPolarHBondContact O-CB 3.3Å; D310-K313 PolarHBondContact O-N 3.03Å; D310-K313 IonicContact OD1-NZ 3.69Å; D310-A357 WeakPolarHBondContact CB-O 3.37Å; D310-A357 VanDerWaalsContact CG-O 3.29Å; D310-T358 HydrophobicContact CB-CG2 4.19Å; D310-K369 VanDerWaalsContact CG-NZ 3.33Å; D310-K369 IonicContact OD1-NZ 3.08Å; D310-K369 PolarHBondContact OD1-NZ 3.11Å; D310-K369 WeakPolarHBondContact OD2-CE 3.32Å; D310-K369 IonicContact OD2-NZ 2.74Å; D310-K369 PolarHBondContact OD2-NZ 3.3Å
311	L	95.4	Very high	93.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64	-33.2	177	-62.7	-166.7	0	0	0	112	V265 T267 G307 K313 I314 A315 V341 A343 T358	V265-L311 HydrophobicContact CB-CD2 4.43Å; V265-L311 HydrophobicContact CG1-CD1 4.27Å; V265-L311 HydrophobicContact CG1-CD2 4.01Å; V265-L311 HydrophobicContact CG2-CD2 3.54Å; T267-L311 HydrophobicContact CG2-CD1 4.09Å; T267-L311 HydrophobicContact CG2-CG 4.34Å; G307-L311 WeakPolarHBondContact O-CG 3.43Å; G307-L311 PolarHBondContact O-N 2.9Å; L311-K313 PolarHBondContact O-N 2.87Å; L311-K313 VanDerWaalsContact O-N 3.15Å; L311-I314 HydrophobicContact CD2-CD1 4.46Å; L311-I314 VanDerWaalsContact O-CG1 3.3Å; L311-I314 WeakPolarHBondContact O-CG1 3.47Å; L311-I314 PolarHBondContact O-N 2.8Å; L311-I314 VanDerWaalsContact O-N 3.13Å; L311-A315 WeakPolarHBondContact O-CB 3.27Å; L311-A315 PolarHBondContact O-N 2.86Å; L311-V341 HydrophobicContact CD1-CB 4.39Å; L311-V341 HydrophobicContact CD1-CG1 4.02Å; L311-A343 HydrophobicContact CB-CB 4.06Å; L311-A343 HydrophobicContact CD1-CB 4.14Å; L311-T358 HydrophobicContact CD2-CG2 3.97Å
312	G	95.1	Very high	93.8	Very high	37 Å²	37	49.2 Å²	49.2	38%	0.381	28%	0.279	S	S	.	.	H	α-helix	trans	-58	-27	177.7	0	0	0	0	0	114.6	R308 N309 D310 I314	R308-G312 PolarHBondContact O-N 3.41Å; N309-G312 PolarHBondContact O-N 2.78Å; D310-G312 VanDerWaalsContact C-N 3.26Å; D310-G312 PolarHBondContact O-N 2.85Å; G312-I314 VanDerWaalsContact C-N 3.32Å; G312-I314 PolarHBondContact O-N 2.96Å
313	K	93.7	Very high	94.1	Very high	109 Å²	109	51.3 Å²	51.3	47%	0.474	30%	0.296	S	S	.	.	H	α-helix	trans	-65.4	-36.3	177.7	-64.9	169.3	-174.8	171.2	0	112.2	N309 D310 L311 K346	N309-K313 PolarHBondContact O-N 2.61Å; D310-K313 WeakPolarHBondContact O-CB 3.3Å; D310-K313 PolarHBondContact O-N 3.03Å; D310-K313 IonicContact OD1-NZ 3.69Å; L311-K313 PolarHBondContact O-N 2.87Å; L311-K313 VanDerWaalsContact O-N 3.15Å; K313-K346 PolarHBondContact O-NZ 2.83Å
314	I	96.3	Very high	94.3	Very high	10 Å²	10	53.2 Å²	53.2	5%	0.051	31%	0.308	C	S	.	.	H	α-helix	trans	-112.8	-7.2	-170.4	62.7	178.1	0	0	0	113.6	L311 G312 L345 K346 D353 A354 A357	L311-I314 HydrophobicContact CD2-CD1 4.46Å; L311-I314 VanDerWaalsContact O-CG1 3.3Å; L311-I314 WeakPolarHBondContact O-CG1 3.47Å; L311-I314 PolarHBondContact O-N 2.8Å; L311-I314 VanDerWaalsContact O-N 3.13Å; G312-I314 VanDerWaalsContact C-N 3.32Å; G312-I314 PolarHBondContact O-N 2.96Å; I314-L345 HydrophobicContact CB-CD2 4.35Å; I314-L345 HydrophobicContact CD1-CD2 3.67Å; I314-L345 HydrophobicContact CG1-CD2 4.01Å; I314-K346 WeakPolarHBondContact O-CB 3.28Å; I314-K346 VanDerWaalsContact O-CG 3.27Å; I314-K346 WeakPolarHBondContact O-CG 3.32Å; I314-K346 PolarHBondContact O-N 3.01Å; I314-D353 HydrophobicContact CG2-CB 4.46Å; I314-A354 HydrophobicContact CD1-CB 3.8Å; I314-A357 HydrophobicContact CD1-CB 4.04Å; I314-A357 HydrophobicContact CG2-CB 3.94Å
315	A	96.8	Very high	94.4	Very high	3 Å²	3	58 Å²	58	3%	0.025	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-88.3	148.6	-174.9	0	0	0	0	0	113.9	L311 H317 V320 A343 K344 K346	L311-A315 WeakPolarHBondContact O-CB 3.27Å; L311-A315 PolarHBondContact O-N 2.86Å; A315-H317 PolarHBondContact O-N 3.37Å; A315-V320 HydrophobicContact CB-CG2 3.69Å; A315-A343 HydrophobicContact CB-CB 3.49Å; A315-A343 VanDerWaalsContact CB-CB 3.49Å; A315-K344 CarbonylContact C-O 3.58Å; A315-K344 VanDerWaalsContact CA-O 3.22Å; A315-K344 WeakPolarHBondContact CA-O 3.24Å; A315-K346 WeakPolarHBondContact O-CE 3.43Å; A315-K346 WeakPolarHBondContact O-CG 3.49Å
316	V	97.1	Very high	94.4	Very high	54 Å²	54	56.7 Å²	56.7	33%	0.327	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-54.4	130.9	166.1	177.2	0	0	0	0	108.2	G318 S319 K344 L345	V316-G318 PolarHBondContact O-N 2.98Å; V316-S319 VanDerWaalsContact O-CB 3.29Å; V316-S319 WeakPolarHBondContact O-CB 3.35Å; V316-S319 PolarHBondContact O-N 3.37Å; V316-S319 PolarHBondContact O-OG 3.28Å; V316-K344 HydrophobicContact CG2-CB 4.48Å; V316-K344 HydrophobicContact CG2-CD 4.45Å; V316-K344 HydrophobicContact CG2-CG 4.25Å; V316-K344 PolarHBondContact N-O 3.15Å; V316-L345 WeakPolarHBondContact CG2-O 3.41Å
317	H	93.4	Very high	94.6	Very high	191 Å²	191	58.7 Å²	58.7	88%	0.884	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	125.3	-176.7	-177.6	-77	0	0	0	111	A315	A315-H317 PolarHBondContact O-N 3.37Å
318	G	93.9	Very high	94.6	Very high	71 Å²	71	59.2 Å²	59.2	73%	0.732	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	0.4	-178.4	0	0	0	0	0	115.8	V316	V316-G318 PolarHBondContact O-N 2.98Å
319	S	96.7	Very high	94.3	Very high	27 Å²	27	57.4 Å²	57.4	19%	0.189	33%	0.33	C	S	.	.			trans	-88.1	-11.3	177.7	70	0	0	0	0	114.6	V316 T321 K344	V316-S319 VanDerWaalsContact O-CB 3.29Å; V316-S319 WeakPolarHBondContact O-CB 3.35Å; V316-S319 PolarHBondContact O-N 3.37Å; V316-S319 PolarHBondContact O-OG 3.28Å; S319-T321 PolarHBondContact O-N 2.99Å; S319-K344 PolarHBondContact OG-N 3.18Å; S319-K344 VanDerWaalsContact OG-N 3.11Å; S319-K344 PolarHBondContact OG-O 3.4Å
320	V	97	Very high	94.1	Very high	43 Å²	43	57.9 Å²	57.9	26%	0.261	32%	0.324	S	S	.	.			trans	-71.1	116.7	178.3	-175.1	0	0	0	0	109.2	R308 A315 V341 T342 A343	R308-V320 HydrophobicContact CB-CG1 4.25Å; R308-V320 HydrophobicContact CG-CG1 4.17Å; A315-V320 HydrophobicContact CB-CG2 3.69Å; V320-V341 HydrophobicContact CG1-CG1 4.01Å; V320-T342 CarbonylContact C-O 3.59Å; V320-T342 VanDerWaalsContact CA-O 3.31Å; V320-T342 WeakPolarHBondContact CA-O 3.22Å; V320-A343 HydrophobicContact CB-CB 4.38Å; V320-A343 HydrophobicContact CG2-CB 3.83Å
321	T	96.9	Very high	93.2	Very high	70 Å²	70	61.2 Å²	61.2	43%	0.429	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	159.3	179.5	68.9	0	0	0	0	111.3	S319 P323 V341 T342	S319-T321 PolarHBondContact O-N 2.99Å; T321-P323 VanDerWaalsContact C-CD 3.49Å; T321-P323 WeakPolarHBondContact O-CD 3.47Å; T321-V341 WeakPolarHBondContact O-CA 3.3Å; T321-T342 PolarHBondContact N-O 2.9Å; T321-T342 PolarHBondContact O-N 3.38Å; T321-T342 PolarHBondContact OG1-OG1 3.01Å
322	V	96.5	Very high	91.8	Very high	44 Å²	44	67.9 Å²	67.9	27%	0.267	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	75.5	176.1	-171.9	0	0	0	0	108.1	V304 R308 T324 Y325 V340 V341	V304-V322 HydrophobicContact CG1-CG1 4.14Å; V304-V322 HydrophobicContact CG1-CG2 4.14Å; R308-V322 HydrophobicContact CG-CG2 4.01Å; V322-T324 VanDerWaalsContact CG1-O 3.32Å; V322-T324 WeakPolarHBondContact CG1-O 3.44Å; V322-T324 PolarHBondContact O-N 3.38Å; V322-Y325 HydrophobicContact CG1-CD2 4.1Å; V322-Y325 HydrophobicContact CG1-CG 4.42Å; V322-V340 CarbonylContact C-O 3.03Å; V322-V340 VanDerWaalsContact CA-O 3.27Å; V322-V340 WeakPolarHBondContact CA-O 3.4Å; V322-V340 WeakPolarHBondContact CG1-O 3.34Å; V322-V341 HydrophobicContact CG2-CG1 4.39Å; V322-V341 HydrophobicContact CG2-CG2 4.3Å
323	P	94.4	Very high	90.5	Very high	86 Å²	86	73 Å²	73	56%	0.558	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.8	-30.7	-172.9	23.3	-35.8	0	0	0	113.6	T321 V340 T342	T321-P323 VanDerWaalsContact C-CD 3.49Å; T321-P323 WeakPolarHBondContact O-CD 3.47Å; P323-V340 VanDerWaalsContact CD-O 3.22Å; P323-V340 WeakPolarHBondContact CD-O 3.41Å; P323-V340 HydrophobicContact CG-CB 4.25Å; P323-V340 HydrophobicContact CG-CG1 4.12Å; P323-T342 HydrophobicContact CG-CG2 3.93Å
324	T	92.3	Very high	89.9	Confident	50 Å²	50	70 Å²	70	31%	0.307	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.7	172.7	-55.4	0	0	0	0	107.6	V322 T327 S339 V340	V322-T324 VanDerWaalsContact CG1-O 3.32Å; V322-T324 WeakPolarHBondContact CG1-O 3.44Å; V322-T324 PolarHBondContact O-N 3.38Å; T324-T327 HydrophobicContact CG2-CG2 4.34Å; T324-T327 WeakPolarHBondContact CG2-OG1 3.47Å; T324-S339 CarbonylContact O-C 3.5Å; T324-S339 WeakPolarHBondContact O-CA 3.34Å; T324-S339 WeakPolarHBondContact O-CB 3.38Å; T324-V340 HydrophobicContact CG2-CG2 4.49Å; T324-V340 PolarHBondContact O-N 3.3Å
325	Y	93.9	Very high	89.5	Confident	102 Å²	102	69.6 Å²	69.6	40%	0.4	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	128.5	-177.8	179.6	-121.5	0	0	0	110.3	R301 V304 V322 T327 S339	R301-Y325 PolarHBondContact NE-OH 2.97Å; V304-Y325 HydrophobicContact CG1-CD2 4.5Å; V304-Y325 HydrophobicContact CG1-CE2 4.46Å; V322-Y325 HydrophobicContact CG1-CD2 4.1Å; V322-Y325 HydrophobicContact CG1-CG 4.42Å; Y325-T327 PolarHBondContact O-N 2.85Å; Y325-T327 VanDerWaalsContact O-N 3.14Å; Y325-T327 PolarHBondContact O-OG1 3.12Å; Y325-S339 WeakPolarHBondContact CA-OG 3.45Å
326	L	91.4	Very high	89.1	Confident	34 Å²	34	71 Å²	71	18%	0.178	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	46.6	44	176.7	-71.3	170.9	0	0	0	113.4	I297 H300 L337 V338 S339	I297-L326 HydrophobicContact CG2-CD1 3.98Å; H300-L326 HydrophobicContact CB-CD2 3.94Å; H300-L326 VanDerWaalsContact CD2-CD2 3.44Å; H300-L326 WeakPolarHBondContact CD2-CD2 3.19Å; L326-L337 HydrophobicContact CD2-CB 4.45Å; L326-L337 HydrophobicContact CD2-CD1 4.08Å; L326-V338 PolarHBondContact N-O 2.75Å; L326-S339 PolarHBondContact N-OG 3.22Å
327	T	93.5	Very high	88.8	Confident	65 Å²	65	68.5 Å²	68.5	40%	0.399	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	138.2	-177.8	-60.1	0	0	0	0	110	T324 Y325 E329 V338	T324-T327 HydrophobicContact CG2-CG2 4.34Å; T324-T327 WeakPolarHBondContact CG2-OG1 3.47Å; Y325-T327 PolarHBondContact O-N 2.85Å; Y325-T327 VanDerWaalsContact O-N 3.14Å; Y325-T327 PolarHBondContact O-OG1 3.12Å; T327-E329 PolarHBondContact O-N 2.9Å; T327-V338 PolarHBondContact N-O 2.88Å; T327-V338 PolarHBondContact O-N 2.93Å
328	I	92.5	Very high	88.8	Confident	19 Å²	19	59.6 Å²	59.6	10%	0.097	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	120.2	176.1	-70.4	-75.3	0	0	0	109.2	A287 L290 Q291 R330 M335 H336 L337	A287-I328 HydrophobicContact CB-CG1 4.39Å; A287-I328 HydrophobicContact CB-CG2 4.21Å; L290-I328 HydrophobicContact CB-CD1 4.13Å; L290-I328 HydrophobicContact CD2-CD1 3.64Å; L290-I328 HydrophobicContact CG-CD1 3.95Å; Q291-I328 HydrophobicContact CG-CD1 3.85Å; Q291-I328 HydrophobicContact CG-CG1 3.38Å; Q291-I328 VanDerWaalsContact NE2-CG1 3.28Å; I328-R330 HydrophobicContact CG2-CG 4.16Å; I328-M335 HydrophobicContact CG2-CB 4.22Å; I328-M335 HydrophobicContact CG2-SD 4.29Å; I328-H336 WeakPolarHBondContact CA-O 3.3Å; I328-L337 HydrophobicContact CD1-CD2 3.62Å; I328-L337 HydrophobicContact CD1-CG 4.4Å; I328-L337 HydrophobicContact CG1-CD2 4.19Å
329	E	88.5	Confident	88.7	Confident	76 Å²	76	56.2 Å²	56.2	36%	0.355	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129.6	169.6	-160.2	171.2	145.7	0	0	109.3	T327 Y331 M335 H336 V338	T327-E329 PolarHBondContact O-N 2.9Å; E329-Y331 HydrophobicContact CB-CE2 4.03Å; E329-Y331 HydrophobicContact CG-CE2 4.06Å; E329-Y331 PolarHBondContact OE1-OH 3.46Å; E329-M335 CarbonylContact O-C 3.56Å; E329-M335 WeakPolarHBondContact O-CA 3.47Å; E329-M335 WeakPolarHBondContact O-CB 3.37Å; E329-H336 PolarHBondContact N-O 2.97Å; E329-H336 PolarHBondContact O-N 3.37Å; E329-V338 HydrophobicContact CB-CB 4.38Å; E329-V338 HydrophobicContact CB-CG2 3.65Å
330	R	86.4	Confident	88.6	Confident	114 Å²	114	56.3 Å²	56.3	43%	0.43	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	121	-175.8	-69.7	178.1	176.2	74.7	-0.1	110.1	D283 I328 M335	D283-R330 WeakPolarHBondContact OD2-CD 3.43Å; D283-R330 IonicContact OD2-NE 3.77Å; D283-R330 PolarHBondContact OD2-NE 3.27Å; I328-R330 HydrophobicContact CG2-CG 4.16Å; R330-M335 HydrophobicContact CG-CB 4.22Å
331	Y	74.8	Confident	88.5	Confident	81 Å²	81	54.2 Å²	54.2	32%	0.318	27%	0.27	S	S	.	.			trans	-101.7	-178.9	171.6	-57.3	-87.4	0	0	0	110.2	R276 E329 F333 V334 H336	R276-Y331 WeakPolarHBondContact CD-O 3.5Å; R276-Y331 PolarHBondContact NH1-O 3.11Å; E329-Y331 HydrophobicContact CB-CE2 4.03Å; E329-Y331 HydrophobicContact CG-CE2 4.06Å; E329-Y331 PolarHBondContact OE1-OH 3.46Å; Y331-F333 PolarHBondContact O-N 2.94Å; Y331-V334 CarbonylContact C-O 3.6Å; Y331-V334 WeakPolarHBondContact CA-O 3.42Å; Y331-V334 WeakPolarHBondContact CB-O 3.37Å; Y331-V334 PolarHBondContact N-O 2.74Å; Y331-H336 AromaticContact CD2-CD2 3.53Å; Y331-H336 HydrophobicContact CE2-CB 4.26Å; Y331-H336 AromaticContact CE2-CD2 3.36Å; Y331-H336 WeakPolarHBondContact CE2-CD2 3.44Å
332	Q	66.3	Low	88.5	Confident	139 Å²	139	51.8 Å²	51.8	65%	0.65	26%	0.255	S	S	*	.	S	Bend	trans	-60.9	-41.6	-176	-174.8	175	-5.3	0	0	113.1
333	F	69	Low	88.6	Confident	146 Å²	146	49.8 Å²	49.8	64%	0.64	24%	0.242	S	C	*	.	S	Bend	trans	-115.8	-19.9	-174.3	-56.4	-66.3	0	0	0	114.4	R276 Y331	R276-F333 VanDerWaalsContact CG-C 3.47Å; R276-F333 PolarHBondContact N-O 3.14Å; Y331-F333 PolarHBondContact O-N 2.94Å
334	V	79.6	Confident	88.7	Confident	46 Å²	46	49.9 Å²	49.9	28%	0.279	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	166.5	-177.1	-65	0	0	0	0	111.4	T273 R274 Y331 H336	T273-V334 HydrophobicContact CG2-CB 3.87Å; T273-V334 HydrophobicContact CG2-CG1 3.96Å; T273-V334 HydrophobicContact CG2-CG2 4.49Å; R274-V334 CarbonylContact O-C 3.53Å; R274-V334 VanDerWaalsContact O-CA 3.22Å; R274-V334 WeakPolarHBondContact O-CA 3.46Å; R274-V334 WeakPolarHBondContact O-CB 3.39Å; Y331-V334 CarbonylContact C-O 3.6Å; Y331-V334 WeakPolarHBondContact CA-O 3.42Å; Y331-V334 WeakPolarHBondContact CB-O 3.37Å; Y331-V334 PolarHBondContact N-O 2.74Å; V334-H336 WeakPolarHBondContact CG2-NE2 3.4Å
335	M	87.7	Confident	89	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	148.4	166.3	65.8	-175.8	75.9	0	0	109.8	T273 R274 D283 L286 A287 L290 I328 E329 R330	T273-M335 WeakPolarHBondContact CA-O 3.29Å; R274-M335 HydrophobicContact CB-CG 3.99Å; R274-M335 HydrophobicContact CB-SD 4.37Å; R274-M335 PolarHBondContact N-O 3.48Å; R274-M335 VanDerWaalsContact N-O 3.08Å; R274-M335 PolarHBondContact O-N 3.28Å; D283-M335 WeakPolarHBondContact O-CE 3.46Å; D283-M335 WeakPolarHBondContact OD1-CE 3.23Å; L286-M335 HydrophobicContact CB-CE 4.1Å; L286-M335 HydrophobicContact CB-SD 4.46Å; A287-M335 WeakPolarHBondContact CA-SD 3.41Å; A287-M335 HydrophobicContact CB-CE 4.45Å; A287-M335 HydrophobicContact CB-SD 3.63Å; L290-M335 HydrophobicContact CD2-CG 4.06Å; I328-M335 HydrophobicContact CG2-CB 4.22Å; I328-M335 HydrophobicContact CG2-SD 4.29Å; E329-M335 CarbonylContact O-C 3.56Å; E329-M335 WeakPolarHBondContact O-CA 3.47Å; E329-M335 WeakPolarHBondContact O-CB 3.37Å; R330-M335 HydrophobicContact CG-CB 4.22Å
336	H	89.1	Confident	89.1	Confident	34 Å²	34	46.6 Å²	46.6	16%	0.157	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	153.1	-178.3	-62.5	-55.9	0	0	0	112.2	I270 G272 T273 I328 E329 Y331 V334 V338	I270-H336 HydrophobicContact CG2-CB 3.61Å; G272-H336 VanDerWaalsContact O-CA 3.27Å; G272-H336 WeakPolarHBondContact O-CA 3.38Å; G272-H336 PolarHBondContact O-ND1 3.46Å; T273-H336 VanDerWaalsContact CG2-CE1 3.44Å; T273-H336 WeakPolarHBondContact CG2-CE1 3.35Å; T273-H336 PolarHBondContact OG1-CE1 2.97Å; T273-H336 PolarHBondContact OG1-ND1 3.28Å; I328-H336 WeakPolarHBondContact CA-O 3.3Å; E329-H336 PolarHBondContact N-O 2.97Å; E329-H336 PolarHBondContact O-N 3.37Å; Y331-H336 AromaticContact CD2-CD2 3.53Å; Y331-H336 HydrophobicContact CE2-CB 4.26Å; Y331-H336 AromaticContact CE2-CD2 3.36Å; Y331-H336 WeakPolarHBondContact CE2-CD2 3.44Å; V334-H336 WeakPolarHBondContact CG2-NE2 3.4Å; H336-V338 HydrophobicContact CB-CG2 4.17Å
337	L	91.9	Very high	89.2	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	129.7	158	-55.2	164.1	0	0	0	107.9	A271 G272 L290 Q291 E296 H300 L326 I328	A271-L337 PolarHBondContact N-O 3.03Å; A271-L337 VanDerWaalsContact O-CB 3.26Å; A271-L337 WeakPolarHBondContact O-CB 3.34Å; G272-L337 PolarHBondContact O-N 3.49Å; L290-L337 HydrophobicContact CD1-CD1 4.23Å; L290-L337 HydrophobicContact CD1-CG 4.3Å; L290-L337 HydrophobicContact CD2-CG 4.27Å; L290-L337 HydrophobicContact CG-CD1 4.26Å; L290-L337 HydrophobicContact CG-CD2 4.22Å; L290-L337 HydrophobicContact CG-CG 3.9Å; Q291-L337 HydrophobicContact CG-CD2 4.06Å; E296-L337 HydrophobicContact CB-CD1 4.3Å; H300-L337 HydrophobicContact CB-CD1 4.48Å; H300-L337 PolarHBondContact CE1-O 2.9Å; H300-L337 PolarHBondContact ND1-O 3.48Å; L326-L337 HydrophobicContact CD2-CB 4.45Å; L326-L337 HydrophobicContact CD2-CD1 4.08Å; I328-L337 HydrophobicContact CD1-CD2 3.62Å; I328-L337 HydrophobicContact CD1-CG 4.4Å; I328-L337 HydrophobicContact CG1-CD2 4.19Å
338	V	91.5	Very high	89.2	Confident	3 Å²	3	51 Å²	51	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	139.3	-178.9	-178	0	0	0	0	109.1	N268 I270 L326 T327 E329 H336	N268-V338 VanDerWaalsContact OD1-CG1 3.25Å; N268-V338 WeakPolarHBondContact OD1-CG1 3.29Å; I270-V338 HydrophobicContact CG1-CG2 4.26Å; I270-V338 HydrophobicContact CG2-CG2 4.37Å; L326-V338 PolarHBondContact N-O 2.75Å; T327-V338 PolarHBondContact N-O 2.88Å; T327-V338 PolarHBondContact O-N 2.93Å; E329-V338 HydrophobicContact CB-CB 4.38Å; E329-V338 HydrophobicContact CB-CG2 3.65Å; H336-V338 HydrophobicContact CB-CG2 4.17Å
339	S	93.1	Very high	89.3	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	153.6	167.4	-62.4	0	0	0	0	109.5	N268 P269 H300 V304 T324 Y325 L326	N268-S339 CarbonylContact C-O 3.35Å; N268-S339 WeakPolarHBondContact CA-O 2.96Å; N268-S339 PolarHBondContact OD1-O 3.42Å; P269-S339 VanDerWaalsContact CD-O 3.24Å; P269-S339 WeakPolarHBondContact CD-O 3.08Å; P269-S339 PolarHBondContact O-N 3.45Å; P269-S339 VanDerWaalsContact O-N 3.14Å; H300-S339 PolarHBondContact CD2-OG 3.05Å; H300-S339 WeakPolarHBondContact NE2-CB 3.3Å; H300-S339 PolarHBondContact NE2-N 2.72Å; H300-S339 PolarHBondContact NE2-OG 3.26Å; V304-S339 VanDerWaalsContact CG2-CB 3.46Å; V304-S339 WeakPolarHBondContact CG2-OG 3.36Å; T324-S339 CarbonylContact O-C 3.5Å; T324-S339 WeakPolarHBondContact O-CA 3.34Å; T324-S339 WeakPolarHBondContact O-CB 3.38Å; Y325-S339 WeakPolarHBondContact CA-OG 3.45Å; L326-S339 PolarHBondContact N-OG 3.22Å
340	V	93.4	Very high	89.7	Confident	29 Å²	29	50.2 Å²	50.2	18%	0.176	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.2	175	179.5	0	0	0	0	106.9	T266 N268 V322 P323 T324 T342	T266-V340 HydrophobicContact CG2-CG1 3.59Å; N268-V340 WeakPolarHBondContact OD1-CG2 3.14Å; V322-V340 CarbonylContact C-O 3.03Å; V322-V340 VanDerWaalsContact CA-O 3.27Å; V322-V340 WeakPolarHBondContact CA-O 3.4Å; V322-V340 WeakPolarHBondContact CG1-O 3.34Å; P323-V340 VanDerWaalsContact CD-O 3.22Å; P323-V340 WeakPolarHBondContact CD-O 3.41Å; P323-V340 HydrophobicContact CG-CB 4.25Å; P323-V340 HydrophobicContact CG-CG1 4.12Å; T324-V340 HydrophobicContact CG2-CG2 4.49Å; T324-V340 PolarHBondContact O-N 3.3Å; V340-T342 HydrophobicContact CG1-CG2 3.75Å
341	V	95.8	Very high	90.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	122.8	171.7	-169.5	0	0	0	0	107.8	T266 T267 P269 V304 R308 L311 V320 T321 V322	T266-V341 WeakPolarHBondContact CA-O 3.43Å; T267-V341 HydrophobicContact CG2-CB 3.77Å; T267-V341 HydrophobicContact CG2-CG2 4.31Å; T267-V341 PolarHBondContact N-O 3.18Å; T267-V341 PolarHBondContact O-N 2.92Å; P269-V341 HydrophobicContact CG-CG2 4.28Å; V304-V341 HydrophobicContact CG1-CG2 4.15Å; R308-V341 HydrophobicContact CB-CG1 4.46Å; R308-V341 HydrophobicContact CG-CG1 3.72Å; R308-V341 HydrophobicContact CG-CG2 4.39Å; L311-V341 HydrophobicContact CD1-CB 4.39Å; L311-V341 HydrophobicContact CD1-CG1 4.02Å; V320-V341 HydrophobicContact CG1-CG1 4.01Å; T321-V341 WeakPolarHBondContact O-CA 3.3Å; V322-V341 HydrophobicContact CG2-CG1 4.39Å; V322-V341 HydrophobicContact CG2-CG2 4.3Å
342	T	97.4	Very high	91.3	Very high	19 Å²	19	40.9 Å²	40.9	12%	0.117	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	152.7	179.4	64.7	0	0	0	0	111.1	V265 T266 V320 T321 P323 V340	V265-T342 CarbonylContact O-C 3.58Å; V265-T342 VanDerWaalsContact O-CA 3.26Å; V265-T342 WeakPolarHBondContact O-CA 3.18Å; T266-T342 HydrophobicContact CG2-CG2 4.06Å; V320-T342 CarbonylContact C-O 3.59Å; V320-T342 VanDerWaalsContact CA-O 3.31Å; V320-T342 WeakPolarHBondContact CA-O 3.22Å; T321-T342 PolarHBondContact N-O 2.9Å; T321-T342 PolarHBondContact O-N 3.38Å; T321-T342 PolarHBondContact OG1-OG1 3.01Å; P323-T342 HydrophobicContact CG-CG2 3.93Å; V340-T342 HydrophobicContact CG1-CG2 3.75Å
343	A	97.7	Very high	92.8	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	162.2	170.5	0	0	0	0	0	111.6	V265 L311 A315 V320	V265-A343 HydrophobicContact CG1-CB 3.85Å; V265-A343 VanDerWaalsContact CG1-O 3.31Å; V265-A343 WeakPolarHBondContact CG1-O 3.4Å; V265-A343 PolarHBondContact N-O 3.16Å; V265-A343 PolarHBondContact O-N 2.73Å; L311-A343 HydrophobicContact CB-CB 4.06Å; L311-A343 HydrophobicContact CD1-CB 4.14Å; A315-A343 HydrophobicContact CB-CB 3.49Å; A315-A343 VanDerWaalsContact CB-CB 3.49Å; V320-A343 HydrophobicContact CB-CB 4.38Å; V320-A343 HydrophobicContact CG2-CB 3.83Å
344	K	97.7	Very high	94.2	Very high	88 Å²	88	28.5 Å²	28.5	38%	0.383	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	123.9	171	-176.3	175.3	175.9	155.3	0	109.3	E263 A315 V316 S319	E263-K344 HydrophobicContact CB-CG 4.09Å; E263-K344 CarbonylContact O-C 3.49Å; E263-K344 WeakPolarHBondContact O-CA 3.14Å; E263-K344 IonicContact OE1-NZ 2.89Å; E263-K344 WeakPolarHBondContact OE2-CE 3.27Å; E263-K344 IonicContact OE2-NZ 3.31Å; E263-K344 PolarHBondContact OE2-NZ 3.39Å; A315-K344 CarbonylContact C-O 3.58Å; A315-K344 VanDerWaalsContact CA-O 3.22Å; A315-K344 WeakPolarHBondContact CA-O 3.24Å; V316-K344 HydrophobicContact CG2-CB 4.48Å; V316-K344 HydrophobicContact CG2-CD 4.45Å; V316-K344 HydrophobicContact CG2-CG 4.25Å; V316-K344 PolarHBondContact N-O 3.15Å; S319-K344 PolarHBondContact OG-N 3.18Å; S319-K344 VanDerWaalsContact OG-N 3.11Å; S319-K344 PolarHBondContact OG-O 3.4Å
345	L	97	Very high	95	Very high	7 Å²	7	26.3 Å²	26.3	4%	0.037	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-58.7	141	176.7	-72.6	173.9	0	0	0	111.6	V260 E263 V265 I314 V316 H349 A354	V260-L345 HydrophobicContact CG1-CD1 3.77Å; E263-L345 PolarHBondContact O-N 2.76Å; V265-L345 HydrophobicContact CB-CD2 4.18Å; V265-L345 HydrophobicContact CB-CG 4.22Å; V265-L345 HydrophobicContact CG1-CD2 3.97Å; V265-L345 HydrophobicContact CG1-CG 4.17Å; I314-L345 HydrophobicContact CB-CD2 4.35Å; I314-L345 HydrophobicContact CD1-CD2 3.67Å; I314-L345 HydrophobicContact CG1-CD2 4.01Å; V316-L345 WeakPolarHBondContact CG2-O 3.41Å; L345-H349 HydrophobicContact CD2-CB 4.48Å; L345-A354 HydrophobicContact CD2-CB 4.31Å
346	K	96.5	Very high	95.5	Very high	77 Å²	77	28.6 Å²	28.6	34%	0.335	17%	0.166	S	C	.	.	P	Polyproline II helix	trans	-62.9	145	171.3	-76	169.4	-169.5	169.9	0	109.5	K313 I314 A315 G348 H349	K313-K346 PolarHBondContact O-NZ 2.83Å; I314-K346 WeakPolarHBondContact O-CB 3.28Å; I314-K346 VanDerWaalsContact O-CG 3.27Å; I314-K346 WeakPolarHBondContact O-CG 3.32Å; I314-K346 PolarHBondContact O-N 3.01Å; A315-K346 WeakPolarHBondContact O-CE 3.43Å; A315-K346 WeakPolarHBondContact O-CG 3.49Å; K346-G348 PolarHBondContact O-N 2.65Å; K346-H349 WeakPolarHBondContact O-CB 3.38Å; K346-H349 PolarHBondContact O-N 3.03Å
347	P	94.1	Very high	95.8	Very high	114 Å²	114	27.6 Å²	27.6	74%	0.74	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.8	131.5	169.8	-26.6	34.8	0	0	0	111.5	H349	P347-H349 VanDerWaalsContact C-N 3.34Å
348	G	93	Very high	96	Very high	77 Å²	77	27.7 Å²	27.7	79%	0.794	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.2	-1.8	-178.3	0	0	0	0	0	115.7	K346	K346-G348 PolarHBondContact O-N 2.65Å
349	H	95.8	Very high	96.3	Very high	63 Å²	63	28.1 Å²	28.1	29%	0.292	17%	0.167	S	C	.	.			trans	-92	146.5	166.1	-68.7	55.1	0	0	0	110	L345 K346 P347 D353	L345-H349 HydrophobicContact CD2-CB 4.48Å; K346-H349 WeakPolarHBondContact O-CB 3.38Å; K346-H349 PolarHBondContact O-N 3.03Å; P347-H349 VanDerWaalsContact C-N 3.34Å; H349-D353 VanDerWaalsContact CA-OD2 3.28Å; H349-D353 WeakPolarHBondContact CA-OD2 3.24Å; H349-D353 HydrophobicContact CB-CB 4.14Å
350	T	96.5	Very high	96.4	Very high	15 Å²	15	28.1 Å²	28.1	9%	0.092	17%	0.167	C	C	.	.			trans	-118.3	179.2	-175.5	64.4	0	0	0	0	112.1	K70 E73 L77 M352 D353 A354 D398	K70-T350 PolarHBondContact NZ-OG1 3.33Å; E73-T350 VanDerWaalsContact OE1-CG2 3.24Å; E73-T350 WeakPolarHBondContact OE1-CG2 3.36Å; E73-T350 WeakPolarHBondContact OE2-CB 3.41Å; E73-T350 PolarHBondContact OE2-OG1 3.11Å; L77-T350 HydrophobicContact CD1-CG2 4.48Å; T350-M352 PolarHBondContact O-N 2.51Å; T350-M352 PolarHBondContact OG1-N 2.92Å; T350-D353 PolarHBondContact N-OD2 2.65Å; T350-D353 WeakPolarHBondContact O-CB 3.04Å; T350-D353 PolarHBondContact O-N 3.04Å; T350-D353 VanDerWaalsContact O-N 3.12Å; T350-D353 PolarHBondContact OG1-OD2 2.89Å; T350-A354 PolarHBondContact O-N 3.38Å; T350-D398 WeakPolarHBondContact CA-OD2 3.42Å; T350-D398 WeakPolarHBondContact CB-OD1 3.45Å; T350-D398 VanDerWaalsContact CB-OD2 3.28Å; T350-D398 WeakPolarHBondContact CB-OD2 3.32Å
351	A	97.4	Very high	96.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.5	-30.1	174	0	0	0	0	0	113.5	V260 A354 L355 L394 D398 A400	V260-A351 HydrophobicContact CB-CB 3.95Å; V260-A351 HydrophobicContact CG1-CB 4.06Å; V260-A351 HydrophobicContact CG2-CB 4.04Å; A351-A354 WeakPolarHBondContact O-CB 3.36Å; A351-A354 PolarHBondContact O-N 3.35Å; A351-L355 PolarHBondContact O-N 3.42Å; A351-L394 HydrophobicContact CB-CD1 3.81Å; A351-D398 WeakPolarHBondContact CB-O 3.08Å; A351-D398 WeakPolarHBondContact CB-OD1 3.27Å; A351-D398 PolarHBondContact N-OD1 2.75Å; A351-D398 PolarHBondContact N-OD2 3.02Å; A351-A400 HydrophobicContact CB-CB 3.65Å
352	M	97.7	Very high	96.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-72.1	-29.4	175.6	-70.2	-58.5	93.2	0	0	113	L69 L72 E73 T350 A354 L355 K356 L394 F402	L69-M352 HydrophobicContact CB-CB 4.23Å; L69-M352 HydrophobicContact CB-SD 4.43Å; L69-M352 HydrophobicContact CD2-SD 4.09Å; L69-M352 WeakPolarHBondContact O-CG 3.29Å; L72-M352 HydrophobicContact CD2-SD 4.13Å; E73-M352 HydrophobicContact CB-CG 4.08Å; T350-M352 PolarHBondContact O-N 2.51Å; T350-M352 PolarHBondContact OG1-N 2.92Å; M352-A354 VanDerWaalsContact C-N 3.31Å; M352-L355 HydrophobicContact CE-CB 4.27Å; M352-L355 HydrophobicContact CE-CD2 3.95Å; M352-L355 PolarHBondContact O-N 3.46Å; M352-L355 HydrophobicContact SD-CD2 4.21Å; M352-K356 VanDerWaalsContact O-CB 3.26Å; M352-K356 WeakPolarHBondContact O-CB 3.42Å; M352-K356 PolarHBondContact O-N 2.97Å; M352-L394 HydrophobicContact CE-CB 4.11Å; M352-L394 HydrophobicContact CE-CD1 4.04Å; M352-L394 HydrophobicContact CE-CD2 4.03Å; M352-L394 HydrophobicContact CE-CG 4.28Å; M352-L394 HydrophobicContact CG-CD2 3.81Å; M352-L394 HydrophobicContact SD-CD2 4.07Å; M352-F402 HydrophobicContact CE-CE2 3.68Å; M352-F402 HydrophobicContact CE-CZ 4.11Å
353	D	97.3	Very high	95.8	Very high	24 Å²	24	28.3 Å²	28.3	13%	0.128	17%	0.171	C	C	.	.	H	α-helix	trans	-67.6	-35.7	169.4	-63.4	-53.8	0	0	0	111.4	K70 I314 H349 T350 K356 A357	K70-D353 WeakPolarHBondContact CE-OD1 3.37Å; K70-D353 WeakPolarHBondContact CE-OD2 3.28Å; K70-D353 VanDerWaalsContact NZ-CG 3.29Å; K70-D353 IonicContact NZ-OD1 2.74Å; K70-D353 PolarHBondContact NZ-OD1 3.46Å; K70-D353 IonicContact NZ-OD2 3.41Å; K70-D353 PolarHBondContact NZ-OD2 3.16Å; I314-D353 HydrophobicContact CG2-CB 4.46Å; H349-D353 VanDerWaalsContact CA-OD2 3.28Å; H349-D353 WeakPolarHBondContact CA-OD2 3.24Å; H349-D353 HydrophobicContact CB-CB 4.14Å; T350-D353 PolarHBondContact N-OD2 2.65Å; T350-D353 WeakPolarHBondContact O-CB 3.04Å; T350-D353 PolarHBondContact O-N 3.04Å; T350-D353 VanDerWaalsContact O-N 3.12Å; T350-D353 PolarHBondContact OG1-OD2 2.89Å; D353-K356 PolarHBondContact O-N 3.35Å; D353-A357 WeakPolarHBondContact O-CB 3.39Å; D353-A357 PolarHBondContact O-N 3.35Å
354	A	97.6	Very high	95.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.7	-44.6	173.7	0	0	0	0	0	113.1	V258 V260 V265 I314 L345 T350 A351 M352 A357 T358	V258-A354 HydrophobicContact CG2-CB 4.1Å; V260-A354 HydrophobicContact CG2-CB 3.67Å; V265-A354 HydrophobicContact CG2-CB 3.81Å; I314-A354 HydrophobicContact CD1-CB 3.8Å; L345-A354 HydrophobicContact CD2-CB 4.31Å; T350-A354 PolarHBondContact O-N 3.38Å; A351-A354 WeakPolarHBondContact O-CB 3.36Å; A351-A354 PolarHBondContact O-N 3.35Å; M352-A354 VanDerWaalsContact C-N 3.31Å; A354-A357 PolarHBondContact O-N 3.19Å; A354-T358 WeakPolarHBondContact O-CG2 3.46Å; A354-T358 PolarHBondContact O-N 3.14Å; A354-T358 PolarHBondContact O-OG1 3.2Å
355	L	97.7	Very high	95.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.4	-45.3	174.4	-177.1	58.2	0	0	0	111.3	L69 V96 L257 V258 A351 M352 A357 T358 L359 A390 F402	L69-L355 HydrophobicContact CD2-CD2 4.16Å; V96-L355 HydrophobicContact CB-CD2 4.49Å; V96-L355 HydrophobicContact CG2-CD2 3.77Å; L257-L355 HydrophobicContact CD2-CD1 3.5Å; L257-L355 HydrophobicContact CG-CD1 4.47Å; V258-L355 HydrophobicContact CG1-CB 4.36Å; V258-L355 HydrophobicContact CG1-CD1 3.98Å; A351-L355 PolarHBondContact O-N 3.42Å; M352-L355 HydrophobicContact CE-CB 4.27Å; M352-L355 HydrophobicContact CE-CD2 3.95Å; M352-L355 PolarHBondContact O-N 3.46Å; M352-L355 HydrophobicContact SD-CD2 4.21Å; L355-A357 VanDerWaalsContact C-N 3.31Å; L355-A357 PolarHBondContact O-N 3.39Å; L355-T358 PolarHBondContact O-N 2.84Å; L355-T358 PolarHBondContact O-OG1 2.81Å; L355-L359 WeakPolarHBondContact O-CB 3.49Å; L355-L359 PolarHBondContact O-N 3.43Å; L355-A390 HydrophobicContact CD1-CB 3.86Å; L355-F402 HydrophobicContact CD1-CB 4.38Å; L355-F402 HydrophobicContact CD1-CD2 4.19Å; L355-F402 HydrophobicContact CD1-CG 4.2Å; L355-F402 HydrophobicContact CD2-CD2 4.02Å; L355-F402 HydrophobicContact CD2-CE1 4.35Å; L355-F402 HydrophobicContact CD2-CE2 3.8Å; L355-F402 HydrophobicContact CD2-CG 4.37Å; L355-F402 HydrophobicContact CD2-CZ 3.98Å
356	K	97	Very high	95.3	Very high	48 Å²	48	24 Å²	24	21%	0.209	15%	0.153	C	C	.	.	H	α-helix	trans	-57.9	-41.3	176.9	-174.2	180	-62.2	175.1	0	112.8	D67 L69 Y104 M352 D353 T358	D67-K356 WeakPolarHBondContact OD1-CE 3.19Å; D67-K356 IonicContact OD1-NZ 2.74Å; D67-K356 PolarHBondContact OD1-NZ 2.65Å; D67-K356 IonicContact OD2-NZ 3.33Å; D67-K356 PolarHBondContact OD2-NZ 2.79Å; L69-K356 HydrophobicContact CD1-CB 3.83Å; L69-K356 HydrophobicContact CD1-CG 4.4Å; Y104-K356 HydrophobicContact CD1-CD 3.84Å; Y104-K356 HydrophobicContact CD1-CG 4.24Å; Y104-K356 HydrophobicContact CD2-CD 4.31Å; Y104-K356 HydrophobicContact CD2-CG 3.8Å; Y104-K356 HydrophobicContact CE1-CD 3.86Å; Y104-K356 HydrophobicContact CE1-CG 4.35Å; Y104-K356 HydrophobicContact CE2-CD 4.32Å; Y104-K356 HydrophobicContact CE2-CG 3.91Å; Y104-K356 HydrophobicContact CG-CD 4.08Å; Y104-K356 HydrophobicContact CG-CG 3.98Å; Y104-K356 VanDerWaalsContact CZ-CE 3.48Å; M352-K356 VanDerWaalsContact O-CB 3.26Å; M352-K356 WeakPolarHBondContact O-CB 3.42Å; M352-K356 PolarHBondContact O-N 2.97Å; D353-K356 PolarHBondContact O-N 3.35Å; K356-T358 VanDerWaalsContact C-N 3.33Å
357	A	96.1	Very high	95	Very high	13 Å²	13	20.8 Å²	20.8	11%	0.107	14%	0.14	C	C	.	.	H	α-helix	trans	-71	-28.8	-179.1	0	0	0	0	0	113.4	D310 I314 D353 A354 L355	D310-A357 WeakPolarHBondContact CB-O 3.37Å; D310-A357 VanDerWaalsContact CG-O 3.29Å; I314-A357 HydrophobicContact CD1-CB 4.04Å; I314-A357 HydrophobicContact CG2-CB 3.94Å; D353-A357 WeakPolarHBondContact O-CB 3.39Å; D353-A357 PolarHBondContact O-N 3.35Å; A354-A357 PolarHBondContact O-N 3.19Å; L355-A357 VanDerWaalsContact C-N 3.31Å; L355-A357 PolarHBondContact O-N 3.39Å
358	T	96.1	Very high	94.9	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.018	12%	0.124	C	C	.	.	H	α-helix	trans	-98.5	-26.3	-174.1	53.1	0	0	0	0	113.4	V258 D310 L311 A354 L355 K356 P360 K369	V258-T358 HydrophobicContact CB-CG2 4.37Å; V258-T358 HydrophobicContact CG2-CG2 4.36Å; D310-T358 HydrophobicContact CB-CG2 4.19Å; L311-T358 HydrophobicContact CD2-CG2 3.97Å; A354-T358 WeakPolarHBondContact O-CG2 3.46Å; A354-T358 PolarHBondContact O-N 3.14Å; A354-T358 PolarHBondContact O-OG1 3.2Å; L355-T358 PolarHBondContact O-N 2.84Å; L355-T358 PolarHBondContact O-OG1 2.81Å; K356-T358 VanDerWaalsContact C-N 3.33Å; T358-P360 CarbonylContact O-C 3.48Å; T358-K369 PolarHBondContact O-NZ 3.47Å
359	L	96.8	Very high	94.9	Very high	12 Å²	12	15.7 Å²	15.7	6%	0.063	9%	0.091	C	C	.	.	P	Polyproline II helix	trans	-71.2	130.9	-178.6	-175.7	74.3	0	0	0	112.8	V96 V100 L257 L355 A390	V96-L359 HydrophobicContact CG1-CD2 3.6Å; V100-L359 HydrophobicContact CB-CD2 4.21Å; V100-L359 HydrophobicContact CG1-CD2 4.35Å; L257-L359 HydrophobicContact CD2-CD1 4.14Å; L355-L359 WeakPolarHBondContact O-CB 3.49Å; L355-L359 PolarHBondContact O-N 3.43Å; L359-A390 HydrophobicContact CD1-CB 4.29Å
360	P	96.2	Very high	94.9	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	S	Bend	cis	-79.4	162.2	-17.4	35.7	-37.1	0	0	0	111.9	Y98 T358 V364 K369 M373	Y98-P360 HydrophobicContact CD2-CB 3.7Å; Y98-P360 HydrophobicContact CD2-CG 3.93Å; Y98-P360 HydrophobicContact CE2-CB 3.81Å; Y98-P360 HydrophobicContact CE2-CG 3.58Å; T358-P360 CarbonylContact O-C 3.48Å; P360-V364 HydrophobicContact CB-CG2 4.23Å; P360-K369 WeakPolarHBondContact O-CD 3.07Å; P360-K369 WeakPolarHBondContact O-CE 3.47Å; P360-K369 PolarHBondContact O-NZ 3.16Å; P360-M373 HydrophobicContact CG-CE 3.89Å; P360-M373 HydrophobicContact CG-CG 4.32Å; P360-M373 HydrophobicContact CG-SD 3.71Å
361	A	93.4	Very high	94.8	Very high	12 Å²	12	19.2 Å²	19.2	10%	0.099	10%	0.104	C	C	.	.	P	Polyproline II helix	trans	-61	152.7	176	0	0	0	0	0	112.4	L257 T363 V364 S365 I404	L257-A361 HydrophobicContact CD1-CB 3.73Å; A361-T363 VanDerWaalsContact C-N 3.29Å; A361-T363 PolarHBondContact O-N 3.12Å; A361-V364 HydrophobicContact CB-CG2 4.08Å; A361-V364 WeakPolarHBondContact O-CG2 3.1Å; A361-V364 PolarHBondContact O-N 3.31Å; A361-S365 PolarHBondContact O-N 3.06Å; A361-S365 PolarHBondContact O-OG 3.48Å; A361-I404 HydrophobicContact CB-CD1 3.4Å; A361-I404 VanDerWaalsContact CB-CD1 3.4Å; A361-I404 HydrophobicContact CB-CG1 3.98Å
362	G	90.7	Very high	94.8	Very high	8 Å²	8	19.2 Å²	19.2	8%	0.082	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-58.6	-38.2	175.2	0	0	0	0	0	114	V364 S365 G366	G362-V364 PolarHBondContact O-N 2.98Å; G362-V364 VanDerWaalsContact O-N 3.15Å; G362-S365 PolarHBondContact O-N 2.8Å; G362-G366 PolarHBondContact O-N 3.21Å
363	T	89.2	Confident	94.8	Very high	32 Å²	32	19.4 Å²	19.4	20%	0.196	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-64.4	-16.3	-178.7	46.4	0	0	0	0	113.8	E255 L303 A361	E255-T363 WeakPolarHBondContact OE1-CG2 3.37Å; E255-T363 PolarHBondContact OE1-OG1 3.4Å; E255-T363 PolarHBondContact OE2-OG1 3.34Å; L303-T363 HydrophobicContact CD1-CG2 3.5Å; L303-T363 VanDerWaalsContact CD1-CG2 3.5Å; L303-T363 HydrophobicContact CD2-CG2 3.84Å; L303-T363 HydrophobicContact CG-CG2 4.28Å; A361-T363 VanDerWaalsContact C-N 3.29Å; A361-T363 PolarHBondContact O-N 3.12Å
364	V	94.5	Very high	94.8	Very high	6 Å²	6	19.3 Å²	19.3	4%	0.036	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-121.5	5.4	179.3	-60.7	0	0	0	0	113.1	P360 A361 G362 R384 A388 I404 I406	P360-V364 HydrophobicContact CB-CG2 4.23Å; A361-V364 HydrophobicContact CB-CG2 4.08Å; A361-V364 WeakPolarHBondContact O-CG2 3.1Å; A361-V364 PolarHBondContact O-N 3.31Å; G362-V364 PolarHBondContact O-N 2.98Å; G362-V364 VanDerWaalsContact O-N 3.15Å; V364-R384 PolarHBondContact O-NH1 3.15Å; V364-A388 HydrophobicContact CB-CB 3.6Å; V364-A388 HydrophobicContact CG1-CB 4.28Å; V364-A388 HydrophobicContact CG2-CB 3.57Å; V364-I404 HydrophobicContact CG1-CG2 3.95Å; V364-I404 HydrophobicContact CG2-CG2 4.21Å; V364-I406 HydrophobicContact CG1-CG2 3.65Å
365	S	95.2	Very high	94.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-124.9	-71.5	177.9	53.5	0	0	0	0	111	V210 A361 G362 I376	V210-S365 PolarHBondContact N-O 3.5Å; A361-S365 PolarHBondContact O-N 3.06Å; A361-S365 PolarHBondContact O-OG 3.48Å; G362-S365 PolarHBondContact O-N 2.8Å; S365-I376 WeakPolarHBondContact O-CD1 3.48Å
366	G	92	Very high	94.8	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138.5	-167.1	179.6	0	0	0	0	0	112.4	Q208 G362 K369	Q208-G366 CarbonylContact O-C 3.41Å; Q208-G366 VanDerWaalsContact O-CA 3.25Å; Q208-G366 WeakPolarHBondContact O-CA 3.29Å; G362-G366 PolarHBondContact O-N 3.21Å; G366-K369 WeakPolarHBondContact O-CA 3.36Å
367	A	90.8	Very high	94.8	Very high	8 Å²	8	18.8 Å²	18.8	7%	0.066	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	131.9	-178.5	0	0	0	0	0	110.4	V206 F207 Q208 M302	V206-A367 CarbonylContact C-O 3.58Å; F207-A367 HydrophobicContact CD2-CB 4.44Å; F207-A367 PolarHBondContact N-O 3.13Å; Q208-A367 PolarHBondContact N-O 3.49Å; Q208-A367 PolarHBondContact O-N 3.41Å; M302-A367 HydrophobicContact CE-CB 4.16Å; M302-A367 HydrophobicContact CG-CB 3.94Å; M302-A367 HydrophobicContact SD-CB 3.46Å; M302-A367 WeakPolarHBondContact SD-CB 3.27Å
368	P	91.6	Very high	94.9	Very high	64 Å²	64	23.4 Å²	23.4	42%	0.416	12%	0.122	S	C	.	.	S	Bend	cis	-63.4	137.1	-10.6	-19.5	33.5	0	0	0	112.2	F207 I370 R371 A372	F207-P368 HydrophobicContact CD2-CG 4.3Å; F207-P368 HydrophobicContact CE2-CG 4.14Å; P368-I370 PolarHBondContact O-N 2.97Å; P368-R371 PolarHBondContact O-N 3Å; P368-R371 VanDerWaalsContact O-N 3.14Å; P368-A372 PolarHBondContact O-N 3.3Å
369	K	93.6	Very high	94.9	Very high	20 Å²	20	24.4 Å²	24.4	9%	0.087	13%	0.125	C	C	.	.	H	α-helix	trans	-50.2	-59.7	-168.5	-174.2	-175.7	-63.1	-169.4	0	113.9	L306 D310 T358 P360 G366 R371 A372 M373	L306-K369 HydrophobicContact CD1-CB 4.18Å; D310-K369 VanDerWaalsContact CG-NZ 3.33Å; D310-K369 IonicContact OD1-NZ 3.08Å; D310-K369 PolarHBondContact OD1-NZ 3.11Å; D310-K369 WeakPolarHBondContact OD2-CE 3.32Å; D310-K369 IonicContact OD2-NZ 2.74Å; D310-K369 PolarHBondContact OD2-NZ 3.3Å; T358-K369 PolarHBondContact O-NZ 3.47Å; P360-K369 WeakPolarHBondContact O-CD 3.07Å; P360-K369 WeakPolarHBondContact O-CE 3.47Å; P360-K369 PolarHBondContact O-NZ 3.16Å; G366-K369 WeakPolarHBondContact O-CA 3.36Å; K369-R371 PolarHBondContact O-N 2.84Å; K369-A372 PolarHBondContact O-N 3.27Å; K369-M373 HydrophobicContact CD-SD 4.33Å; K369-M373 HydrophobicContact CG-CG 4.46Å; K369-M373 HydrophobicContact CG-SD 3.76Å; K369-M373 VanDerWaalsContact O-CG 3.23Å; K369-M373 WeakPolarHBondContact O-CG 3.38Å; K369-M373 PolarHBondContact O-N 2.85Å
370	I	94.7	Very high	94.9	Very high	71 Å²	71	24.4 Å²	24.4	36%	0.364	13%	0.125	S	C	.	.	H	α-helix	trans	-57.3	-40.4	-177.1	-62	166.3	0	0	0	111.2	E105 P368 M373 T374	E105-I370 HydrophobicContact CG-CD1 4.45Å; E105-I370 HydrophobicContact CG-CG1 4.33Å; E105-I370 VanDerWaalsContact OE2-CD1 3.28Å; E105-I370 WeakPolarHBondContact OE2-CD1 3.34Å; P368-I370 PolarHBondContact O-N 2.97Å; I370-M373 PolarHBondContact O-N 2.78Å; I370-T374 PolarHBondContact O-N 2.67Å; I370-T374 PolarHBondContact O-OG1 3.48Å
371	R	96	Very high	94.7	Very high	82 Å²	82	28.1 Å²	28.1	31%	0.309	15%	0.147	S	C	.	.	H	α-helix	trans	-70.8	-42.9	-178.5	-172.1	49.7	173.1	170.3	-8.4	111.9	D205 V206 P368 K369 M373 T374 R375	D205-R371 VanDerWaalsContact O-CG 3.23Å; D205-R371 WeakPolarHBondContact O-CG 3.15Å; D205-R371 IonicContact OD1-CZ 3.63Å; D205-R371 IonicContact OD1-NE 3.9Å; D205-R371 PolarHBondContact OD1-NE 2.89Å; D205-R371 IonicContact OD1-NH2 2.69Å; D205-R371 PolarHBondContact OD1-NH2 3.08Å; D205-R371 IonicContact OD2-CZ 2.64Å; D205-R371 IonicContact OD2-NE 3.6Å; D205-R371 PolarHBondContact OD2-NE 3.26Å; D205-R371 IonicContact OD2-NH2 3.47Å; D205-R371 PolarHBondContact OD2-NH2 3.45Å; V206-R371 HydrophobicContact CG1-CB 4.12Å; V206-R371 HydrophobicContact CG1-CG 3.73Å; P368-R371 PolarHBondContact O-N 3Å; P368-R371 VanDerWaalsContact O-N 3.14Å; K369-R371 PolarHBondContact O-N 2.84Å; R371-M373 VanDerWaalsContact C-N 3.34Å; R371-M373 PolarHBondContact O-N 2.95Å; R371-T374 WeakPolarHBondContact O-CB 3.27Å; R371-T374 PolarHBondContact O-N 2.81Å; R371-R375 VanDerWaalsContact NH2-CZ 3.28Å; R371-R375 PolarHBondContact O-N 3.29Å; R371-R375 VanDerWaalsContact O-N 3.13Å
372	A	96.6	Very high	94.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.6	-44.2	173.8	0	0	0	0	0	111.6	V206 V209 P368 K369 T374 R375 I376	V206-A372 HydrophobicContact CG1-CB 4.27Å; V209-A372 HydrophobicContact CB-CB 4.27Å; V209-A372 HydrophobicContact CG2-CB 4.14Å; P368-A372 PolarHBondContact O-N 3.3Å; K369-A372 PolarHBondContact O-N 3.27Å; A372-T374 VanDerWaalsContact C-N 3.34Å; A372-T374 PolarHBondContact O-N 2.71Å; A372-R375 PolarHBondContact O-N 2.98Å; A372-R375 VanDerWaalsContact O-N 3.15Å; A372-I376 WeakPolarHBondContact O-CG1 3.43Å; A372-I376 PolarHBondContact O-N 3.01Å
373	M	97.9	Very high	95.2	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.02	14%	0.141	C	C	.	.	H	α-helix	trans	-62.2	-39.9	175.8	-62.6	169.3	60.9	0	0	112.5	Y98 A101 I107 P360 K369 I370 R371 R375 I376 Y377	Y98-M373 HydrophobicContact CE1-CE 4.47Å; Y98-M373 WeakPolarHBondContact OH-CG 3.27Å; A101-M373 HydrophobicContact CB-CE 3.61Å; I107-M373 HydrophobicContact CD1-CE 3.2Å; I107-M373 HydrophobicContact CD1-SD 4.47Å; I107-M373 HydrophobicContact CG1-CB 4.34Å; I107-M373 HydrophobicContact CG1-CE 3.82Å; I107-M373 HydrophobicContact CG2-CB 3.63Å; I107-M373 HydrophobicContact CG2-CE 4.38Å; P360-M373 HydrophobicContact CG-CE 3.89Å; P360-M373 HydrophobicContact CG-CG 4.32Å; P360-M373 HydrophobicContact CG-SD 3.71Å; K369-M373 HydrophobicContact CD-SD 4.33Å; K369-M373 HydrophobicContact CG-CG 4.46Å; K369-M373 HydrophobicContact CG-SD 3.76Å; K369-M373 VanDerWaalsContact O-CG 3.23Å; K369-M373 WeakPolarHBondContact O-CG 3.38Å; K369-M373 PolarHBondContact O-N 2.85Å; I370-M373 PolarHBondContact O-N 2.78Å; R371-M373 VanDerWaalsContact C-N 3.34Å; R371-M373 PolarHBondContact O-N 2.95Å; M373-R375 PolarHBondContact O-N 3.09Å; M373-I376 WeakPolarHBondContact O-CB 3.21Å; M373-I376 PolarHBondContact O-N 2.89Å; M373-I376 VanDerWaalsContact O-N 3.17Å; M373-Y377 PolarHBondContact O-N 3.12Å
374	T	97.7	Very high	95.6	Very high	21 Å²	21	26.1 Å²	26.1	13%	0.129	13%	0.132	C	C	.	.	H	α-helix	trans	-59.3	-39.6	175.5	-55	0	0	0	0	111.2	I107 I370 R371 A372 Q378	I107-T374 WeakPolarHBondContact O-CA 3.47Å; I370-T374 PolarHBondContact O-N 2.67Å; I370-T374 PolarHBondContact O-OG1 3.48Å; R371-T374 WeakPolarHBondContact O-CB 3.27Å; R371-T374 PolarHBondContact O-N 2.81Å; A372-T374 VanDerWaalsContact C-N 3.34Å; A372-T374 PolarHBondContact O-N 2.71Å; T374-Q378 VanDerWaalsContact O-CG 3.29Å; T374-Q378 WeakPolarHBondContact O-CG 3.39Å; T374-Q378 PolarHBondContact O-N 3.05Å
375	R	97.4	Very high	95.7	Very high	22 Å²	22	25.8 Å²	25.8	8%	0.083	13%	0.13	C	C	.	.	H	α-helix	trans	-71.2	-37.7	176.5	-64.2	-49	-169.7	171.2	10.6	112.7	D205 R371 A372 M373 Y377 Q378 W379	D205-R375 IonicContact OD1-NH2 2.96Å; D205-R375 IonicContact OD2-CZ 2.63Å; D205-R375 IonicContact OD2-NE 3.05Å; D205-R375 PolarHBondContact OD2-NE 3Å; D205-R375 IonicContact OD2-NH2 3.54Å; D205-R375 PolarHBondContact OD2-NH2 3Å; R371-R375 VanDerWaalsContact NH2-CZ 3.28Å; R371-R375 PolarHBondContact O-N 3.29Å; R371-R375 VanDerWaalsContact O-N 3.13Å; A372-R375 PolarHBondContact O-N 2.98Å; A372-R375 VanDerWaalsContact O-N 3.15Å; M373-R375 PolarHBondContact O-N 3.09Å; R375-Y377 VanDerWaalsContact C-N 3.35Å; R375-Y377 PolarHBondContact O-N 3.38Å; R375-Q378 WeakPolarHBondContact O-CB 3.26Å; R375-Q378 PolarHBondContact O-N 3.14Å; R375-W379 HydrophobicContact CB-CD2 4.19Å; R375-W379 HydrophobicContact CB-CE3 3.87Å; R375-W379 HydrophobicContact CB-CH2 3.52Å; R375-W379 HydrophobicContact CB-CZ2 3.88Å; R375-W379 HydrophobicContact CB-CZ3 3.53Å; R375-W379 HydrophobicContact CG-CH2 3.88Å; R375-W379 HydrophobicContact CG-CZ2 4.11Å; R375-W379 HydrophobicContact CG-CZ3 4.38Å; R375-W379 VanDerWaalsContact O-CD2 3.27Å; R375-W379 VanDerWaalsContact O-CG 3.3Å; R375-W379 PolarHBondContact O-N 3.35Å
376	I	97.9	Very high	95.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-56.4	-48.5	173.3	-73.5	163.9	0	0	0	110.6	V209 S365 A372 M373 Q378 W379 E380	V209-I376 HydrophobicContact CG2-CD1 4.18Å; V209-I376 HydrophobicContact CG2-CG1 3.83Å; S365-I376 WeakPolarHBondContact O-CD1 3.48Å; A372-I376 WeakPolarHBondContact O-CG1 3.43Å; A372-I376 PolarHBondContact O-N 3.01Å; M373-I376 WeakPolarHBondContact O-CB 3.21Å; M373-I376 PolarHBondContact O-N 2.89Å; M373-I376 VanDerWaalsContact O-N 3.17Å; I376-Q378 PolarHBondContact O-N 3.25Å; I376-W379 PolarHBondContact O-N 3.37Å; I376-E380 HydrophobicContact CG2-CG 4.15Å; I376-E380 WeakPolarHBondContact O-CB 3.5Å; I376-E380 PolarHBondContact O-N 2.65Å
377	Y	97.5	Very high	96.1	Very high	16 Å²	16	26.8 Å²	26.8	6%	0.063	13%	0.134	C	C	.	.	H	α-helix	trans	-61.9	-27.3	175.6	-84.6	10.3	0	0	0	113.9	Y98 D99 I107 E109 I110 P111 M373 R375	Y98-Y377 HydrophobicContact CD1-CE1 4.28Å; Y98-Y377 HydrophobicContact CE1-CD1 4.44Å; Y98-Y377 AromaticContact CE1-CE1 3.75Å; Y98-Y377 HydrophobicContact CE1-CE1 3.75Å; D99-Y377 WeakPolarHBondContact OD1-CE1 3.39Å; D99-Y377 PolarHBondContact OD1-OH 3.06Å; I107-Y377 HydrophobicContact CB-CD2 4.28Å; I107-Y377 HydrophobicContact CB-CE2 4.17Å; I107-Y377 HydrophobicContact CG2-CD2 3.64Å; I107-Y377 HydrophobicContact CG2-CE2 3.79Å; I107-Y377 HydrophobicContact CG2-CG 4.02Å; E109-Y377 WeakPolarHBondContact O-CD2 2.94Å; I110-Y377 HydrophobicContact CB-CE2 4.41Å; I110-Y377 HydrophobicContact CG1-CE2 3.87Å; P111-Y377 HydrophobicContact CG-CD1 4.02Å; P111-Y377 HydrophobicContact CG-CG 4.26Å; M373-Y377 PolarHBondContact O-N 3.12Å; R375-Y377 VanDerWaalsContact C-N 3.35Å; R375-Y377 PolarHBondContact O-N 3.38Å
378	Q	96.7	Very high	96.5	Very high	109 Å²	109	26.4 Å²	26.4	51%	0.509	13%	0.13	S	C	.	.	H	α-helix	trans	-80.7	-25.8	177.8	-71.1	170.4	-4.7	0	0	113.4	T374 R375 I376	T374-Q378 VanDerWaalsContact O-CG 3.29Å; T374-Q378 WeakPolarHBondContact O-CG 3.39Å; T374-Q378 PolarHBondContact O-N 3.05Å; R375-Q378 WeakPolarHBondContact O-CB 3.26Å; R375-Q378 PolarHBondContact O-N 3.14Å; I376-Q378 PolarHBondContact O-N 3.25Å
379	W	96.4	Very high	96.8	Very high	24 Å²	24	23.4 Å²	23.4	9%	0.091	11%	0.111	C	C	.	.	H	α-helix	trans	-106.1	-34.2	-172.5	-61.5	-32.3	0	0	0	113.8	I193 Q196 A197 R200 V209 R375 I376	I193-W379 HydrophobicContact CD1-CB 4.47Å; I193-W379 HydrophobicContact CG1-CB 4.28Å; I193-W379 HydrophobicContact CG2-CB 3.93Å; I193-W379 HydrophobicContact CG2-CD2 4.35Å; I193-W379 HydrophobicContact CG2-CE3 4.15Å; I193-W379 HydrophobicContact CG2-CG 4.29Å; Q196-W379 HydrophobicContact CB-CZ2 4.29Å; Q196-W379 VanDerWaalsContact OE1-NE1 3.16Å; A197-W379 VanDerWaalsContact CA-CH2 3.49Å; A197-W379 HydrophobicContact CB-CH2 3.85Å; A197-W379 HydrophobicContact CB-CZ3 3.74Å; R200-W379 HydrophobicContact CB-CH2 4.41Å; R200-W379 HydrophobicContact CG-CH2 4.05Å; R200-W379 HydrophobicContact CG-CZ2 3.75Å; V209-W379 HydrophobicContact CB-CZ3 4.33Å; V209-W379 HydrophobicContact CG1-CH2 4.25Å; V209-W379 HydrophobicContact CG1-CZ3 3.72Å; V209-W379 HydrophobicContact CG2-CE3 4.48Å; V209-W379 HydrophobicContact CG2-CZ3 3.8Å; R375-W379 HydrophobicContact CB-CD2 4.19Å; R375-W379 HydrophobicContact CB-CE3 3.87Å; R375-W379 HydrophobicContact CB-CH2 3.52Å; R375-W379 HydrophobicContact CB-CZ2 3.88Å; R375-W379 HydrophobicContact CB-CZ3 3.53Å; R375-W379 HydrophobicContact CG-CH2 3.88Å; R375-W379 HydrophobicContact CG-CZ2 4.11Å; R375-W379 HydrophobicContact CG-CZ3 4.38Å; R375-W379 VanDerWaalsContact O-CD2 3.27Å; R375-W379 VanDerWaalsContact O-CG 3.3Å; R375-W379 PolarHBondContact O-N 3.35Å; I376-W379 PolarHBondContact O-N 3.37Å
380	E	96.7	Very high	97	Very high	12 Å²	12	22.5 Å²	22.5	6%	0.056	11%	0.107	C	C	.	.			trans	-78.3	129.8	177.6	-67	-173.3	178.6	0	0	110.4	S212 I376 V382 R384	S212-E380 WeakPolarHBondContact CB-OE1 3.15Å; S212-E380 PolarHBondContact N-OE1 3.45Å; S212-E380 VanDerWaalsContact OG-CD 3.3Å; S212-E380 PolarHBondContact OG-OE1 3.37Å; S212-E380 PolarHBondContact OG-OE2 3.19Å; I376-E380 HydrophobicContact CG2-CG 4.15Å; I376-E380 WeakPolarHBondContact O-CB 3.5Å; I376-E380 PolarHBondContact O-N 2.65Å; E380-V382 VanDerWaalsContact C-N 3.25Å; E380-V382 PolarHBondContact O-N 3.22Å; E380-R384 IonicContact OE1-CZ 3.48Å; E380-R384 IonicContact OE1-NE 2.7Å; E380-R384 PolarHBondContact OE1-NE 3.25Å; E380-R384 IonicContact OE1-NH2 2.74Å; E380-R384 PolarHBondContact OE1-NH2 2.88Å; E380-R384 VanDerWaalsContact OE2-CG 3.26Å; E380-R384 WeakPolarHBondContact OE2-CG 3.43Å; E380-R384 IonicContact OE2-CZ 3.53Å; E380-R384 IonicContact OE2-NE 3.72Å; E380-R384 PolarHBondContact OE2-NE 2.95Å; E380-R384 IonicContact OE2-NH2 3Å
381	T	92.8	Very high	97.2	Very high	78 Å²	78	19.1 Å²	19.1	48%	0.479	9%	0.09	S	C	.	.	S	Bend	trans	-78.2	-10.1	-175.9	55.7	0	0	0	0	113.6	L185	L185-T381 HydrophobicContact CD2-CG2 4.36Å
382	V	96.5	Very high	97.3	Very high	3 Å²	3	15.3 Å²	15.3	2%	0.018	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-139.9	147	-174	-58.5	0	0	0	0	111.2	K112 Q114 E380	K112-V382 WeakPolarHBondContact O-CA 3.32Å; Q114-V382 HydrophobicContact CG-CG1 3.83Å; E380-V382 VanDerWaalsContact C-N 3.25Å; E380-V382 PolarHBondContact O-N 3.22Å
383	K	96.9	Very high	97.4	Very high	5 Å²	5	15.7 Å²	15.7	2%	0.022	8%	0.078	C	C	.	.			trans	-59.9	139.5	175.5	-177.1	-177.2	175.5	-175.7	0	110.4	D99 I110 K112 D113 D119 R214	D99-K383 HydrophobicContact CB-CG 4.46Å; D99-K383 VanDerWaalsContact CG-CG 3.42Å; D99-K383 VanDerWaalsContact OD2-CE 3.27Å; D99-K383 WeakPolarHBondContact OD2-CE 3.35Å; D99-K383 WeakPolarHBondContact OD2-CG 3.41Å; I110-K383 HydrophobicContact CG2-CB 4.26Å; I110-K383 HydrophobicContact CG2-CD 3.88Å; I110-K383 HydrophobicContact CG2-CG 3.83Å; K112-K383 PolarHBondContact O-N 3.22Å; D113-K383 HydrophobicContact CB-CB 4.29Å; D113-K383 HydrophobicContact CB-CD 3.78Å; D113-K383 VanDerWaalsContact CG-CD 3.48Å; D113-K383 WeakPolarHBondContact OD2-CD 3.28Å; D113-K383 IonicContact OD2-NZ 3.69Å; D113-K383 PolarHBondContact OD2-NZ 3.39Å; D119-K383 WeakPolarHBondContact OD1-CE 3.28Å; D119-K383 IonicContact OD1-NZ 3.15Å; D119-K383 PolarHBondContact OD1-NZ 3.43Å; D119-K383 IonicContact OD2-NZ 3.29Å; R214-K383 PolarHBondContact NH2-O 3.24Å
384	R	97.9	Very high	97.4	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.008	8%	0.077	C	C	.	.			trans	-70.8	-34.3	179.8	-75.3	-172.2	168.7	-167.7	-3.5	113.2	Y98 V210 R214 V364 E380 I386 Y387	Y98-R384 HydrophobicContact CD1-CB 3.99Å; Y98-R384 HydrophobicContact CD1-CG 4.29Å; Y98-R384 VanDerWaalsContact CE2-NH1 3.29Å; Y98-R384 HydrophobicContact CG-CB 4.03Å; Y98-R384 HydrophobicContact CG-CG 4.47Å; V210-R384 PolarHBondContact O-NH2 3.17Å; R214-R384 PolarHBondContact NH2-O 3.04Å; V364-R384 PolarHBondContact O-NH1 3.15Å; E380-R384 IonicContact OE1-CZ 3.48Å; E380-R384 IonicContact OE1-NE 2.7Å; E380-R384 PolarHBondContact OE1-NE 3.25Å; E380-R384 IonicContact OE1-NH2 2.74Å; E380-R384 PolarHBondContact OE1-NH2 2.88Å; E380-R384 VanDerWaalsContact OE2-CG 3.26Å; E380-R384 WeakPolarHBondContact OE2-CG 3.43Å; E380-R384 IonicContact OE2-CZ 3.53Å; E380-R384 IonicContact OE2-NE 3.72Å; E380-R384 PolarHBondContact OE2-NE 2.95Å; E380-R384 IonicContact OE2-NH2 3Å; R384-I386 PolarHBondContact O-N 3.48Å; R384-Y387 HydrophobicContact CB-CD1 4.39Å; R384-Y387 HydrophobicContact CG-CD1 4.11Å; R384-Y387 PolarHBondContact O-N 2.81Å
385	S	97.3	Very high	97.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	-116.2	-178.5	-50.3	0	0	0	0	110.2	G97 Y98 D99	G97-S385 CarbonylContact C-O 3.6Å; G97-S385 WeakPolarHBondContact CA-O 3.47Å; Y98-S385 PolarHBondContact N-O 3.42Å; D99-S385 VanDerWaalsContact OD2-CA 3.31Å; D99-S385 WeakPolarHBondContact OD2-CA 3.25Å; D99-S385 PolarHBondContact OD2-N 3.48Å
386	I	98.1	Very high	97.2	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-35.3	-177.8	-62	165.1	0	0	0	111.7	Y95 V117 V247 V249 R384 A388 G389 A405 V410	Y95-I386 HydrophobicContact CD1-CD1 4.38Å; Y95-I386 HydrophobicContact CD2-CD1 4.39Å; Y95-I386 HydrophobicContact CD2-CG1 3.73Å; Y95-I386 HydrophobicContact CE1-CD1 4.05Å; Y95-I386 HydrophobicContact CE1-CG1 4.41Å; Y95-I386 HydrophobicContact CE2-CD1 4.07Å; Y95-I386 HydrophobicContact CE2-CG1 3.57Å; Y95-I386 HydrophobicContact CG-CG1 4.25Å; V117-I386 HydrophobicContact CG2-CD1 4.42Å; V117-I386 HydrophobicContact CG2-CG1 4.43Å; V247-I386 HydrophobicContact CG2-CD1 4.48Å; V249-I386 HydrophobicContact CG1-CG2 4.18Å; V249-I386 HydrophobicContact CG2-CD1 3.7Å; R384-I386 PolarHBondContact O-N 3.48Å; I386-A388 PolarHBondContact O-N 3.5Å; I386-G389 PolarHBondContact O-N 3.1Å; I386-A405 HydrophobicContact CG2-CB 4.15Å; I386-A405 WeakPolarHBondContact O-CB 3.11Å; I386-V410 HydrophobicContact CB-CG2 4.11Å; I386-V410 HydrophobicContact CD1-CG1 4.03Å; I386-V410 HydrophobicContact CD1-CG2 3.75Å; I386-V410 HydrophobicContact CG1-CG2 4.49Å; I386-V410 HydrophobicContact CG2-CG2 4.39Å
387	Y	98.2	Very high	97	Very high	21 Å²	21	15.1 Å²	15.1	8%	0.082	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	135.5	-177.3	170.8	-103.8	0	0	0	111.2	Y98 S212 R384 G389 I406 Q419 G421	Y98-Y387 VanDerWaalsContact CB-O 3.3Å; Y98-Y387 WeakPolarHBondContact CB-O 3.4Å; S212-Y387 VanDerWaalsContact CB-CE1 3.49Å; S212-Y387 WeakPolarHBondContact OG-CE1 3.23Å; R384-Y387 HydrophobicContact CB-CD1 4.39Å; R384-Y387 HydrophobicContact CG-CD1 4.11Å; R384-Y387 PolarHBondContact O-N 2.81Å; Y387-G389 PolarHBondContact O-N 2.86Å; Y387-I406 HydrophobicContact CE2-CG2 4.12Å; Y387-Q419 HydrophobicContact CD1-CB 4.2Å; Y387-Q419 HydrophobicContact CD1-CG 3.51Å; Y387-Q419 HydrophobicContact CD2-CB 3.66Å; Y387-Q419 HydrophobicContact CD2-CG 3.84Å; Y387-Q419 WeakPolarHBondContact CD2-O 3.39Å; Y387-Q419 HydrophobicContact CE1-CG 3.85Å; Y387-Q419 HydrophobicContact CE2-CB 4.24Å; Y387-Q419 HydrophobicContact CE2-CG 4.16Å; Y387-Q419 WeakPolarHBondContact CE2-O 3.25Å; Y387-Q419 HydrophobicContact CG-CB 3.63Å; Y387-Q419 HydrophobicContact CG-CG 3.5Å; Y387-Q419 VanDerWaalsContact CG-CG 3.5Å; Y387-G421 PolarHBondContact OH-N 3.25Å; Y387-G421 VanDerWaalsContact OH-N 3.11Å
388	A	97.7	Very high	96.9	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	64	8.2	-176.9	0	0	0	0	0	115.2	Y98 V364 I386 A405	Y98-A388 HydrophobicContact CD2-CB 3.67Å; Y98-A388 HydrophobicContact CE2-CB 4.3Å; Y98-A388 HydrophobicContact CG-CB 4.49Å; V364-A388 HydrophobicContact CB-CB 3.6Å; V364-A388 HydrophobicContact CG1-CB 4.28Å; V364-A388 HydrophobicContact CG2-CB 3.57Å; I386-A388 PolarHBondContact O-N 3.5Å; A388-A405 PolarHBondContact N-O 2.52Å
389	G	98.2	Very high	96.8	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.01	7%	0.066	C	C	.	.	S	Bend	trans	-81.9	-147.8	166.7	0	0	0	0	0	112.8	V96 I386 Y387 A405	V96-G389 CarbonylContact O-C 3.56Å; V96-G389 VanDerWaalsContact O-CA 3.25Å; V96-G389 WeakPolarHBondContact O-CA 3.4Å; I386-G389 PolarHBondContact O-N 3.1Å; Y387-G389 PolarHBondContact O-N 2.86Å; G389-A405 PolarHBondContact O-N 3.23Å
390	A	98.5	Very high	96.9	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.008	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	137.3	-177.4	0	0	0	0	0	111.5	Y95 V96 L257 L355 L359 F402 A403	Y95-A390 CarbonylContact C-O 3.55Å; Y95-A390 WeakPolarHBondContact CA-O 3.41Å; Y95-A390 WeakPolarHBondContact CB-O 3.35Å; V96-A390 HydrophobicContact CB-CB 4.32Å; V96-A390 PolarHBondContact N-O 3.24Å; V96-A390 PolarHBondContact O-N 3.35Å; L257-A390 HydrophobicContact CD2-CB 3.57Å; L355-A390 HydrophobicContact CD1-CB 3.86Å; L359-A390 HydrophobicContact CD1-CB 4.29Å; A390-F402 HydrophobicContact CB-CB 4.17Å; A390-F402 HydrophobicContact CB-CD1 3.98Å; A390-F402 HydrophobicContact CB-CG 4.3Å; A390-A403 CarbonylContact C-O 3.48Å; A390-A403 VanDerWaalsContact CA-O 3.31Å; A390-A403 WeakPolarHBondContact CA-O 3.2Å
391	V	98.7	Very high	96.9	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.7	173.5	179.9	0	0	0	0	109.3	Y240 L242 V249 A403 A405	Y240-V391 HydrophobicContact CD1-CB 4.29Å; Y240-V391 HydrophobicContact CD1-CG1 3.85Å; Y240-V391 HydrophobicContact CD2-CB 4.36Å; Y240-V391 HydrophobicContact CD2-CG1 3.63Å; Y240-V391 HydrophobicContact CE1-CB 4.1Å; Y240-V391 HydrophobicContact CE1-CG1 4.14Å; Y240-V391 HydrophobicContact CE2-CB 4.14Å; Y240-V391 HydrophobicContact CE2-CG1 3.91Å; Y240-V391 HydrophobicContact CE2-CG2 4Å; Y240-V391 HydrophobicContact CG-CB 4.42Å; Y240-V391 HydrophobicContact CG-CG1 3.58Å; L242-V391 HydrophobicContact CD1-CG1 3.86Å; V249-V391 HydrophobicContact CG1-CG2 4.47Å; V391-A403 PolarHBondContact N-O 2.8Å; V391-A403 PolarHBondContact O-N 3.44Å; V391-A405 HydrophobicContact CG2-CB 3.99Å
392	G	98	Very high	97.1	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.01	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.1	-152.7	-173.5	0	0	0	0	0	114	G94 D401	G94-G392 PolarHBondContact N-O 3.42Å; G94-G392 PolarHBondContact O-N 3.32Å; G392-D401 VanDerWaalsContact CA-O 3.23Å; G392-D401 WeakPolarHBondContact CA-O 3.37Å
393	F	97.7	Very high	97.2	Very high	8 Å²	8	7.7 Å²	7.7	4%	0.035	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	156	-179.6	67.3	-95.2	0	0	0	113.6	F29 I40 F88 A92 L93 A400 D401 F402	F29-F393 HydrophobicContact CD1-CD1 4.2Å; F29-F393 HydrophobicContact CD1-CE1 4.27Å; F29-F393 HydrophobicContact CE1-CD1 4.05Å; F29-F393 AromaticContact CE1-CE1 3.86Å; F29-F393 HydrophobicContact CE1-CE1 3.86Å; F29-F393 HydrophobicContact CZ-CD1 4.42Å; F29-F393 HydrophobicContact CZ-CE1 4.43Å; I40-F393 HydrophobicContact CD1-CD1 4.08Å; I40-F393 HydrophobicContact CD1-CE1 3.85Å; I40-F393 HydrophobicContact CD1-CZ 4.45Å; F88-F393 AromaticContact CD2-CD2 3.69Å; F88-F393 HydrophobicContact CD2-CD2 3.69Å; F88-F393 AromaticContact CD2-CE2 3.99Å; F88-F393 HydrophobicContact CD2-CE2 3.99Å; F88-F393 HydrophobicContact CD2-CG 4.13Å; F88-F393 HydrophobicContact CE2-CB 4.15Å; F88-F393 AromaticContact CE2-CD2 3.87Å; F88-F393 HydrophobicContact CE2-CD2 3.87Å; F88-F393 HydrophobicContact CE2-CG 4.15Å; A92-F393 CarbonylContact O-C 3.52Å; A92-F393 WeakPolarHBondContact O-CA 3.44Å; A92-F393 VanDerWaalsContact O-CB 3.29Å; A92-F393 WeakPolarHBondContact O-CB 3.46Å; L93-F393 HydrophobicContact CB-CB 4.14Å; L93-F393 HydrophobicContact CD1-CB 3.91Å; L93-F393 HydrophobicContact CD1-CD1 4.47Å; L93-F393 HydrophobicContact CG-CB 4.28Å; F393-A400 VanDerWaalsContact O-CA 3.26Å; F393-A400 WeakPolarHBondContact O-CA 3.16Å; F393-A400 WeakPolarHBondContact O-CB 3.19Å; F393-D401 HydrophobicContact CE1-CB 3.84Å; F393-D401 HydrophobicContact CZ-CB 3.94Å; F393-D401 PolarHBondContact N-O 3.05Å; F393-D401 PolarHBondContact O-N 2.9Å; F393-F402 WeakPolarHBondContact O-CE2 3.18Å; F393-F402 WeakPolarHBondContact O-CZ 3.37Å
394	L	98	Very high	97.2	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	117.2	160.6	174.9	62.1	0	0	0	107.8	V76 L77 G91 A92 A351 M352 A400	V76-L394 HydrophobicContact CB-CD2 3.92Å; V76-L394 HydrophobicContact CB-CG 4.37Å; V76-L394 HydrophobicContact CG1-CB 4.28Å; V76-L394 HydrophobicContact CG1-CD2 3.85Å; V76-L394 HydrophobicContact CG1-CG 3.73Å; V76-L394 WeakPolarHBondContact CG1-O 2.97Å; V76-L394 HydrophobicContact CG2-CD2 4.26Å; L77-L394 HydrophobicContact CD2-CD1 4.42Å; G91-L394 CarbonylContact C-O 3.5Å; G91-L394 WeakPolarHBondContact CA-O 3.41Å; A92-L394 PolarHBondContact N-O 3.16Å; A92-L394 PolarHBondContact O-N 2.95Å; A351-L394 HydrophobicContact CB-CD1 3.81Å; M352-L394 HydrophobicContact CE-CB 4.11Å; M352-L394 HydrophobicContact CE-CD1 4.04Å; M352-L394 HydrophobicContact CE-CD2 4.03Å; M352-L394 HydrophobicContact CE-CG 4.28Å; M352-L394 HydrophobicContact CG-CD2 3.81Å; M352-L394 HydrophobicContact SD-CD2 4.07Å; L394-A400 HydrophobicContact CD1-CB 4.34Å
395	G	96.4	Very high	97.2	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	153.3	174.1	0	0	0	0	0	111.7	G90 N397 D398 Q399	G90-G395 CarbonylContact O-C 3.53Å; G90-G395 WeakPolarHBondContact O-CA 3.45Å; G395-N397 PolarHBondContact O-N 3.27Å; G395-N397 VanDerWaalsContact O-N 3.09Å; G395-D398 PolarHBondContact O-N 3.3Å; G395-Q399 PolarHBondContact N-O 2.86Å
396	Q	95.3	Very high	97.1	Very high	6 Å²	6	8.8 Å²	8.8	3%	0.028	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.5	176.6	66.4	178.2	32.1	0	0	113.9	V76 V78 Q89 G90 Y146	V76-Q396 WeakPolarHBondContact O-CA 3.41Å; V76-Q396 WeakPolarHBondContact O-CB 3.49Å; V78-Q396 HydrophobicContact CB-CB 4.43Å; V78-Q396 HydrophobicContact CG2-CB 4.43Å; V78-Q396 PolarHBondContact N-O 2.94Å; Q89-Q396 HydrophobicContact CB-CG 3.8Å; Q89-Q396 PolarHBondContact O-NE2 3.37Å; Q89-Q396 PolarHBondContact O-OE1 3Å; G90-Q396 PolarHBondContact O-N 3.14Å; Y146-Q396 WeakPolarHBondContact OH-CB 3.21Å
397	N	94	Very high	96.9	Very high	30 Å²	30	13.4 Å²	13.4	16%	0.16	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	18.8	175.6	65.9	-25.7	0	0	0	113.3	E82 Q89 G395 Q399	E82-N397 HydrophobicContact CG-CB 4.01Å; E82-N397 PolarHBondContact OE2-ND2 3.44Å; Q89-N397 HydrophobicContact CG-CB 4.42Å; G395-N397 PolarHBondContact O-N 3.27Å; G395-N397 VanDerWaalsContact O-N 3.09Å; N397-Q399 PolarHBondContact ND2-NE2 2.89Å; N397-Q399 PolarHBondContact ND2-OE1 2.93Å; N397-Q399 PolarHBondContact O-N 2.56Å
398	D	95.4	Very high	96.8	Very high	34 Å²	34	12.9 Å²	12.9	18%	0.182	6%	0.061	C	C	.	.	S	Bend	trans	62.2	21.7	179.9	-160	34	0	0	0	114.8	L77 T350 A351 G395	L77-D398 HydrophobicContact CD1-CB 4.21Å; L77-D398 HydrophobicContact CD2-CB 3.73Å; T350-D398 WeakPolarHBondContact CA-OD2 3.42Å; T350-D398 WeakPolarHBondContact CB-OD1 3.45Å; T350-D398 VanDerWaalsContact CB-OD2 3.28Å; T350-D398 WeakPolarHBondContact CB-OD2 3.32Å; A351-D398 WeakPolarHBondContact CB-O 3.08Å; A351-D398 WeakPolarHBondContact CB-OD1 3.27Å; A351-D398 PolarHBondContact N-OD1 2.75Å; A351-D398 PolarHBondContact N-OD2 3.02Å; G395-D398 PolarHBondContact O-N 3.3Å
399	Q	95.1	Very high	96.7	Very high	43 Å²	43	12.9 Å²	12.9	20%	0.201	6%	0.061	C	C	.	.			trans	-86.9	144.8	166.6	-67.1	-177.2	-0.9	0	0	110.3	V260 G395 N397	V260-Q399 VanDerWaalsContact O-CA 3.31Å; V260-Q399 WeakPolarHBondContact O-CA 3.43Å; G395-Q399 PolarHBondContact N-O 2.86Å; N397-Q399 PolarHBondContact ND2-NE2 2.89Å; N397-Q399 PolarHBondContact ND2-OE1 2.93Å; N397-Q399 PolarHBondContact O-N 2.56Å
400	A	97.2	Very high	96.7	Very high	3 Å²	3	13.4 Å²	13.4	3%	0.025	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	148.5	178.6	0	0	0	0	0	112.3	T259 V260 A351 F393 L394 F402	T259-A400 CarbonylContact C-O 3.59Å; T259-A400 VanDerWaalsContact CA-O 3.31Å; T259-A400 WeakPolarHBondContact CA-O 3.39Å; T259-A400 WeakPolarHBondContact CG2-O 3.47Å; V260-A400 HydrophobicContact CB-CB 4.45Å; V260-A400 PolarHBondContact N-O 3.31Å; V260-A400 PolarHBondContact O-N 3.35Å; A351-A400 HydrophobicContact CB-CB 3.65Å; F393-A400 VanDerWaalsContact O-CA 3.26Å; F393-A400 WeakPolarHBondContact O-CA 3.16Å; F393-A400 WeakPolarHBondContact O-CB 3.19Å; L394-A400 HydrophobicContact CD1-CB 4.34Å; A400-F402 HydrophobicContact CB-CD2 4.04Å; A400-F402 HydrophobicContact CB-CE2 3.77Å
401	D	97	Very high	96.5	Very high	6 Å²	6	13.6 Å²	13.6	3%	0.032	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	114.7	170.1	-167.4	12.1	0	0	0	108.8	R31 Y238 T259 G392 F393	R31-D401 WeakPolarHBondContact CD-OD2 3.41Å; R31-D401 IonicContact NE-OD2 2.69Å; R31-D401 PolarHBondContact NE-OD2 3.35Å; Y238-D401 WeakPolarHBondContact CE1-OD1 3.32Å; Y238-D401 WeakPolarHBondContact CE1-OD2 3.39Å; Y238-D401 PolarHBondContact OH-OD1 3.46Å; T259-D401 HydrophobicContact CG2-CB 4.18Å; T259-D401 PolarHBondContact OG1-OD1 3.23Å; G392-D401 VanDerWaalsContact CA-O 3.23Å; G392-D401 WeakPolarHBondContact CA-O 3.37Å; F393-D401 HydrophobicContact CE1-CB 3.84Å; F393-D401 HydrophobicContact CZ-CB 3.94Å; F393-D401 PolarHBondContact N-O 3.05Å; F393-D401 PolarHBondContact O-N 2.9Å
402	F	97.9	Very high	96.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	124.2	-177.2	-75.2	-75.8	0	0	0	110.8	F122 L257 V258 M352 L355 A390 F393 A400	F122-F402 AromaticContact CE1-CE1 3.94Å; F122-F402 HydrophobicContact CE1-CE1 3.94Å; F122-F402 HydrophobicContact CE1-CZ 4.07Å; F122-F402 AromaticContact CZ-CE1 3.67Å; F122-F402 HydrophobicContact CZ-CE1 3.67Å; F122-F402 AromaticContact CZ-CZ 3.9Å; F122-F402 HydrophobicContact CZ-CZ 3.9Å; L257-F402 HydrophobicContact CB-CB 4.49Å; L257-F402 WeakPolarHBondContact CB-O 3.33Å; L257-F402 PolarHBondContact N-O 3.14Å; V258-F402 HydrophobicContact CG1-CB 4.35Å; V258-F402 HydrophobicContact CG1-CD2 4.45Å; V258-F402 PolarHBondContact N-O 2.84Å; V258-F402 PolarHBondContact O-N 3.16Å; M352-F402 HydrophobicContact CE-CE2 3.68Å; M352-F402 HydrophobicContact CE-CZ 4.11Å; L355-F402 HydrophobicContact CD1-CB 4.38Å; L355-F402 HydrophobicContact CD1-CD2 4.19Å; L355-F402 HydrophobicContact CD1-CG 4.2Å; L355-F402 HydrophobicContact CD2-CD2 4.02Å; L355-F402 HydrophobicContact CD2-CE1 4.35Å; L355-F402 HydrophobicContact CD2-CE2 3.8Å; L355-F402 HydrophobicContact CD2-CG 4.37Å; L355-F402 HydrophobicContact CD2-CZ 3.98Å; A390-F402 HydrophobicContact CB-CB 4.17Å; A390-F402 HydrophobicContact CB-CD1 3.98Å; A390-F402 HydrophobicContact CB-CG 4.3Å; F393-F402 WeakPolarHBondContact O-CE2 3.18Å; F393-F402 WeakPolarHBondContact O-CZ 3.37Å; A400-F402 HydrophobicContact CB-CD2 4.04Å; A400-F402 HydrophobicContact CB-CE2 3.77Å
403	A	97.4	Very high	96.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	152.5	167.9	0	0	0	0	0	110.6	Y238 Y240 E255 A390 V391	Y238-A403 HydrophobicContact CD1-CB 3.71Å; Y238-A403 HydrophobicContact CD2-CB 3.75Å; Y238-A403 HydrophobicContact CE1-CB 4.18Å; Y238-A403 HydrophobicContact CE2-CB 4.27Å; Y238-A403 HydrophobicContact CG-CB 3.45Å; Y238-A403 VanDerWaalsContact CG-CB 3.45Å; Y240-A403 HydrophobicContact CE1-CB 4.27Å; E255-A403 WeakPolarHBondContact O-CA 3.34Å; A390-A403 CarbonylContact C-O 3.48Å; A390-A403 VanDerWaalsContact CA-O 3.31Å; A390-A403 WeakPolarHBondContact CA-O 3.2Å; V391-A403 PolarHBondContact N-O 2.8Å; V391-A403 PolarHBondContact O-N 3.44Å
404	I	97.4	Very high	95.8	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	134.1	166.7	-53.5	173.1	0	0	0	108.1	S253 E255 L257 A361 V364 I406	S253-I404 VanDerWaalsContact CB-O 3.25Å; S253-I404 WeakPolarHBondContact CB-O 3.41Å; S253-I404 PolarHBondContact OG-O 3.2Å; E255-I404 HydrophobicContact CB-CD1 3.95Å; E255-I404 HydrophobicContact CB-CG1 4.5Å; E255-I404 HydrophobicContact CG-CD1 3.6Å; E255-I404 HydrophobicContact CG-CG1 4.47Å; E255-I404 PolarHBondContact O-N 3.38Å; E255-I404 WeakPolarHBondContact OE2-CD1 3.24Å; L257-I404 HydrophobicContact CB-CG1 3.83Å; L257-I404 HydrophobicContact CD1-CG1 4.4Å; A361-I404 HydrophobicContact CB-CD1 3.4Å; A361-I404 VanDerWaalsContact CB-CD1 3.4Å; A361-I404 HydrophobicContact CB-CG1 3.98Å; V364-I404 HydrophobicContact CG1-CG2 3.95Å; V364-I404 HydrophobicContact CG2-CG2 4.21Å; I404-I406 HydrophobicContact CB-CG1 4.3Å; I404-I406 HydrophobicContact CG2-CG1 4.26Å; I404-I406 HydrophobicContact CG2-CG2 3.96Å; I404-I406 PolarHBondContact O-N 3.32Å
405	A	97.9	Very high	95.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-75.6	65.8	177.7	0	0	0	0	0	112.2	I386 A388 G389 V391 T408	I386-A405 HydrophobicContact CG2-CB 4.15Å; I386-A405 WeakPolarHBondContact O-CB 3.11Å; A388-A405 PolarHBondContact N-O 2.52Å; G389-A405 PolarHBondContact O-N 3.23Å; V391-A405 HydrophobicContact CG2-CB 3.99Å; A405-T408 VanDerWaalsContact C-OG1 3.3Å
406	I	94.8	Very high	95.5	Very high	29 Å²	29	30.6 Å²	30.6	15%	0.149	15%	0.151	C	C	.	.			trans	-120.3	157.7	171.2	55.9	170.4	0	0	0	109.6	P254 E255 V364 Y387 I404 T408	P254-I406 HydrophobicContact CG-CD1 4.21Å; E255-I406 HydrophobicContact CB-CD1 4.44Å; V364-I406 HydrophobicContact CG1-CG2 3.65Å; Y387-I406 HydrophobicContact CE2-CG2 4.12Å; I404-I406 HydrophobicContact CB-CG1 4.3Å; I404-I406 HydrophobicContact CG2-CG1 4.26Å; I404-I406 HydrophobicContact CG2-CG2 3.96Å; I404-I406 PolarHBondContact O-N 3.32Å; I406-T408 PolarHBondContact N-OG1 3.17Å; I406-T408 PolarHBondContact O-N 3.07Å; I406-T408 PolarHBondContact O-OG1 2.83Å
407	R	93.8	Very high	95.6	Very high	98 Å²	98	31.2 Å²	31.2	37%	0.37	15%	0.154	S	C	.	.	S	Bend	trans	50.3	46.7	-167.5	-58.5	-171.8	-179	-178.6	-1.7	110.5	G251 S252	G251-R407 VanDerWaalsContact CA-O 3.27Å; G251-R407 WeakPolarHBondContact CA-O 3.22Å; S252-R407 PolarHBondContact N-O 3.35Å; S252-R407 WeakPolarHBondContact O-CB 3.18Å
408	T	96.6	Very high	95.7	Very high	10 Å²	10	29.8 Å²	29.8	6%	0.061	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131.1	-178.9	-46.9	0	0	0	0	109.3	Y240 V249 I250 A405 I406	Y240-T408 HydrophobicContact CE2-CG2 3.98Å; Y240-T408 PolarHBondContact OH-OG1 3.07Å; V249-T408 HydrophobicContact CG1-CG2 3.58Å; I250-T408 CarbonylContact O-C 3.59Å; I250-T408 VanDerWaalsContact O-CA 3.3Å; I250-T408 WeakPolarHBondContact O-CA 3.49Å; A405-T408 VanDerWaalsContact C-OG1 3.3Å; I406-T408 PolarHBondContact N-OG1 3.17Å; I406-T408 PolarHBondContact O-N 3.07Å; I406-T408 PolarHBondContact O-OG1 2.83Å
409	M	96	Very high	95.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	133	165.6	179.3	176	-74	0	0	109.1	L179 F181 F219 Y226 I250 V411 A416 H417 V418	L179-M409 HydrophobicContact CD1-CE 4.24Å; F181-M409 HydrophobicContact CZ-CE 3.78Å; F219-M409 HydrophobicContact CD2-SD 4.4Å; F219-M409 HydrophobicContact CE2-SD 4.1Å; Y226-M409 HydrophobicContact CD1-SD 3.99Å; Y226-M409 HydrophobicContact CD2-CE 4.28Å; Y226-M409 HydrophobicContact CD2-SD 4.16Å; Y226-M409 HydrophobicContact CE1-CB 4.27Å; Y226-M409 HydrophobicContact CE1-CE 3.89Å; Y226-M409 HydrophobicContact CE1-SD 3.71Å; Y226-M409 HydrophobicContact CE2-CE 3.48Å; Y226-M409 VanDerWaalsContact CE2-CE 3.48Å; Y226-M409 HydrophobicContact CE2-SD 3.91Å; Y226-M409 HydrophobicContact CG-SD 4.23Å; Y226-M409 VanDerWaalsContact OH-CE 3.27Å; Y226-M409 WeakPolarHBondContact OH-CE 3.14Å; I250-M409 HydrophobicContact CB-CB 4.47Å; I250-M409 PolarHBondContact N-O 2.97Å; I250-M409 PolarHBondContact O-N 3.24Å; M409-V411 HydrophobicContact CG-CG2 4.09Å; M409-V411 HydrophobicContact SD-CG2 4.12Å; M409-A416 HydrophobicContact CE-CB 4.02Å; M409-A416 HydrophobicContact CG-CB 4.03Å; M409-A416 HydrophobicContact SD-CB 3.65Å; M409-H417 WeakPolarHBondContact CA-O 3.36Å; M409-V418 HydrophobicContact CB-CG2 4.11Å; M409-V418 HydrophobicContact CE-CG2 3.7Å; M409-V418 HydrophobicContact CG-CG2 4.22Å
410	V	97.3	Very high	95.8	Very high	11 Å²	11	27.1 Å²	27.1	7%	0.067	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	118.4	171.8	179.5	0	0	0	0	107.5	V247 Q248 I386 H417	V247-V410 HydrophobicContact CG2-CG1 3.49Å; V247-V410 VanDerWaalsContact CG2-CG1 3.49Å; Q248-V410 WeakPolarHBondContact O-CA 3.36Å; I386-V410 HydrophobicContact CB-CG2 4.11Å; I386-V410 HydrophobicContact CD1-CG1 4.03Å; I386-V410 HydrophobicContact CD1-CG2 3.75Å; I386-V410 HydrophobicContact CG1-CG2 4.49Å; I386-V410 HydrophobicContact CG2-CG2 4.39Å; V410-H417 HydrophobicContact CB-CB 4.49Å; V410-H417 PolarHBondContact N-O 2.9Å; V410-H417 PolarHBondContact O-CD2 3.06Å; V410-H417 PolarHBondContact O-N 2.82Å
411	V	95.8	Very high	95.6	Very high	5 Å²	5	27.2 Å²	27.2	3%	0.03	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122.4	175.1	-175.9	0	0	0	0	108.6	F219 P223 V247 Q248 I250 M409 Q415 A416	F219-V411 HydrophobicContact CB-CG1 4.48Å; F219-V411 HydrophobicContact CD1-CG1 3.63Å; F219-V411 HydrophobicContact CD1-CG2 4.07Å; F219-V411 HydrophobicContact CE1-CG1 4.17Å; F219-V411 HydrophobicContact CE1-CG2 4.07Å; F219-V411 HydrophobicContact CG-CG1 4.24Å; F219-V411 HydrophobicContact CG-CG2 4.37Å; F219-V411 HydrophobicContact CZ-CG2 4.38Å; P223-V411 HydrophobicContact CB-CG2 4.46Å; P223-V411 HydrophobicContact CG-CG1 4.27Å; V247-V411 CarbonylContact C-O 3.51Å; V247-V411 WeakPolarHBondContact CA-O 3.25Å; Q248-V411 HydrophobicContact CB-CB 4.24Å; Q248-V411 PolarHBondContact N-O 3.09Å; Q248-V411 PolarHBondContact O-N 3.08Å; I250-V411 HydrophobicContact CD1-CG2 4.05Å; M409-V411 HydrophobicContact CG-CG2 4.09Å; M409-V411 HydrophobicContact SD-CG2 4.12Å; V411-Q415 CarbonylContact C-O 3.42Å; V411-Q415 VanDerWaalsContact CA-O 3.27Å; V411-Q415 WeakPolarHBondContact CA-O 3.44Å; V411-A416 HydrophobicContact CG2-CB 4.44Å
412	K	95	Very high	95.4	Very high	35 Å²	35	27 Å²	27	15%	0.152	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	139.4	178	175.8	163.4	-175.3	-70.1	0	109.8	L115 V117 V247 N414 Q415	L115-K412 WeakPolarHBondContact O-CD 3.42Å; L115-K412 WeakPolarHBondContact O-CE 3.45Å; L115-K412 PolarHBondContact O-NZ 2.82Å; V117-K412 HydrophobicContact CG1-CD 3.51Å; V247-K412 HydrophobicContact CG2-CB 4.48Å; K412-N414 VanDerWaalsContact C-N 3.27Å; K412-N414 PolarHBondContact O-N 2.84Å; K412-Q415 PolarHBondContact N-O 2.92Å; K412-Q415 PolarHBondContact O-N 3.02Å
413	D	92.9	Very high	95.1	Very high	116 Å²	116	27.9 Å²	27.9	62%	0.62	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	42.3	176.8	-56.7	-38.3	0	0	0	114.1	Q415	D413-Q415 PolarHBondContact O-N 3.29Å
414	N	90.7	Very high	94.9	Very high	116 Å²	116	27.9 Å²	27.9	62%	0.62	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	25.9	-174.4	-53.9	-45.1	0	0	0	114.6	F219 K412	F219-N414 PolarHBondContact N-O 2.82Å; F219-N414 CarbonylContact O-C 3.44Å; F219-N414 WeakPolarHBondContact O-CA 3.36Å; K412-N414 VanDerWaalsContact C-N 3.27Å; K412-N414 PolarHBondContact O-N 2.84Å
415	Q	94.4	Very high	94.6	Very high	99 Å²	99	29 Å²	29	46%	0.463	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	138.4	172.1	-62.7	-166.9	-7.6	0	0	110.3	A217 V411 K412 D413 H417	A217-Q415 CarbonylContact O-C 3.29Å; A217-Q415 WeakPolarHBondContact O-CA 3.35Å; V411-Q415 CarbonylContact C-O 3.42Å; V411-Q415 VanDerWaalsContact CA-O 3.27Å; V411-Q415 WeakPolarHBondContact CA-O 3.44Å; K412-Q415 PolarHBondContact N-O 2.92Å; K412-Q415 PolarHBondContact O-N 3.02Å; D413-Q415 PolarHBondContact O-N 3.29Å; Q415-H417 PolarHBondContact OE1-CE1 3.5Å
416	A	94.5	Very high	94.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	128.7	170	0	0	0	0	0	109.5	F181 S216 A217 F219 M409 V411	F181-A416 HydrophobicContact CE1-CB 4.44Å; F181-A416 HydrophobicContact CZ-CB 4.44Å; S216-A416 CarbonylContact C-O 3.54Å; S216-A416 VanDerWaalsContact CA-O 3.24Å; S216-A416 WeakPolarHBondContact CA-O 3.42Å; A217-A416 PolarHBondContact N-O 2.93Å; A217-A416 PolarHBondContact O-N 2.91Å; F219-A416 HydrophobicContact CB-CB 3.68Å; F219-A416 HydrophobicContact CD2-CB 3.61Å; F219-A416 HydrophobicContact CG-CB 3.87Å; M409-A416 HydrophobicContact CE-CB 4.02Å; M409-A416 HydrophobicContact CG-CB 4.03Å; M409-A416 HydrophobicContact SD-CB 3.65Å; V411-A416 HydrophobicContact CG2-CB 4.44Å
417	H	96.5	Very high	93.7	Very high	19 Å²	19	38.6 Å²	38.6	9%	0.088	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127.1	177.9	-53.7	-75.6	0	0	0	110.2	L115 R214 L215 S216 M409 V410 Q415	L115-H417 HydrophobicContact CD2-CB 4.46Å; L115-H417 WeakPolarHBondContact CD2-CD2 3.44Å; L115-H417 WeakPolarHBondContact CD2-NE2 3.37Å; R214-H417 HydrophobicContact CG-CB 4.4Å; L215-H417 WeakPolarHBondContact O-CA 3.17Å; S216-H417 WeakPolarHBondContact CB-ND1 3.29Å; S216-H417 PolarHBondContact OG-ND1 3.24Å; M409-H417 WeakPolarHBondContact CA-O 3.36Å; V410-H417 HydrophobicContact CB-CB 4.49Å; V410-H417 PolarHBondContact N-O 2.9Å; V410-H417 PolarHBondContact O-CD2 3.06Å; V410-H417 PolarHBondContact O-N 2.82Å; Q415-H417 PolarHBondContact OE1-CE1 3.5Å
418	V	95.4	Very high	93.4	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.8	174.3	173.6	0	0	0	0	108.1	F181 R214 L215 M409 A441 L444	F181-V418 HydrophobicContact CE1-CB 4.44Å; F181-V418 HydrophobicContact CE1-CG2 4.02Å; F181-V418 HydrophobicContact CZ-CG2 4.24Å; R214-V418 CarbonylContact C-O 3.55Å; R214-V418 WeakPolarHBondContact CA-O 3.44Å; L215-V418 PolarHBondContact N-O 3.21Å; L215-V418 PolarHBondContact O-N 2.89Å; M409-V418 HydrophobicContact CB-CG2 4.11Å; M409-V418 HydrophobicContact CE-CG2 3.7Å; M409-V418 HydrophobicContact CG-CG2 4.22Å; V418-A441 HydrophobicContact CG1-CB 3.94Å; V418-L444 HydrophobicContact CB-CD1 4.31Å; V418-L444 HydrophobicContact CG1-CB 4.2Å; V418-L444 HydrophobicContact CG1-CD1 3.42Å; V418-L444 VanDerWaalsContact CG1-CD1 3.42Å; V418-L444 HydrophobicContact CG1-CG 4.44Å; V418-L444 HydrophobicContact CG2-CB 4.02Å; V418-L444 HydrophobicContact CG2-CD1 3.94Å
419	Q	97.1	Very high	93.2	Very high	14 Å²	14	37.5 Å²	37.5	7%	0.065	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137	179.9	-172.7	163.6	-8.2	0	0	110.3	S212 Q213 R214 Y387	S212-Q419 PolarHBondContact OG-NE2 3.38Å; Q213-Q419 WeakPolarHBondContact O-CA 3.46Å; Q213-Q419 WeakPolarHBondContact O-CG 3.49Å; R214-Q419 HydrophobicContact CB-CB 4.42Å; R214-Q419 HydrophobicContact CB-CG 4.33Å; Y387-Q419 HydrophobicContact CD1-CB 4.2Å; Y387-Q419 HydrophobicContact CD1-CG 3.51Å; Y387-Q419 HydrophobicContact CD2-CB 3.66Å; Y387-Q419 HydrophobicContact CD2-CG 3.84Å; Y387-Q419 WeakPolarHBondContact CD2-O 3.39Å; Y387-Q419 HydrophobicContact CE1-CG 3.85Å; Y387-Q419 HydrophobicContact CE2-CB 4.24Å; Y387-Q419 HydrophobicContact CE2-CG 4.16Å; Y387-Q419 WeakPolarHBondContact CE2-O 3.25Å; Y387-Q419 HydrophobicContact CG-CB 3.63Å; Y387-Q419 HydrophobicContact CG-CG 3.5Å; Y387-Q419 VanDerWaalsContact CG-CG 3.5Å
420	A	95.3	Very high	93.1	Very high	6 Å²	6	38.5 Å²	38.5	5%	0.05	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	145.6	-177.6	0	0	0	0	0	110.7	S212 Q213 T437 K440 A441	S212-A420 VanDerWaalsContact CA-O 3.27Å; S212-A420 WeakPolarHBondContact CA-O 3.33Å; S212-A420 VanDerWaalsContact CB-O 3.3Å; S212-A420 WeakPolarHBondContact CB-O 3.31Å; Q213-A420 PolarHBondContact N-O 3.29Å; Q213-A420 PolarHBondContact O-N 2.92Å; Q213-A420 VanDerWaalsContact O-N 3.12Å; A420-T437 VanDerWaalsContact CB-O 3.23Å; A420-T437 WeakPolarHBondContact CB-O 3.22Å; A420-K440 HydrophobicContact CB-CB 4.01Å; A420-A441 HydrophobicContact CB-CB 4.15Å
421	G	94.8	Very high	92.9	Very high	6 Å²	6	40.3 Å²	40.3	6%	0.062	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	165.4	-176	0	0	0	0	0	112.8	P211 Y387 K440	P211-G421 WeakPolarHBondContact O-CA 3.48Å; Y387-G421 PolarHBondContact OH-N 3.25Å; Y387-G421 VanDerWaalsContact OH-N 3.11Å; G421-K440 WeakPolarHBondContact O-CD 3.34Å; G421-K440 PolarHBondContact O-NZ 3.4Å
422	A	91.5	Very high	92.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.			trans	-130.5	138.6	-177.6	0	0	0	0	0	109.9	V210 P211 I424 E433 T437	V210-A422 WeakPolarHBondContact CA-O 3.34Å; P211-A422 WeakPolarHBondContact CD-O 3.25Å; P211-A422 PolarHBondContact O-N 2.97Å; P211-A422 VanDerWaalsContact O-N 3.14Å; A422-I424 HydrophobicContact CB-CD1 4.3Å; A422-I424 PolarHBondContact O-N 2.94Å; A422-E433 HydrophobicContact CB-CB 4.09Å; A422-T437 HydrophobicContact CB-CG2 3.72Å
423	G	92.3	Very high	92.3	Very high	20 Å²	20	42.9 Å²	42.9	21%	0.206	23%	0.23	C	C	.	.			trans	-81.4	106.8	-178.9	0	0	0	0	0	110.6
424	I	94	Very high	92.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-86.4	124.1	-177.2	-49.3	-52.2	0	0	0	110	V194 A197 K198 I201 Q208 V209 P211 A422 E433	V194-I424 HydrophobicContact CB-CD1 4.38Å; V194-I424 HydrophobicContact CG1-CD1 3.9Å; V194-I424 HydrophobicContact CG1-CG1 4.41Å; V194-I424 HydrophobicContact CG1-CG2 3.99Å; V194-I424 HydrophobicContact CG2-CD1 3.79Å; V194-I424 HydrophobicContact CG2-CG1 4.4Å; A197-I424 HydrophobicContact CB-CB 4.1Å; A197-I424 HydrophobicContact CB-CG1 4.37Å; A197-I424 HydrophobicContact CB-CG2 3.78Å; K198-I424 HydrophobicContact CG-CG2 3.93Å; I201-I424 HydrophobicContact CD1-CG2 4.2Å; I201-I424 VanDerWaalsContact CD1-O 3.29Å; I201-I424 WeakPolarHBondContact CD1-O 3.41Å; Q208-I424 WeakPolarHBondContact CA-O 3.32Å; V209-I424 HydrophobicContact CG1-CB 4.3Å; V209-I424 PolarHBondContact N-O 3.2Å; V209-I424 WeakPolarHBondContact O-CB 3.43Å; V209-I424 PolarHBondContact O-N 2.97Å; P211-I424 HydrophobicContact CG-CD1 4.31Å; P211-I424 HydrophobicContact CG-CG1 3.64Å; A422-I424 HydrophobicContact CB-CD1 4.3Å; A422-I424 PolarHBondContact O-N 2.94Å; I424-E433 HydrophobicContact CD1-CB 3.87Å; I424-E433 HydrophobicContact CD1-CG 3.63Å
425	V	89.8	Confident	92.3	Very high	24 Å²	24	38.2 Å²	38.2	15%	0.145	20%	0.198	C	C	.	.			trans	-121.5	175.1	175.2	-69.6	0	0	0	0	110.2	Q208 D427 S428	Q208-V425 HydrophobicContact CB-CG1 4.4Å; Q208-V425 HydrophobicContact CG-CG1 4.29Å; V425-D427 WeakPolarHBondContact CG2-OD1 3.38Å; V425-D427 PolarHBondContact O-N 2.76Å; V425-D427 VanDerWaalsContact O-N 3.15Å; V425-S428 WeakPolarHBondContact CG2-OG 3.43Å; V425-S428 PolarHBondContact N-OG 3.47Å; V425-S428 WeakPolarHBondContact O-CB 3.48Å; V425-S428 PolarHBondContact O-N 2.96Å; V425-S428 VanDerWaalsContact O-N 3.16Å; V425-S428 PolarHBondContact O-OG 3.42Å
426	Y	87.8	Confident	91.9	Very high	165 Å²	165	37.2 Å²	37.2	65%	0.647	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-28.4	-172.8	81.1	-82.4	0	0	0	113.9	K198	K198-Y426 WeakPolarHBondContact CE-O 3.41Å; K198-Y426 PolarHBondContact NZ-O 3.46Å
427	D	86.2	Confident	91.8	Very high	66 Å²	66	37.2 Å²	37.2	35%	0.353	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	1.4	-178.4	65.9	-36.5	0	0	0	113.8	K295 V425	K295-D427 IonicContact NZ-OD1 2.73Å; K295-D427 PolarHBondContact NZ-OD1 3.43Å; K295-D427 IonicContact NZ-OD2 3.97Å; K295-D427 PolarHBondContact NZ-OD2 2.93Å; V425-D427 WeakPolarHBondContact CG2-OD1 3.38Å; V425-D427 PolarHBondContact O-N 2.76Å; V425-D427 VanDerWaalsContact O-N 3.15Å
428	S	88.1	Confident	91.4	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.021	20%	0.199	C	C	.	.			trans	-53.4	140.1	179.6	-77.4	0	0	0	0	113.3	K198 V425 E433	K198-S428 VanDerWaalsContact CD-O 3.3Å; K198-S428 WeakPolarHBondContact CD-O 3.32Å; K198-S428 WeakPolarHBondContact CE-O 3.46Å; K198-S428 PolarHBondContact NZ-O 2.98Å; V425-S428 WeakPolarHBondContact CG2-OG 3.43Å; V425-S428 PolarHBondContact N-OG 3.47Å; V425-S428 WeakPolarHBondContact O-CB 3.48Å; V425-S428 PolarHBondContact O-N 2.96Å; V425-S428 VanDerWaalsContact O-N 3.16Å; V425-S428 PolarHBondContact O-OG 3.42Å; S428-E433 WeakPolarHBondContact CA-OE1 3.45Å; S428-E433 WeakPolarHBondContact CB-OE1 3.43Å; S428-E433 PolarHBondContact OG-OE1 3.41Å
429	N	91.1	Very high	90.7	Very high	82 Å²	82	44.1 Å²	44.1	44%	0.439	23%	0.227	S	C	.	.			trans	-100.1	115.3	175.6	177.7	-67.9	0	0	0	109.9	T431 S432 E433	N429-T431 VanDerWaalsContact C-N 3.26Å; N429-T431 PolarHBondContact O-N 3.36Å; N429-T431 WeakPolarHBondContact OD1-CB 3.44Å; N429-T431 PolarHBondContact OD1-N 2.97Å; N429-S432 PolarHBondContact O-N 3.26Å; N429-S432 PolarHBondContact OD1-N 3.36Å; N429-S432 VanDerWaalsContact OD1-N 3.09Å; N429-S432 PolarHBondContact OD1-OG 2.77Å; N429-E433 VanDerWaalsContact O-CG 3.3Å; N429-E433 WeakPolarHBondContact O-CG 3.43Å; N429-E433 PolarHBondContact O-N 2.69Å
430	P	94.5	Very high	90.1	Very high	20 Å²	20	47.4 Å²	47.4	13%	0.13	24%	0.241	C	C	.	.	H	α-helix	trans	-47.7	-44.1	-174	-29.7	34.5	0	0	0	115.3	E191 V194 R195 Y434	E191-P430 HydrophobicContact CB-CB 3.76Å; E191-P430 HydrophobicContact CG-CB 3.75Å; V194-P430 HydrophobicContact CB-CB 4.12Å; V194-P430 HydrophobicContact CB-CG 4.37Å; V194-P430 HydrophobicContact CG1-CB 4.13Å; V194-P430 HydrophobicContact CG1-CG 4.02Å; R195-P430 HydrophobicContact CG-CG 3.89Å; P430-Y434 PolarHBondContact O-N 3.19Å; P430-Y434 VanDerWaalsContact O-N 3.14Å
431	T	94.2	Very high	89.7	Confident	50 Å²	50	47.2 Å²	47.2	31%	0.307	24%	0.239	S	C	.	.	H	α-helix	trans	-70.4	-43.6	-178.8	-55.7	0	0	0	0	111.6	E191 N429 Y434 F435	E191-T431 WeakPolarHBondContact OE1-CA 3.25Å; E191-T431 WeakPolarHBondContact OE1-CB 3.45Å; E191-T431 PolarHBondContact OE1-OG1 3.25Å; N429-T431 VanDerWaalsContact C-N 3.26Å; N429-T431 PolarHBondContact O-N 3.36Å; N429-T431 WeakPolarHBondContact OD1-CB 3.44Å; N429-T431 PolarHBondContact OD1-N 2.97Å; T431-Y434 PolarHBondContact O-N 3.01Å; T431-F435 HydrophobicContact CG2-CD2 3.81Å; T431-F435 HydrophobicContact CG2-CE2 3.54Å; T431-F435 WeakPolarHBondContact O-CD2 3.22Å; T431-F435 PolarHBondContact O-N 3.42Å; T431-F435 VanDerWaalsContact O-N 3.12Å
432	S	87.1	Confident	89.1	Confident	72 Å²	72	50.6 Å²	50.6	50%	0.503	25%	0.252	S	S	.	.	H	α-helix	trans	-61	-44.4	176.4	-58.5	0	0	0	0	111.9	N429 Y434 F435 E436	N429-S432 PolarHBondContact O-N 3.26Å; N429-S432 PolarHBondContact OD1-N 3.36Å; N429-S432 VanDerWaalsContact OD1-N 3.09Å; N429-S432 PolarHBondContact OD1-OG 2.77Å; S432-Y434 VanDerWaalsContact C-N 3.34Å; S432-Y434 PolarHBondContact O-N 2.86Å; S432-F435 PolarHBondContact O-N 3.39Å; S432-E436 PolarHBondContact O-N 3.22Å
433	E	90.5	Very high	88.2	Confident	21 Å²	21	51.8 Å²	51.8	10%	0.098	26%	0.262	C	S	.	.	H	α-helix	trans	-64	-39.2	179.6	-56.2	-61.3	168.4	0	0	111.6	F190 V194 A422 I424 S428 N429 E436 T437	F190-E433 HydrophobicContact CE1-CB 4.46Å; V194-E433 HydrophobicContact CG1-CG 4.29Å; V194-E433 HydrophobicContact CG2-CB 4.14Å; A422-E433 HydrophobicContact CB-CB 4.09Å; I424-E433 HydrophobicContact CD1-CB 3.87Å; I424-E433 HydrophobicContact CD1-CG 3.63Å; S428-E433 WeakPolarHBondContact CA-OE1 3.45Å; S428-E433 WeakPolarHBondContact CB-OE1 3.43Å; S428-E433 PolarHBondContact OG-OE1 3.41Å; N429-E433 VanDerWaalsContact O-CG 3.3Å; N429-E433 WeakPolarHBondContact O-CG 3.43Å; N429-E433 PolarHBondContact O-N 2.69Å; E433-E436 PolarHBondContact O-N 2.83Å; E433-T437 WeakPolarHBondContact O-CG2 3.49Å; E433-T437 PolarHBondContact O-N 3Å
434	Y	94.1	Very high	87.7	Confident	31 Å²	31	51 Å²	51	12%	0.122	25%	0.253	C	S	.	.	H	α-helix	trans	-58.2	-52.6	172.6	169.8	-102.8	0	0	0	111.5	Q187 F190 Q213 P430 T431 S432 E436 T437 L438	Q187-Y434 HydrophobicContact CB-CD1 4.1Å; Q187-Y434 HydrophobicContact CB-CD2 4.35Å; Q187-Y434 HydrophobicContact CB-CE1 3.73Å; Q187-Y434 HydrophobicContact CB-CE2 4.01Å; Q187-Y434 HydrophobicContact CB-CG 4.38Å; Q187-Y434 HydrophobicContact CG-CD1 3.62Å; Q187-Y434 HydrophobicContact CG-CD2 4.38Å; Q187-Y434 HydrophobicContact CG-CE1 3.73Å; Q187-Y434 HydrophobicContact CG-CE2 4.48Å; Q187-Y434 HydrophobicContact CG-CG 3.95Å; F190-Y434 HydrophobicContact CB-CD2 3.85Å; F190-Y434 HydrophobicContact CD1-CD2 4.08Å; F190-Y434 HydrophobicContact CD1-CG 4.47Å; F190-Y434 HydrophobicContact CG-CD2 4.08Å; Q213-Y434 VanDerWaalsContact NE2-CD2 3.3Å; P430-Y434 PolarHBondContact O-N 3.19Å; P430-Y434 VanDerWaalsContact O-N 3.14Å; T431-Y434 PolarHBondContact O-N 3.01Å; S432-Y434 VanDerWaalsContact C-N 3.34Å; S432-Y434 PolarHBondContact O-N 2.86Å; Y434-E436 VanDerWaalsContact C-N 3.28Å; Y434-E436 PolarHBondContact O-N 3.25Å; Y434-T437 PolarHBondContact O-N 2.73Å; Y434-T437 PolarHBondContact O-OG1 2.87Å; Y434-L438 HydrophobicContact CD1-CD1 4.39Å; Y434-L438 HydrophobicContact CE1-CD1 3.66Å; Y434-L438 HydrophobicContact CE1-CG 4.46Å; Y434-L438 HydrophobicContact CE2-CD1 4.46Å; Y434-L438 PolarHBondContact O-N 2.85Å
435	F	89.5	Confident	87	Confident	103 Å²	103	53 Å²	53	45%	0.452	26%	0.262	S	S	.	.	H	α-helix	trans	-65	-31.9	179.7	-75.5	-63.9	0	0	0	112.7	T431 S432 T437 L438 Q439	T431-F435 HydrophobicContact CG2-CD2 3.81Å; T431-F435 HydrophobicContact CG2-CE2 3.54Å; T431-F435 WeakPolarHBondContact O-CD2 3.22Å; T431-F435 PolarHBondContact O-N 3.42Å; T431-F435 VanDerWaalsContact O-N 3.12Å; S432-F435 PolarHBondContact O-N 3.39Å; F435-T437 VanDerWaalsContact C-N 3.35Å; F435-T437 PolarHBondContact O-N 3.01Å; F435-L438 HydrophobicContact CD1-CD1 4.21Å; F435-L438 PolarHBondContact O-N 2.88Å; F435-Q439 WeakPolarHBondContact O-CG 3.22Å; F435-Q439 PolarHBondContact O-N 2.96Å
436	E	86.2	Confident	86.1	Confident	79 Å²	79	57.8 Å²	57.8	37%	0.369	28%	0.284	S	S	.	.	H	α-helix	trans	-60.3	-43.8	174.5	-173.4	-179.7	137.7	0	0	111.8	S432 E433 Y434 L438 Q439 K440	S432-E436 PolarHBondContact O-N 3.22Å; E433-E436 PolarHBondContact O-N 2.83Å; Y434-E436 VanDerWaalsContact C-N 3.28Å; Y434-E436 PolarHBondContact O-N 3.25Å; E436-L438 VanDerWaalsContact C-N 3.3Å; E436-L438 PolarHBondContact O-N 3.24Å; E436-Q439 PolarHBondContact O-N 3.46Å; E436-K440 HydrophobicContact CG-CD 4.31Å; E436-K440 WeakPolarHBondContact O-CG 3.37Å; E436-K440 PolarHBondContact O-N 3.45Å; E436-K440 WeakPolarHBondContact OE1-CE 3.35Å; E436-K440 IonicContact OE1-NZ 3.88Å; E436-K440 PolarHBondContact OE1-NZ 2.95Å
437	T	90.9	Very high	85.1	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.9	-38	176.5	63.9	0	0	0	0	112.5	F190 Q213 A420 A422 E433 Y434 F435 K440 A441	F190-T437 HydrophobicContact CE1-CG2 4.13Å; F190-T437 HydrophobicContact CE2-CG2 4.27Å; F190-T437 HydrophobicContact CZ-CG2 3.61Å; Q213-T437 PolarHBondContact NE2-OG1 3.04Å; A420-T437 VanDerWaalsContact CB-O 3.23Å; A420-T437 WeakPolarHBondContact CB-O 3.22Å; A422-T437 HydrophobicContact CB-CG2 3.72Å; E433-T437 WeakPolarHBondContact O-CG2 3.49Å; E433-T437 PolarHBondContact O-N 3Å; Y434-T437 PolarHBondContact O-N 2.73Å; Y434-T437 PolarHBondContact O-OG1 2.87Å; F435-T437 VanDerWaalsContact C-N 3.35Å; F435-T437 PolarHBondContact O-N 3.01Å; T437-K440 PolarHBondContact O-N 3.07Å; T437-A441 PolarHBondContact O-N 3.49Å
438	L	89.6	Confident	83.8	Confident	39 Å²	39	52.4 Å²	52.4	20%	0.204	27%	0.265	C	S	.	.	H	α-helix	trans	-66.2	-41.3	175.2	-62.2	-176.8	0	0	0	111.7	L215 Y434 F435 E436 A441 K442	L215-L438 HydrophobicContact CD2-CD2 3.83Å; Y434-L438 HydrophobicContact CD1-CD1 4.39Å; Y434-L438 HydrophobicContact CE1-CD1 3.66Å; Y434-L438 HydrophobicContact CE1-CG 4.46Å; Y434-L438 HydrophobicContact CE2-CD1 4.46Å; Y434-L438 PolarHBondContact O-N 2.85Å; F435-L438 HydrophobicContact CD1-CD1 4.21Å; F435-L438 PolarHBondContact O-N 2.88Å; E436-L438 VanDerWaalsContact C-N 3.3Å; E436-L438 PolarHBondContact O-N 3.24Å; L438-A441 CarbonylContact O-C 3.6Å; L438-A441 PolarHBondContact O-N 2.97Å; L438-K442 WeakPolarHBondContact O-CB 3.47Å; L438-K442 PolarHBondContact O-N 3.37Å
439	Q	80.6	Confident	82.4	Confident	125 Å²	125	55.2 Å²	55.2	58%	0.584	28%	0.284	S	S	*	.	H	α-helix	trans	-65.2	-38.9	176.8	-68.9	-69.2	17.6	0	0	112.3	F435 E436 A441 K442	F435-Q439 WeakPolarHBondContact O-CG 3.22Å; F435-Q439 PolarHBondContact O-N 2.96Å; E436-Q439 PolarHBondContact O-N 3.46Å; Q439-A441 VanDerWaalsContact C-N 3.33Å; Q439-A441 PolarHBondContact O-N 3Å; Q439-K442 VanDerWaalsContact O-CB 3.32Å; Q439-K442 WeakPolarHBondContact O-CB 3.41Å; Q439-K442 PolarHBondContact O-N 3.09Å; Q439-K442 VanDerWaalsContact OE1-CD 3.27Å
440	K	84.6	Confident	80.7	Confident	84 Å²	84	56.5 Å²	56.5	37%	0.365	29%	0.287	S	S	.	.	H	α-helix	trans	-63.2	-39	173.3	-76.5	170.4	171.1	167.9	0	112	A420 G421 E436 T437	A420-K440 HydrophobicContact CB-CB 4.01Å; G421-K440 WeakPolarHBondContact O-CD 3.34Å; G421-K440 PolarHBondContact O-NZ 3.4Å; E436-K440 HydrophobicContact CG-CD 4.31Å; E436-K440 WeakPolarHBondContact O-CG 3.37Å; E436-K440 PolarHBondContact O-N 3.45Å; E436-K440 WeakPolarHBondContact OE1-CE 3.35Å; E436-K440 IonicContact OE1-NZ 3.88Å; E436-K440 PolarHBondContact OE1-NZ 2.95Å; T437-K440 PolarHBondContact O-N 3.07Å
441	A	86.8	Confident	79.1	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.008	31%	0.314	C	S	.	.	H	α-helix	trans	-72.2	-30.7	174.8	0	0	0	0	0	112.7	L215 V418 A420 T437 L438 Q439 A443 L444 M445	L215-A441 HydrophobicContact CD1-CB 3.82Å; V418-A441 HydrophobicContact CG1-CB 3.94Å; A420-A441 HydrophobicContact CB-CB 4.15Å; T437-A441 PolarHBondContact O-N 3.49Å; L438-A441 CarbonylContact O-C 3.6Å; L438-A441 PolarHBondContact O-N 2.97Å; Q439-A441 VanDerWaalsContact C-N 3.33Å; Q439-A441 PolarHBondContact O-N 3Å; A441-A443 PolarHBondContact O-N 2.98Å; A441-A443 VanDerWaalsContact O-N 3.17Å; A441-L444 WeakPolarHBondContact O-CA 3.41Å; A441-L444 WeakPolarHBondContact O-CB 3.38Å; A441-L444 PolarHBondContact O-N 3.28Å; A441-M445 HydrophobicContact CB-CE 3.94Å; A441-M445 HydrophobicContact CB-SD 4.33Å; A441-M445 WeakPolarHBondContact O-CG 3.15Å; A441-M445 PolarHBondContact O-N 2.96Å; A441-M445 VanDerWaalsContact O-N 3.15Å
442	K	80.7	Confident	77.6	Confident	78 Å²	78	63.1 Å²	63.1	34%	0.339	32%	0.322	S	S	.	.	H	α-helix	trans	-54.6	-37.9	-175.1	-170.7	179.8	-177.6	177.9	0	113.4	L438 Q439 L444 M445 E446	L438-K442 WeakPolarHBondContact O-CB 3.47Å; L438-K442 PolarHBondContact O-N 3.37Å; Q439-K442 VanDerWaalsContact O-CB 3.32Å; Q439-K442 WeakPolarHBondContact O-CB 3.41Å; Q439-K442 PolarHBondContact O-N 3.09Å; Q439-K442 VanDerWaalsContact OE1-CD 3.27Å; K442-L444 PolarHBondContact O-N 3.23Å; K442-L444 VanDerWaalsContact O-N 3.1Å; K442-M445 HydrophobicContact CB-CE 4.23Å; K442-M445 PolarHBondContact O-N 3.37Å; K442-E446 WeakPolarHBondContact CE-OE1 3.29Å; K442-E446 WeakPolarHBondContact CE-OE2 3.47Å; K442-E446 HydrophobicContact CG-CG 4.34Å; K442-E446 IonicContact NZ-OE1 3.12Å; K442-E446 IonicContact NZ-OE2 2.75Å; K442-E446 PolarHBondContact NZ-OE2 3.09Å; K442-E446 PolarHBondContact O-N 3.32Å
443	A	74.4	Confident	76.6	Confident	25 Å²	25	66.4 Å²	66.4	21%	0.207	33%	0.327	C	S	.	.	H	α-helix	trans	-57.7	-24.5	176.4	0	0	0	0	0	113.5	N234 A441	N234-A443 PolarHBondContact ND2-O 3.06Å; A441-A443 PolarHBondContact O-N 2.98Å; A441-A443 VanDerWaalsContact O-N 3.17Å
444	L	80.9	Confident	75.6	Confident	3 Å²	3	72 Å²	72	2%	0.016	36%	0.356	C	S	.	.	H	α-helix	trans	-95.5	-26.8	173.2	-63	171.3	0	0	0	112.5	Y226 L230 V418 A441 K442	Y226-L444 WeakPolarHBondContact OH-CA 3.12Å; Y226-L444 WeakPolarHBondContact OH-CB 2.77Å; Y226-L444 PolarHBondContact OH-O 3.43Å; L230-L444 HydrophobicContact CD1-CD2 3.69Å; L230-L444 HydrophobicContact CD2-CD2 3.92Å; L230-L444 HydrophobicContact CG-CD2 4.48Å; V418-L444 HydrophobicContact CB-CD1 4.31Å; V418-L444 HydrophobicContact CG1-CB 4.2Å; V418-L444 HydrophobicContact CG1-CD1 3.42Å; V418-L444 VanDerWaalsContact CG1-CD1 3.42Å; V418-L444 HydrophobicContact CG1-CG 4.44Å; V418-L444 HydrophobicContact CG2-CB 4.02Å; V418-L444 HydrophobicContact CG2-CD1 3.94Å; A441-L444 WeakPolarHBondContact O-CA 3.41Å; A441-L444 WeakPolarHBondContact O-CB 3.38Å; A441-L444 PolarHBondContact O-N 3.28Å; K442-L444 PolarHBondContact O-N 3.23Å; K442-L444 VanDerWaalsContact O-N 3.1Å
445	M	79.6	Confident	74.3	Confident	41 Å²	41	73.1 Å²	73.1	20%	0.202	36%	0.364	C	S	.	.	H	α-helix	trans	-81.8	-36.2	-176.8	-59.3	-172.9	-66.7	0	0	113.1	F181 L215 A441 K442	F181-M445 HydrophobicContact CB-CG 4.5Å; F181-M445 HydrophobicContact CB-SD 3.68Å; F181-M445 HydrophobicContact CD1-CG 4.46Å; F181-M445 HydrophobicContact CD1-SD 4.44Å; F181-M445 HydrophobicContact CD2-CB 3.76Å; F181-M445 HydrophobicContact CD2-CG 3.44Å; F181-M445 VanDerWaalsContact CD2-CG 3.44Å; F181-M445 HydrophobicContact CD2-SD 3.76Å; F181-M445 HydrophobicContact CE2-CB 3.86Å; F181-M445 HydrophobicContact CE2-CG 3.64Å; F181-M445 HydrophobicContact CG-CG 3.88Å; F181-M445 HydrophobicContact CG-SD 3.7Å; F181-M445 HydrophobicContact CZ-CG 4.26Å; L215-M445 HydrophobicContact CD2-CE 4.38Å; L215-M445 HydrophobicContact CD2-SD 3.8Å; A441-M445 HydrophobicContact CB-CE 3.94Å; A441-M445 HydrophobicContact CB-SD 4.33Å; A441-M445 WeakPolarHBondContact O-CG 3.15Å; A441-M445 PolarHBondContact O-N 2.96Å; A441-M445 VanDerWaalsContact O-N 3.15Å; K442-M445 HydrophobicContact CB-CE 4.23Å; K442-M445 PolarHBondContact O-N 3.37Å
446	E	70.5	Confident	73	Confident	126 Å²	126	76.3 Å²	76.3	59%	0.589	37%	0.373	S	S	*	.			trans	-112.6	82.4	-175.3	-69.7	-179.6	-160.6	0	0	111.1	K442	K442-E446 WeakPolarHBondContact CE-OE1 3.29Å; K442-E446 WeakPolarHBondContact CE-OE2 3.47Å; K442-E446 HydrophobicContact CG-CG 4.34Å; K442-E446 IonicContact NZ-OE1 3.12Å; K442-E446 IonicContact NZ-OE2 2.75Å; K442-E446 PolarHBondContact NZ-OE2 3.09Å; K442-E446 PolarHBondContact O-N 3.32Å
447	L	67	Low	72.2	Confident	25 Å²	25	79.5 Å²	79.5	13%	0.131	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-91.7	119.8	171	-63.7	178.8	0	0	0	110.4	Y226 Q229 L230 N233	Y226-L447 HydrophobicContact CD1-CD1 4.43Å; Y226-L447 HydrophobicContact CD2-CD1 3.65Å; Y226-L447 HydrophobicContact CE1-CD1 4.17Å; Y226-L447 HydrophobicContact CE2-CD1 3.32Å; Y226-L447 HydrophobicContact CE2-CG 4.18Å; Y226-L447 HydrophobicContact CG-CD1 4.17Å; Q229-L447 HydrophobicContact CB-CD1 4.04Å; Q229-L447 HydrophobicContact CG-CB 3.85Å; Q229-L447 HydrophobicContact CG-CD1 4.13Å; Q229-L447 HydrophobicContact CG-CG 4.5Å; Q229-L447 PolarHBondContact NE2-O 3.2Å; L230-L447 HydrophobicContact CB-CD1 4.33Å; L230-L447 HydrophobicContact CD1-CD2 4.17Å; N233-L447 HydrophobicContact CB-CD2 3.93Å; N233-L447 WeakPolarHBondContact ND2-CA 3.45Å
448	L	59.5	Low	71.2	Confident	93 Å²	93	84.2 Å²	84.2	49%	0.487	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-71.9	135.8	175.4	-67.5	174.2	0	0	0	110.7	Q229 N233 I454	Q229-L448 PolarHBondContact NE2-O 2.72Å; N233-L448 PolarHBondContact ND2-N 2.91Å; N233-L448 PolarHBondContact ND2-O 3.48Å; L448-I454 HydrophobicContact CD1-CD1 4.22Å
449	P	59.1	Low	70.4	Confident	62 Å²	62	84.6 Å²	84.6	40%	0.403	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-59.1	146.3	174	-24.4	34.7	0	0	0	112.6	N451 V452	P449-N451 WeakPolarHBondContact CB-OD1 3.42Å; P449-N451 PolarHBondContact O-N 2.98Å; P449-V452 HydrophobicContact CB-CG2 4.3Å; P449-V452 HydrophobicContact CG-CG2 4.44Å; P449-V452 PolarHBondContact O-N 3.34Å; P449-V452 VanDerWaalsContact O-N 3.09Å
450	E	53.6	Low	70.3	Confident	108 Å²	108	84.8 Å²	84.8	51%	0.505	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.4	-176.3	-161.8	177	-147.5	0	0	113.5	L174 Q232	L174-E450 HydrophobicContact CD1-CB 4.31Å; Q232-E450 PolarHBondContact NE2-OE1 3.23Å; Q232-E450 PolarHBondContact OE1-OE1 3.4Å
451	N	61	Low	70.1	Confident	133 Å²	133	86.4 Å²	86.4	71%	0.711	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-3.9	-178.6	63.4	-18.1	0	0	0	114.6	P449	P449-N451 WeakPolarHBondContact CB-OD1 3.42Å; P449-N451 PolarHBondContact O-N 2.98Å
452	V	62.6	Low	69.6	Low	76 Å²	76	88.4 Å²	88.4	46%	0.461	45%	0.451	S	S	.	.			trans	-93.3	109.6	178.4	-179.4	0	0	0	0	109.7	P449 I454	P449-V452 HydrophobicContact CB-CG2 4.3Å; P449-V452 HydrophobicContact CG-CG2 4.44Å; P449-V452 PolarHBondContact O-N 3.34Å; P449-V452 VanDerWaalsContact O-N 3.09Å; V452-I454 HydrophobicContact CG1-CG1 4.3Å
453	K	66.8	Low	69.4	Low	142 Å²	142	92.6 Å²	92.6	62%	0.617	47%	0.47	S	S	*	.			trans	-100.5	121.2	169.8	-72.2	-167.7	173.8	-167.6	0	110.3	I465	K453-I465 HydrophobicContact CD-CD1 4.19Å; K453-I465 HydrophobicContact CD-CG2 3.99Å
454	I	69.6	Low	69.8	Low	139 Å²	139	93.8 Å²	93.8	71%	0.713	48%	0.48	S	S	*	.			trans	-96.7	114.5	172.7	-56.4	177.5	0	0	0	107.6	L448 V452	L448-I454 HydrophobicContact CD1-CD1 4.22Å; V452-I454 HydrophobicContact CG1-CG1 4.3Å
455	L	66.3	Low	69.6	Low	53 Å²	53	95.2 Å²	95.2	28%	0.277	49%	0.487	S	S	.	.			trans	-119.1	146.9	179.1	-56.8	175	0	0	0	109.6	D459 L462 I465	L455-D459 HydrophobicContact CB-CB 4.15Å; L455-L462 HydrophobicContact CB-CD1 4.14Å; L455-L462 HydrophobicContact CD1-CD1 4.17Å; L455-I465 HydrophobicContact CD1-CB 3.72Å; L455-I465 HydrophobicContact CD1-CD1 3.47Å; L455-I465 VanDerWaalsContact CD1-CD1 3.47Å; L455-I465 HydrophobicContact CD1-CG1 4.15Å; L455-I465 HydrophobicContact CD1-CG2 3.76Å; L455-I465 HydrophobicContact CD2-CD1 3.9Å; L455-I465 HydrophobicContact CG-CD1 4.29Å
456	R	63.8	Low	69.4	Low	171 Å²	171	94.7 Å²	94.7	65%	0.645	49%	0.489	S	S	*	.			trans	-76.4	156.7	167.5	-67.8	175	51.5	136.3	-0.3	109.9	D458 D459	R456-D458 WeakPolarHBondContact CB-OD1 3.5Å; R456-D458 IonicContact CZ-OD1 2.84Å; R456-D458 IonicContact CZ-OD2 3.89Å; R456-D458 IonicContact NE-OD1 2.78Å; R456-D458 PolarHBondContact NE-OD1 3.46Å; R456-D458 IonicContact NE-OD2 3.68Å; R456-D458 IonicContact NH2-OD1 2.66Å; R456-D458 IonicContact NH2-OD2 3.15Å; R456-D458 PolarHBondContact NH2-OD2 3.39Å; R456-D458 PolarHBondContact O-N 2.99Å; R456-D459 WeakPolarHBondContact O-CB 3.43Å; R456-D459 PolarHBondContact O-N 2.89Å
457	N	69.2	Low	69.8	Low	145 Å²	145	96.8 Å²	96.8	78%	0.775	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-11.5	178.4	66.5	-27.1	0	0	0	113.7
458	D	69	Low	70.3	Confident	99 Å²	99	104 Å²	104	53%	0.529	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	5	173.5	57.5	0.1	0	0	0	113.2	R456	R456-D458 WeakPolarHBondContact CB-OD1 3.5Å; R456-D458 IonicContact CZ-OD1 2.84Å; R456-D458 IonicContact CZ-OD2 3.89Å; R456-D458 IonicContact NE-OD1 2.78Å; R456-D458 PolarHBondContact NE-OD1 3.46Å; R456-D458 IonicContact NE-OD2 3.68Å; R456-D458 IonicContact NH2-OD1 2.66Å; R456-D458 IonicContact NH2-OD2 3.15Å; R456-D458 PolarHBondContact NH2-OD2 3.39Å; R456-D458 PolarHBondContact O-N 2.99Å
459	D	73.1	Confident	71	Confident	48 Å²	48	101.8 Å²	101.8	26%	0.257	52%	0.524	S	S	.	.			trans	-65.2	124.4	178.7	-165.4	-59.9	0	0	0	110.4	L455 R456 E461 L462	L455-D459 HydrophobicContact CB-CB 4.15Å; R456-D459 WeakPolarHBondContact O-CB 3.43Å; R456-D459 PolarHBondContact O-N 2.89Å; D459-E461 PolarHBondContact O-N 2.89Å; D459-E461 VanDerWaalsContact O-N 3.13Å; D459-E461 WeakPolarHBondContact OD1-CA 3.29Å; D459-E461 WeakPolarHBondContact OD1-CB 3.34Å; D459-E461 PolarHBondContact OD1-N 2.96Å; D459-L462 HydrophobicContact CB-CB 4.31Å; D459-L462 WeakPolarHBondContact O-CB 3.42Å; D459-L462 PolarHBondContact O-N 3.23Å
460	P	79	Confident	71.7	Confident	128 Å²	128	105.1 Å²	105.1	83%	0.831	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-20	-178.9	24.6	-33.2	0	0	0	113.1
461	E	79.1	Confident	72	Confident	118 Å²	118	103.9 Å²	103.9	55%	0.551	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-2.9	175.7	-56.7	-162	148.2	0	0	113.5	D459 F463 A464 I465	D459-E461 PolarHBondContact O-N 2.89Å; D459-E461 VanDerWaalsContact O-N 3.13Å; D459-E461 WeakPolarHBondContact OD1-CA 3.29Å; D459-E461 WeakPolarHBondContact OD1-CB 3.34Å; D459-E461 PolarHBondContact OD1-N 2.96Å; E461-F463 PolarHBondContact O-N 3.4Å; E461-A464 PolarHBondContact O-N 3.08Å; E461-A464 VanDerWaalsContact O-N 3.08Å; E461-I465 HydrophobicContact CB-CD1 3.66Å; E461-I465 HydrophobicContact CB-CG1 4.12Å; E461-I465 WeakPolarHBondContact O-CG1 3.49Å; E461-I465 PolarHBondContact O-N 3.19Å
462	L	76.5	Confident	72.3	Confident	44 Å²	44	101.9 Å²	101.9	23%	0.23	55%	0.545	C	S	.	.	H	α-helix	trans	-49.1	-54.6	-172.7	178.6	69.1	0	0	0	112.9	L455 D459 I465 A466	L455-L462 HydrophobicContact CB-CD1 4.14Å; L455-L462 HydrophobicContact CD1-CD1 4.17Å; D459-L462 HydrophobicContact CB-CB 4.31Å; D459-L462 WeakPolarHBondContact O-CB 3.42Å; D459-L462 PolarHBondContact O-N 3.23Å; L462-I465 PolarHBondContact O-N 2.93Å; L462-A466 WeakPolarHBondContact O-CB 3.31Å; L462-A466 PolarHBondContact O-N 3.42Å
463	F	77.9	Confident	72.1	Confident	166 Å²	166	105.2 Å²	105.2	73%	0.728	57%	0.566	S	S	*	*	H	α-helix	trans	-65.8	-40.9	-178.1	-69.1	-75.1	0	0	0	112.1	E461 I465 A466 E467	E461-F463 PolarHBondContact O-N 3.4Å; F463-I465 VanDerWaalsContact C-N 3.31Å; F463-I465 PolarHBondContact O-N 3.38Å; F463-A466 PolarHBondContact O-N 3.34Å; F463-E467 WeakPolarHBondContact O-CG 3.39Å; F463-E467 PolarHBondContact O-N 3.47Å
464	A	81.4	Confident	71.7	Confident	50 Å²	50	104.7 Å²	104.7	41%	0.413	57%	0.569	S	S	.	*	H	α-helix	trans	-67.9	-31.3	179.8	0	0	0	0	0	112.7	E461	E461-A464 PolarHBondContact O-N 3.08Å; E461-A464 VanDerWaalsContact O-N 3.08Å
465	I	76.4	Confident	70.8	Confident	32 Å²	32	104.1 Å²	104.1	16%	0.164	58%	0.577	C	S	.	*	H	α-helix	trans	-79.6	-42.3	174.6	-66.6	170.5	0	0	0	110.3	K453 L455 E461 L462 F463 E467 K468 A469	K453-I465 HydrophobicContact CD-CD1 4.19Å; K453-I465 HydrophobicContact CD-CG2 3.99Å; L455-I465 HydrophobicContact CD1-CB 3.72Å; L455-I465 HydrophobicContact CD1-CD1 3.47Å; L455-I465 VanDerWaalsContact CD1-CD1 3.47Å; L455-I465 HydrophobicContact CD1-CG1 4.15Å; L455-I465 HydrophobicContact CD1-CG2 3.76Å; L455-I465 HydrophobicContact CD2-CD1 3.9Å; L455-I465 HydrophobicContact CG-CD1 4.29Å; E461-I465 HydrophobicContact CB-CD1 3.66Å; E461-I465 HydrophobicContact CB-CG1 4.12Å; E461-I465 WeakPolarHBondContact O-CG1 3.49Å; E461-I465 PolarHBondContact O-N 3.19Å; L462-I465 PolarHBondContact O-N 2.93Å; F463-I465 VanDerWaalsContact C-N 3.31Å; F463-I465 PolarHBondContact O-N 3.38Å; I465-E467 PolarHBondContact O-N 3.31Å; I465-K468 PolarHBondContact O-N 2.9Å; I465-K468 VanDerWaalsContact O-N 3.1Å; I465-A469 PolarHBondContact O-N 2.88Å
466	A	76.3	Confident	70.2	Confident	30 Å²	30	105.2 Å²	105.2	25%	0.248	59%	0.587	C	S	.	*	H	α-helix	trans	-58.8	-42.5	177.3	0	0	0	0	0	112.5	L462 F463 K468 A469 I472	L462-A466 WeakPolarHBondContact O-CB 3.31Å; L462-A466 PolarHBondContact O-N 3.42Å; F463-A466 PolarHBondContact O-N 3.34Å; A466-K468 PolarHBondContact O-N 3.2Å; A466-K468 VanDerWaalsContact O-N 3.14Å; A466-A469 PolarHBondContact O-N 2.7Å; A466-A469 VanDerWaalsContact O-N 3.16Å; A466-I472 HydrophobicContact CB-CD1 3.9Å
467	E	78.6	Confident	69.3	Low	171 Å²	171	99.6 Å²	99.6	80%	0.799	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-25	176	-81.9	-175.6	167.3	0	0	114	F463 I465	F463-E467 WeakPolarHBondContact O-CG 3.39Å; F463-E467 PolarHBondContact O-N 3.47Å; I465-E467 PolarHBondContact O-N 3.31Å
468	K	78.9	Confident	67.7	Low	177 Å²	177	98.9 Å²	98.9	77%	0.77	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	-6.9	-177.4	-63	174	-174	169.7	0	113	I465 A466	I465-K468 PolarHBondContact O-N 2.9Å; I465-K468 VanDerWaalsContact O-N 3.1Å; A466-K468 PolarHBondContact O-N 3.2Å; A466-K468 VanDerWaalsContact O-N 3.14Å
469	A	73.4	Confident	66.6	Low	45 Å²	45	96.3 Å²	96.3	37%	0.372	58%	0.583	S	S	.	*			trans	-77.1	135.6	-175.2	0	0	0	0	0	110.9	I465 A466 A471 I472	I465-A469 PolarHBondContact O-N 2.88Å; A466-A469 PolarHBondContact O-N 2.7Å; A466-A469 VanDerWaalsContact O-N 3.16Å; A469-A471 VanDerWaalsContact C-N 3.3Å; A469-I472 HydrophobicContact CB-CG1 3.76Å
470	S	74.5	Confident	65.7	Low	132 Å²	132	101.8 Å²	101.8	92%	0.923	60%	0.6	S	S	*	*	S	Bend	trans	-74.4	-23.8	172	51.6	0	0	0	0	112.6
471	A	58.4	Low	64.6	Low	83 Å²	83	98 Å²	98	69%	0.686	58%	0.575	S	S	*	*	S	Bend	trans	-147.7	143	172.3	0	0	0	0	0	109	A469	A469-A471 VanDerWaalsContact C-N 3.3Å
472	I	67.1	Low	63.5	Low	90 Å²	90	97 Å²	97	46%	0.462	59%	0.587	S	S	.	*			trans	-123.4	125.2	176.3	-54.8	169.1	0	0	0	107.2	A466 A469 L474	A466-I472 HydrophobicContact CB-CD1 3.9Å; A469-I472 HydrophobicContact CB-CG1 3.76Å; I472-L474 HydrophobicContact CG2-CD2 3.51Å; I472-L474 HydrophobicContact CG2-CG 3.69Å
473	V	58.8	Low	62.4	Low	147 Å²	147	101.2 Å²	101.2	89%	0.891	61%	0.606	S	S	*	*			trans	-96	106.5	166.1	-178.6	0	0	0	0	106.9
474	L	59	Low	60.6	Low	130 Å²	130	97.2 Å²	97.2	68%	0.681	60%	0.603	S	S	*	*			trans	-92.8	130.7	174.9	-63.7	173.5	0	0	0	108.8	I472 P476	I472-L474 HydrophobicContact CG2-CD2 3.51Å; I472-L474 HydrophobicContact CG2-CG 3.69Å; L474-P476 HydrophobicContact CB-CG 4.1Å; L474-P476 WeakPolarHBondContact O-CD 3.45Å
475	S	50.7	Low	58.6	Low	127 Å²	127	95.8 Å²	95.8	89%	0.888	59%	0.593	S	S	*	*			trans	-109.7	88.1	169.2	176.1	0	0	0	0	108.6
476	P	53.2	Low	57.2	Low	76 Å²	76	98 Å²	98	49%	0.494	61%	0.605	S	S	.	*			trans	-108.3	162.5	-163.5	24.7	-2.8	0	0	0	113.4	L474 I486	L474-P476 HydrophobicContact CB-CG 4.1Å; L474-P476 WeakPolarHBondContact O-CD 3.45Å; P476-I486 HydrophobicContact CB-CD1 3.33Å; P476-I486 HydrophobicContact CG-CD1 3.63Å; P476-I486 HydrophobicContact CG-CG2 4.5Å; P476-I486 WeakPolarHBondContact O-CD1 3.45Å; P476-I486 WeakPolarHBondContact O-CG1 3.35Å; P476-I486 WeakPolarHBondContact O-CG2 3.45Å
477	G	44.4	Very low	56	Low	54 Å²	54	100.6 Å²	100.6	56%	0.557	62%	0.62	S	S	*	*			trans	-105.5	161.8	-178	0	0	0	0	0	116.7	I486	G477-I486 VanDerWaalsContact C-CD1 3.5Å; G477-I486 WeakPolarHBondContact O-CD1 3.46Å; G477-I486 WeakPolarHBondContact O-CG1 3.11Å
478	P	36.1	Very low	55.2	Low	130 Å²	130	93.6 Å²	93.6	84%	0.844	59%	0.588	S	S	*	*			trans	-55.3	152.9	-154.8	21.4	-35.3	0	0	0	121.6
479	G	45.7	Very low	54.9	Low	44 Å²	44	87.3 Å²	87.3	45%	0.454	57%	0.574	S	S	.	*			trans	165.4	-171.9	177.1	0	0	0	0	0	118.9	A484 G485	G479-A484 WeakPolarHBondContact CA-O 3.48Å; G479-G485 VanDerWaalsContact CA-CA 3.41Å; G479-G485 CarbonylContact O-C 3.37Å; G479-G485 WeakPolarHBondContact O-CA 3.45Å
480	R	54.3	Low	55.4	Low	164 Å²	164	85.4 Å²	85.4	62%	0.619	56%	0.557	S	S	*	*			trans	-97.8	165.8	177.7	-88.4	-179	163	164.4	-1.9	114	A482 E483 A484 G485	R480-A482 PolarHBondContact O-N 3Å; R480-E483 HydrophobicContact CB-CB 4Å; R480-E483 HydrophobicContact CB-CG 4.2Å; R480-E483 WeakPolarHBondContact CD-OE2 3.41Å; R480-E483 CarbonylContact O-C 3.55Å; R480-E483 PolarHBondContact O-N 3.44Å; R480-A484 CarbonylContact O-C 3.33Å; R480-A484 WeakPolarHBondContact O-CA 3.33Å; R480-A484 PolarHBondContact O-N 3.46Å; R480-G485 PolarHBondContact O-N 3.17Å; R480-G485 VanDerWaalsContact O-N 3.1Å
481	P	55	Low	56	Low	48 Å²	48	79.3 Å²	79.3	31%	0.312	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-63.6	-40.5	-178.2	-15	30.9	0	0	0	112.2	E483 L488 A492	P481-E483 VanDerWaalsContact C-N 3.28Å; P481-E483 PolarHBondContact O-N 2.58Å; P481-L488 HydrophobicContact CG-CB 3.81Å; P481-L488 HydrophobicContact CG-CD1 3.39Å; P481-L488 HydrophobicContact CG-CG 4.15Å; P481-A492 HydrophobicContact CB-CB 4.41Å
482	A	56.6	Low	57.1	Low	96 Å²	96	77 Å²	77	79%	0.793	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-75.6	-12.1	174.7	0	0	0	0	0	113.9	R480	R480-A482 PolarHBondContact O-N 3Å
483	E	52.9	Low	58	Low	134 Å²	134	74 Å²	74	63%	0.626	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-125	16.7	-172.2	-57	170.6	168.1	0	0	112.2	R480 P481	R480-E483 HydrophobicContact CB-CB 4Å; R480-E483 HydrophobicContact CB-CG 4.2Å; R480-E483 WeakPolarHBondContact CD-OE2 3.41Å; R480-E483 CarbonylContact O-C 3.55Å; R480-E483 PolarHBondContact O-N 3.44Å; P481-E483 VanDerWaalsContact C-N 3.28Å; P481-E483 PolarHBondContact O-N 2.58Å
484	A	39.9	Very low	59.4	Low	82 Å²	82	67 Å²	67	68%	0.678	44%	0.437	S	S	*	.			trans	53.1	99.7	-171.4	0	0	0	0	0	114.3	G479 R480	G479-A484 WeakPolarHBondContact CA-O 3.48Å; R480-A484 CarbonylContact O-C 3.33Å; R480-A484 WeakPolarHBondContact O-CA 3.33Å; R480-A484 PolarHBondContact O-N 3.46Å
485	G	39.6	Very low	60.7	Low	19 Å²	19	65.9 Å²	65.9	20%	0.196	43%	0.428	C	S	.	.			trans	-164.3	169.3	162.3	0	0	0	0	0	117.7	G479 R480 C487	G479-G485 VanDerWaalsContact CA-CA 3.41Å; G479-G485 CarbonylContact O-C 3.37Å; G479-G485 WeakPolarHBondContact O-CA 3.45Å; R480-G485 PolarHBondContact O-N 3.17Å; R480-G485 VanDerWaalsContact O-N 3.1Å; G485-C487 PolarHBondContact O-N 3.29Å
486	I	47.5	Very low	62.4	Low	80 Å²	80	65.4 Å²	65.4	41%	0.41	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-14.3	-138	-45	-56.9	0	0	0	114.2	P476 G477	P476-I486 HydrophobicContact CB-CD1 3.33Å; P476-I486 HydrophobicContact CG-CD1 3.63Å; P476-I486 HydrophobicContact CG-CG2 4.5Å; P476-I486 WeakPolarHBondContact O-CD1 3.45Å; P476-I486 WeakPolarHBondContact O-CG1 3.35Å; P476-I486 WeakPolarHBondContact O-CG2 3.45Å; G477-I486 VanDerWaalsContact C-CD1 3.5Å; G477-I486 WeakPolarHBondContact O-CD1 3.46Å; G477-I486 WeakPolarHBondContact O-CG1 3.11Å
487	C	52.4	Low	64.1	Low	84 Å²	84	64.3 Å²	64.3	57%	0.568	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	11.3	-171.5	-129.6	0	0	0	0	113.9	G485	G485-C487 PolarHBondContact O-N 3.29Å
488	L	60.3	Low	66.2	Low	23 Å²	23	64.9 Å²	64.9	12%	0.12	41%	0.413	C	S	.	.			trans	-131.2	19.4	-168.3	-64.9	168.8	0	0	0	115.2	P481 H490 Q491 A492 L529	P481-L488 HydrophobicContact CG-CB 3.81Å; P481-L488 HydrophobicContact CG-CD1 3.39Å; P481-L488 HydrophobicContact CG-CG 4.15Å; L488-H490 VanDerWaalsContact C-N 3.29Å; L488-H490 PolarHBondContact O-N 3.15Å; L488-Q491 VanDerWaalsContact C-OE1 3.3Å; L488-Q491 HydrophobicContact CB-CB 4.45Å; L488-Q491 HydrophobicContact CD2-CB 4.29Å; L488-Q491 VanDerWaalsContact CD2-CD 3.42Å; L488-Q491 HydrophobicContact CD2-CG 4.01Å; L488-Q491 PolarHBondContact O-N 2.66Å; L488-Q491 VanDerWaalsContact O-N 3.08Å; L488-Q491 PolarHBondContact O-OE1 3.48Å; L488-A492 WeakPolarHBondContact O-CB 3.47Å; L488-A492 PolarHBondContact O-N 2.83Å; L488-L529 HydrophobicContact CD2-CB 4.37Å; L488-L529 HydrophobicContact CD2-CD1 4.06Å
489	G	72.6	Confident	68.6	Low	46 Å²	46	59 Å²	59	47%	0.474	38%	0.377	S	S	.	.	H	α-helix	trans	-53.8	-43	-179.1	0	0	0	0	0	113.5	Q491 A492 I493	G489-Q491 PolarHBondContact O-N 3.44Å; G489-A492 PolarHBondContact O-N 3.1Å; G489-I493 WeakPolarHBondContact O-CD1 3.28Å; G489-I493 VanDerWaalsContact O-CG1 3.24Å; G489-I493 WeakPolarHBondContact O-CG1 3.5Å; G489-I493 PolarHBondContact O-N 3.15Å
490	H	85.1	Confident	70.7	Confident	4 Å²	4	62 Å²	62	2%	0.019	38%	0.377	C	S	.	.	H	α-helix	trans	-62.1	-42.6	176.2	-178.3	99.4	0	0	0	112.9	L488 G494 I531 G562 L563 Q564	L488-H490 VanDerWaalsContact C-N 3.29Å; L488-H490 PolarHBondContact O-N 3.15Å; H490-G494 PolarHBondContact O-N 3.15Å; H490-I531 WeakPolarHBondContact NE2-CD1 3.07Å; H490-G562 PolarHBondContact ND1-O 2.94Å; H490-L563 WeakPolarHBondContact CB-O 3.43Å; H490-Q564 HydrophobicContact CB-CB 4.18Å
491	Q	86	Confident	72.3	Confident	5 Å²	5	56.2 Å²	56.2	2%	0.023	36%	0.358	C	S	.	.	H	α-helix	trans	-74.4	-36.8	179.8	-61.6	86.6	-23.7	0	0	111.5	L488 G489 I493 G494 E495 I501 L529 Q564	L488-Q491 VanDerWaalsContact C-OE1 3.3Å; L488-Q491 HydrophobicContact CB-CB 4.45Å; L488-Q491 HydrophobicContact CD2-CB 4.29Å; L488-Q491 VanDerWaalsContact CD2-CD 3.42Å; L488-Q491 HydrophobicContact CD2-CG 4.01Å; L488-Q491 PolarHBondContact O-N 2.66Å; L488-Q491 VanDerWaalsContact O-N 3.08Å; L488-Q491 PolarHBondContact O-OE1 3.48Å; G489-Q491 PolarHBondContact O-N 3.44Å; Q491-I493 VanDerWaalsContact C-N 3.31Å; Q491-I493 PolarHBondContact O-N 2.94Å; Q491-G494 CarbonylContact O-C 3.59Å; Q491-G494 WeakPolarHBondContact O-CA 3.19Å; Q491-G494 PolarHBondContact O-N 3.32Å; Q491-G494 VanDerWaalsContact O-N 3.13Å; Q491-E495 WeakPolarHBondContact O-CB 3.29Å; Q491-E495 PolarHBondContact O-N 3.4Å; Q491-I501 HydrophobicContact CB-CD1 3.89Å; Q491-I501 HydrophobicContact CB-CG1 4.34Å; Q491-I501 HydrophobicContact CB-CG2 4.39Å; Q491-I501 HydrophobicContact CG-CD1 4.38Å; Q491-I501 HydrophobicContact CG-CG2 4.31Å; Q491-I501 WeakPolarHBondContact O-CD1 3.25Å; Q491-L529 HydrophobicContact CG-CB 4.11Å; Q491-L529 PolarHBondContact NE2-O 2.99Å; Q491-Q564 VanDerWaalsContact CD-NE2 3.27Å
492	A	81.9	Confident	73.9	Confident	33 Å²	33	55.8 Å²	55.8	27%	0.273	35%	0.354	S	S	.	.	H	α-helix	trans	-61.2	-42.5	174	0	0	0	0	0	110.8	P481 L488 G489 E495 V496	P481-A492 HydrophobicContact CB-CB 4.41Å; L488-A492 WeakPolarHBondContact O-CB 3.47Å; L488-A492 PolarHBondContact O-N 2.83Å; G489-A492 PolarHBondContact O-N 3.1Å; A492-E495 PolarHBondContact O-N 3.07Å; A492-V496 VanDerWaalsContact O-CB 3.29Å; A492-V496 WeakPolarHBondContact O-CB 3.49Å; A492-V496 WeakPolarHBondContact O-CG2 3.35Å; A492-V496 PolarHBondContact O-N 3.36Å
493	I	86.4	Confident	75.2	Confident	28 Å²	28	55.8 Å²	55.8	14%	0.144	35%	0.349	C	S	.	.	H	α-helix	trans	-59	-50.3	171.1	-66.5	162.7	0	0	0	109.7	G489 Q491 E495 V496 F497 L540 I553 V560 F561	G489-I493 WeakPolarHBondContact O-CD1 3.28Å; G489-I493 VanDerWaalsContact O-CG1 3.24Å; G489-I493 WeakPolarHBondContact O-CG1 3.5Å; G489-I493 PolarHBondContact O-N 3.15Å; Q491-I493 VanDerWaalsContact C-N 3.31Å; Q491-I493 PolarHBondContact O-N 2.94Å; I493-E495 PolarHBondContact O-N 3.4Å; I493-V496 PolarHBondContact O-N 2.99Å; I493-F497 HydrophobicContact CG2-CD2 3.85Å; I493-F497 HydrophobicContact CG2-CE2 4.03Å; I493-F497 WeakPolarHBondContact O-CD2 3.47Å; I493-F497 PolarHBondContact O-N 3.12Å; I493-L540 HydrophobicContact CG2-CD2 4.16Å; I493-I553 HydrophobicContact CB-CD1 4.07Å; I493-I553 HydrophobicContact CG2-CD1 3.49Å; I493-I553 VanDerWaalsContact CG2-CD1 3.49Å; I493-V560 HydrophobicContact CB-CG1 4.43Å; I493-V560 HydrophobicContact CD1-CG1 3.76Å; I493-V560 HydrophobicContact CG1-CG1 3.77Å; I493-V560 HydrophobicContact CG2-CG1 3.76Å; I493-F561 WeakPolarHBondContact CD1-O 3.02Å
494	G	87.8	Confident	76.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-50.8	-53.1	176.4	0	0	0	0	0	112.8	H490 Q491 F497 G498 G499	H490-G494 PolarHBondContact O-N 3.15Å; Q491-G494 CarbonylContact O-C 3.59Å; Q491-G494 WeakPolarHBondContact O-CA 3.19Å; Q491-G494 PolarHBondContact O-N 3.32Å; Q491-G494 VanDerWaalsContact O-N 3.13Å; G494-F497 PolarHBondContact O-N 3.16Å; G494-G498 PolarHBondContact O-N 2.84Å; G494-G499 VanDerWaalsContact O-CA 3.25Å; G494-G499 WeakPolarHBondContact O-CA 3.46Å; G494-G499 PolarHBondContact O-N 3.1Å
495	E	86	Confident	78.5	Confident	107 Å²	107	51 Å²	51	50%	0.5	32%	0.323	S	S	.	.	H	α-helix	trans	-67.8	-44.3	-176.7	-173.5	169.8	-173.1	0	0	113	Q491 A492 I493 F497 G498 I501	Q491-E495 WeakPolarHBondContact O-CB 3.29Å; Q491-E495 PolarHBondContact O-N 3.4Å; A492-E495 PolarHBondContact O-N 3.07Å; I493-E495 PolarHBondContact O-N 3.4Å; E495-F497 PolarHBondContact O-N 3.05Å; E495-G498 PolarHBondContact O-N 3.42Å; E495-I501 HydrophobicContact CB-CG1 4.15Å
496	V	86.4	Confident	80.4	Confident	117 Å²	117	53.6 Å²	53.6	71%	0.709	34%	0.335	S	S	*	.	H	α-helix	trans	-57.8	-35.6	177.1	165.9	0	0	0	0	111.5	A492 I493 G498	A492-V496 VanDerWaalsContact O-CB 3.29Å; A492-V496 WeakPolarHBondContact O-CB 3.49Å; A492-V496 WeakPolarHBondContact O-CG2 3.35Å; A492-V496 PolarHBondContact O-N 3.36Å; I493-V496 PolarHBondContact O-N 2.99Å; V496-G498 VanDerWaalsContact C-N 3.33Å
497	F	89.4	Confident	82	Confident	52 Å²	52	55 Å²	55	23%	0.228	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	13.4	176.8	-65.9	-67.9	0	0	0	113.7	I493 G494 E495 P537 L540 H555 Y558 V560	I493-F497 HydrophobicContact CG2-CD2 3.85Å; I493-F497 HydrophobicContact CG2-CE2 4.03Å; I493-F497 WeakPolarHBondContact O-CD2 3.47Å; I493-F497 PolarHBondContact O-N 3.12Å; G494-F497 PolarHBondContact O-N 3.16Å; E495-F497 PolarHBondContact O-N 3.05Å; F497-P537 HydrophobicContact CB-CB 4.49Å; F497-P537 HydrophobicContact CB-CG 4.49Å; F497-P537 WeakPolarHBondContact O-CB 3.47Å; F497-P537 WeakPolarHBondContact O-CG 3.28Å; F497-L540 HydrophobicContact CB-CD1 4.12Å; F497-L540 HydrophobicContact CB-CD2 4.42Å; F497-L540 HydrophobicContact CB-CG 4.16Å; F497-L540 HydrophobicContact CD2-CD2 3.96Å; F497-L540 HydrophobicContact CG-CD2 4.33Å; F497-H555 AromaticContact CD1-CD2 3.54Å; F497-H555 AromaticContact CD1-NE2 3.46Å; F497-H555 WeakPolarHBondContact CD1-NE2 3.13Å; F497-H555 AromaticContact CD2-CD2 3.89Å; F497-H555 AromaticContact CE1-CD2 3.32Å; F497-H555 WeakPolarHBondContact CE1-CD2 3.17Å; F497-H555 AromaticContact CE1-NE2 3.18Å; F497-H555 WeakPolarHBondContact CE1-NE2 3.19Å; F497-H555 AromaticContact CE2-CD2 3.71Å; F497-H555 AromaticContact CG-CD2 3.84Å; F497-H555 AromaticContact CZ-CD2 3.42Å; F497-H555 VanDerWaalsContact CZ-CD2 3.42Å; F497-H555 WeakPolarHBondContact CZ-CD2 3.28Å; F497-H555 AromaticContact CZ-NE2 3.73Å; F497-Y558 HydrophobicContact CE1-CD2 4.28Å; F497-Y558 HydrophobicContact CZ-CD2 4.31Å; F497-V560 HydrophobicContact CE2-CG1 4.21Å
498	G	87.5	Confident	82.8	Confident	66 Å²	66	51.4 Å²	51.4	68%	0.68	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.6	12.4	171.9	0	0	0	0	0	115.7	G494 E495 V496	G494-G498 PolarHBondContact O-N 2.84Å; E495-G498 PolarHBondContact O-N 3.42Å; V496-G498 VanDerWaalsContact C-N 3.33Å
499	G	87.4	Confident	83.3	Confident	8 Å²	8	54 Å²	54	8%	0.082	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-77.3	142.9	177.4	0	0	0	0	0	111.5	G494 P537	G494-G499 VanDerWaalsContact O-CA 3.25Å; G494-G499 WeakPolarHBondContact O-CA 3.46Å; G494-G499 PolarHBondContact O-N 3.1Å; G499-P537 VanDerWaalsContact CA-CG 3.43Å
500	K	88.7	Confident	82.8	Confident	105 Å²	105	52.2 Å²	52.2	46%	0.457	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-83.1	127.3	175.7	-172.2	178.2	179	-174.4	0	110	V502 D532 Q535	K500-V502 HydrophobicContact CD-CG1 4.3Å; K500-V502 HydrophobicContact CG-CG1 4.19Å; K500-D532 HydrophobicContact CB-CB 4.19Å; K500-D532 WeakPolarHBondContact O-CB 3.46Å; K500-D532 PolarHBondContact O-N 3.17Å; K500-Q535 HydrophobicContact CB-CB 4.19Å
501	I	88.3	Confident	82.2	Confident	44 Å²	44	56.8 Å²	56.8	23%	0.226	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	126.8	174.4	-52.4	-52.4	0	0	0	109.2	Q491 E495 L529 I531	Q491-I501 HydrophobicContact CB-CD1 3.89Å; Q491-I501 HydrophobicContact CB-CG1 4.34Å; Q491-I501 HydrophobicContact CB-CG2 4.39Å; Q491-I501 HydrophobicContact CG-CD1 4.38Å; Q491-I501 HydrophobicContact CG-CG2 4.31Å; Q491-I501 WeakPolarHBondContact O-CD1 3.25Å; E495-I501 HydrophobicContact CB-CG1 4.15Å; I501-L529 HydrophobicContact CG2-CB 3.76Å; I501-L529 HydrophobicContact CG2-CD1 4.02Å; I501-L529 HydrophobicContact CG2-CD2 4.22Å; I501-L529 HydrophobicContact CG2-CG 4.22Å; I501-I531 HydrophobicContact CD1-CG1 4.05Å
502	V	88.6	Confident	81.8	Confident	38 Å²	38	61.7 Å²	61.7	23%	0.23	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	161.3	-179.7	-64	0	0	0	0	110.3	K500 L529 M530 D532	K500-V502 HydrophobicContact CD-CG1 4.3Å; K500-V502 HydrophobicContact CG-CG1 4.19Å; V502-L529 WeakPolarHBondContact O-CA 3.18Å; V502-M530 HydrophobicContact CG2-CG 3.96Å; V502-M530 PolarHBondContact N-O 3.44Å; V502-M530 PolarHBondContact O-N 2.88Å; V502-D532 HydrophobicContact CG1-CB 3.93Å; V502-D532 HydrophobicContact CG2-CB 3.92Å
503	S	85.4	Confident	81.9	Confident	97 Å²	97	60.2 Å²	60.2	68%	0.678	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	135.4	171.3	-59.2	0	0	0	0	110.8	S528	S503-S528 WeakPolarHBondContact CA-O 3.48Å
504	A	82.9	Confident	81.9	Confident	10 Å²	10	66.1 Å²	66.1	8%	0.083	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	142.1	172.6	0	0	0	0	0	110.5	T506 S528 M530	A504-T506 PolarHBondContact O-N 2.84Å; A504-S528 PolarHBondContact N-O 3.11Å; A504-M530 HydrophobicContact CB-CG 4.25Å; A504-M530 HydrophobicContact CB-SD 3.95Å
505	P	78.8	Confident	81.9	Confident	105 Å²	105	66.4 Å²	66.4	68%	0.682	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	-25.5	-178.2	25.1	-33.3	0	0	0	112.7	M530	P505-M530 VanDerWaalsContact CD-SD 3.6Å
506	T	79.1	Confident	81.9	Confident	74 Å²	74	66.6 Å²	66.6	45%	0.454	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	130	169.9	-60.9	0	0	0	0	108.4	A504 M508	A504-T506 PolarHBondContact O-N 2.84Å; T506-M508 HydrophobicContact CG2-CG 4.27Å; T506-M508 HydrophobicContact CG2-SD 3.77Å; T506-M508 PolarHBondContact O-N 2.99Å
507	I	80.5	Confident	81.6	Confident	109 Å²	109	67.4 Å²	67.4	56%	0.559	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	121.1	175.6	-60.9	172.7	0	0	0	108.1	H509	I507-H509 WeakPolarHBondContact CG2-ND1 3.21Å
508	M	70.5	Confident	80.6	Confident	9 Å²	9	71.3 Å²	71.3	4%	0.044	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	87.1	-173.4	-64.1	-68.6	-79.5	0	0	109	T506 K511 S513 R525 Y526 H527	T506-M508 HydrophobicContact CG2-CG 4.27Å; T506-M508 HydrophobicContact CG2-SD 3.77Å; T506-M508 PolarHBondContact O-N 2.99Å; M508-K511 HydrophobicContact CE-CB 3.68Å; M508-K511 HydrophobicContact CE-CD 3.84Å; M508-K511 HydrophobicContact CE-CG 4.44Å; M508-K511 HydrophobicContact SD-CB 4.21Å; M508-K511 HydrophobicContact SD-CD 3.39Å; M508-K511 WeakPolarHBondContact SD-CD 3.35Å; M508-K511 HydrophobicContact SD-CG 4.44Å; M508-S513 WeakPolarHBondContact CE-OG 3.49Å; M508-R525 CarbonylContact C-O 3.52Å; M508-R525 HydrophobicContact CB-CB 3.69Å; M508-R525 CarbonylContact O-C 3.59Å; M508-Y526 CarbonylContact O-C 3.4Å; M508-Y526 VanDerWaalsContact O-CA 3.23Å; M508-Y526 WeakPolarHBondContact O-CA 3.48Å; M508-Y526 PolarHBondContact O-N 2.91Å; M508-Y526 VanDerWaalsContact O-N 3.13Å; M508-H527 PolarHBondContact N-O 3.42Å; M508-H527 PolarHBondContact O-N 3.37Å
509	H	69.5	Low	79.3	Confident	76 Å²	76	70.4 Å²	70.4	35%	0.352	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	116.9	174.6	-73.4	72.8	0	0	0	110.2	I507 K511 R525 Q590	I507-H509 WeakPolarHBondContact CG2-ND1 3.21Å; H509-K511 VanDerWaalsContact C-N 3.31Å; H509-K511 PolarHBondContact O-N 3.12Å; H509-R525 CarbonylContact C-O 3.57Å; H509-R525 WeakPolarHBondContact CA-O 3.47Å; H509-Q590 PolarHBondContact O-NE2 3.49Å
510	G	61.6	Low	78.6	Confident	10 Å²	10	77.5 Å²	77.5	10%	0.103	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	65.8	30.8	-177.4	0	0	0	0	0	113.7	M524 R525 Q590	G510-M524 VanDerWaalsContact O-CE 3.25Å; G510-M524 WeakPolarHBondContact O-CE 3.25Å; G510-R525 PolarHBondContact N-O 3.05Å; G510-Q590 PolarHBondContact O-OE1 3.2Å
511	K	74.2	Confident	77.9	Confident	100 Å²	100	77 Å²	77	44%	0.435	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	136.9	177.1	-72.4	178.6	176.5	177	0	110.6	M508 H509 M524 R525	M508-K511 HydrophobicContact CE-CB 3.68Å; M508-K511 HydrophobicContact CE-CD 3.84Å; M508-K511 HydrophobicContact CE-CG 4.44Å; M508-K511 HydrophobicContact SD-CB 4.21Å; M508-K511 HydrophobicContact SD-CD 3.39Å; M508-K511 WeakPolarHBondContact SD-CD 3.35Å; M508-K511 HydrophobicContact SD-CG 4.44Å; H509-K511 VanDerWaalsContact C-N 3.31Å; H509-K511 PolarHBondContact O-N 3.12Å; K511-M524 VanDerWaalsContact C-SD 3.59Å; K511-R525 PolarHBondContact O-N 3.33Å
512	Q	77.8	Confident	77.4	Confident	107 Å²	107	77.7 Å²	77.7	50%	0.5	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	131.4	171.3	-69.1	174.3	-23.9	0	0	109.4	L522 V523 M524 G571	Q512-L522 HydrophobicContact CB-CD1 4.25Å; Q512-L522 HydrophobicContact CB-CD2 4.36Å; Q512-L522 HydrophobicContact CB-CG 4.14Å; Q512-L522 VanDerWaalsContact CD-CD2 3.41Å; Q512-L522 HydrophobicContact CG-CD2 3.99Å; Q512-L522 HydrophobicContact CG-CG 4.19Å; Q512-L522 VanDerWaalsContact NE2-CD2 3.28Å; Q512-V523 WeakPolarHBondContact CA-O 3.39Å; Q512-M524 HydrophobicContact CB-SD 4.36Å; Q512-M524 HydrophobicContact CG-SD 3.53Å; Q512-M524 VanDerWaalsContact CG-SD 3.53Å; Q512-G571 PolarHBondContact NE2-O 2.86Å
513	S	83.2	Confident	77	Confident	3 Å²	3	75.9 Å²	75.9	2%	0.021	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	151.9	161.7	-69.4	0	0	0	0	108.9	M508 V523 R525 E547	M508-S513 WeakPolarHBondContact CE-OG 3.49Å; S513-V523 PolarHBondContact N-O 3.3Å; S513-V523 WeakPolarHBondContact O-CG2 3.49Å; S513-V523 PolarHBondContact O-N 2.91Å; S513-R525 VanDerWaalsContact CB-CD 3.44Å; S513-R525 WeakPolarHBondContact OG-CD 3.29Å; S513-R525 PolarHBondContact OG-NH1 2.86Å; S513-E547 PolarHBondContact OG-OE1 2.93Å
514	R	86.8	Confident	76.6	Confident	152 Å²	152	71.7 Å²	71.7	57%	0.574	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	125.8	171.2	-174.7	166.9	-83.8	162.5	-0.9	108.5	E520	R514-E520 HydrophobicContact CG-CB 4.28Å; R514-E520 WeakPolarHBondContact CG-O 3.35Å; R514-E520 PolarHBondContact NE-O 3.36Å
515	L	86.9	Confident	76.5	Confident	5 Å²	5	71.3 Å²	71.3	3%	0.026	34%	0.342	C	S	.	.			trans	-64.4	150.8	172	-71	177.7	0	0	0	110.2	S519 R521 V523 D544 M551 F565	L515-S519 CarbonylContact C-O 3.42Å; L515-S519 VanDerWaalsContact C-O 3.29Å; L515-S519 WeakPolarHBondContact CB-O 3.49Å; L515-S519 VanDerWaalsContact O-O 3.08Å; L515-R521 PolarHBondContact N-O 2.72Å; L515-V523 HydrophobicContact CD1-CG1 3.88Å; L515-V523 HydrophobicContact CD1-CG2 4.35Å; L515-V523 HydrophobicContact CD2-CG2 4.06Å; L515-V523 HydrophobicContact CG-CG1 4.2Å; L515-V523 HydrophobicContact CG-CG2 3.86Å; L515-D544 HydrophobicContact CD2-CB 4.32Å; L515-M551 HydrophobicContact CD2-CB 3.72Å; L515-M551 HydrophobicContact CD2-CG 4.01Å; L515-F565 HydrophobicContact CD1-CE1 4.02Å; L515-F565 HydrophobicContact CD1-CE2 4.12Å; L515-F565 HydrophobicContact CD1-CZ 3.81Å; L515-F565 HydrophobicContact CD2-CD1 4.06Å; L515-F565 HydrophobicContact CD2-CE1 4.07Å
516	Q	86.9	Confident	76.2	Confident	112 Å²	112	68.3 Å²	68.3	52%	0.523	32%	0.317	S	S	.	.	S	Bend	trans	-113.8	-23	-164.4	-65.9	179.7	-19.7	0	0	114.9	D544 E545	Q516-D544 PolarHBondContact N-OD1 3.42Å; Q516-E545 VanDerWaalsContact CB-O 3.29Å; Q516-E545 WeakPolarHBondContact CB-O 3.28Å; Q516-E545 WeakPolarHBondContact CG-O 3.27Å; Q516-E545 PolarHBondContact N-O 3.28Å
517	R	80.6	Confident	76.1	Confident	133 Å²	133	65 Å²	65	50%	0.502	30%	0.297	S	S	.	.	S	Bend	trans	-104.9	-60.8	-174	-67.1	-170.7	175.3	178.6	2.9	113.8	V542 D544 E545	R517-V542 PolarHBondContact NH1-O 3.46Å; R517-D544 PolarHBondContact N-OD1 2.61Å; R517-E545 IonicContact CZ-OE1 3.56Å; R517-E545 IonicContact CZ-OE2 3Å; R517-E545 IonicContact NE-OE1 3.65Å; R517-E545 IonicContact NE-OE2 3.85Å; R517-E545 IonicContact NH1-OE1 2.84Å; R517-E545 IonicContact NH2-OE1 3.37Å; R517-E545 PolarHBondContact NH2-OE1 3.22Å; R517-E545 IonicContact NH2-OE2 3.78Å; R517-E545 PolarHBondContact NH2-OE2 3.33Å; R517-E545 VanDerWaalsContact NH2-OE2 3.15Å
518	Q	67.1	Low	76	Confident	135 Å²	135	62.2 Å²	62.2	63%	0.631	29%	0.287	S	S	*	.	S	Bend	trans	-99.9	-26.8	-168.3	-71.8	-163.4	-10.1	0	0	113.4	M543 D544	Q518-M543 WeakPolarHBondContact CG-O 3.29Å; Q518-M543 VanDerWaalsContact NE2-CE 3.26Å; Q518-D544 PolarHBondContact N-OD2 2.86Å
519	S	59.6	Low	76.7	Confident	46 Å²	46	64.3 Å²	64.3	32%	0.322	30%	0.298	S	S	.	.			trans	-145.9	136.3	177.2	66.1	0	0	0	0	110	L515 R521	L515-S519 CarbonylContact C-O 3.42Å; L515-S519 VanDerWaalsContact C-O 3.29Å; L515-S519 WeakPolarHBondContact CB-O 3.49Å; L515-S519 VanDerWaalsContact O-O 3.08Å; S519-R521 PolarHBondContact O-N 3.08Å
520	E	74.3	Confident	77.6	Confident	158 Å²	158	61 Å²	61	74%	0.738	28%	0.283	S	S	*	.			trans	-78.9	28.2	168.1	-67.2	-162.2	159.9	0	0	111.6	R514	R514-E520 HydrophobicContact CG-CB 4.28Å; R514-E520 WeakPolarHBondContact CG-O 3.35Å; R514-E520 PolarHBondContact NE-O 3.36Å
521	R	73.5	Confident	79	Confident	93 Å²	93	60.6 Å²	60.6	35%	0.351	28%	0.278	S	S	.	.			trans	-73.3	143.8	-174.1	-163.7	172.9	-174.3	-158.5	-6.4	110.4	L515 S519 E573 D574	L515-R521 PolarHBondContact N-O 2.72Å; S519-R521 PolarHBondContact O-N 3.08Å; R521-E573 IonicContact NE-OE2 2.74Å; R521-D574 IonicContact CZ-OD2 2.94Å; R521-D574 IonicContact NH1-OD2 3.6Å; R521-D574 IonicContact NH2-OD1 3.24Å; R521-D574 IonicContact NH2-OD2 3.23Å; R521-D574 PolarHBondContact NH2-OD2 2.88Å
522	L	78.6	Confident	79.8	Confident	59 Å²	59	56.7 Å²	56.7	31%	0.309	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	122.9	174.7	-154.5	78.1	0	0	0	109.1	Q512	Q512-L522 HydrophobicContact CB-CD1 4.25Å; Q512-L522 HydrophobicContact CB-CD2 4.36Å; Q512-L522 HydrophobicContact CB-CG 4.14Å; Q512-L522 VanDerWaalsContact CD-CD2 3.41Å; Q512-L522 HydrophobicContact CG-CD2 3.99Å; Q512-L522 HydrophobicContact CG-CG 4.19Å; Q512-L522 VanDerWaalsContact NE2-CD2 3.28Å
523	V	79.5	Confident	80.3	Confident	0 Å²	0	54 Å²	54	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	154.5	-178.2	-59.7	0	0	0	0	110.5	Q512 S513 L515 F565	Q512-V523 WeakPolarHBondContact CA-O 3.39Å; S513-V523 PolarHBondContact N-O 3.3Å; S513-V523 WeakPolarHBondContact O-CG2 3.49Å; S513-V523 PolarHBondContact O-N 2.91Å; L515-V523 HydrophobicContact CD1-CG1 3.88Å; L515-V523 HydrophobicContact CD1-CG2 4.35Å; L515-V523 HydrophobicContact CD2-CG2 4.06Å; L515-V523 HydrophobicContact CG-CG1 4.2Å; L515-V523 HydrophobicContact CG-CG2 3.86Å; V523-F565 HydrophobicContact CB-CB 3.92Å; V523-F565 HydrophobicContact CB-CD2 3.82Å; V523-F565 HydrophobicContact CB-CG 4.09Å; V523-F565 HydrophobicContact CG1-CD2 3.65Å; V523-F565 HydrophobicContact CG1-CE2 4.08Å; V523-F565 HydrophobicContact CG1-CG 4.29Å; V523-F565 HydrophobicContact CG2-CB 3.65Å; V523-F565 HydrophobicContact CG2-CD2 4.13Å; V523-F565 HydrophobicContact CG2-CG 3.91Å
524	M	76.3	Confident	80.5	Confident	10 Å²	10	62.1 Å²	62.1	5%	0.049	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	134.5	175.1	-70.2	-76.9	-85.1	0	0	110.6	G510 K511 Q512 Y526 F565 H566 S569 T572	G510-M524 VanDerWaalsContact O-CE 3.25Å; G510-M524 WeakPolarHBondContact O-CE 3.25Å; K511-M524 VanDerWaalsContact C-SD 3.59Å; Q512-M524 HydrophobicContact CB-SD 4.36Å; Q512-M524 HydrophobicContact CG-SD 3.53Å; Q512-M524 VanDerWaalsContact CG-SD 3.53Å; M524-Y526 HydrophobicContact CB-CD2 4.38Å; M524-Y526 HydrophobicContact CB-CE2 3.67Å; M524-F565 CarbonylContact O-C 3.6Å; M524-F565 WeakPolarHBondContact O-CA 3.45Å; M524-H566 PolarHBondContact N-O 3.13Å; M524-H566 PolarHBondContact O-N 3.32Å; M524-S569 VanDerWaalsContact CB-CB 3.49Å; M524-T572 HydrophobicContact CB-CG2 4.23Å; M524-T572 HydrophobicContact CG-CG2 3.68Å
525	R	81.2	Confident	80.5	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.008	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	140	179.7	-65.1	172.4	62.8	-178.4	4.7	110.2	M508 H509 G510 K511 S513 H527 E547 C549 M551	M508-R525 CarbonylContact C-O 3.52Å; M508-R525 HydrophobicContact CB-CB 3.69Å; M508-R525 CarbonylContact O-C 3.59Å; H509-R525 CarbonylContact C-O 3.57Å; H509-R525 WeakPolarHBondContact CA-O 3.47Å; G510-R525 PolarHBondContact N-O 3.05Å; K511-R525 PolarHBondContact O-N 3.33Å; S513-R525 VanDerWaalsContact CB-CD 3.44Å; S513-R525 WeakPolarHBondContact OG-CD 3.29Å; S513-R525 PolarHBondContact OG-NH1 2.86Å; R525-H527 PolarHBondContact NE-NE2 3.39Å; R525-H527 PolarHBondContact NH2-CE1 2.87Å; R525-E547 IonicContact CZ-OE2 3.41Å; R525-E547 VanDerWaalsContact NH1-CD 3.26Å; R525-E547 IonicContact NH1-OE1 3.99Å; R525-E547 IonicContact NH1-OE2 2.96Å; R525-E547 PolarHBondContact NH1-OE2 3.35Å; R525-C549 PolarHBondContact NH2-SG 2.96Å; R525-M551 HydrophobicContact CG-CE 3.66Å
526	Y	72.2	Confident	80.6	Confident	41 Å²	41	61.4 Å²	61.4	16%	0.161	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	53.6	177.4	-66.4	-98.8	0	0	0	112	M508 M524 H566 S569 E587	M508-Y526 CarbonylContact O-C 3.4Å; M508-Y526 VanDerWaalsContact O-CA 3.23Å; M508-Y526 WeakPolarHBondContact O-CA 3.48Å; M508-Y526 PolarHBondContact O-N 2.91Å; M508-Y526 VanDerWaalsContact O-N 3.13Å; M524-Y526 HydrophobicContact CB-CD2 4.38Å; M524-Y526 HydrophobicContact CB-CE2 3.67Å; Y526-H566 HydrophobicContact CD2-CB 4.28Å; Y526-H566 AromaticContact CD2-CD2 3.41Å; Y526-H566 VanDerWaalsContact CD2-CD2 3.41Å; Y526-H566 WeakPolarHBondContact CD2-CD2 3.23Å; Y526-H566 AromaticContact CD2-CG 3.99Å; Y526-H566 HydrophobicContact CE2-CB 4.23Å; Y526-S569 WeakPolarHBondContact CE2-OG 3.31Å; Y526-E587 PolarHBondContact OH-OE1 2.73Å
527	H	77	Confident	80.6	Confident	6 Å²	6	56.9 Å²	56.9	3%	0.028	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	147.8	-173.8	70.1	87.7	0	0	0	114	M508 R525 M551 Q564	M508-H527 PolarHBondContact N-O 3.42Å; M508-H527 PolarHBondContact O-N 3.37Å; R525-H527 PolarHBondContact NE-NE2 3.39Å; R525-H527 PolarHBondContact NH2-CE1 2.87Å; H527-M551 PolarHBondContact NE2-SD 3.17Å; H527-M551 VanDerWaalsContact NE2-SD 3.44Å; H527-Q564 HydrophobicContact CB-CG 3.85Å; H527-Q564 WeakPolarHBondContact CD2-CG 3.44Å; H527-Q564 PolarHBondContact CD2-O 2.95Å; H527-Q564 PolarHBondContact CE1-OE1 3.41Å
528	S	77.9	Confident	81.1	Confident	50 Å²	50	58.8 Å²	58.8	35%	0.35	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	-13.3	172.1	54.6	0	0	0	0	112.9	S503 A504	S503-S528 WeakPolarHBondContact CA-O 3.48Å; A504-S528 PolarHBondContact N-O 3.11Å
529	L	85.7	Confident	82.2	Confident	52 Å²	52	56.7 Å²	56.7	27%	0.272	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	141	174.8	-65.2	179	0	0	0	108.6	L488 Q491 I501 V502 Q564	L488-L529 HydrophobicContact CD2-CB 4.37Å; L488-L529 HydrophobicContact CD2-CD1 4.06Å; Q491-L529 HydrophobicContact CG-CB 4.11Å; Q491-L529 PolarHBondContact NE2-O 2.99Å; I501-L529 HydrophobicContact CG2-CB 3.76Å; I501-L529 HydrophobicContact CG2-CD1 4.02Å; I501-L529 HydrophobicContact CG2-CD2 4.22Å; I501-L529 HydrophobicContact CG2-CG 4.22Å; V502-L529 WeakPolarHBondContact O-CA 3.18Å; L529-Q564 PolarHBondContact O-NE2 3.21Å
530	M	88.8	Confident	83.8	Confident	8 Å²	8	54.8 Å²	54.8	4%	0.039	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	159.6	175.3	58.2	-173.6	-98.3	0	0	109.6	V502 A504 P505 D532 P533 C549	V502-M530 HydrophobicContact CG2-CG 3.96Å; V502-M530 PolarHBondContact N-O 3.44Å; V502-M530 PolarHBondContact O-N 2.88Å; A504-M530 HydrophobicContact CB-CG 4.25Å; A504-M530 HydrophobicContact CB-SD 3.95Å; P505-M530 VanDerWaalsContact CD-SD 3.6Å; M530-D532 PolarHBondContact O-N 2.71Å; M530-P533 HydrophobicContact CE-CG 3.15Å; M530-C549 HydrophobicContact SD-CB 4.2Å
531	I	90.9	Very high	84.6	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	129.3	163.9	-59	174.3	0	0	0	106.8	H490 I501 P533 V536 I550 I553	H490-I531 WeakPolarHBondContact NE2-CD1 3.07Å; I501-I531 HydrophobicContact CD1-CG1 4.05Å; I531-P533 WeakPolarHBondContact O-CD 3.49Å; I531-P533 VanDerWaalsContact O-N 3.13Å; I531-V536 HydrophobicContact CG2-CG2 4.33Å; I531-I550 HydrophobicContact CB-CD1 4.26Å; I531-I550 HydrophobicContact CG2-CD1 4.26Å; I531-I553 HydrophobicContact CD1-CD1 3.64Å; I531-I553 HydrophobicContact CD1-CG2 4.18Å
532	D	90.7	Very high	85.5	Confident	18 Å²	18	47.3 Å²	47.3	10%	0.096	24%	0.242	C	C	.	.			trans	-57	114.4	175	-174.6	-15.7	0	0	0	109.1	K500 V502 M530 H534 Q535 V536	K500-D532 HydrophobicContact CB-CB 4.19Å; K500-D532 WeakPolarHBondContact O-CB 3.46Å; K500-D532 PolarHBondContact O-N 3.17Å; V502-D532 HydrophobicContact CG1-CB 3.93Å; V502-D532 HydrophobicContact CG2-CB 3.92Å; M530-D532 PolarHBondContact O-N 2.71Å; D532-H534 PolarHBondContact O-N 3.07Å; D532-H534 VanDerWaalsContact O-N 3.08Å; D532-H534 WeakPolarHBondContact OD1-CB 3.35Å; D532-H534 IonicContact OD1-CD2 3.64Å; D532-H534 IonicContact OD1-CG 3.67Å; D532-H534 PolarHBondContact OD1-N 2.96Å; D532-Q535 HydrophobicContact CB-CB 4.1Å; D532-Q535 HydrophobicContact CB-CG 4.47Å; D532-Q535 CarbonylContact O-C 3.39Å; D532-Q535 PolarHBondContact O-N 3.39Å; D532-V536 PolarHBondContact O-N 3.45Å
533	P	88.7	Confident	86.1	Confident	51 Å²	51	45.9 Å²	45.9	33%	0.331	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.5	-178.1	-21.1	33.4	0	0	0	112.6	M530 I531 I550	M530-P533 HydrophobicContact CE-CG 3.15Å; I531-P533 WeakPolarHBondContact O-CD 3.49Å; I531-P533 VanDerWaalsContact O-N 3.13Å; P533-I550 HydrophobicContact CB-CD1 4.34Å
534	H	87.9	Confident	86.6	Confident	173 Å²	173	46.1 Å²	46.1	80%	0.801	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-8.5	176.4	-54.1	-61.7	0	0	0	113.3	D532	D532-H534 PolarHBondContact O-N 3.07Å; D532-H534 VanDerWaalsContact O-N 3.08Å; D532-H534 WeakPolarHBondContact OD1-CB 3.35Å; D532-H534 IonicContact OD1-CD2 3.64Å; D532-H534 IonicContact OD1-CG 3.67Å; D532-H534 PolarHBondContact OD1-N 2.96Å
535	Q	87.2	Confident	87.3	Confident	96 Å²	96	47.7 Å²	47.7	45%	0.449	24%	0.243	S	C	.	.	S	Bend	trans	-134.3	47.6	-178.5	-55.2	-170.5	18.8	0	0	112.3	K500 D532 P537	K500-Q535 HydrophobicContact CB-CB 4.19Å; D532-Q535 HydrophobicContact CB-CB 4.1Å; D532-Q535 HydrophobicContact CB-CG 4.47Å; D532-Q535 CarbonylContact O-C 3.39Å; D532-Q535 PolarHBondContact O-N 3.39Å; Q535-P537 WeakPolarHBondContact O-CD 3.48Å
536	V	88.2	Confident	87.7	Confident	47 Å²	47	47.6 Å²	47.6	29%	0.285	24%	0.242	S	C	.	.			trans	-75.8	126.4	173	-174.6	0	0	0	0	109.8	I531 D532 L540 V542 I550	I531-V536 HydrophobicContact CG2-CG2 4.33Å; D532-V536 PolarHBondContact O-N 3.45Å; V536-L540 HydrophobicContact CG1-CB 4.14Å; V536-V542 HydrophobicContact CG1-CG2 4.27Å; V536-V542 HydrophobicContact CG2-CG2 4.27Å; V536-I550 HydrophobicContact CG2-CD1 3.49Å; V536-I550 VanDerWaalsContact CG2-CD1 3.49Å
537	P	87.4	Confident	88.4	Confident	17 Å²	17	50.7 Å²	50.7	11%	0.11	26%	0.258	C	S	.	.			trans	-56.8	147.7	175.8	-28.5	36.9	0	0	0	113.6	F497 G499 Q535 D539 L540	F497-P537 HydrophobicContact CB-CB 4.49Å; F497-P537 HydrophobicContact CB-CG 4.49Å; F497-P537 WeakPolarHBondContact O-CB 3.47Å; F497-P537 WeakPolarHBondContact O-CG 3.28Å; G499-P537 VanDerWaalsContact CA-CG 3.43Å; Q535-P537 WeakPolarHBondContact O-CD 3.48Å; P537-D539 PolarHBondContact O-N 3.28Å; P537-D539 VanDerWaalsContact O-N 3.16Å; P537-L540 HydrophobicContact CB-CD1 4.42Å; P537-L540 HydrophobicContact CB-CG 4.34Å; P537-L540 HydrophobicContact CG-CD1 4.08Å; P537-L540 PolarHBondContact O-N 2.91Å; P537-L540 VanDerWaalsContact O-N 3.08Å
538	Q	89.9	Confident	88.7	Confident	173 Å²	173	52.7 Å²	52.7	81%	0.808	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.1	179.1	-73.2	-172.2	-3.5	0	0	113.6	L540 K556	Q538-L540 VanDerWaalsContact C-N 3.32Å; Q538-K556 WeakPolarHBondContact O-CD 3.41Å; Q538-K556 WeakPolarHBondContact O-CE 3.49Å; Q538-K556 PolarHBondContact O-NZ 3.02Å
539	D	91.3	Very high	89.3	Confident	90 Å²	90	50.4 Å²	50.4	48%	0.481	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-8.1	179.9	-63.7	-36	0	0	0	113.4	P537 H555 K556	P537-D539 PolarHBondContact O-N 3.28Å; P537-D539 VanDerWaalsContact O-N 3.16Å; D539-H555 WeakPolarHBondContact O-CA 3.36Å; D539-K556 WeakPolarHBondContact O-CG 2.96Å; D539-K556 PolarHBondContact O-N 3.06Å
540	L	91.8	Very high	89.5	Confident	6 Å²	6	48 Å²	48	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	146.9	177.3	-63.2	-178.7	0	0	0	111.3	I493 F497 V536 P537 Q538 I553 R554 H555 K556	I493-L540 HydrophobicContact CG2-CD2 4.16Å; F497-L540 HydrophobicContact CB-CD1 4.12Å; F497-L540 HydrophobicContact CB-CD2 4.42Å; F497-L540 HydrophobicContact CB-CG 4.16Å; F497-L540 HydrophobicContact CD2-CD2 3.96Å; F497-L540 HydrophobicContact CG-CD2 4.33Å; V536-L540 HydrophobicContact CG1-CB 4.14Å; P537-L540 HydrophobicContact CB-CD1 4.42Å; P537-L540 HydrophobicContact CB-CG 4.34Å; P537-L540 HydrophobicContact CG-CD1 4.08Å; P537-L540 PolarHBondContact O-N 2.91Å; P537-L540 VanDerWaalsContact O-N 3.08Å; Q538-L540 VanDerWaalsContact C-N 3.32Å; L540-I553 HydrophobicContact CD1-CD1 3.88Å; L540-I553 HydrophobicContact CD2-CD1 4.28Å; L540-R554 WeakPolarHBondContact CA-O 3.43Å; L540-H555 HydrophobicContact CD2-CB 4.09Å; L540-K556 WeakPolarHBondContact O-CE 3.37Å
541	E	91.9	Very high	89.6	Confident	68 Å²	68	47.6 Å²	47.6	32%	0.318	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.8	174.2	178.8	-179	169.5	0	0	109.6	M543 I553 R554 K556	E541-M543 PolarHBondContact O-N 3.35Å; E541-I553 CarbonylContact O-C 3.55Å; E541-I553 VanDerWaalsContact O-CA 3.22Å; E541-I553 WeakPolarHBondContact O-CA 3.37Å; E541-R554 HydrophobicContact CB-CG 3.94Å; E541-R554 VanDerWaalsContact CD-NE 3.31Å; E541-R554 PolarHBondContact N-O 3.03Å; E541-R554 PolarHBondContact O-N 2.9Å; E541-R554 IonicContact OE1-CZ 2.86Å; E541-R554 IonicContact OE1-NE 3.58Å; E541-R554 IonicContact OE1-NH2 2.73Å; E541-R554 PolarHBondContact OE1-NH2 2.78Å; E541-R554 IonicContact OE2-CZ 3.93Å; E541-R554 IonicContact OE2-NE 3.57Å; E541-R554 PolarHBondContact OE2-NE 2.92Å; E541-R554 IonicContact OE2-NH2 3.25Å; E541-R554 PolarHBondContact OE2-NH2 2.77Å; E541-K556 HydrophobicContact CB-CG 4.46Å
542	V	92.5	Very high	89.6	Confident	26 Å²	26	48 Å²	48	16%	0.158	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	116.6	178	177.7	0	0	0	0	110.1	R517 V536 E545 I550 I553	R517-V542 PolarHBondContact NH1-O 3.46Å; V536-V542 HydrophobicContact CG1-CG2 4.27Å; V536-V542 HydrophobicContact CG2-CG2 4.27Å; V542-E545 HydrophobicContact CG1-CG 3.81Å; V542-E545 WeakPolarHBondContact CG1-OE1 3.34Å; V542-I550 HydrophobicContact CG1-CG1 4.12Å; V542-I550 HydrophobicContact CG1-CG2 4.03Å; V542-I550 HydrophobicContact CG2-CD1 3.72Å; V542-I550 HydrophobicContact CG2-CG1 3.96Å; V542-I550 HydrophobicContact CG2-CG2 4.13Å; V542-I553 HydrophobicContact CG2-CG2 4.47Å
543	M	90.8	Very high	89.6	Confident	30 Å²	30	47.2 Å²	47.2	15%	0.148	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-41.8	-176	-65.9	-67.8	-72.4	0	0	112.4	Q518 E541 A552 R554	Q518-M543 WeakPolarHBondContact CG-O 3.29Å; Q518-M543 VanDerWaalsContact NE2-CE 3.26Å; E541-M543 PolarHBondContact O-N 3.35Å; M543-A552 HydrophobicContact CB-CB 3.72Å; M543-A552 PolarHBondContact N-O 3.48Å; M543-R554 HydrophobicContact CG-CB 4.16Å; M543-R554 HydrophobicContact CG-CG 4.02Å; M543-R554 HydrophobicContact SD-CB 4.37Å; M543-R554 VanDerWaalsContact SD-CD 3.51Å; M543-R554 HydrophobicContact SD-CG 3.74Å
544	D	90.3	Very high	89.7	Confident	5 Å²	5	49.2 Å²	49.2	3%	0.027	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	160.5	179.9	-142.3	-37.7	0	0	0	111.9	L515 Q516 R517 Q518 M551 A552	L515-D544 HydrophobicContact CD2-CB 4.32Å; Q516-D544 PolarHBondContact N-OD1 3.42Å; R517-D544 PolarHBondContact N-OD1 2.61Å; Q518-D544 PolarHBondContact N-OD2 2.86Å; D544-M551 PolarHBondContact O-N 2.82Å; D544-A552 HydrophobicContact CB-CB 4.14Å; D544-A552 PolarHBondContact N-O 2.93Å; D544-A552 PolarHBondContact O-N 3.32Å
545	E	91.4	Very high	90	Very high	42 Å²	42	41.7 Å²	41.7	20%	0.196	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	154.2	-175.2	-67.4	173.3	-179.9	0	0	110.6	Q516 R517 V542 C549	Q516-E545 VanDerWaalsContact CB-O 3.29Å; Q516-E545 WeakPolarHBondContact CB-O 3.28Å; Q516-E545 WeakPolarHBondContact CG-O 3.27Å; Q516-E545 PolarHBondContact N-O 3.28Å; R517-E545 IonicContact CZ-OE1 3.56Å; R517-E545 IonicContact CZ-OE2 3Å; R517-E545 IonicContact NE-OE1 3.65Å; R517-E545 IonicContact NE-OE2 3.85Å; R517-E545 IonicContact NH1-OE1 2.84Å; R517-E545 IonicContact NH2-OE1 3.37Å; R517-E545 PolarHBondContact NH2-OE1 3.22Å; R517-E545 IonicContact NH2-OE2 3.78Å; R517-E545 PolarHBondContact NH2-OE2 3.33Å; R517-E545 VanDerWaalsContact NH2-OE2 3.15Å; V542-E545 HydrophobicContact CG1-CG 3.81Å; V542-E545 WeakPolarHBondContact CG1-OE1 3.34Å; E545-C549 CarbonylContact C-O 3.56Å; E545-C549 WeakPolarHBondContact CA-O 3.42Å; E545-C549 WeakPolarHBondContact CB-O 3.31Å
546	A	88.5	Confident	90.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	122.5	170.1	0	0	0	0	0	108.8	G548 C549 M551	A546-G548 PolarHBondContact O-N 3.08Å; A546-C549 PolarHBondContact N-O 2.91Å; A546-C549 WeakPolarHBondContact O-CB 3.43Å; A546-C549 PolarHBondContact O-N 3.43Å; A546-M551 HydrophobicContact CB-CG 3.58Å; A546-M551 HydrophobicContact CB-SD 4.13Å; A546-M551 VanDerWaalsContact N-CG 3.27Å
547	E	86.7	Confident	90	Very high	106 Å²	106	50.6 Å²	50.6	50%	0.495	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	37.3	178.3	-60	157.2	-152.8	0	0	113	S513 R525 C549	S513-E547 PolarHBondContact OG-OE1 2.93Å; R525-E547 IonicContact CZ-OE2 3.41Å; R525-E547 VanDerWaalsContact NH1-CD 3.26Å; R525-E547 IonicContact NH1-OE1 3.99Å; R525-E547 IonicContact NH1-OE2 2.96Å; R525-E547 PolarHBondContact NH1-OE2 3.35Å; E547-C549 VanDerWaalsContact C-N 3.32Å; E547-C549 PolarHBondContact O-N 2.88Å
548	G	84.6	Confident	89.8	Confident	48 Å²	48	55.5 Å²	55.5	50%	0.495	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	4.2	179.9	0	0	0	0	0	115.5	A546	A546-G548 PolarHBondContact O-N 3.08Å
549	C	89.4	Confident	89.4	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.014	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	141.4	171.7	-62.7	0	0	0	0	111.2	R525 M530 E545 A546 E547 M551	R525-C549 PolarHBondContact NH2-SG 2.96Å; M530-C549 HydrophobicContact SD-CB 4.2Å; E545-C549 CarbonylContact C-O 3.56Å; E545-C549 WeakPolarHBondContact CA-O 3.42Å; E545-C549 WeakPolarHBondContact CB-O 3.31Å; A546-C549 PolarHBondContact N-O 2.91Å; A546-C549 WeakPolarHBondContact O-CB 3.43Å; A546-C549 PolarHBondContact O-N 3.43Å; E547-C549 VanDerWaalsContact C-N 3.32Å; E547-C549 PolarHBondContact O-N 2.88Å; C549-M551 HydrophobicContact CB-SD 4.11Å; C549-M551 WeakPolarHBondContact O-CG 3.26Å; C549-M551 PolarHBondContact O-N 3.37Å
550	I	91.5	Very high	88.9	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	117	171.6	-65.6	170.8	0	0	0	108.7	I531 P533 V536 V542 I553 Q564	I531-I550 HydrophobicContact CB-CD1 4.26Å; I531-I550 HydrophobicContact CG2-CD1 4.26Å; P533-I550 HydrophobicContact CB-CD1 4.34Å; V536-I550 HydrophobicContact CG2-CD1 3.49Å; V536-I550 VanDerWaalsContact CG2-CD1 3.49Å; V542-I550 HydrophobicContact CG1-CG1 4.12Å; V542-I550 HydrophobicContact CG1-CG2 4.03Å; V542-I550 HydrophobicContact CG2-CD1 3.72Å; V542-I550 HydrophobicContact CG2-CG1 3.96Å; V542-I550 HydrophobicContact CG2-CG2 4.13Å; I550-I553 HydrophobicContact CG2-CG2 3.49Å; I550-I553 VanDerWaalsContact CG2-CG2 3.49Å; I550-Q564 PolarHBondContact O-OE1 3.14Å
551	M	89.7	Confident	88.6	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-24	-174.8	-64.7	-52.3	-59.3	0	0	112.7	L515 R525 H527 D544 A546 C549 Q564 F565	L515-M551 HydrophobicContact CD2-CB 3.72Å; L515-M551 HydrophobicContact CD2-CG 4.01Å; R525-M551 HydrophobicContact CG-CE 3.66Å; H527-M551 PolarHBondContact NE2-SD 3.17Å; H527-M551 VanDerWaalsContact NE2-SD 3.44Å; D544-M551 PolarHBondContact O-N 2.82Å; A546-M551 HydrophobicContact CB-CG 3.58Å; A546-M551 HydrophobicContact CB-SD 4.13Å; A546-M551 VanDerWaalsContact N-CG 3.27Å; C549-M551 HydrophobicContact CB-SD 4.11Å; C549-M551 WeakPolarHBondContact O-CG 3.26Å; C549-M551 PolarHBondContact O-N 3.37Å; M551-Q564 HydrophobicContact CE-CB 4.38Å; M551-Q564 HydrophobicContact CE-CG 4.3Å; M551-Q564 WeakPolarHBondContact CE-O 3.35Å; M551-Q564 PolarHBondContact O-N 3.27Å; M551-Q564 HydrophobicContact SD-CG 4.48Å; M551-F565 HydrophobicContact CB-CD1 3.92Å; M551-F565 HydrophobicContact CB-CE1 4.23Å; M551-F565 HydrophobicContact CE-CB 3.72Å; M551-F565 HydrophobicContact CE-CD1 4.03Å; M551-F565 HydrophobicContact CE-CG 4.37Å; M551-F565 WeakPolarHBondContact O-CD1 3.3Å; M551-F565 WeakPolarHBondContact O-CE1 3.31Å
552	A	90.6	Very high	88.3	Confident	7 Å²	7	53.4 Å²	53.4	6%	0.058	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	140.6	175.3	0	0	0	0	0	111.2	M543 D544 G562 L563 F565	M543-A552 HydrophobicContact CB-CB 3.72Å; M543-A552 PolarHBondContact N-O 3.48Å; D544-A552 HydrophobicContact CB-CB 4.14Å; D544-A552 PolarHBondContact N-O 2.93Å; D544-A552 PolarHBondContact O-N 3.32Å; A552-G562 CarbonylContact C-O 3.59Å; A552-G562 VanDerWaalsContact CA-O 3.27Å; A552-G562 WeakPolarHBondContact CA-O 3.27Å; A552-L563 HydrophobicContact CB-CD2 3.68Å; A552-F565 HydrophobicContact CB-CE1 4.17Å
553	I	91	Very high	88	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	155.3	172.4	57.6	169	0	0	0	111	I493 I531 L540 E541 V542 I550 F561 G562	I493-I553 HydrophobicContact CB-CD1 4.07Å; I493-I553 HydrophobicContact CG2-CD1 3.49Å; I493-I553 VanDerWaalsContact CG2-CD1 3.49Å; I531-I553 HydrophobicContact CD1-CD1 3.64Å; I531-I553 HydrophobicContact CD1-CG2 4.18Å; L540-I553 HydrophobicContact CD1-CD1 3.88Å; L540-I553 HydrophobicContact CD2-CD1 4.28Å; E541-I553 CarbonylContact O-C 3.55Å; E541-I553 VanDerWaalsContact O-CA 3.22Å; E541-I553 WeakPolarHBondContact O-CA 3.37Å; V542-I553 HydrophobicContact CG2-CG2 4.47Å; I550-I553 HydrophobicContact CG2-CG2 3.49Å; I550-I553 VanDerWaalsContact CG2-CG2 3.49Å; I553-F561 WeakPolarHBondContact O-CA 3.24Å; I553-G562 PolarHBondContact N-O 3.39Å; I553-G562 PolarHBondContact O-N 2.96Å
554	R	92.1	Very high	87.6	Confident	94 Å²	94	56.1 Å²	56.1	36%	0.355	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	148.5	163.8	71	174.9	-176.3	-165.9	-1.3	110.9	L540 E541 M543 V560 F561	L540-R554 WeakPolarHBondContact CA-O 3.43Å; E541-R554 HydrophobicContact CB-CG 3.94Å; E541-R554 VanDerWaalsContact CD-NE 3.31Å; E541-R554 PolarHBondContact N-O 3.03Å; E541-R554 PolarHBondContact O-N 2.9Å; E541-R554 IonicContact OE1-CZ 2.86Å; E541-R554 IonicContact OE1-NE 3.58Å; E541-R554 IonicContact OE1-NH2 2.73Å; E541-R554 PolarHBondContact OE1-NH2 2.78Å; E541-R554 IonicContact OE2-CZ 3.93Å; E541-R554 IonicContact OE2-NE 3.57Å; E541-R554 PolarHBondContact OE2-NE 2.92Å; E541-R554 IonicContact OE2-NH2 3.25Å; E541-R554 PolarHBondContact OE2-NH2 2.77Å; M543-R554 HydrophobicContact CG-CB 4.16Å; M543-R554 HydrophobicContact CG-CG 4.02Å; M543-R554 HydrophobicContact SD-CB 4.37Å; M543-R554 VanDerWaalsContact SD-CD 3.51Å; M543-R554 HydrophobicContact SD-CG 3.74Å; R554-V560 CarbonylContact C-O 3.51Å; R554-V560 WeakPolarHBondContact CA-O 3.25Å; R554-F561 HydrophobicContact CB-CD1 3.7Å; R554-F561 HydrophobicContact CB-CE1 3.78Å
555	H	92.4	Very high	87.1	Confident	14 Å²	14	57.3 Å²	57.3	7%	0.065	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	138.6	168.2	-170.1	-88.4	0	0	0	110.3	F497 D539 L540 R557 Y558 V560	F497-H555 AromaticContact CD1-CD2 3.54Å; F497-H555 AromaticContact CD1-NE2 3.46Å; F497-H555 WeakPolarHBondContact CD1-NE2 3.13Å; F497-H555 AromaticContact CD2-CD2 3.89Å; F497-H555 AromaticContact CE1-CD2 3.32Å; F497-H555 WeakPolarHBondContact CE1-CD2 3.17Å; F497-H555 AromaticContact CE1-NE2 3.18Å; F497-H555 WeakPolarHBondContact CE1-NE2 3.19Å; F497-H555 AromaticContact CE2-CD2 3.71Å; F497-H555 AromaticContact CG-CD2 3.84Å; F497-H555 AromaticContact CZ-CD2 3.42Å; F497-H555 VanDerWaalsContact CZ-CD2 3.42Å; F497-H555 WeakPolarHBondContact CZ-CD2 3.28Å; F497-H555 AromaticContact CZ-NE2 3.73Å; D539-H555 WeakPolarHBondContact O-CA 3.36Å; L540-H555 HydrophobicContact CD2-CB 4.09Å; H555-R557 VanDerWaalsContact C-N 3.29Å; H555-R557 PolarHBondContact ND1-N 3.26Å; H555-R557 VanDerWaalsContact ND1-N 3.11Å; H555-R557 PolarHBondContact O-N 3.11Å; H555-Y558 AromaticContact CE1-CD2 3.07Å; H555-Y558 WeakPolarHBondContact CE1-CD2 3.46Å; H555-Y558 AromaticContact CE1-CE2 3.59Å; H555-Y558 AromaticContact CE1-CG 3.87Å; H555-Y558 AromaticContact ND1-CD2 3.34Å; H555-Y558 VanDerWaalsContact ND1-CD2 3.34Å; H555-Y558 WeakPolarHBondContact ND1-CD2 3.41Å; H555-Y558 AromaticContact ND1-CG 3.71Å; H555-Y558 PolarHBondContact ND1-N 2.73Å; H555-Y558 AromaticContact NE2-CD2 3.66Å; H555-V560 HydrophobicContact CB-CB 3.9Å; H555-V560 PolarHBondContact N-O 3.22Å
556	K	89.5	Confident	86	Confident	128 Å²	128	58.3 Å²	58.3	56%	0.557	28%	0.282	S	S	*	.	S	Bend	trans	-71.4	-22.1	-173.7	-69.3	177.7	-176	174.9	0	114.1	Q538 D539 L540 E541	Q538-K556 WeakPolarHBondContact O-CD 3.41Å; Q538-K556 WeakPolarHBondContact O-CE 3.49Å; Q538-K556 PolarHBondContact O-NZ 3.02Å; D539-K556 WeakPolarHBondContact O-CG 2.96Å; D539-K556 PolarHBondContact O-N 3.06Å; L540-K556 WeakPolarHBondContact O-CE 3.37Å; E541-K556 HydrophobicContact CB-CG 4.46Å
557	R	86	Confident	84.6	Confident	203 Å²	203	59.9 Å²	59.9	77%	0.766	29%	0.292	S	S	*	.	S	Bend	trans	-120.2	-23.2	-174.7	-176.7	179.1	175.5	-175.6	-1.6	115.3	H555	H555-R557 VanDerWaalsContact C-N 3.29Å; H555-R557 PolarHBondContact ND1-N 3.26Å; H555-R557 VanDerWaalsContact ND1-N 3.11Å; H555-R557 PolarHBondContact O-N 3.11Å
558	Y	83.9	Confident	83	Confident	119 Å²	119	58.1 Å²	58.1	47%	0.467	28%	0.284	S	S	.	.	S	Bend	trans	-119.2	150.2	-172.1	-62.1	-55.5	0	0	0	107.6	F497 H555 V560	F497-Y558 HydrophobicContact CE1-CD2 4.28Å; F497-Y558 HydrophobicContact CZ-CD2 4.31Å; H555-Y558 AromaticContact CE1-CD2 3.07Å; H555-Y558 WeakPolarHBondContact CE1-CD2 3.46Å; H555-Y558 AromaticContact CE1-CE2 3.59Å; H555-Y558 AromaticContact CE1-CG 3.87Å; H555-Y558 AromaticContact ND1-CD2 3.34Å; H555-Y558 VanDerWaalsContact ND1-CD2 3.34Å; H555-Y558 WeakPolarHBondContact ND1-CD2 3.41Å; H555-Y558 AromaticContact ND1-CG 3.71Å; H555-Y558 PolarHBondContact ND1-N 2.73Å; H555-Y558 AromaticContact NE2-CD2 3.66Å; Y558-V560 PolarHBondContact O-N 3.27Å
559	P	81.5	Confident	81.6	Confident	118 Å²	118	56.3 Å²	56.3	77%	0.766	26%	0.264	S	S	*	.	S	Bend	trans	-75.5	55.8	179	33.9	-36.9	0	0	0	111
560	V	82	Confident	79.9	Confident	41 Å²	41	59.1 Å²	59.1	25%	0.248	28%	0.278	C	S	.	.			trans	-111.7	121.2	-178.1	179.8	0	0	0	0	108	I493 F497 R554 H555 Y558	I493-V560 HydrophobicContact CB-CG1 4.43Å; I493-V560 HydrophobicContact CD1-CG1 3.76Å; I493-V560 HydrophobicContact CG1-CG1 3.77Å; I493-V560 HydrophobicContact CG2-CG1 3.76Å; F497-V560 HydrophobicContact CE2-CG1 4.21Å; R554-V560 CarbonylContact C-O 3.51Å; R554-V560 WeakPolarHBondContact CA-O 3.25Å; H555-V560 HydrophobicContact CB-CB 3.9Å; H555-V560 PolarHBondContact N-O 3.22Å; Y558-V560 PolarHBondContact O-N 3.27Å
561	F	85.4	Confident	78.2	Confident	133 Å²	133	60 Å²	60	58%	0.583	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	137.8	179.3	-60.1	-91.8	0	0	0	108.8	I493 I553 R554	I493-F561 WeakPolarHBondContact CD1-O 3.02Å; I553-F561 WeakPolarHBondContact O-CA 3.24Å; R554-F561 HydrophobicContact CB-CD1 3.7Å; R554-F561 HydrophobicContact CB-CE1 3.78Å
562	G	85.1	Confident	76.9	Confident	2 Å²	2	60.9 Å²	60.9	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125	175.2	0	0	0	0	0	109.7	H490 A552 I553	H490-G562 PolarHBondContact ND1-O 2.94Å; A552-G562 CarbonylContact C-O 3.59Å; A552-G562 VanDerWaalsContact CA-O 3.27Å; A552-G562 WeakPolarHBondContact CA-O 3.27Å; I553-G562 PolarHBondContact N-O 3.39Å; I553-G562 PolarHBondContact O-N 2.96Å
563	L	86.1	Confident	75.2	Confident	104 Å²	104	68.2 Å²	68.2	55%	0.545	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	139	174	-59.6	176.6	0	0	0	109.5	H490 A552 F565	H490-L563 WeakPolarHBondContact CB-O 3.43Å; A552-L563 HydrophobicContact CB-CD2 3.68Å; L563-F565 HydrophobicContact CD2-CE1 3.97Å; L563-F565 HydrophobicContact CD2-CZ 3.85Å
564	Q	81.1	Confident	73.5	Confident	9 Å²	9	71.7 Å²	71.7	4%	0.042	35%	0.345	C	S	.	.			trans	-118.7	26.9	-178	176.8	155	101.8	0	0	111.4	H490 Q491 H527 L529 I550 M551	H490-Q564 HydrophobicContact CB-CB 4.18Å; Q491-Q564 VanDerWaalsContact CD-NE2 3.27Å; H527-Q564 HydrophobicContact CB-CG 3.85Å; H527-Q564 WeakPolarHBondContact CD2-CG 3.44Å; H527-Q564 PolarHBondContact CD2-O 2.95Å; H527-Q564 PolarHBondContact CE1-OE1 3.41Å; L529-Q564 PolarHBondContact O-NE2 3.21Å; I550-Q564 PolarHBondContact O-OE1 3.14Å; M551-Q564 HydrophobicContact CE-CB 4.38Å; M551-Q564 HydrophobicContact CE-CG 4.3Å; M551-Q564 WeakPolarHBondContact CE-O 3.35Å; M551-Q564 PolarHBondContact O-N 3.27Å; M551-Q564 HydrophobicContact SD-CG 4.48Å
565	F	80.6	Confident	71.6	Confident	29 Å²	29	67.6 Å²	67.6	13%	0.127	33%	0.332	C	S	.	.	S	Bend	trans	-145.6	161.7	176.1	57.4	-92.1	0	0	0	110.7	L515 V523 M524 M551 A552 L563	L515-F565 HydrophobicContact CD1-CE1 4.02Å; L515-F565 HydrophobicContact CD1-CE2 4.12Å; L515-F565 HydrophobicContact CD1-CZ 3.81Å; L515-F565 HydrophobicContact CD2-CD1 4.06Å; L515-F565 HydrophobicContact CD2-CE1 4.07Å; V523-F565 HydrophobicContact CB-CB 3.92Å; V523-F565 HydrophobicContact CB-CD2 3.82Å; V523-F565 HydrophobicContact CB-CG 4.09Å; V523-F565 HydrophobicContact CG1-CD2 3.65Å; V523-F565 HydrophobicContact CG1-CE2 4.08Å; V523-F565 HydrophobicContact CG1-CG 4.29Å; V523-F565 HydrophobicContact CG2-CB 3.65Å; V523-F565 HydrophobicContact CG2-CD2 4.13Å; V523-F565 HydrophobicContact CG2-CG 3.91Å; M524-F565 CarbonylContact O-C 3.6Å; M524-F565 WeakPolarHBondContact O-CA 3.45Å; M551-F565 HydrophobicContact CB-CD1 3.92Å; M551-F565 HydrophobicContact CB-CE1 4.23Å; M551-F565 HydrophobicContact CE-CB 3.72Å; M551-F565 HydrophobicContact CE-CD1 4.03Å; M551-F565 HydrophobicContact CE-CG 4.37Å; M551-F565 WeakPolarHBondContact O-CD1 3.3Å; M551-F565 WeakPolarHBondContact O-CE1 3.31Å; A552-F565 HydrophobicContact CB-CE1 4.17Å; L563-F565 HydrophobicContact CD2-CE1 3.97Å; L563-F565 HydrophobicContact CD2-CZ 3.85Å
566	H	69.4	Low	69.5	Low	63 Å²	63	67.8 Å²	67.8	29%	0.292	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-118.5	97.5	-177.4	-68	-90.6	0	0	0	109.2	M524 Y526 E568 S569 T572	M524-H566 PolarHBondContact N-O 3.13Å; M524-H566 PolarHBondContact O-N 3.32Å; Y526-H566 HydrophobicContact CD2-CB 4.28Å; Y526-H566 AromaticContact CD2-CD2 3.41Å; Y526-H566 VanDerWaalsContact CD2-CD2 3.41Å; Y526-H566 WeakPolarHBondContact CD2-CD2 3.23Å; Y526-H566 AromaticContact CD2-CG 3.99Å; Y526-H566 HydrophobicContact CE2-CB 4.23Å; H566-E568 VanDerWaalsContact C-OE2 3.24Å; H566-E568 VanDerWaalsContact CA-OE2 3.22Å; H566-E568 WeakPolarHBondContact CA-OE2 3.22Å; H566-E568 WeakPolarHBondContact CB-OE2 3.49Å; H566-E568 IonicContact CE1-OE1 3.78Å; H566-E568 IonicContact CG-OE1 3.76Å; H566-E568 IonicContact ND1-OE1 3.6Å; H566-E568 PolarHBondContact ND1-OE1 3.24Å; H566-E568 IonicContact ND1-OE2 3.58Å; H566-E568 PolarHBondContact O-N 3.43Å; H566-S569 WeakPolarHBondContact CB-OG 3.46Å; H566-T572 WeakPolarHBondContact O-CG2 3.41Å
567	P	59.1	Low	67.9	Low	34 Å²	34	62.6 Å²	62.6	22%	0.221	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-10.8	174.5	30	-35.9	0	0	0	113	T572 D574	P567-T572 WeakPolarHBondContact O-CB 3.24Å; P567-T572 PolarHBondContact O-OG1 3.5Å; P567-D574 WeakPolarHBondContact O-CB 3.26Å
568	E	52.1	Low	66.2	Low	69 Å²	69	62.7 Å²	62.7	32%	0.322	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	2	-174.8	81.4	-75.5	-180	0	0	115.4	H566 D574 G575 R579	H566-E568 VanDerWaalsContact C-OE2 3.24Å; H566-E568 VanDerWaalsContact CA-OE2 3.22Å; H566-E568 WeakPolarHBondContact CA-OE2 3.22Å; H566-E568 WeakPolarHBondContact CB-OE2 3.49Å; H566-E568 IonicContact CE1-OE1 3.78Å; H566-E568 IonicContact CG-OE1 3.76Å; H566-E568 IonicContact ND1-OE1 3.6Å; H566-E568 PolarHBondContact ND1-OE1 3.24Å; H566-E568 IonicContact ND1-OE2 3.58Å; H566-E568 PolarHBondContact O-N 3.43Å; E568-D574 CarbonylContact C-O 3.5Å; E568-D574 WeakPolarHBondContact CA-O 3.2Å; E568-G575 WeakPolarHBondContact O-CA 3.39Å; E568-R579 VanDerWaalsContact CG-NH2 3.3Å; E568-R579 PolarHBondContact O-NH2 2.83Å
569	S	56	Low	64.8	Low	10 Å²	10	63 Å²	63	7%	0.07	32%	0.317	C	S	.	.	S	Bend	trans	-74	157.5	-175.2	-64.9	0	0	0	0	113.2	M524 Y526 H566 G571 T572 G575	M524-S569 VanDerWaalsContact CB-CB 3.49Å; Y526-S569 WeakPolarHBondContact CE2-OG 3.31Å; H566-S569 WeakPolarHBondContact CB-OG 3.46Å; S569-G571 PolarHBondContact O-N 2.83Å; S569-T572 PolarHBondContact N-OG1 3.06Å; S569-T572 PolarHBondContact O-N 3.15Å; S569-T572 PolarHBondContact O-OG1 2.92Å; S569-G575 VanDerWaalsContact O-CA 3.26Å; S569-G575 WeakPolarHBondContact O-CA 3.38Å
570	I	53.4	Low	64	Low	60 Å²	60	59.5 Å²	59.5	31%	0.308	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-25	-178.7	-165	175.6	0	0	0	114.5	I577 L583 V591 L608	I570-I577 HydrophobicContact CD1-CB 4.47Å; I570-I577 HydrophobicContact CD1-CD1 3.36Å; I570-I577 HydrophobicContact CD1-CG1 3.74Å; I570-L583 HydrophobicContact CD1-CD1 4.17Å; I570-L583 HydrophobicContact CD1-CD2 4.22Å; I570-V591 HydrophobicContact CD1-CG2 4.44Å; I570-L608 HydrophobicContact CD1-CD1 4.32Å
571	G	56	Low	63.5	Low	22 Å²	22	61.8 Å²	61.8	23%	0.227	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	7.4	175.8	0	0	0	0	0	114.8	Q512 S569	Q512-G571 PolarHBondContact NE2-O 2.86Å; S569-G571 PolarHBondContact O-N 2.83Å
572	T	61.2	Low	63.5	Low	17 Å²	17	60.2 Å²	60.2	10%	0.104	31%	0.31	C	S	.	.	S	Bend	trans	-114.4	174.3	172.5	65	0	0	0	0	109.4	M524 H566 P567 S569 D574	M524-T572 HydrophobicContact CB-CG2 4.23Å; M524-T572 HydrophobicContact CG-CG2 3.68Å; H566-T572 WeakPolarHBondContact O-CG2 3.41Å; P567-T572 WeakPolarHBondContact O-CB 3.24Å; P567-T572 PolarHBondContact O-OG1 3.5Å; S569-T572 PolarHBondContact N-OG1 3.06Å; S569-T572 PolarHBondContact O-N 3.15Å; S569-T572 PolarHBondContact O-OG1 2.92Å; T572-D574 PolarHBondContact O-N 2.87Å
573	E	55.5	Low	63.6	Low	161 Å²	161	60.3 Å²	60.3	75%	0.752	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-13.8	179.6	-66.3	167.2	165	0	0	113	R521	R521-E573 IonicContact NE-OE2 2.74Å
574	D	55.4	Low	63.8	Low	75 Å²	75	58.8 Å²	58.8	40%	0.401	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	34.4	-169.4	-55.8	-36.8	0	0	0	115.1	R521 P567 E568 T572 R579	R521-D574 IonicContact CZ-OD2 2.94Å; R521-D574 IonicContact NH1-OD2 3.6Å; R521-D574 IonicContact NH2-OD1 3.24Å; R521-D574 IonicContact NH2-OD2 3.23Å; R521-D574 PolarHBondContact NH2-OD2 2.88Å; P567-D574 WeakPolarHBondContact O-CB 3.26Å; E568-D574 CarbonylContact C-O 3.5Å; E568-D574 WeakPolarHBondContact CA-O 3.2Å; T572-D574 PolarHBondContact O-N 2.87Å; D574-R579 PolarHBondContact O-NH1 3.13Å
575	G	51.2	Low	64.3	Low	9 Å²	9	60.8 Å²	60.8	9%	0.093	32%	0.316	C	S	.	.			trans	-68.4	155.7	-162.9	0	0	0	0	0	123.4	E568 S569 Y578	E568-G575 WeakPolarHBondContact O-CA 3.39Å; S569-G575 VanDerWaalsContact O-CA 3.26Å; S569-G575 WeakPolarHBondContact O-CA 3.38Å; G575-Y578 PolarHBondContact O-N 3.08Å
576	A	50.1	Low	64.8	Low	18 Å²	18	62.3 Å²	62.3	15%	0.149	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-67.7	-31.8	-167.9	0	0	0	0	0	118.9	Y578 R579 G580 N581	A576-Y578 PolarHBondContact O-N 3.32Å; A576-R579 CarbonylContact O-C 3.56Å; A576-R579 WeakPolarHBondContact O-CA 3.32Å; A576-R579 WeakPolarHBondContact O-CB 3.31Å; A576-R579 PolarHBondContact O-N 3.08Å; A576-G580 PolarHBondContact O-N 2.98Å; A576-N581 HydrophobicContact CB-CB 4.36Å; A576-N581 PolarHBondContact O-N 2.74Å
577	I	55.4	Low	65.8	Low	19 Å²	19	61.2 Å²	61.2	10%	0.097	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-62.4	-34	177.6	-69.5	-176.7	0	0	0	110.7	I570 R579 G580 L583 L608 L612	I570-I577 HydrophobicContact CD1-CB 4.47Å; I570-I577 HydrophobicContact CD1-CD1 3.36Å; I570-I577 HydrophobicContact CD1-CG1 3.74Å; I577-R579 PolarHBondContact O-N 3Å; I577-G580 PolarHBondContact O-N 3.21Å; I577-G580 VanDerWaalsContact O-N 3.14Å; I577-L583 HydrophobicContact CD1-CD1 3.95Å; I577-L583 HydrophobicContact CD1-CG 4.33Å; I577-L583 HydrophobicContact CG1-CD1 4.46Å; I577-L583 HydrophobicContact CG1-CD2 4.28Å; I577-L583 HydrophobicContact CG1-CG 4.33Å; I577-L608 HydrophobicContact CD1-CD1 3.16Å; I577-L612 HydrophobicContact CD1-CD2 4.1Å; I577-L612 HydrophobicContact CD1-CG 4.25Å
578	Y	50.8	Low	67.5	Low	205 Å²	205	59.7 Å²	59.7	80%	0.804	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-66.1	-20.6	173.3	-80.3	-81.8	0	0	0	113.3	G575 A576	G575-Y578 PolarHBondContact O-N 3.08Å; A576-Y578 PolarHBondContact O-N 3.32Å
579	R	53.5	Low	69.5	Low	126 Å²	126	59 Å²	59	48%	0.475	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-93	-2.6	174.6	-67.8	-165	-69.9	-87.8	-6.6	114.1	E568 D574 A576 I577	E568-R579 VanDerWaalsContact CG-NH2 3.3Å; E568-R579 PolarHBondContact O-NH2 2.83Å; D574-R579 PolarHBondContact O-NH1 3.13Å; A576-R579 CarbonylContact O-C 3.56Å; A576-R579 WeakPolarHBondContact O-CA 3.32Å; A576-R579 WeakPolarHBondContact O-CB 3.31Å; A576-R579 PolarHBondContact O-N 3.08Å; I577-R579 PolarHBondContact O-N 3Å
580	G	64.1	Low	71.2	Confident	43 Å²	43	61.4 Å²	61.4	44%	0.443	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	17.2	-179.4	0	0	0	0	0	115.7	A576 I577 K615	A576-G580 PolarHBondContact O-N 2.98Å; I577-G580 PolarHBondContact O-N 3.21Å; I577-G580 VanDerWaalsContact O-N 3.14Å; G580-K615 VanDerWaalsContact C-CD 3.45Å; G580-K615 WeakPolarHBondContact O-CD 3.43Å
581	N	71.8	Confident	73	Confident	90 Å²	90	59.4 Å²	59.4	48%	0.481	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-88.5	146.3	176.7	-68.4	-17.2	0	0	0	112.4	A576 K615	A576-N581 HydrophobicContact CB-CB 4.36Å; A576-N581 PolarHBondContact O-N 2.74Å; N581-K615 VanDerWaalsContact C-CD 3.47Å; N581-K615 WeakPolarHBondContact O-CD 3.33Å; N581-K615 VanDerWaalsContact O-CE 3.29Å; N581-K615 WeakPolarHBondContact O-CE 3.44Å
582	D	86.2	Confident	74.7	Confident	99 Å²	99	58.3 Å²	58.3	53%	0.529	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-72.6	141.2	174	-61.9	-24.7	0	0	0	112	K615 A618 E621	D582-K615 IonicContact OD1-NZ 2.91Å; D582-K615 PolarHBondContact OD1-NZ 3.45Å; D582-A618 HydrophobicContact CB-CB 3.95Å; D582-A618 VanDerWaalsContact CG-CB 3.5Å; D582-A618 WeakPolarHBondContact OD2-CB 3.49Å; D582-E621 WeakPolarHBondContact CA-OE1 3.06Å
583	L	87	Confident	76.2	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.021	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-80	140.7	169.3	-55.6	177.3	0	0	0	110.9	I570 I577 E587 M588 V591 E621	I570-L583 HydrophobicContact CD1-CD1 4.17Å; I570-L583 HydrophobicContact CD1-CD2 4.22Å; I577-L583 HydrophobicContact CD1-CD1 3.95Å; I577-L583 HydrophobicContact CD1-CG 4.33Å; I577-L583 HydrophobicContact CG1-CD1 4.46Å; I577-L583 HydrophobicContact CG1-CD2 4.28Å; I577-L583 HydrophobicContact CG1-CG 4.33Å; L583-E587 HydrophobicContact CB-CB 4.14Å; L583-E587 HydrophobicContact CD2-CB 4.48Å; L583-M588 HydrophobicContact CB-CB 4.31Å; L583-M588 HydrophobicContact CD1-SD 3.73Å; L583-V591 HydrophobicContact CD1-CG2 4.14Å; L583-E621 HydrophobicContact CB-CG 4.02Å; L583-E621 PolarHBondContact N-OE1 3.02Å; L583-E621 VanDerWaalsContact O-CG 3.32Å; L583-E621 WeakPolarHBondContact O-CG 3.43Å
584	T	91	Very high	77.9	Confident	73 Å²	73	55.3 Å²	55.3	45%	0.448	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-66.4	163	170.3	62.2	0	0	0	0	111.5	S586 E587 M588	T584-S586 PolarHBondContact O-N 3.46Å; T584-E587 WeakPolarHBondContact CB-OE2 3.47Å; T584-E587 WeakPolarHBondContact CG2-OE2 3.32Å; T584-E587 PolarHBondContact N-OE2 2.78Å; T584-E587 PolarHBondContact O-N 3.11Å; T584-E587 VanDerWaalsContact O-N 3.16Å; T584-E587 WeakPolarHBondContact OG1-CB 3.36Å; T584-E587 VanDerWaalsContact OG1-CD 3.31Å; T584-E587 VanDerWaalsContact OG1-CG 3.26Å; T584-E587 WeakPolarHBondContact OG1-CG 3.18Å; T584-E587 PolarHBondContact OG1-N 2.8Å; T584-E587 PolarHBondContact OG1-OE2 3.49Å; T584-M588 PolarHBondContact O-N 3.13Å
585	I	91.2	Very high	79.7	Confident	51 Å²	51	51.9 Å²	51.9	26%	0.262	27%	0.268	S	S	.	.	H	α-helix	trans	-51.5	-45.8	174.3	-65.4	173.2	0	0	0	110.5	M588 Q589 A620 T623	I585-M588 PolarHBondContact O-N 2.96Å; I585-Q589 HydrophobicContact CG2-CG 4.39Å; I585-Q589 WeakPolarHBondContact O-CB 3.45Å; I585-Q589 WeakPolarHBondContact O-CG 3.45Å; I585-Q589 PolarHBondContact O-N 3.49Å; I585-A620 WeakPolarHBondContact CA-O 3.48Å; I585-A620 HydrophobicContact CG1-CB 3.78Å; I585-A620 WeakPolarHBondContact CG1-O 3.26Å; I585-T623 HydrophobicContact CD1-CG2 3.88Å; I585-T623 HydrophobicContact CG1-CG2 4.21Å; I585-T623 HydrophobicContact CG2-CG2 4.27Å
586	S	91.3	Very high	81.6	Confident	61 Å²	61	52.3 Å²	52.3	43%	0.427	27%	0.268	S	S	.	.	H	α-helix	trans	-65.2	-43.3	-179	-179	0	0	0	0	112.4	T584 Q589 Q590	T584-S586 PolarHBondContact O-N 3.46Å; S586-Q589 WeakPolarHBondContact O-CB 3.16Å; S586-Q589 PolarHBondContact O-N 2.82Å; S586-Q590 WeakPolarHBondContact O-CG 3.38Å; S586-Q590 PolarHBondContact O-N 3.3Å
587	E	90.2	Very high	83.4	Confident	40 Å²	40	56 Å²	56	19%	0.187	28%	0.282	C	S	.	.	H	α-helix	trans	-66.5	-43.5	177.8	-72.1	166.4	138.6	0	0	111.1	Y526 L583 T584 Q589 Q590 V591	Y526-E587 PolarHBondContact OH-OE1 2.73Å; L583-E587 HydrophobicContact CB-CB 4.14Å; L583-E587 HydrophobicContact CD2-CB 4.48Å; T584-E587 WeakPolarHBondContact CB-OE2 3.47Å; T584-E587 WeakPolarHBondContact CG2-OE2 3.32Å; T584-E587 PolarHBondContact N-OE2 2.78Å; T584-E587 PolarHBondContact O-N 3.11Å; T584-E587 VanDerWaalsContact O-N 3.16Å; T584-E587 WeakPolarHBondContact OG1-CB 3.36Å; T584-E587 VanDerWaalsContact OG1-CD 3.31Å; T584-E587 VanDerWaalsContact OG1-CG 3.26Å; T584-E587 WeakPolarHBondContact OG1-CG 3.18Å; T584-E587 PolarHBondContact OG1-N 2.8Å; T584-E587 PolarHBondContact OG1-OE2 3.49Å; E587-Q589 VanDerWaalsContact C-N 3.28Å; E587-Q589 PolarHBondContact O-N 2.89Å; E587-Q590 WeakPolarHBondContact O-CB 3.29Å; E587-Q590 PolarHBondContact O-N 2.83Å; E587-Q590 VanDerWaalsContact O-N 3.09Å; E587-V591 WeakPolarHBondContact O-CG2 3.43Å; E587-V591 PolarHBondContact O-N 3.07Å
588	M	94.3	Very high	84.8	Confident	1 Å²	1	63 Å²	63	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-68.7	-28.8	176.8	-165.1	57.8	-168.8	0	0	112.4	L583 T584 I585 V591 G592 L612 E621 L625 I742	L583-M588 HydrophobicContact CB-CB 4.31Å; L583-M588 HydrophobicContact CD1-SD 3.73Å; T584-M588 PolarHBondContact O-N 3.13Å; I585-M588 PolarHBondContact O-N 2.96Å; M588-V591 HydrophobicContact CE-CG1 4.32Å; M588-V591 HydrophobicContact SD-CB 4.07Å; M588-V591 HydrophobicContact SD-CG1 4.02Å; M588-G592 PolarHBondContact O-N 3.4Å; M588-L612 HydrophobicContact CE-CD1 3.94Å; M588-L612 HydrophobicContact SD-CD1 4.44Å; M588-E621 HydrophobicContact CB-CB 4.45Å; M588-E621 HydrophobicContact CG-CB 4.09Å; M588-E621 WeakPolarHBondContact CG-O 3.47Å; M588-L625 HydrophobicContact CE-CB 4.05Å; M588-L625 HydrophobicContact CE-CD1 4.2Å; M588-L625 HydrophobicContact CE-CD2 3.92Å; M588-L625 HydrophobicContact CE-CG 4.28Å; M588-L625 HydrophobicContact CG-CB 4.23Å; M588-I742 HydrophobicContact CE-CD1 4.24Å
589	Q	94.7	Very high	86.5	Confident	54 Å²	54	59.2 Å²	59.2	25%	0.252	30%	0.304	S	S	.	.	H	α-helix	trans	-64.6	-41.1	168.3	-77	174.1	-9	0	0	112.1	I585 S586 E587 G592 K593 G624 V628	I585-Q589 HydrophobicContact CG2-CG 4.39Å; I585-Q589 WeakPolarHBondContact O-CB 3.45Å; I585-Q589 WeakPolarHBondContact O-CG 3.45Å; I585-Q589 PolarHBondContact O-N 3.49Å; S586-Q589 WeakPolarHBondContact O-CB 3.16Å; S586-Q589 PolarHBondContact O-N 2.82Å; E587-Q589 VanDerWaalsContact C-N 3.28Å; E587-Q589 PolarHBondContact O-N 2.89Å; Q589-G592 PolarHBondContact O-N 2.98Å; Q589-K593 WeakPolarHBondContact O-CB 3.08Å; Q589-K593 VanDerWaalsContact O-CG 3.31Å; Q589-K593 WeakPolarHBondContact O-CG 3.21Å; Q589-K593 PolarHBondContact O-N 3.45Å; Q589-G624 WeakPolarHBondContact CG-O 3.33Å; Q589-V628 HydrophobicContact CB-CG2 3.87Å; Q589-V628 HydrophobicContact CG-CG2 3.96Å; Q589-V628 WeakPolarHBondContact O-CG2 3.37Å
590	Q	91.1	Very high	88	Confident	62 Å²	62	55.5 Å²	55.5	29%	0.29	29%	0.293	S	S	.	.	H	α-helix	trans	-64.4	-45.7	176.2	-71.5	175.2	-10.1	0	0	111	H509 G510 S586 E587 K593 A594	H509-Q590 PolarHBondContact O-NE2 3.49Å; G510-Q590 PolarHBondContact O-OE1 3.2Å; S586-Q590 WeakPolarHBondContact O-CG 3.38Å; S586-Q590 PolarHBondContact O-N 3.3Å; E587-Q590 WeakPolarHBondContact O-CB 3.29Å; E587-Q590 PolarHBondContact O-N 2.83Å; E587-Q590 VanDerWaalsContact O-N 3.09Å; Q590-K593 PolarHBondContact O-N 3.11Å; Q590-A594 WeakPolarHBondContact O-CB 3.17Å; Q590-A594 PolarHBondContact O-N 3.3Å
591	V	90.6	Very high	89	Confident	17 Å²	17	57.2 Å²	57.2	10%	0.103	30%	0.295	C	S	.	.	H	α-helix	trans	-59.4	-48.6	174.2	171.7	0	0	0	0	110.7	I570 L583 E587 M588 K593 A594 I595 L608	I570-V591 HydrophobicContact CD1-CG2 4.44Å; L583-V591 HydrophobicContact CD1-CG2 4.14Å; E587-V591 WeakPolarHBondContact O-CG2 3.43Å; E587-V591 PolarHBondContact O-N 3.07Å; M588-V591 HydrophobicContact CE-CG1 4.32Å; M588-V591 HydrophobicContact SD-CB 4.07Å; M588-V591 HydrophobicContact SD-CG1 4.02Å; V591-K593 VanDerWaalsContact C-N 3.34Å; V591-K593 PolarHBondContact O-N 3.04Å; V591-A594 PolarHBondContact O-N 2.94Å; V591-A594 VanDerWaalsContact O-N 3.15Å; V591-I595 HydrophobicContact CG1-CD1 4.08Å; V591-I595 HydrophobicContact CG1-CG1 4.48Å; V591-I595 VanDerWaalsContact O-CG1 3.31Å; V591-I595 WeakPolarHBondContact O-CG1 3.46Å; V591-I595 PolarHBondContact O-N 3.46Å; V591-L608 HydrophobicContact CG1-CD1 4.18Å; V591-L608 HydrophobicContact CG1-CD2 3.25Å; V591-L608 HydrophobicContact CG1-CG 4.35Å
592	G	92.9	Very high	89.7	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-57.9	-43.2	176.9	0	0	0	0	0	112.9	M588 Q589 I595 F596	M588-G592 PolarHBondContact O-N 3.4Å; Q589-G592 PolarHBondContact O-N 2.98Å; G592-I595 PolarHBondContact O-N 2.97Å; G592-F596 WeakPolarHBondContact O-CD2 3.29Å; G592-F596 PolarHBondContact O-N 3.3Å
593	K	93	Very high	89.3	Confident	101 Å²	101	56.1 Å²	56.1	44%	0.439	30%	0.296	S	S	.	.	H	α-helix	trans	-62	-45.9	174.6	-74.3	173.1	-175.4	177.1	0	111.3	Q589 Q590 V591 I595 F596 E597 V628	Q589-K593 WeakPolarHBondContact O-CB 3.08Å; Q589-K593 VanDerWaalsContact O-CG 3.31Å; Q589-K593 WeakPolarHBondContact O-CG 3.21Å; Q589-K593 PolarHBondContact O-N 3.45Å; Q590-K593 PolarHBondContact O-N 3.11Å; V591-K593 VanDerWaalsContact C-N 3.34Å; V591-K593 PolarHBondContact O-N 3.04Å; K593-I595 VanDerWaalsContact C-N 3.31Å; K593-I595 PolarHBondContact O-N 3.11Å; K593-F596 CarbonylContact O-C 3.53Å; K593-F596 PolarHBondContact O-N 3.18Å; K593-E597 WeakPolarHBondContact O-CB 2.9Å; K593-E597 VanDerWaalsContact O-CG 3.26Å; K593-E597 WeakPolarHBondContact O-CG 2.99Å; K593-E597 PolarHBondContact O-N 3.42Å; K593-V628 HydrophobicContact CG-CG1 4.08Å; K593-V628 HydrophobicContact CG-CG2 4.17Å
594	A	91.1	Very high	89.2	Confident	13 Å²	13	60.6 Å²	60.6	11%	0.107	32%	0.317	C	S	.	.	H	α-helix	trans	-61.5	-37.7	178.1	0	0	0	0	0	112.5	Q590 V591 E598 Q599 L600	Q590-A594 WeakPolarHBondContact O-CB 3.17Å; Q590-A594 PolarHBondContact O-N 3.3Å; V591-A594 PolarHBondContact O-N 2.94Å; V591-A594 VanDerWaalsContact O-N 3.15Å; A594-E598 PolarHBondContact O-N 2.69Å; A594-Q599 HydrophobicContact CB-CB 4.12Å; A594-Q599 PolarHBondContact O-N 2.96Å; A594-L600 HydrophobicContact CB-CD1 4.15Å; A594-L600 HydrophobicContact CB-CD2 4.18Å; A594-L600 HydrophobicContact CB-CG 3.84Å; A594-L600 PolarHBondContact O-N 2.53Å
595	I	91.7	Very high	89.1	Confident	3 Å²	3	57.4 Å²	57.4	2%	0.015	30%	0.297	C	S	.	.	H	α-helix	trans	-60.2	-55.3	172.2	-65.8	168.8	0	0	0	110.4	V591 G592 K593 E597 E598 L600 I605 L608 V730	V591-I595 HydrophobicContact CG1-CD1 4.08Å; V591-I595 HydrophobicContact CG1-CG1 4.48Å; V591-I595 VanDerWaalsContact O-CG1 3.31Å; V591-I595 WeakPolarHBondContact O-CG1 3.46Å; V591-I595 PolarHBondContact O-N 3.46Å; G592-I595 PolarHBondContact O-N 2.97Å; K593-I595 VanDerWaalsContact C-N 3.31Å; K593-I595 PolarHBondContact O-N 3.11Å; I595-E597 VanDerWaalsContact C-N 3.31Å; I595-E597 PolarHBondContact O-N 3.46Å; I595-E598 PolarHBondContact O-N 2.83Å; I595-L600 HydrophobicContact CG1-CD1 3.8Å; I595-I605 HydrophobicContact CG1-CG1 4.29Å; I595-I605 HydrophobicContact CG2-CD1 4.22Å; I595-L608 HydrophobicContact CD1-CD2 3.75Å; I595-L608 HydrophobicContact CG1-CD2 4.4Å; I595-V730 HydrophobicContact CG2-CG1 3.39Å
596	F	90.8	Very high	88.8	Confident	19 Å²	19	56.2 Å²	56.2	8%	0.083	29%	0.293	C	S	.	.	H	α-helix	trans	-84.5	-0.9	-171.6	-62.3	-58.4	0	0	0	114.7	G592 K593 L625 V628 M629 K632 A726 A729 V730 F743	G592-F596 WeakPolarHBondContact O-CD2 3.29Å; G592-F596 PolarHBondContact O-N 3.3Å; K593-F596 CarbonylContact O-C 3.53Å; K593-F596 PolarHBondContact O-N 3.18Å; F596-L625 HydrophobicContact CE2-CD1 3.91Å; F596-L625 HydrophobicContact CZ-CD1 4.46Å; F596-V628 HydrophobicContact CD2-CG1 3.79Å; F596-V628 HydrophobicContact CE2-CG1 4.25Å; F596-M629 HydrophobicContact CE2-CG 3.52Å; F596-M629 HydrophobicContact CE2-SD 4.41Å; F596-M629 HydrophobicContact CZ-CE 4.47Å; F596-M629 HydrophobicContact CZ-CG 3.55Å; F596-M629 HydrophobicContact CZ-SD 3.84Å; F596-K632 HydrophobicContact CB-CD 3.61Å; F596-K632 HydrophobicContact CD2-CD 4.3Å; F596-K632 HydrophobicContact CG-CD 4.18Å; F596-K632 PolarHBondContact O-NZ 2.9Å; F596-A726 HydrophobicContact CD1-CB 4.05Å; F596-A726 VanDerWaalsContact CD1-O 3.31Å; F596-A726 WeakPolarHBondContact CD1-O 3.21Å; F596-A726 HydrophobicContact CE1-CB 4.46Å; F596-A726 WeakPolarHBondContact CE1-O 3.32Å; F596-A726 HydrophobicContact CG-CB 4.41Å; F596-A729 HydrophobicContact CD1-CB 4.35Å; F596-V730 HydrophobicContact CE1-CG1 4.49Å; F596-F743 HydrophobicContact CE1-CE1 4.41Å; F596-F743 AromaticContact CZ-CE1 3.79Å; F596-F743 HydrophobicContact CZ-CE1 3.79Å; F596-F743 HydrophobicContact CZ-CZ 4.16Å
597	E	88.3	Confident	88.2	Confident	96 Å²	96	55.5 Å²	55.5	45%	0.449	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	12.1	170	-66.2	171.4	-171.4	0	0	111.1	K593 I595 Q599 K632	K593-E597 WeakPolarHBondContact O-CB 2.9Å; K593-E597 VanDerWaalsContact O-CG 3.26Å; K593-E597 WeakPolarHBondContact O-CG 2.99Å; K593-E597 PolarHBondContact O-N 3.42Å; I595-E597 VanDerWaalsContact C-N 3.31Å; I595-E597 PolarHBondContact O-N 3.46Å; E597-Q599 HydrophobicContact CB-CG 4.2Å; E597-Q599 PolarHBondContact O-N 2.75Å; E597-Q599 PolarHBondContact OE2-NE2 3.18Å; E597-Q599 VanDerWaalsContact OE2-NE2 3.07Å; E597-K632 IonicContact OE1-NZ 2.97Å
598	E	85.4	Confident	88.1	Confident	164 Å²	164	54.2 Å²	54.2	77%	0.766	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	33.9	177	-58.9	178.9	-171.7	0	0	112.8	A594 I595	A594-E598 PolarHBondContact O-N 2.69Å; I595-E598 PolarHBondContact O-N 2.83Å
599	Q	86.8	Confident	87.9	Confident	127 Å²	127	54.2 Å²	54.2	59%	0.593	29%	0.285	S	S	*	.			trans	-88	-12.9	176	-64.5	171.1	7.8	0	0	112.4	A594 E597	A594-Q599 HydrophobicContact CB-CB 4.12Å; A594-Q599 PolarHBondContact O-N 2.96Å; E597-Q599 HydrophobicContact CB-CG 4.2Å; E597-Q599 PolarHBondContact O-N 2.75Å; E597-Q599 PolarHBondContact OE2-NE2 3.18Å; E597-Q599 VanDerWaalsContact OE2-NE2 3.07Å
600	L	85.3	Confident	87.2	Confident	48 Å²	48	54.3 Å²	54.3	25%	0.251	29%	0.289	S	S	.	.	S	Bend	trans	-108.9	143.6	175	-57.8	-175.8	0	0	0	110.5	A594 I595 Q604 I605	A594-L600 HydrophobicContact CB-CD1 4.15Å; A594-L600 HydrophobicContact CB-CD2 4.18Å; A594-L600 HydrophobicContact CB-CG 3.84Å; A594-L600 PolarHBondContact O-N 2.53Å; I595-L600 HydrophobicContact CG1-CD1 3.8Å; L600-Q604 HydrophobicContact CB-CB 4.34Å; L600-I605 HydrophobicContact CB-CD1 4.21Å; L600-I605 HydrophobicContact CB-CG1 3.76Å; L600-I605 HydrophobicContact CD1-CG1 4.38Å
601	T	84.7	Confident	86.8	Confident	78 Å²	78	52.1 Å²	52.1	48%	0.479	28%	0.283	S	S	.	.			trans	-75.4	157.1	172.5	61.2	0	0	0	0	111.8	S603 Q604 I605	T601-S603 PolarHBondContact O-N 3.18Å; T601-S603 VanDerWaalsContact O-N 3.17Å; T601-Q604 WeakPolarHBondContact O-CB 3.48Å; T601-Q604 PolarHBondContact O-N 3.49Å; T601-Q604 VanDerWaalsContact OG1-CG 3.27Å; T601-Q604 WeakPolarHBondContact OG1-CG 3.3Å; T601-Q604 PolarHBondContact OG1-N 3.29Å; T601-Q604 PolarHBondContact OG1-OE1 3.26Å; T601-I605 WeakPolarHBondContact O-CG1 3.27Å; T601-I605 PolarHBondContact O-N 2.87Å
602	D	87	Confident	86.7	Confident	73 Å²	73	51.3 Å²	51.3	39%	0.39	28%	0.278	S	S	.	.	H	α-helix	trans	-52.7	-37.7	175.2	-69.8	-7.8	0	0	0	112.9	S606 H732 I733	D602-S606 VanDerWaalsContact O-CB 3.29Å; D602-S606 WeakPolarHBondContact O-CB 3.19Å; D602-S606 PolarHBondContact O-N 3.18Å; D602-S606 PolarHBondContact O-OG 3.49Å; D602-H732 IonicContact OD1-CE1 3.14Å; D602-H732 IonicContact OD1-NE2 3.39Å; D602-H732 PolarHBondContact OD1-NE2 3.5Å; D602-H732 IonicContact OD2-CD2 2.97Å; D602-H732 IonicContact OD2-NE2 2.7Å; D602-H732 PolarHBondContact OD2-NE2 3.21Å; D602-I733 HydrophobicContact CB-CD1 4.33Å; D602-I733 HydrophobicContact CB-CG1 4.27Å
603	S	76.9	Confident	86.2	Confident	93 Å²	93	55.6 Å²	55.6	65%	0.65	30%	0.297	S	S	*	.	H	α-helix	trans	-67.9	-40.1	176.2	-54.3	0	0	0	0	112.7	T601 S606 A607	T601-S603 PolarHBondContact O-N 3.18Å; T601-S603 VanDerWaalsContact O-N 3.17Å; S603-S606 PolarHBondContact O-N 3.15Å; S603-A607 WeakPolarHBondContact O-CB 3.28Å; S603-A607 PolarHBondContact O-N 2.76Å
604	Q	84.7	Confident	85.4	Confident	99 Å²	99	57.4 Å²	57.4	46%	0.463	31%	0.31	S	S	.	.	H	α-helix	trans	-67.4	-41.6	176.6	-74.9	167	-46.8	0	0	111.4	L600 T601 A607 L608	L600-Q604 HydrophobicContact CB-CB 4.34Å; T601-Q604 WeakPolarHBondContact O-CB 3.48Å; T601-Q604 PolarHBondContact O-N 3.49Å; T601-Q604 VanDerWaalsContact OG1-CG 3.27Å; T601-Q604 WeakPolarHBondContact OG1-CG 3.3Å; T601-Q604 PolarHBondContact OG1-N 3.29Å; T601-Q604 PolarHBondContact OG1-OE1 3.26Å; Q604-A607 PolarHBondContact O-N 2.84Å; Q604-L608 VanDerWaalsContact O-CB 3.29Å; Q604-L608 WeakPolarHBondContact O-CB 3.43Å; Q604-L608 PolarHBondContact O-N 2.73Å
605	I	90.1	Very high	85.1	Confident	6 Å²	6	59 Å²	59	3%	0.031	32%	0.315	C	S	.	.	H	α-helix	trans	-64.4	-44.9	175.3	-60.2	168.5	0	0	0	109.7	I595 L600 T601 A607 L608 L609 V730 I733	I595-I605 HydrophobicContact CG1-CG1 4.29Å; I595-I605 HydrophobicContact CG2-CD1 4.22Å; L600-I605 HydrophobicContact CB-CD1 4.21Å; L600-I605 HydrophobicContact CB-CG1 3.76Å; L600-I605 HydrophobicContact CD1-CG1 4.38Å; T601-I605 WeakPolarHBondContact O-CG1 3.27Å; T601-I605 PolarHBondContact O-N 2.87Å; I605-A607 PolarHBondContact O-N 3.16Å; I605-L608 WeakPolarHBondContact O-CB 3.23Å; I605-L608 PolarHBondContact O-N 2.91Å; I605-L609 HydrophobicContact CG2-CD1 3.91Å; I605-L609 HydrophobicContact CG2-CG 4.27Å; I605-L609 WeakPolarHBondContact O-CB 3.42Å; I605-L609 VanDerWaalsContact O-CG 3.23Å; I605-L609 WeakPolarHBondContact O-CG 3.33Å; I605-L609 PolarHBondContact O-N 3.05Å; I605-V730 HydrophobicContact CG2-CG1 4.43Å; I605-I733 HydrophobicContact CB-CD1 3.8Å; I605-I733 HydrophobicContact CD1-CD1 3.6Å; I605-I733 HydrophobicContact CG1-CD1 4.3Å; I605-I733 HydrophobicContact CG2-CD1 3.67Å; I605-I733 HydrophobicContact CG2-CG2 4.22Å
606	S	83.6	Confident	84.8	Confident	26 Å²	26	60.5 Å²	60.5	18%	0.182	33%	0.332	C	S	.	.	H	α-helix	trans	-57.1	-49.1	174.3	-71.8	0	0	0	0	112.2	D602 S603 L608 L609 V610 I733	D602-S606 VanDerWaalsContact O-CB 3.29Å; D602-S606 WeakPolarHBondContact O-CB 3.19Å; D602-S606 PolarHBondContact O-N 3.18Å; D602-S606 PolarHBondContact O-OG 3.49Å; S603-S606 PolarHBondContact O-N 3.15Å; S606-L608 PolarHBondContact O-N 2.87Å; S606-L609 PolarHBondContact O-N 3.19Å; S606-V610 WeakPolarHBondContact O-CB 3.37Å; S606-V610 VanDerWaalsContact O-CG2 3.31Å; S606-V610 WeakPolarHBondContact O-CG2 3.36Å; S606-V610 PolarHBondContact O-N 2.93Å; S606-I733 WeakPolarHBondContact OG-CG2 3.5Å
607	A	79	Confident	84.6	Confident	45 Å²	45	61.3 Å²	61.3	37%	0.372	34%	0.338	S	S	.	.	H	α-helix	trans	-62	-42.8	179.2	0	0	0	0	0	111.9	S603 Q604 I605 G611	S603-A607 WeakPolarHBondContact O-CB 3.28Å; S603-A607 PolarHBondContact O-N 2.76Å; Q604-A607 PolarHBondContact O-N 2.84Å; I605-A607 PolarHBondContact O-N 3.16Å; A607-G611 PolarHBondContact O-N 3.23Å
608	L	88.3	Confident	84.7	Confident	14 Å²	14	57.4 Å²	57.4	7%	0.073	32%	0.322	C	S	.	.	H	α-helix	trans	-58.7	-49.9	174.2	169.3	68.2	0	0	0	111.6	I570 I577 V591 I595 Q604 I605 S606 G611 L612	I570-L608 HydrophobicContact CD1-CD1 4.32Å; I577-L608 HydrophobicContact CD1-CD1 3.16Å; V591-L608 HydrophobicContact CG1-CD1 4.18Å; V591-L608 HydrophobicContact CG1-CD2 3.25Å; V591-L608 HydrophobicContact CG1-CG 4.35Å; I595-L608 HydrophobicContact CD1-CD2 3.75Å; I595-L608 HydrophobicContact CG1-CD2 4.4Å; Q604-L608 VanDerWaalsContact O-CB 3.29Å; Q604-L608 WeakPolarHBondContact O-CB 3.43Å; Q604-L608 PolarHBondContact O-N 2.73Å; I605-L608 WeakPolarHBondContact O-CB 3.23Å; I605-L608 PolarHBondContact O-N 2.91Å; S606-L608 PolarHBondContact O-N 2.87Å; L608-G611 PolarHBondContact O-N 3.16Å; L608-L612 HydrophobicContact CD1-CD1 3.93Å; L608-L612 HydrophobicContact CD1-CG 4.12Å; L608-L612 HydrophobicContact CG-CD1 4.15Å; L608-L612 WeakPolarHBondContact O-CB 3.49Å; L608-L612 WeakPolarHBondContact O-CG 3.38Å; L608-L612 PolarHBondContact O-N 2.85Å
609	L	89.6	Confident	85	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-66.3	-38.9	-177.2	-68.3	177.1	0	0	0	112.3	I605 S606 K613 I733 L737 T741 I742 F743	I605-L609 HydrophobicContact CG2-CD1 3.91Å; I605-L609 HydrophobicContact CG2-CG 4.27Å; I605-L609 WeakPolarHBondContact O-CB 3.42Å; I605-L609 VanDerWaalsContact O-CG 3.23Å; I605-L609 WeakPolarHBondContact O-CG 3.33Å; I605-L609 PolarHBondContact O-N 3.05Å; S606-L609 PolarHBondContact O-N 3.19Å; L609-K613 WeakPolarHBondContact O-CB 3.42Å; L609-K613 PolarHBondContact O-N 3.1Å; L609-K613 VanDerWaalsContact O-N 3.08Å; L609-I733 HydrophobicContact CD1-CG2 4.3Å; L609-L737 HydrophobicContact CB-CD1 3.98Å; L609-L737 HydrophobicContact CD1-CD1 3.85Å; L609-T741 HydrophobicContact CB-CG2 4.02Å; L609-T741 HydrophobicContact CD1-CG2 4.42Å; L609-I742 HydrophobicContact CD2-CG2 3.68Å; L609-F743 HydrophobicContact CD1-CD2 4.1Å; L609-F743 HydrophobicContact CD1-CE2 4.07Å; L609-F743 HydrophobicContact CD2-CD2 3.68Å; L609-F743 HydrophobicContact CD2-CE2 3.61Å; L609-F743 HydrophobicContact CG-CE2 4.41Å
610	V	80.8	Confident	85.3	Confident	55 Å²	55	45 Å²	45	33%	0.333	27%	0.269	S	S	.	.	H	α-helix	trans	-68.3	-43.1	173.9	172.7	0	0	0	0	110.6	S606 K613 I614 L737	S606-V610 WeakPolarHBondContact O-CB 3.37Å; S606-V610 VanDerWaalsContact O-CG2 3.31Å; S606-V610 WeakPolarHBondContact O-CG2 3.36Å; S606-V610 PolarHBondContact O-N 2.93Å; V610-K613 WeakPolarHBondContact O-CB 3.43Å; V610-K613 PolarHBondContact O-N 3.12Å; V610-I614 HydrophobicContact CG1-CD1 3.68Å; V610-I614 HydrophobicContact CG1-CG1 4.33Å; V610-I614 WeakPolarHBondContact O-CG1 3.32Å; V610-I614 PolarHBondContact O-N 2.69Å; V610-L737 HydrophobicContact CG2-CD2 3.81Å
611	G	83.3	Confident	85.7	Confident	16 Å²	16	42.7 Å²	42.7	17%	0.165	26%	0.257	C	S	.	.	H	α-helix	trans	-60.8	-47	177.3	0	0	0	0	0	112.8	A607 L608 K613 I614 K615	A607-G611 PolarHBondContact O-N 3.23Å; L608-G611 PolarHBondContact O-N 3.16Å; G611-K613 VanDerWaalsContact C-N 3.3Å; G611-K613 PolarHBondContact O-N 3.43Å; G611-I614 PolarHBondContact O-N 3.21Å; G611-K615 VanDerWaalsContact O-CB 3.28Å; G611-K615 WeakPolarHBondContact O-CB 3.21Å; G611-K615 PolarHBondContact O-N 3.14Å
612	L	88.3	Confident	86.1	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-38.5	173.9	-72.3	173.8	0	0	0	112	I577 M588 L608 G616 E621 I742	I577-L612 HydrophobicContact CD1-CD2 4.1Å; I577-L612 HydrophobicContact CD1-CG 4.25Å; M588-L612 HydrophobicContact CE-CD1 3.94Å; M588-L612 HydrophobicContact SD-CD1 4.44Å; L608-L612 HydrophobicContact CD1-CD1 3.93Å; L608-L612 HydrophobicContact CD1-CG 4.12Å; L608-L612 HydrophobicContact CG-CD1 4.15Å; L608-L612 WeakPolarHBondContact O-CB 3.49Å; L608-L612 WeakPolarHBondContact O-CG 3.38Å; L608-L612 PolarHBondContact O-N 2.85Å; L612-G616 CarbonylContact O-C 3.56Å; L612-G616 VanDerWaalsContact O-C 3.26Å; L612-G616 WeakPolarHBondContact O-CA 3.36Å; L612-G616 PolarHBondContact O-N 3.38Å; L612-E621 WeakPolarHBondContact CD2-OE1 3.37Å; L612-I742 HydrophobicContact CD1-CD1 4.34Å; L612-I742 HydrophobicContact CD1-CG2 4.32Å
613	K	81.9	Confident	86.5	Confident	90 Å²	90	35.6 Å²	35.6	39%	0.391	22%	0.216	S	C	.	.	H	α-helix	trans	-64.9	-46	176.7	-179.5	-180	-176.4	136.4	0	112.1	L609 V610 G611 G616 T739 P740	L609-K613 WeakPolarHBondContact O-CB 3.42Å; L609-K613 PolarHBondContact O-N 3.1Å; L609-K613 VanDerWaalsContact O-N 3.08Å; V610-K613 WeakPolarHBondContact O-CB 3.43Å; V610-K613 PolarHBondContact O-N 3.12Å; G611-K613 VanDerWaalsContact C-N 3.3Å; G611-K613 PolarHBondContact O-N 3.43Å; K613-G616 PolarHBondContact O-N 2.98Å; K613-T739 HydrophobicContact CD-CG2 4.09Å; K613-T739 PolarHBondContact NZ-OG1 3.11Å; K613-P740 WeakPolarHBondContact CD-O 3.5Å; K613-P740 PolarHBondContact NZ-O 2.84Å
614	I	76.1	Confident	87.4	Confident	140 Å²	140	31.2 Å²	31.2	72%	0.718	19%	0.185	S	C	*	.	H	α-helix	trans	-66	-41.9	179.9	-68.6	168.5	0	0	0	110.4	V610 G611	V610-I614 HydrophobicContact CG1-CD1 3.68Å; V610-I614 HydrophobicContact CG1-CG1 4.33Å; V610-I614 WeakPolarHBondContact O-CG1 3.32Å; V610-I614 PolarHBondContact O-N 2.69Å; G611-I614 PolarHBondContact O-N 3.21Å
615	K	85	Confident	87.9	Confident	45 Å²	45	26.5 Å²	26.5	20%	0.196	16%	0.163	C	C	.	.	H	α-helix	trans	-66.9	-35.6	177.7	-176.4	179.2	62.6	63.6	0	112.7	G580 N581 D582 G611 E621	G580-K615 VanDerWaalsContact C-CD 3.45Å; G580-K615 WeakPolarHBondContact O-CD 3.43Å; N581-K615 VanDerWaalsContact C-CD 3.47Å; N581-K615 WeakPolarHBondContact O-CD 3.33Å; N581-K615 VanDerWaalsContact O-CE 3.29Å; N581-K615 WeakPolarHBondContact O-CE 3.44Å; D582-K615 IonicContact OD1-NZ 2.91Å; D582-K615 PolarHBondContact OD1-NZ 3.45Å; G611-K615 VanDerWaalsContact O-CB 3.28Å; G611-K615 WeakPolarHBondContact O-CB 3.21Å; G611-K615 PolarHBondContact O-N 3.14Å; K615-E621 VanDerWaalsContact CE-OE1 3.26Å; K615-E621 WeakPolarHBondContact CE-OE1 3.5Å; K615-E621 IonicContact NZ-OE1 3.68Å; K615-E621 PolarHBondContact NZ-OE1 3.31Å; K615-E621 IonicContact NZ-OE2 3.5Å; K615-E621 PolarHBondContact NZ-OE2 3.1Å
616	G	84	Confident	88.1	Confident	36 Å²	36	26.2 Å²	26.2	37%	0.371	16%	0.162	S	C	.	.			trans	92.9	147.4	-160	0	0	0	0	0	110.7	L612 K613	L612-G616 CarbonylContact O-C 3.56Å; L612-G616 VanDerWaalsContact O-C 3.26Å; L612-G616 WeakPolarHBondContact O-CA 3.36Å; L612-G616 PolarHBondContact O-N 3.38Å; K613-G616 PolarHBondContact O-N 2.98Å
617	V	87.5	Confident	88.6	Confident	36 Å²	36	27.8 Å²	27.8	22%	0.218	17%	0.166	C	C	.	.			trans	-97.1	120.8	-176.3	176.9	0	0	0	0	109.9	E621 L622 I742	V617-E621 HydrophobicContact CG1-CB 4.44Å; V617-L622 HydrophobicContact CG1-CB 4.12Å; V617-L622 HydrophobicContact CG1-CD1 4.24Å; V617-I742 HydrophobicContact CG1-CD1 3.55Å; V617-I742 HydrophobicContact CG1-CG1 3.78Å; V617-I742 HydrophobicContact CG2-CB 4.07Å; V617-I742 HydrophobicContact CG2-CD1 4.34Å; V617-I742 HydrophobicContact CG2-CG1 4.19Å
618	A	90.7	Very high	89.3	Confident	13 Å²	13	26.2 Å²	26.2	11%	0.107	15%	0.152	C	C	.	.			trans	-83.4	153.5	175.8	0	0	0	0	0	112.2	D582 A620 E621 L622	D582-A618 HydrophobicContact CB-CB 3.95Å; D582-A618 VanDerWaalsContact CG-CB 3.5Å; D582-A618 WeakPolarHBondContact OD2-CB 3.49Å; A618-A620 PolarHBondContact O-N 3.37Å; A618-E621 HydrophobicContact CB-CG 4.19Å; A618-E621 PolarHBondContact N-OE2 3.07Å; A618-E621 WeakPolarHBondContact O-CB 3.45Å; A618-E621 PolarHBondContact O-N 3.31Å; A618-L622 PolarHBondContact O-N 3.27Å; A618-L622 VanDerWaalsContact O-N 3.12Å
619	A	92.1	Very high	89.4	Confident	3 Å²	3	25.6 Å²	25.6	3%	0.025	15%	0.149	C	C	.	.	H	α-helix	trans	-55	-37	177	0	0	0	0	0	113.1	E621 L622 T623 E770 K773 T774 Q777	A619-E621 VanDerWaalsContact C-N 3.33Å; A619-E621 PolarHBondContact O-N 3.4Å; A619-L622 PolarHBondContact O-N 3Å; A619-T623 VanDerWaalsContact O-CB 3.29Å; A619-T623 WeakPolarHBondContact O-CB 3.49Å; A619-T623 PolarHBondContact O-N 3.07Å; A619-T623 PolarHBondContact O-OG1 3.38Å; A619-E770 HydrophobicContact CB-CB 4.32Å; A619-E770 WeakPolarHBondContact CB-O 3.5Å; A619-E770 WeakPolarHBondContact CB-OE2 3.43Å; A619-E770 PolarHBondContact N-OE2 3.09Å; A619-K773 HydrophobicContact CB-CB 3.96Å; A619-T774 WeakPolarHBondContact CA-OG1 3.16Å; A619-T774 PolarHBondContact O-OG1 3.03Å; A619-Q777 PolarHBondContact O-OE1 3.49Å
620	A	93	Very high	89.5	Confident	27 Å²	27	27.8 Å²	27.8	22%	0.223	16%	0.159	C	C	.	.	H	α-helix	trans	-61.7	-41	177.7	0	0	0	0	0	112.5	I585 A618 G624	I585-A620 WeakPolarHBondContact CA-O 3.48Å; I585-A620 HydrophobicContact CG1-CB 3.78Å; I585-A620 WeakPolarHBondContact CG1-O 3.26Å; A618-A620 PolarHBondContact O-N 3.37Å; A620-G624 PolarHBondContact O-N 3.42Å
621	E	93.6	Very high	89.8	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-67.5	-45.7	179.3	-59.1	175.4	142.7	0	0	110.2	D582 L583 M588 L612 K615 V617 A618 A619 G624 L625 I742	D582-E621 WeakPolarHBondContact CA-OE1 3.06Å; L583-E621 HydrophobicContact CB-CG 4.02Å; L583-E621 PolarHBondContact N-OE1 3.02Å; L583-E621 VanDerWaalsContact O-CG 3.32Å; L583-E621 WeakPolarHBondContact O-CG 3.43Å; M588-E621 HydrophobicContact CB-CB 4.45Å; M588-E621 HydrophobicContact CG-CB 4.09Å; M588-E621 WeakPolarHBondContact CG-O 3.47Å; L612-E621 WeakPolarHBondContact CD2-OE1 3.37Å; K615-E621 VanDerWaalsContact CE-OE1 3.26Å; K615-E621 WeakPolarHBondContact CE-OE1 3.5Å; K615-E621 IonicContact NZ-OE1 3.68Å; K615-E621 PolarHBondContact NZ-OE1 3.31Å; K615-E621 IonicContact NZ-OE2 3.5Å; K615-E621 PolarHBondContact NZ-OE2 3.1Å; V617-E621 HydrophobicContact CG1-CB 4.44Å; A618-E621 HydrophobicContact CB-CG 4.19Å; A618-E621 PolarHBondContact N-OE2 3.07Å; A618-E621 WeakPolarHBondContact O-CB 3.45Å; A618-E621 PolarHBondContact O-N 3.31Å; A619-E621 VanDerWaalsContact C-N 3.33Å; A619-E621 PolarHBondContact O-N 3.4Å; E621-G624 PolarHBondContact O-N 3.36Å; E621-L625 WeakPolarHBondContact O-CB 3.44Å; E621-L625 PolarHBondContact O-N 3.26Å; E621-I742 HydrophobicContact CB-CD1 4.28Å
622	L	93.3	Very high	90	Very high	3 Å²	3	31 Å²	31	2%	0.016	18%	0.184	C	C	.	.	H	α-helix	trans	-64.4	-44.5	179.5	-160.3	65.8	0	0	0	111.7	V617 A618 A619 A626 I742 L745 L749 T774	V617-L622 HydrophobicContact CG1-CB 4.12Å; V617-L622 HydrophobicContact CG1-CD1 4.24Å; A618-L622 PolarHBondContact O-N 3.27Å; A618-L622 VanDerWaalsContact O-N 3.12Å; A619-L622 PolarHBondContact O-N 3Å; L622-A626 VanDerWaalsContact O-CB 3.23Å; L622-A626 WeakPolarHBondContact O-CB 3.49Å; L622-A626 PolarHBondContact O-N 3.44Å; L622-I742 HydrophobicContact CD1-CD1 4.06Å; L622-I742 HydrophobicContact CD1-CG1 3.47Å; L622-I742 VanDerWaalsContact CD1-CG1 3.47Å; L622-L745 HydrophobicContact CD1-CB 3.8Å; L622-L745 HydrophobicContact CD1-CD1 4.39Å; L622-L745 HydrophobicContact CD2-CB 4.14Å; L622-L745 HydrophobicContact CD2-CD1 4.28Å; L622-L749 HydrophobicContact CD1-CD1 4.12Å; L622-L749 HydrophobicContact CD2-CD1 3.55Å; L622-L749 HydrophobicContact CG-CD1 3.5Å; L622-T774 HydrophobicContact CB-CG2 4.15Å; L622-T774 HydrophobicContact CD2-CG2 4.08Å; L622-T774 HydrophobicContact CG-CG2 4.09Å
623	T	95.3	Very high	89.9	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.8	-48.7	173.3	-66.6	0	0	0	0	111.8	I585 A619 L625 A626 Q627 T774 Q777 L778	I585-T623 HydrophobicContact CD1-CG2 3.88Å; I585-T623 HydrophobicContact CG1-CG2 4.21Å; I585-T623 HydrophobicContact CG2-CG2 4.27Å; A619-T623 VanDerWaalsContact O-CB 3.29Å; A619-T623 WeakPolarHBondContact O-CB 3.49Å; A619-T623 PolarHBondContact O-N 3.07Å; A619-T623 PolarHBondContact O-OG1 3.38Å; T623-L625 PolarHBondContact O-N 2.83Å; T623-A626 PolarHBondContact O-N 2.86Å; T623-Q627 HydrophobicContact CG2-CG 4.33Å; T623-Q627 VanDerWaalsContact O-CG 3.32Å; T623-Q627 WeakPolarHBondContact O-CG 3.49Å; T623-Q627 PolarHBondContact O-N 3.08Å; T623-T774 WeakPolarHBondContact OG1-CG2 3.39Å; T623-Q777 HydrophobicContact CG2-CB 3.8Å; T623-Q777 PolarHBondContact OG1-OE1 3.2Å; T623-L778 HydrophobicContact CG2-CD2 4.16Å
624	G	95.3	Very high	90	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.2	-44.6	-177.5	0	0	0	0	0	112.2	Q589 A620 E621 V628	Q589-G624 WeakPolarHBondContact CG-O 3.33Å; A620-G624 PolarHBondContact O-N 3.42Å; E621-G624 PolarHBondContact O-N 3.36Å; G624-V628 WeakPolarHBondContact O-CG2 3.25Å; G624-V628 PolarHBondContact O-N 2.91Å
625	L	94.9	Very high	90.3	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.4	-40.1	176.1	-173.4	60.6	0	0	0	112.2	M588 F596 E621 T623 V628 M629 I742 F743 L746	M588-L625 HydrophobicContact CE-CB 4.05Å; M588-L625 HydrophobicContact CE-CD1 4.2Å; M588-L625 HydrophobicContact CE-CD2 3.92Å; M588-L625 HydrophobicContact CE-CG 4.28Å; M588-L625 HydrophobicContact CG-CB 4.23Å; F596-L625 HydrophobicContact CE2-CD1 3.91Å; F596-L625 HydrophobicContact CZ-CD1 4.46Å; E621-L625 WeakPolarHBondContact O-CB 3.44Å; E621-L625 PolarHBondContact O-N 3.26Å; T623-L625 PolarHBondContact O-N 2.83Å; L625-V628 PolarHBondContact O-N 3.39Å; L625-M629 PolarHBondContact O-N 3.38Å; L625-M629 VanDerWaalsContact O-N 3.1Å; L625-I742 HydrophobicContact CD2-CD1 4.08Å; L625-I742 HydrophobicContact CD2-CG1 4.15Å; L625-I742 HydrophobicContact CD2-CG2 3.78Å; L625-F743 HydrophobicContact CD1-CE1 4.39Å; L625-F743 HydrophobicContact CD1-CZ 4.47Å; L625-F743 HydrophobicContact CD2-CD1 4.31Å; L625-F743 HydrophobicContact CD2-CE1 3.87Å; L625-F743 HydrophobicContact CD2-CZ 4.11Å; L625-F743 HydrophobicContact CG-CE1 4.44Å; L625-L746 HydrophobicContact CB-CD1 4.47Å; L625-L746 HydrophobicContact CD2-CD2 3.81Å; L625-L746 HydrophobicContact CG-CD1 4.29Å; L625-L746 HydrophobicContact CG-CD2 3.83Å
626	A	93.8	Very high	90.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.1	-43.7	177.7	0	0	0	0	0	112.1	L622 T623 V628 M629 Q630 L746 L749 I750 L778	L622-A626 VanDerWaalsContact O-CB 3.23Å; L622-A626 WeakPolarHBondContact O-CB 3.49Å; L622-A626 PolarHBondContact O-N 3.44Å; T623-A626 PolarHBondContact O-N 2.86Å; A626-V628 PolarHBondContact O-N 2.87Å; A626-M629 WeakPolarHBondContact O-CB 3.45Å; A626-M629 PolarHBondContact O-N 3.4Å; A626-M629 VanDerWaalsContact O-N 3.17Å; A626-Q630 WeakPolarHBondContact O-CG 3.22Å; A626-Q630 PolarHBondContact O-N 2.71Å; A626-L746 HydrophobicContact CB-CD1 3.7Å; A626-L749 HydrophobicContact CB-CB 4.11Å; A626-I750 HydrophobicContact CB-CG2 4.06Å; A626-L778 HydrophobicContact CB-CD1 3.99Å; A626-L778 HydrophobicContact CB-CD2 3.99Å
627	Q	94	Very high	89.7	Confident	60 Å²	60	30.2 Å²	30.2	28%	0.28	19%	0.189	S	C	.	.	H	α-helix	trans	-63	-40.1	177.8	-73.1	172	-21	0	0	112.3	T623 M629 Q630 G631 L778	T623-Q627 HydrophobicContact CG2-CG 4.33Å; T623-Q627 VanDerWaalsContact O-CG 3.32Å; T623-Q627 WeakPolarHBondContact O-CG 3.49Å; T623-Q627 PolarHBondContact O-N 3.08Å; Q627-M629 VanDerWaalsContact C-N 3.31Å; Q627-M629 PolarHBondContact O-N 3.41Å; Q627-Q630 PolarHBondContact O-N 2.88Å; Q627-G631 PolarHBondContact O-N 2.88Å; Q627-L778 HydrophobicContact CG-CD2 3.65Å
628	V	93.6	Very high	89.1	Confident	11 Å²	11	33 Å²	33	7%	0.067	22%	0.215	C	C	.	.	H	α-helix	trans	-61.8	-43	174.1	175.2	0	0	0	0	110.8	Q589 K593 F596 G624 L625 A626 G631 K632	Q589-V628 HydrophobicContact CB-CG2 3.87Å; Q589-V628 HydrophobicContact CG-CG2 3.96Å; Q589-V628 WeakPolarHBondContact O-CG2 3.37Å; K593-V628 HydrophobicContact CG-CG1 4.08Å; K593-V628 HydrophobicContact CG-CG2 4.17Å; F596-V628 HydrophobicContact CD2-CG1 3.79Å; F596-V628 HydrophobicContact CE2-CG1 4.25Å; G624-V628 WeakPolarHBondContact O-CG2 3.25Å; G624-V628 PolarHBondContact O-N 2.91Å; L625-V628 PolarHBondContact O-N 3.39Å; A626-V628 PolarHBondContact O-N 2.87Å; V628-G631 PolarHBondContact O-N 2.7Å; V628-K632 HydrophobicContact CG1-CD 4.4Å; V628-K632 PolarHBondContact O-N 2.82Å
629	M	91.3	Very high	88.4	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-68.1	-40.1	179.3	-82.5	-147.9	71.3	0	0	113.9	F596 L625 A626 Q627 G631 K632 G633 H724 M727 L746 I750	F596-M629 HydrophobicContact CE2-CG 3.52Å; F596-M629 HydrophobicContact CE2-SD 4.41Å; F596-M629 HydrophobicContact CZ-CE 4.47Å; F596-M629 HydrophobicContact CZ-CG 3.55Å; F596-M629 HydrophobicContact CZ-SD 3.84Å; L625-M629 PolarHBondContact O-N 3.38Å; L625-M629 VanDerWaalsContact O-N 3.1Å; A626-M629 WeakPolarHBondContact O-CB 3.45Å; A626-M629 PolarHBondContact O-N 3.4Å; A626-M629 VanDerWaalsContact O-N 3.17Å; Q627-M629 VanDerWaalsContact C-N 3.31Å; Q627-M629 PolarHBondContact O-N 3.41Å; M629-G631 VanDerWaalsContact C-N 3.33Å; M629-K632 PolarHBondContact O-N 3.1Å; M629-G633 PolarHBondContact O-N 3.33Å; M629-H724 HydrophobicContact CE-CB 3.99Å; M629-M727 HydrophobicContact CE-CB 4.07Å; M629-M727 HydrophobicContact CE-CE 3.49Å; M629-M727 VanDerWaalsContact CE-CE 3.49Å; M629-M727 HydrophobicContact SD-CE 3.44Å; M629-M727 WeakPolarHBondContact SD-CE 3.4Å; M629-L746 HydrophobicContact CG-CD2 3.97Å; M629-L746 HydrophobicContact SD-CD2 3.14Å; M629-L746 WeakPolarHBondContact SD-CD2 3.49Å; M629-L746 HydrophobicContact SD-CG 3.89Å; M629-I750 HydrophobicContact CB-CB 4.33Å; M629-I750 HydrophobicContact CB-CG2 3.63Å; M629-I750 HydrophobicContact CE-CD1 3.55Å; M629-I750 HydrophobicContact SD-CD1 3.95Å; M629-I750 HydrophobicContact SD-CG2 4.38Å
630	Q	90.6	Very high	88	Confident	47 Å²	47	35.7 Å²	35.7	22%	0.22	23%	0.234	C	C	.	.	H	α-helix	trans	-61.9	-43.5	172.4	-73	-179.8	-52.7	0	0	110.5	A626 Q627 K632 G633 I750 N751	A626-Q630 WeakPolarHBondContact O-CG 3.22Å; A626-Q630 PolarHBondContact O-N 2.71Å; Q627-Q630 PolarHBondContact O-N 2.88Å; Q630-K632 VanDerWaalsContact C-N 3.28Å; Q630-K632 PolarHBondContact O-N 3.13Å; Q630-G633 PolarHBondContact O-N 3.44Å; Q630-I750 HydrophobicContact CG-CB 4.12Å; Q630-I750 HydrophobicContact CG-CG2 4.44Å; Q630-N751 PolarHBondContact NE2-O 2.97Å
631	G	88.9	Confident	87.7	Confident	71 Å²	71	41.1 Å²	41.1	73%	0.732	26%	0.264	S	S	*	.	H	α-helix	trans	-66.7	-23.8	178.1	0	0	0	0	0	114.8	Q627 V628 M629	Q627-G631 PolarHBondContact O-N 2.88Å; V628-G631 PolarHBondContact O-N 2.7Å; M629-G631 VanDerWaalsContact C-N 3.33Å
632	K	87.2	Confident	87.6	Confident	68 Å²	68	41.7 Å²	41.7	30%	0.296	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-2.5	171.7	-72.1	-175.7	-179	-97.2	0	113.3	F596 E597 V628 M629 Q630 A726	F596-K632 HydrophobicContact CB-CD 3.61Å; F596-K632 HydrophobicContact CD2-CD 4.3Å; F596-K632 HydrophobicContact CG-CD 4.18Å; F596-K632 PolarHBondContact O-NZ 2.9Å; E597-K632 IonicContact OE1-NZ 2.97Å; V628-K632 HydrophobicContact CG1-CD 4.4Å; V628-K632 PolarHBondContact O-N 2.82Å; M629-K632 PolarHBondContact O-N 3.1Å; Q630-K632 VanDerWaalsContact C-N 3.28Å; Q630-K632 PolarHBondContact O-N 3.13Å; K632-A726 HydrophobicContact CB-CB 4.16Å; K632-A726 HydrophobicContact CD-CB 4.23Å
633	G	85.4	Confident	87.6	Confident	14 Å²	14	41.6 Å²	41.6	14%	0.144	27%	0.27	C	S	.	.	S	Bend	trans	-75	171.1	177.2	0	0	0	0	0	112.6	M629 Q630 P635 L723	M629-G633 PolarHBondContact O-N 3.33Å; Q630-G633 PolarHBondContact O-N 3.44Å; G633-P635 WeakPolarHBondContact O-CD 3.15Å; G633-L723 CarbonylContact C-O 3.5Å; G633-L723 WeakPolarHBondContact CA-O 3.26Å
634	T	84.7	Confident	87.6	Confident	41 Å²	41	41.6 Å²	41.6	25%	0.252	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-69	122.5	171.7	-56.3	0	0	0	0	108.9	M636 P703 L723	T634-M636 HydrophobicContact CG2-CE 3.72Å; T634-M636 VanDerWaalsContact O-CE 3.28Å; T634-M636 WeakPolarHBondContact O-CE 3.4Å; T634-M636 PolarHBondContact O-N 3.46Å; T634-P703 HydrophobicContact CG2-CG 3.56Å; T634-L723 HydrophobicContact CG2-CD2 4.46Å; T634-L723 PolarHBondContact N-O 2.8Å
635	P	81.8	Confident	87.6	Confident	111 Å²	111	41.6 Å²	41.6	72%	0.721	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-66.9	131.7	179.7	27.1	-33.4	0	0	0	110.3	G633	G633-P635 WeakPolarHBondContact O-CD 3.15Å
636	M	84.1	Confident	87.6	Confident	27 Å²	27	41.7 Å²	41.7	13%	0.133	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-93.9	161.2	171.6	-60.3	-65.7	106.8	0	0	110.3	T634 P703 I706 L723 P752 Y753	T634-M636 HydrophobicContact CG2-CE 3.72Å; T634-M636 VanDerWaalsContact O-CE 3.28Å; T634-M636 WeakPolarHBondContact O-CE 3.4Å; T634-M636 PolarHBondContact O-N 3.46Å; M636-P703 HydrophobicContact CE-CB 3.82Å; M636-P703 HydrophobicContact CE-CG 3.9Å; M636-P703 HydrophobicContact SD-CB 4.26Å; M636-I706 HydrophobicContact SD-CB 4.48Å; M636-I706 HydrophobicContact SD-CD1 4.09Å; M636-I706 HydrophobicContact SD-CG2 4.29Å; M636-L723 HydrophobicContact CE-CD2 3.65Å; M636-P752 HydrophobicContact CG-CB 3.86Å; M636-P752 HydrophobicContact CG-CG 3.82Å; M636-P752 HydrophobicContact SD-CG 4.47Å; M636-Y753 HydrophobicContact CB-CD1 3.83Å; M636-Y753 HydrophobicContact CB-CD2 4.42Å; M636-Y753 HydrophobicContact CB-CE1 3.53Å; M636-Y753 HydrophobicContact CB-CE2 4.16Å; M636-Y753 HydrophobicContact CB-CG 4.28Å; M636-Y753 HydrophobicContact CG-CD1 4.37Å; M636-Y753 HydrophobicContact CG-CD2 4.09Å; M636-Y753 HydrophobicContact CG-CE1 4.19Å; M636-Y753 HydrophobicContact CG-CE2 3.89Å; M636-Y753 HydrophobicContact CG-CG 4.34Å; M636-Y753 HydrophobicContact SD-CE2 4.25Å
637	L	71.7	Confident	87.4	Confident	102 Å²	102	42.1 Å²	42.1	53%	0.534	27%	0.274	S	S	.	.			trans	-73.5	-172.7	171.6	-53.1	169.3	0	0	0	110.8	A639 D707	L637-A639 PolarHBondContact O-N 3.3Å; L637-D707 HydrophobicContact CB-CB 4.47Å; L637-D707 VanDerWaalsContact CB-CG 3.48Å; L637-D707 WeakPolarHBondContact CB-OD2 3.46Å; L637-D707 HydrophobicContact CD1-CB 4.03Å; L637-D707 WeakPolarHBondContact CD1-OD2 3.38Å; L637-D707 WeakPolarHBondContact CG-OD2 3.44Å; L637-D707 PolarHBondContact N-OD2 3.2Å; L637-D707 VanDerWaalsContact N-OD2 3.1Å
638	A	76.1	Confident	86.9	Confident	93 Å²	93	40.3 Å²	40.3	77%	0.769	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-57.8	120.4	-178	0	0	0	0	0	111.6
639	A	76.6	Confident	86.1	Confident	30 Å²	30	40.9 Å²	40.9	25%	0.248	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-66.2	140.1	177.6	0	0	0	0	0	110.9	L637 V643 Y753 P754	L637-A639 PolarHBondContact O-N 3.3Å; A639-V643 HydrophobicContact CB-CG1 3.87Å; A639-Y753 HydrophobicContact CB-CD1 3.55Å; A639-Y753 HydrophobicContact CB-CE1 4.27Å; A639-Y753 HydrophobicContact CB-CG 4.33Å; A639-P754 HydrophobicContact CB-CG 4.01Å
640	P	83.7	Confident	85.1	Confident	44 Å²	44	42.5 Å²	42.5	29%	0.286	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-66.8	149.4	171.6	26.5	-29.7	0	0	0	110.6	G642 V643 P673 L710	P640-G642 PolarHBondContact O-N 2.88Å; P640-V643 HydrophobicContact CG-CB 4.13Å; P640-V643 HydrophobicContact CG-CG2 4.36Å; P640-V643 WeakPolarHBondContact O-CB 3.37Å; P640-V643 WeakPolarHBondContact O-CG1 3.31Å; P640-V643 PolarHBondContact O-N 3.47Å; P640-P673 HydrophobicContact CB-CB 4.42Å; P640-P673 HydrophobicContact CB-CG 4.44Å; P640-P673 HydrophobicContact CG-CB 3.88Å; P640-P673 HydrophobicContact CG-CG 4.41Å; P640-L710 HydrophobicContact CG-CD2 3.65Å; P640-L710 HydrophobicContact CG-CG 3.92Å
641	V	86.1	Confident	83.7	Confident	140 Å²	140	41.9 Å²	41.9	85%	0.848	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	134.2	176.4	179.1	0	0	0	0	110.1
642	G	91.1	Very high	82.5	Confident	13 Å²	13	40.2 Å²	40.2	13%	0.134	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	16.5	-178.6	0	0	0	0	0	114	P640 D756	P640-G642 PolarHBondContact O-N 2.88Å; G642-D756 VanDerWaalsContact CA-OD2 3.31Å; G642-D756 WeakPolarHBondContact CA-OD2 3.32Å; G642-D756 PolarHBondContact N-OD2 3.17Å
643	V	93.6	Very high	81.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	29%	0.287	C	S	.	.			trans	-63.7	137.6	180	68.1	0	0	0	0	111.2	A639 P640 P673 A675 L710 P754 L755 D756 Y757	A639-V643 HydrophobicContact CB-CG1 3.87Å; P640-V643 HydrophobicContact CG-CB 4.13Å; P640-V643 HydrophobicContact CG-CG2 4.36Å; P640-V643 WeakPolarHBondContact O-CB 3.37Å; P640-V643 WeakPolarHBondContact O-CG1 3.31Å; P640-V643 PolarHBondContact O-N 3.47Å; V643-P673 WeakPolarHBondContact CA-O 3.02Å; V643-P673 HydrophobicContact CB-CB 4.49Å; V643-A675 HydrophobicContact CG2-CB 3.67Å; V643-L710 HydrophobicContact CG2-CD2 4.03Å; V643-P754 WeakPolarHBondContact CG1-O 3.44Å; V643-L755 HydrophobicContact CG1-CD2 4.07Å; V643-L755 HydrophobicContact CG2-CD2 4.11Å; V643-D756 PolarHBondContact O-N 3.48Å; V643-D756 VanDerWaalsContact O-N 3.15Å; V643-Y757 PolarHBondContact O-N 2.95Å
644	M	95.4	Very high	80.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	152.8	-175.3	-177.4	175.6	-177.7	0	0	112	L667 I672 P673 M674 A675 Y757 L759 A868	M644-L667 HydrophobicContact SD-CD1 4.44Å; M644-I672 HydrophobicContact CB-CG2 3.61Å; M644-I672 HydrophobicContact CG-CG2 4.45Å; M644-I672 HydrophobicContact SD-CG2 4.17Å; M644-P673 PolarHBondContact N-O 2.84Å; M644-M674 HydrophobicContact CB-CE 4.49Å; M644-M674 HydrophobicContact CB-SD 3.91Å; M644-M674 HydrophobicContact CG-CE 4.33Å; M644-M674 HydrophobicContact CG-SD 4.2Å; M644-M674 CarbonylContact O-C 3.49Å; M644-M674 WeakPolarHBondContact O-CA 3.37Å; M644-A675 PolarHBondContact O-N 3.45Å; M644-Y757 VanDerWaalsContact CA-O 3.3Å; M644-Y757 WeakPolarHBondContact CA-O 3.29Å; M644-Y757 WeakPolarHBondContact CG-O 2.96Å; M644-L759 HydrophobicContact CE-CB 3.54Å; M644-A868 HydrophobicContact CE-CB 3.79Å
645	D	95.1	Very high	80.4	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	152.3	163.7	-170.7	14.2	0	0	0	110.2	C647 K676 H677 N751 L755 Q758 L759	D645-C647 PolarHBondContact OD2-SG 3.26Å; D645-K676 WeakPolarHBondContact OD1-CA 3.47Å; D645-H677 PolarHBondContact OD1-N 3.31Å; D645-H677 WeakPolarHBondContact OD2-CB 3.13Å; D645-H677 PolarHBondContact OD2-N 2.9Å; D645-N751 PolarHBondContact OD2-ND2 2.86Å; D645-N751 VanDerWaalsContact OD2-ND2 3.09Å; D645-L755 HydrophobicContact CB-CD1 3.43Å; D645-L755 VanDerWaalsContact CB-CD1 3.43Å; D645-L755 HydrophobicContact CB-CD2 4.43Å; D645-Q758 WeakPolarHBondContact O-CA 3.46Å; D645-L759 PolarHBondContact O-N 3.12Å
646	N	94.8	Very high	80.4	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.011	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	110.7	169	71.6	-34.1	0	0	0	110.7	S660 A664 L667 M674 K676 L759	N646-S660 PolarHBondContact ND2-O 3.4Å; N646-S660 PolarHBondContact OD1-O 2.96Å; N646-A664 WeakPolarHBondContact OD1-CB 3.35Å; N646-L667 HydrophobicContact CB-CD1 4.42Å; N646-M674 HydrophobicContact CB-CE 4.28Å; N646-M674 WeakPolarHBondContact OD1-CE 3.13Å; N646-K676 WeakPolarHBondContact O-CD 3.48Å; N646-K676 WeakPolarHBondContact O-CE 3.22Å; N646-K676 PolarHBondContact O-NZ 3.38Å; N646-K676 WeakPolarHBondContact OD1-CD 3.5Å; N646-K676 WeakPolarHBondContact OD1-CE 3.4Å; N646-L759 CarbonylContact C-O 3.42Å; N646-L759 WeakPolarHBondContact CA-O 3.42Å; N646-L759 HydrophobicContact CB-CB 4.01Å; N646-L759 HydrophobicContact CB-CD2 4.34Å
647	C	88.9	Confident	80.7	Confident	10 Å²	10	41 Å²	41	7%	0.068	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	145.9	-173.5	51.3	0	0	0	0	112	D645 P748 L759 M760 G761	D645-C647 PolarHBondContact OD2-SG 3.26Å; C647-P748 VanDerWaalsContact SG-CA 3.59Å; C647-P748 VanDerWaalsContact SG-CB 3.51Å; C647-L759 PolarHBondContact N-O 3.03Å; C647-M760 CarbonylContact O-C 3.53Å; C647-M760 VanDerWaalsContact O-CA 3.27Å; C647-M760 WeakPolarHBondContact O-CA 3.39Å; C647-G761 PolarHBondContact O-N 3.28Å
648	G	83.7	Confident	81.6	Confident	21 Å²	21	37 Å²	37	22%	0.216	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	161	172.4	0	0	0	0	0	111.5	G650 P748 D793	G648-G650 PolarHBondContact O-N 2.9Å; G648-P748 WeakPolarHBondContact O-CG 3.14Å; G648-D793 WeakPolarHBondContact CA-OD2 3.32Å
649	T	78	Confident	82.4	Confident	24 Å²	24	32.6 Å²	32.6	15%	0.147	21%	0.208	C	C	.	.			trans	-60.1	-22.7	172.1	43.4	0	0	0	0	113.3	L745 P748 M760 G761 Y763 D793	T649-L745 HydrophobicContact CG2-CD2 4.06Å; T649-P748 HydrophobicContact CG2-CG 4.25Å; T649-M760 HydrophobicContact CG2-CE 3.97Å; T649-G761 PolarHBondContact N-O 3.32Å; T649-G761 VanDerWaalsContact N-O 3.1Å; T649-Y763 VanDerWaalsContact OG1-CD1 3.24Å; T649-Y763 WeakPolarHBondContact OG1-CD1 3.42Å; T649-Y763 PolarHBondContact OG1-N 2.88Å; T649-D793 PolarHBondContact N-OD2 2.79Å; T649-D793 VanDerWaalsContact N-OD2 3.07Å
650	G	70.7	Confident	83.2	Confident	35 Å²	35	32.3 Å²	32.3	36%	0.361	20%	0.204	S	C	.	.			trans	68	171.3	-168.2	0	0	0	0	0	112.4	G648 D793	G648-G650 PolarHBondContact O-N 2.9Å; G650-D793 WeakPolarHBondContact CA-OD2 3.5Å; G650-D793 PolarHBondContact N-OD2 3.29Å
651	G	60.9	Low	83.6	Confident	34 Å²	34	30.4 Å²	30.4	35%	0.351	19%	0.191	S	C	.	.			trans	83.6	12.4	173	0	0	0	0	0	115.8	H653	G651-H653 PolarHBondContact O-CD2 3.43Å; G651-H653 PolarHBondContact O-N 3.19Å
652	D	63.5	Low	84.1	Confident	35 Å²	35	23.8 Å²	23.8	19%	0.187	15%	0.151	C	C	.	.			trans	-71.6	-6.5	175.6	69.8	-13.1	0	0	0	114.5	S654 M792	D652-S654 PolarHBondContact O-N 3.02Å; D652-S654 VanDerWaalsContact O-N 3.07Å; D652-S654 PolarHBondContact OD1-N 3.46Å; D652-S654 VanDerWaalsContact OD1-N 3.1Å; D652-S654 PolarHBondContact OD1-OG 3.16Å; D652-S654 WeakPolarHBondContact OD2-CB 3.15Å; D652-S654 PolarHBondContact OD2-OG 3.06Å; D652-M792 VanDerWaalsContact OD2-CG 3.28Å; D652-M792 WeakPolarHBondContact OD2-CG 3.39Å
653	H	65.7	Low	84.4	Confident	135 Å²	135	23.2 Å²	23.2	63%	0.625	15%	0.145	S	C	*	.			trans	55.3	20.3	-176.6	-57.6	-78.1	0	0	0	114.8	G651 H655	G651-H653 PolarHBondContact O-CD2 3.43Å; G651-H653 PolarHBondContact O-N 3.19Å; H653-H655 VanDerWaalsContact C-N 3.3Å; H653-H655 PolarHBondContact O-CD2 3.36Å; H653-H655 PolarHBondContact O-N 2.87Å
654	S	67.7	Low	84.6	Confident	30 Å²	30	23.2 Å²	23.2	21%	0.21	15%	0.145	C	C	.	.			trans	-74.5	-18.8	-174.7	66.5	0	0	0	0	113.9	D652 S656	D652-S654 PolarHBondContact O-N 3.02Å; D652-S654 VanDerWaalsContact O-N 3.07Å; D652-S654 PolarHBondContact OD1-N 3.46Å; D652-S654 VanDerWaalsContact OD1-N 3.1Å; D652-S654 PolarHBondContact OD1-OG 3.16Å; D652-S654 WeakPolarHBondContact OD2-CB 3.15Å; D652-S654 PolarHBondContact OD2-OG 3.06Å; S654-S656 PolarHBondContact O-N 3.48Å; S654-S656 VanDerWaalsContact O-N 3.15Å; S654-S656 PolarHBondContact OG-N 2.86Å; S654-S656 PolarHBondContact OG-OG 3.12Å
655	H	79.3	Confident	84.7	Confident	95 Å²	95	23.4 Å²	23.4	44%	0.44	15%	0.146	S	C	.	.			trans	54.2	26.4	-174.5	-55.5	-61.8	0	0	0	113.9	H653 G833	H653-H655 VanDerWaalsContact C-N 3.3Å; H653-H655 PolarHBondContact O-CD2 3.36Å; H653-H655 PolarHBondContact O-N 2.87Å; H655-G833 PolarHBondContact O-N 3.04Å
656	S	82.6	Confident	84.8	Confident	18 Å²	18	23.4 Å²	23.4	13%	0.126	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-61	162.3	174.1	67.2	0	0	0	0	111.9	S654 E794 I831	S654-S656 PolarHBondContact O-N 3.48Å; S654-S656 VanDerWaalsContact O-N 3.15Å; S654-S656 PolarHBondContact OG-N 2.86Å; S654-S656 PolarHBondContact OG-OG 3.12Å; S656-E794 PolarHBondContact OG-OE2 2.86Å; S656-I831 WeakPolarHBondContact CA-O 3.46Å
657	F	90	Very high	85	Confident	1 Å²	1	23.3 Å²	23.3	0%	0.004	15%	0.145	C	C	.	.			trans	-70.7	169.1	162.7	78.5	-68.2	0	0	0	110.4	I659 I831 I842 H854 V858	F657-I659 HydrophobicContact CD1-CD1 4.11Å; F657-I659 HydrophobicContact CD1-CG1 3.56Å; F657-I659 HydrophobicContact CD2-CG1 4.42Å; F657-I659 HydrophobicContact CE1-CB 4.49Å; F657-I659 HydrophobicContact CE1-CD1 3.82Å; F657-I659 HydrophobicContact CE1-CG1 3.18Å; F657-I659 HydrophobicContact CE2-CG1 4.08Å; F657-I659 HydrophobicContact CG-CG1 4.22Å; F657-I659 HydrophobicContact CZ-CB 4.43Å; F657-I659 HydrophobicContact CZ-CG1 3.49Å; F657-I659 VanDerWaalsContact CZ-CG1 3.49Å; F657-I659 PolarHBondContact O-N 2.95Å; F657-I831 HydrophobicContact CD1-CB 4.38Å; F657-I831 WeakPolarHBondContact CD1-O 3.4Å; F657-I831 HydrophobicContact CE1-CB 4.27Å; F657-I831 PolarHBondContact N-O 2.77Å; F657-I831 VanDerWaalsContact N-O 3.12Å; F657-I842 HydrophobicContact CB-CD1 4.1Å; F657-I842 HydrophobicContact CB-CG2 4.35Å; F657-I842 HydrophobicContact CD2-CB 4.48Å; F657-I842 HydrophobicContact CD2-CG2 3.45Å; F657-I842 VanDerWaalsContact CD2-CG2 3.45Å; F657-I842 HydrophobicContact CE2-CG2 3.8Å; F657-I842 HydrophobicContact CG-CG2 3.96Å; F657-H854 AromaticContact CD1-CD2 3.46Å; F657-H854 VanDerWaalsContact CD1-CD2 3.46Å; F657-H854 WeakPolarHBondContact CD1-CD2 3.42Å; F657-H854 HydrophobicContact CE1-CB 4Å; F657-H854 AromaticContact CE1-CD2 3.57Å; F657-H854 HydrophobicContact CE2-CB 4.18Å; F657-H854 AromaticContact CG-CD2 3.82Å; F657-H854 HydrophobicContact CZ-CB 3.72Å; F657-H854 WeakPolarHBondContact CZ-O 3.36Å; F657-V858 HydrophobicContact CE2-CG2 3.79Å; F657-V858 HydrophobicContact CZ-CG2 3.68Å
658	N	89.9	Confident	85.3	Confident	18 Å²	18	22.9 Å²	22.9	10%	0.096	14%	0.142	C	C	.	.			trans	-75	71.6	-175.8	-62.7	75.1	0	0	0	112.7	T661 T662 S686 G687 S688 I691 N839	N658-T661 PolarHBondContact O-N 3.06Å; N658-T662 PolarHBondContact O-N 3.45Å; N658-T662 PolarHBondContact O-OG1 3.27Å; N658-S686 PolarHBondContact ND2-O 3.46Å; N658-S686 PolarHBondContact OD1-O 3.16Å; N658-S686 PolarHBondContact OD1-OG 2.92Å; N658-G687 PolarHBondContact ND2-O 2.9Å; N658-S688 PolarHBondContact ND2-N 3.38Å; N658-I691 HydrophobicContact CB-CD1 3.5Å; N658-I691 VanDerWaalsContact CB-CD1 3.5Å; N658-I691 WeakPolarHBondContact OD1-CD1 2.93Å; N658-N839 PolarHBondContact OD1-ND2 2.96Å
659	I	93.5	Very high	86	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-56.7	-56.4	-176	-69.5	159.5	0	0	0	110.5	F657 T661 T662 A663 M792 E794 I831 T857 N861	F657-I659 HydrophobicContact CD1-CD1 4.11Å; F657-I659 HydrophobicContact CD1-CG1 3.56Å; F657-I659 HydrophobicContact CD2-CG1 4.42Å; F657-I659 HydrophobicContact CE1-CB 4.49Å; F657-I659 HydrophobicContact CE1-CD1 3.82Å; F657-I659 HydrophobicContact CE1-CG1 3.18Å; F657-I659 HydrophobicContact CE2-CG1 4.08Å; F657-I659 HydrophobicContact CG-CG1 4.22Å; F657-I659 HydrophobicContact CZ-CB 4.43Å; F657-I659 HydrophobicContact CZ-CG1 3.49Å; F657-I659 VanDerWaalsContact CZ-CG1 3.49Å; F657-I659 PolarHBondContact O-N 2.95Å; I659-T661 VanDerWaalsContact C-N 3.29Å; I659-T661 PolarHBondContact O-N 3.39Å; I659-T662 PolarHBondContact O-N 3.28Å; I659-T662 VanDerWaalsContact O-N 3.12Å; I659-A663 WeakPolarHBondContact O-CB 3.26Å; I659-A663 PolarHBondContact O-N 2.9Å; I659-M792 HydrophobicContact CD1-CE 3.63Å; I659-E794 HydrophobicContact CD1-CB 4.39Å; I659-E794 WeakPolarHBondContact CD1-OE2 3.37Å; I659-I831 HydrophobicContact CD1-CD1 4.27Å; I659-T857 HydrophobicContact CD1-CG2 3.7Å; I659-T857 HydrophobicContact CG1-CG2 4.1Å; I659-T857 HydrophobicContact CG2-CG2 4.36Å; I659-N861 HydrophobicContact CG2-CB 3.89Å; I659-N861 WeakPolarHBondContact CG2-ND2 3.49Å
660	S	93.1	Very high	86.8	Confident	24 Å²	24	21.9 Å²	21.9	17%	0.168	14%	0.137	C	C	.	.	H	α-helix	trans	-57.5	-39.1	-179.2	57.4	0	0	0	0	113.2	N646 A663 A664	N646-S660 PolarHBondContact ND2-O 3.4Å; N646-S660 PolarHBondContact OD1-O 2.96Å; S660-A663 PolarHBondContact O-N 2.94Å; S660-A664 PolarHBondContact O-N 3.2Å
661	T	93.1	Very high	88	Confident	3 Å²	3	22.2 Å²	22.2	2%	0.018	14%	0.141	C	C	.	.	H	α-helix	trans	-68.5	-40.1	178.4	-55	0	0	0	0	111.5	N658 I659 A664 F665 S688 L692	N658-T661 PolarHBondContact O-N 3.06Å; I659-T661 VanDerWaalsContact C-N 3.29Å; I659-T661 PolarHBondContact O-N 3.39Å; T661-A664 WeakPolarHBondContact O-CB 3.39Å; T661-A664 PolarHBondContact O-N 2.9Å; T661-F665 HydrophobicContact CG2-CE2 4.39Å; T661-F665 VanDerWaalsContact O-CD2 3.31Å; T661-F665 WeakPolarHBondContact O-CD2 3.13Å; T661-S688 WeakPolarHBondContact OG1-CB 3.4Å; T661-L692 HydrophobicContact CG2-CD2 4.32Å; T661-L692 HydrophobicContact CG2-CG 4.44Å
662	T	96.1	Very high	89.6	Confident	2 Å²	2	21.2 Å²	21.2	1%	0.012	13%	0.127	C	C	.	.	H	α-helix	trans	-67.3	-44.6	176.4	-51.9	0	0	0	0	110.9	N658 I659 A664 F665 V666 L843 V846 L847 V858	N658-T662 PolarHBondContact O-N 3.45Å; N658-T662 PolarHBondContact O-OG1 3.27Å; I659-T662 PolarHBondContact O-N 3.28Å; I659-T662 VanDerWaalsContact O-N 3.12Å; T662-A664 VanDerWaalsContact C-N 3.25Å; T662-A664 PolarHBondContact O-N 2.74Å; T662-F665 PolarHBondContact O-N 3.11Å; T662-V666 PolarHBondContact O-N 3.45Å; T662-L843 HydrophobicContact CG2-CG 4.12Å; T662-V846 HydrophobicContact CG2-CB 4.01Å; T662-V846 HydrophobicContact CG2-CG1 3.83Å; T662-L847 HydrophobicContact CG2-CD2 4.4Å; T662-V858 HydrophobicContact CG2-CG1 4.13Å; T662-V858 HydrophobicContact CG2-CG2 3.73Å
663	A	97.1	Very high	91.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.1	-30.1	176.8	0	0	0	0	0	112.9	I659 S660 F665 V666 L667 V858 N861 A862	I659-A663 WeakPolarHBondContact O-CB 3.26Å; I659-A663 PolarHBondContact O-N 2.9Å; S660-A663 PolarHBondContact O-N 2.94Å; A663-F665 VanDerWaalsContact C-N 3.35Å; A663-F665 PolarHBondContact O-N 3.44Å; A663-V666 WeakPolarHBondContact O-CB 3.28Å; A663-V666 PolarHBondContact O-N 3.24Å; A663-V666 VanDerWaalsContact O-N 3.15Å; A663-L667 WeakPolarHBondContact O-CG 3.48Å; A663-L667 PolarHBondContact O-N 3.05Å; A663-V858 HydrophobicContact CB-CG1 4.46Å; A663-N861 HydrophobicContact CB-CB 4.41Å; A663-A862 HydrophobicContact CB-CB 4.21Å
664	A	96.9	Very high	92.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.4	-41.5	176.1	0	0	0	0	0	112.4	N646 S660 T661 T662 V666 L667 A668 M674 K676 I715	N646-A664 WeakPolarHBondContact OD1-CB 3.35Å; S660-A664 PolarHBondContact O-N 3.2Å; T661-A664 WeakPolarHBondContact O-CB 3.39Å; T661-A664 PolarHBondContact O-N 2.9Å; T662-A664 VanDerWaalsContact C-N 3.25Å; T662-A664 PolarHBondContact O-N 2.74Å; A664-V666 VanDerWaalsContact C-N 3.29Å; A664-V666 PolarHBondContact O-N 2.95Å; A664-L667 PolarHBondContact O-N 3.04Å; A664-A668 WeakPolarHBondContact O-CB 3.44Å; A664-A668 PolarHBondContact O-N 3.27Å; A664-M674 HydrophobicContact CB-CE 4.19Å; A664-M674 WeakPolarHBondContact O-CG 3.3Å; A664-K676 HydrophobicContact CB-CD 3.84Å; A664-K676 HydrophobicContact CB-CG 4.35Å; A664-I715 HydrophobicContact CB-CD1 3.98Å
665	F	97.4	Very high	93.8	Very high	4 Å²	4	13 Å²	13	2%	0.018	9%	0.087	C	C	.	.	H	α-helix	trans	-65.7	-34	175.2	-70.9	-70.1	0	0	0	112.2	T661 T662 A663 G669 L692 I715 L843 L847 A891 R894 L895 L898	T661-F665 HydrophobicContact CG2-CE2 4.39Å; T661-F665 VanDerWaalsContact O-CD2 3.31Å; T661-F665 WeakPolarHBondContact O-CD2 3.13Å; T662-F665 PolarHBondContact O-N 3.11Å; A663-F665 VanDerWaalsContact C-N 3.35Å; A663-F665 PolarHBondContact O-N 3.44Å; F665-G669 PolarHBondContact O-N 3.4Å; F665-L692 HydrophobicContact CE2-CD2 4.1Å; F665-L692 HydrophobicContact CZ-CD2 3.91Å; F665-I715 HydrophobicContact CD1-CD1 3.92Å; F665-I715 HydrophobicContact CD1-CG2 4.42Å; F665-I715 HydrophobicContact CE1-CD1 3.97Å; F665-I715 HydrophobicContact CE1-CG2 4.25Å; F665-I715 HydrophobicContact CG-CD1 4.39Å; F665-L843 HydrophobicContact CD2-CD1 4.32Å; F665-L843 HydrophobicContact CE2-CD1 4.22Å; F665-L847 HydrophobicContact CB-CD1 3.97Å; F665-L847 HydrophobicContact CB-CD2 3.95Å; F665-L847 HydrophobicContact CD2-CD1 4.4Å; F665-L847 HydrophobicContact CG-CD1 4.23Å; F665-A891 WeakPolarHBondContact O-CA 3.43Å; F665-R894 HydrophobicContact CD1-CB 4.43Å; F665-L895 HydrophobicContact CD1-CB 3.9Å; F665-L895 HydrophobicContact CE1-CB 3.89Å; F665-L895 HydrophobicContact CE1-CD1 3.84Å; F665-L895 HydrophobicContact CE1-CG 4.49Å; F665-L895 HydrophobicContact CE2-CD1 4.24Å; F665-L895 HydrophobicContact CG-CB 4.47Å; F665-L895 HydrophobicContact CZ-CB 4.43Å; F665-L895 HydrophobicContact CZ-CD1 3.63Å; F665-L898 HydrophobicContact CE1-CD2 3.97Å; F665-L898 HydrophobicContact CZ-CD2 4.15Å
666	V	98.2	Very high	94.5	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-67.2	-45	174.8	-177.1	0	0	0	0	111.1	T662 A663 A664 A668 G669 G670 L847 V858 A862 F866 A882 S885 I886 A891	T662-V666 PolarHBondContact O-N 3.45Å; A663-V666 WeakPolarHBondContact O-CB 3.28Å; A663-V666 PolarHBondContact O-N 3.24Å; A663-V666 VanDerWaalsContact O-N 3.15Å; A664-V666 VanDerWaalsContact C-N 3.29Å; A664-V666 PolarHBondContact O-N 2.95Å; V666-A668 PolarHBondContact O-N 3.39Å; V666-G669 PolarHBondContact O-N 2.84Å; V666-G670 PolarHBondContact O-N 3.23Å; V666-L847 HydrophobicContact CG2-CD2 3.89Å; V666-V858 HydrophobicContact CG2-CG1 3.82Å; V666-A862 HydrophobicContact CB-CB 4.01Å; V666-A862 HydrophobicContact CG1-CB 3.76Å; V666-F866 HydrophobicContact CG1-CE2 4.38Å; V666-A882 HydrophobicContact CG1-CB 3.88Å; V666-A882 WeakPolarHBondContact CG1-O 3.45Å; V666-S885 PolarHBondContact O-OG 3.04Å; V666-I886 HydrophobicContact CG1-CD1 4.31Å; V666-I886 HydrophobicContact CG1-CG1 4.03Å; V666-I886 HydrophobicContact CG2-CD1 3.86Å; V666-I886 HydrophobicContact CG2-CG1 3.76Å; V666-A891 HydrophobicContact CB-CB 4.49Å; V666-A891 HydrophobicContact CG2-CB 4.23Å
667	L	97.9	Very high	94.8	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.2	-43.9	175.4	-67.2	167.1	0	0	0	111.9	M644 N646 A663 A664 G669 G670 G671 I672 M674 A862 F866	M644-L667 HydrophobicContact SD-CD1 4.44Å; N646-L667 HydrophobicContact CB-CD1 4.42Å; A663-L667 WeakPolarHBondContact O-CG 3.48Å; A663-L667 PolarHBondContact O-N 3.05Å; A664-L667 PolarHBondContact O-N 3.04Å; L667-G669 VanDerWaalsContact C-N 3.31Å; L667-G669 PolarHBondContact O-N 3.37Å; L667-G670 WeakPolarHBondContact O-CA 3.38Å; L667-G670 PolarHBondContact O-N 3.15Å; L667-G670 VanDerWaalsContact O-N 3.15Å; L667-G671 PolarHBondContact O-N 3.01Å; L667-G671 VanDerWaalsContact O-N 3.14Å; L667-I672 HydrophobicContact CB-CD1 4.37Å; L667-I672 HydrophobicContact CD2-CD1 3.83Å; L667-I672 PolarHBondContact O-N 2.9Å; L667-I672 VanDerWaalsContact O-N 3.08Å; L667-M674 HydrophobicContact CB-CE 4.43Å; L667-M674 HydrophobicContact CB-CG 4.08Å; L667-M674 HydrophobicContact CB-SD 3.64Å; L667-M674 HydrophobicContact CD1-CE 3.89Å; L667-M674 HydrophobicContact CD1-SD 4.01Å; L667-M674 HydrophobicContact CG-SD 4.47Å; L667-A862 WeakPolarHBondContact CD2-O 3.37Å; L667-F866 HydrophobicContact CD2-CD1 4.1Å; L667-F866 HydrophobicContact CD2-CD2 3.89Å; L667-F866 HydrophobicContact CD2-CE1 4.18Å; L667-F866 HydrophobicContact CD2-CE2 3.92Å; L667-F866 HydrophobicContact CD2-CG 3.96Å; L667-F866 HydrophobicContact CD2-CZ 4.09Å
668	A	97.1	Very high	94.6	Very high	1 Å²	1	9 Å²	9	1%	0.008	7%	0.07	C	C	.	.	H	α-helix	trans	-62.9	-37.2	174.5	0	0	0	0	0	112.6	A664 V666 G670 G671 I672 M674 I715 R894	A664-A668 WeakPolarHBondContact O-CB 3.44Å; A664-A668 PolarHBondContact O-N 3.27Å; V666-A668 PolarHBondContact O-N 3.39Å; A668-G670 VanDerWaalsContact C-N 3.29Å; A668-G671 WeakPolarHBondContact O-CA 3.23Å; A668-G671 PolarHBondContact O-N 3.14Å; A668-I672 VanDerWaalsContact CA-O 3.31Å; A668-I672 WeakPolarHBondContact CA-O 3.33Å; A668-M674 HydrophobicContact CB-CB 4.39Å; A668-M674 HydrophobicContact CB-CG 3.91Å; A668-I715 HydrophobicContact CB-CB 3.98Å; A668-I715 HydrophobicContact CB-CD1 4.32Å; A668-I715 HydrophobicContact CB-CG2 4.39Å; A668-R894 HydrophobicContact CB-CB 4.26Å; A668-R894 HydrophobicContact CB-CG 3.94Å; A668-R894 PolarHBondContact O-NE 3.12Å
669	G	96.9	Very high	94.3	Very high	12 Å²	12	11.3 Å²	11.3	12%	0.124	8%	0.082	C	C	.	.	H	α-helix	trans	-66.7	-33.8	174.9	0	0	0	0	0	111.7	F665 V666 L667 G671 S885 A890	F665-G669 PolarHBondContact O-N 3.4Å; V666-G669 PolarHBondContact O-N 2.84Å; L667-G669 VanDerWaalsContact C-N 3.31Å; L667-G669 PolarHBondContact O-N 3.37Å; G669-G671 PolarHBondContact O-N 3.15Å; G669-S885 VanDerWaalsContact CA-OG 3.29Å; G669-S885 WeakPolarHBondContact CA-OG 3.34Å; G669-A890 WeakPolarHBondContact O-CB 3.44Å
670	G	95.8	Very high	93.6	Very high	13 Å²	13	16.1 Å²	16.1	13%	0.134	10%	0.1	C	C	.	.	H	α-helix	trans	-65.6	-24.3	169.3	0	0	0	0	0	112.6	V666 L667 A668 R871 S885	V666-G670 PolarHBondContact O-N 3.23Å; L667-G670 WeakPolarHBondContact O-CA 3.38Å; L667-G670 PolarHBondContact O-N 3.15Å; L667-G670 VanDerWaalsContact O-N 3.15Å; A668-G670 VanDerWaalsContact C-N 3.29Å; G670-R871 PolarHBondContact O-NH1 3.31Å; G670-R871 PolarHBondContact O-NH2 2.83Å; G670-S885 PolarHBondContact N-OG 2.95Å
671	G	94.5	Very high	92.4	Very high	42 Å²	42	16.9 Å²	16.9	43%	0.433	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	108.2	15	178.7	0	0	0	0	0	114.4	L667 A668 G669	L667-G671 PolarHBondContact O-N 3.01Å; L667-G671 VanDerWaalsContact O-N 3.14Å; A668-G671 WeakPolarHBondContact O-CA 3.23Å; A668-G671 PolarHBondContact O-N 3.14Å; G669-G671 PolarHBondContact O-N 3.15Å
672	I	95.3	Very high	90.8	Very high	12 Å²	12	24.3 Å²	24.3	6%	0.062	14%	0.144	C	C	.	.			trans	-84.6	122.3	170.8	-61.6	165.8	0	0	0	108.2	M644 L667 A668 M674 F866 S869	M644-I672 HydrophobicContact CB-CG2 3.61Å; M644-I672 HydrophobicContact CG-CG2 4.45Å; M644-I672 HydrophobicContact SD-CG2 4.17Å; L667-I672 HydrophobicContact CB-CD1 4.37Å; L667-I672 HydrophobicContact CD2-CD1 3.83Å; L667-I672 PolarHBondContact O-N 2.9Å; L667-I672 VanDerWaalsContact O-N 3.08Å; A668-I672 VanDerWaalsContact CA-O 3.31Å; A668-I672 WeakPolarHBondContact CA-O 3.33Å; I672-M674 HydrophobicContact CB-SD 4.43Å; I672-M674 HydrophobicContact CG2-SD 3.88Å; I672-M674 WeakPolarHBondContact O-CG 3.4Å; I672-M674 PolarHBondContact O-N 3.14Å; I672-F866 HydrophobicContact CD1-CD1 3.54Å; I672-F866 HydrophobicContact CD1-CE1 3.68Å; I672-F866 HydrophobicContact CD1-CG 4.49Å; I672-F866 HydrophobicContact CG1-CE1 4.38Å; I672-S869 WeakPolarHBondContact CD1-OG 3.45Å
673	P	95.5	Very high	88.7	Confident	28 Å²	28	26.2 Å²	26.2	18%	0.182	16%	0.157	C	C	.	.			trans	-62.7	121	174.6	-20.5	32	0	0	0	111.3	P640 V643 M644 L710 G714	P640-P673 HydrophobicContact CB-CB 4.42Å; P640-P673 HydrophobicContact CB-CG 4.44Å; P640-P673 HydrophobicContact CG-CB 3.88Å; P640-P673 HydrophobicContact CG-CG 4.41Å; V643-P673 WeakPolarHBondContact CA-O 3.02Å; V643-P673 HydrophobicContact CB-CB 4.49Å; M644-P673 PolarHBondContact N-O 2.84Å; P673-L710 HydrophobicContact CB-CD1 4.35Å; P673-G714 WeakPolarHBondContact CA-O 3.38Å
674	M	96.4	Very high	87	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	110.8	-173.6	-67.6	-57.2	-59.4	0	0	112.8	M644 N646 A664 L667 A668 I672 K676 L710 G714 I715 A716	M644-M674 HydrophobicContact CB-CE 4.49Å; M644-M674 HydrophobicContact CB-SD 3.91Å; M644-M674 HydrophobicContact CG-CE 4.33Å; M644-M674 HydrophobicContact CG-SD 4.2Å; M644-M674 CarbonylContact O-C 3.49Å; M644-M674 WeakPolarHBondContact O-CA 3.37Å; N646-M674 HydrophobicContact CB-CE 4.28Å; N646-M674 WeakPolarHBondContact OD1-CE 3.13Å; A664-M674 HydrophobicContact CB-CE 4.19Å; A664-M674 WeakPolarHBondContact O-CG 3.3Å; L667-M674 HydrophobicContact CB-CE 4.43Å; L667-M674 HydrophobicContact CB-CG 4.08Å; L667-M674 HydrophobicContact CB-SD 3.64Å; L667-M674 HydrophobicContact CD1-CE 3.89Å; L667-M674 HydrophobicContact CD1-SD 4.01Å; L667-M674 HydrophobicContact CG-SD 4.47Å; A668-M674 HydrophobicContact CB-CB 4.39Å; A668-M674 HydrophobicContact CB-CG 3.91Å; I672-M674 HydrophobicContact CB-SD 4.43Å; I672-M674 HydrophobicContact CG2-SD 3.88Å; I672-M674 WeakPolarHBondContact O-CG 3.4Å; I672-M674 PolarHBondContact O-N 3.14Å; M674-K676 PolarHBondContact O-N 2.79Å; M674-L710 VanDerWaalsContact O-CD1 3.23Å; M674-L710 WeakPolarHBondContact O-CD1 3.29Å; M674-G714 PolarHBondContact N-O 3.21Å; M674-I715 HydrophobicContact CB-CB 4.09Å; M674-I715 HydrophobicContact CB-CD1 3.87Å; M674-I715 HydrophobicContact CB-CG1 3.75Å; M674-I715 CarbonylContact O-C 3.57Å; M674-I715 VanDerWaalsContact O-CA 3.3Å; M674-I715 WeakPolarHBondContact O-CA 3.34Å; M674-A716 PolarHBondContact O-N 3.03Å
675	A	94.2	Very high	85.3	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	71.8	171.3	0	0	0	0	0	110.1	V643 M644 H677 L710 L718 N751 Y753 L755	V643-A675 HydrophobicContact CG2-CB 3.67Å; M644-A675 PolarHBondContact O-N 3.45Å; A675-H677 PolarHBondContact O-N 3.09Å; A675-H677 VanDerWaalsContact O-N 3.12Å; A675-L710 HydrophobicContact CB-CD2 4.32Å; A675-L718 HydrophobicContact CB-CD1 4.04Å; A675-N751 PolarHBondContact O-ND2 3.05Å; A675-Y753 HydrophobicContact CB-CD2 3.68Å; A675-Y753 HydrophobicContact CB-CE2 4.21Å; A675-Y753 HydrophobicContact CB-CG 4.43Å; A675-L755 HydrophobicContact CB-CD2 4.21Å
676	K	92.5	Very high	84	Confident	8 Å²	8	35.9 Å²	35.9	4%	0.035	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	107.1	-168.5	-178	71.2	-177.6	89.6	0	111.8	D645 N646 A664 M674 A716 F717 L718	D645-K676 WeakPolarHBondContact OD1-CA 3.47Å; N646-K676 WeakPolarHBondContact O-CD 3.48Å; N646-K676 WeakPolarHBondContact O-CE 3.22Å; N646-K676 PolarHBondContact O-NZ 3.38Å; N646-K676 WeakPolarHBondContact OD1-CD 3.5Å; N646-K676 WeakPolarHBondContact OD1-CE 3.4Å; A664-K676 HydrophobicContact CB-CD 3.84Å; A664-K676 HydrophobicContact CB-CG 4.35Å; M674-K676 PolarHBondContact O-N 2.79Å; K676-A716 PolarHBondContact N-O 2.93Å; K676-F717 HydrophobicContact CB-CD2 4.48Å; K676-F717 HydrophobicContact CG-CD2 4.22Å; K676-F717 WeakPolarHBondContact O-CD2 3.27Å; K676-L718 PolarHBondContact O-N 3.12Å
677	H	89.7	Confident	83	Confident	9 Å²	9	36.2 Å²	36.2	4%	0.042	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	143	172.9	-158.6	-147.6	0	0	0	110.6	D645 A675 L718 A720 H724 G747	D645-H677 PolarHBondContact OD1-N 3.31Å; D645-H677 WeakPolarHBondContact OD2-CB 3.13Å; D645-H677 PolarHBondContact OD2-N 2.9Å; A675-H677 PolarHBondContact O-N 3.09Å; A675-H677 VanDerWaalsContact O-N 3.12Å; H677-L718 PolarHBondContact CD2-O 3.4Å; H677-L718 VanDerWaalsContact CD2-O 3.29Å; H677-A720 VanDerWaalsContact NE2-CA 3.28Å; H677-A720 WeakPolarHBondContact NE2-CA 3.22Å; H677-A720 WeakPolarHBondContact NE2-CB 3.48Å; H677-H724 AromaticContact CE1-CD2 3.82Å; H677-H724 AromaticContact CE1-NE2 3.74Å; H677-H724 AromaticContact NE2-CD2 3.62Å; H677-H724 AromaticContact NE2-NE2 3.58Å; H677-G747 PolarHBondContact ND1-O 3.16Å
678	G	85.5	Confident	82.2	Confident	13 Å²	13	36.7 Å²	36.7	13%	0.134	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.3	172	179.8	0	0	0	0	0	115.4	L718 A720	G678-L718 PolarHBondContact N-O 2.8Å; G678-A720 WeakPolarHBondContact O-CB 3.42Å; G678-A720 PolarHBondContact O-N 3.4Å
679	N	82.9	Confident	81.6	Confident	66 Å²	66	36.7 Å²	36.7	35%	0.353	21%	0.211	S	C	.	.			trans	-141.6	170.9	-177.4	-156.3	-9	0	0	0	110.8	S688 P721	N679-S688 PolarHBondContact O-N 2.99Å; N679-S688 PolarHBondContact O-OG 3.06Å; N679-P721 WeakPolarHBondContact OD1-CG 3.46Å
680	R	80.2	Confident	81.1	Confident	102 Å²	102	37.7 Å²	37.7	39%	0.385	21%	0.213	S	C	.	.			trans	-69.4	159.8	166.7	-67.1	-174.8	-178.8	-83.2	4.5	110.3	A689 D690 E693 F719	R680-A689 HydrophobicContact CG-CB 3.68Å; R680-D690 IonicContact CZ-OD1 3.69Å; R680-D690 IonicContact NH1-OD1 2.82Å; R680-D690 PolarHBondContact NH1-OD1 3.26Å; R680-E693 IonicContact CZ-OE2 3.35Å; R680-E693 VanDerWaalsContact CZ-OE2 3.26Å; R680-E693 IonicContact NH1-OE2 3.86Å; R680-E693 PolarHBondContact NH1-OE2 2.99Å; R680-E693 IonicContact NH2-OE2 2.97Å; R680-E693 PolarHBondContact NH2-OE2 3.1Å; R680-F719 HydrophobicContact CG-CE2 4Å; R680-F719 HydrophobicContact CG-CZ 4.12Å
681	S	67.8	Low	80.9	Confident	39 Å²	39	37.1 Å²	37.1	27%	0.273	21%	0.207	S	C	.	.			trans	-60.9	141.5	179.7	-171	0	0	0	0	112.8	S684 D690	S681-S684 WeakPolarHBondContact CB-O 3.33Å; S681-S684 WeakPolarHBondContact OG-CA 3.44Å; S681-S684 PolarHBondContact OG-N 3.36Å; S681-S684 PolarHBondContact OG-O 3.44Å; S681-S684 PolarHBondContact OG-OG 2.88Å; S681-S684 VanDerWaalsContact OG-OG 3.11Å; S681-D690 PolarHBondContact N-OD2 3.1Å; S681-D690 VanDerWaalsContact N-OD2 3.17Å
682	I	59.2	Low	80.7	Confident	160 Å²	160	35.3 Å²	35.3	82%	0.821	19%	0.187	S	C	*	.	S	Bend	trans	-110.6	-39.2	164.5	-57.2	174.8	0	0	0	110.6
683	S	52	Low	80.4	Confident	41 Å²	41	39.4 Å²	39.4	29%	0.287	21%	0.207	S	C	.	.	S	Bend	trans	-122.5	-21	-174.1	59.6	0	0	0	0	115.5
684	S	60.2	Low	80.1	Confident	41 Å²	41	40.2 Å²	40.2	29%	0.287	21%	0.211	S	C	.	.	S	Bend	trans	-95.4	173.8	179	75.3	0	0	0	0	111.7	S681 S686	S681-S684 WeakPolarHBondContact CB-O 3.33Å; S681-S684 WeakPolarHBondContact OG-CA 3.44Å; S681-S684 PolarHBondContact OG-N 3.36Å; S681-S684 PolarHBondContact OG-O 3.44Å; S681-S684 PolarHBondContact OG-OG 2.88Å; S681-S684 VanDerWaalsContact OG-OG 3.11Å; S684-S686 VanDerWaalsContact C-N 3.3Å; S684-S686 PolarHBondContact O-N 3.03Å; S684-S686 PolarHBondContact OG-O 3.23Å
685	K	62.8	Low	79.9	Confident	164 Å²	164	41 Å²	41	71%	0.713	22%	0.215	S	C	*	.	S	Bend	trans	-73.9	-19	177.7	-72	-177.4	179.5	178.4	0	113.6	G834	K685-G834 WeakPolarHBondContact CB-O 3.4Å
686	S	69.5	Low	79.6	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.014	24%	0.24	C	C	.	.			trans	-158.3	135.6	174.9	67.1	0	0	0	0	112	N658 S684 N839	N658-S686 PolarHBondContact ND2-O 3.46Å; N658-S686 PolarHBondContact OD1-O 3.16Å; N658-S686 PolarHBondContact OD1-OG 2.92Å; S684-S686 VanDerWaalsContact C-N 3.3Å; S684-S686 PolarHBondContact O-N 3.03Å; S684-S686 PolarHBondContact OG-O 3.23Å; S686-N839 PolarHBondContact OG-ND2 3.4Å
687	G	77.4	Confident	79.5	Confident	7 Å²	7	43.2 Å²	43.2	7%	0.072	24%	0.239	C	C	.	.			trans	-88.4	178.4	172.4	0	0	0	0	0	112	N658 A689 D690 I691	N658-G687 PolarHBondContact ND2-O 2.9Å; G687-A689 VanDerWaalsContact C-N 3.33Å; G687-A689 PolarHBondContact O-N 3.19Å; G687-D690 WeakPolarHBondContact CA-OD2 3.49Å; G687-D690 PolarHBondContact N-OD2 2.76Å; G687-D690 PolarHBondContact O-N 3.24Å; G687-I691 PolarHBondContact O-N 3.38Å
688	S	81.5	Confident	79.4	Confident	11 Å²	11	46.7 Å²	46.7	8%	0.077	26%	0.261	C	S	.	.	H	α-helix	trans	-63.2	-42.4	178.2	52.7	0	0	0	0	111.5	N658 T661 N679 D690 I691 L692 F717	N658-S688 PolarHBondContact ND2-N 3.38Å; T661-S688 WeakPolarHBondContact OG1-CB 3.4Å; N679-S688 PolarHBondContact O-N 2.99Å; N679-S688 PolarHBondContact O-OG 3.06Å; S688-D690 VanDerWaalsContact C-N 3.3Å; S688-D690 PolarHBondContact O-N 2.95Å; S688-I691 PolarHBondContact O-N 3.36Å; S688-L692 WeakPolarHBondContact O-CB 3.15Å; S688-L692 VanDerWaalsContact O-CG 3.22Å; S688-L692 WeakPolarHBondContact O-CG 3.41Å; S688-L692 PolarHBondContact O-N 2.92Å; S688-L692 VanDerWaalsContact O-N 3.07Å; S688-F717 WeakPolarHBondContact OG-CE2 3.44Å
689	A	85	Confident	79.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.5	-41.7	175.3	0	0	0	0	0	112.5	R680 G687 I691 L692 E693 L699 F717 F719	R680-A689 HydrophobicContact CG-CB 3.68Å; G687-A689 VanDerWaalsContact C-N 3.33Å; G687-A689 PolarHBondContact O-N 3.19Å; A689-I691 PolarHBondContact O-N 3.44Å; A689-L692 PolarHBondContact O-N 2.92Å; A689-E693 WeakPolarHBondContact O-CB 3.4Å; A689-E693 PolarHBondContact O-N 3.49Å; A689-L699 HydrophobicContact CB-CD1 3.78Å; A689-L699 HydrophobicContact CB-CD2 4.03Å; A689-L699 WeakPolarHBondContact O-CD2 3.37Å; A689-F717 HydrophobicContact CB-CE1 4.17Å; A689-F717 HydrophobicContact CB-CZ 4.1Å; A689-F719 HydrophobicContact CB-CD2 4.06Å; A689-F719 HydrophobicContact CB-CE2 3.85Å
690	D	86.2	Confident	79.4	Confident	33 Å²	33	47.9 Å²	47.9	18%	0.176	27%	0.267	C	S	.	.	H	α-helix	trans	-67.1	-38.1	-175.9	-53.7	-49.9	0	0	0	111.5	R680 S681 G687 S688 V694 A836	R680-D690 IonicContact CZ-OD1 3.69Å; R680-D690 IonicContact NH1-OD1 2.82Å; R680-D690 PolarHBondContact NH1-OD1 3.26Å; S681-D690 PolarHBondContact N-OD2 3.1Å; S681-D690 VanDerWaalsContact N-OD2 3.17Å; G687-D690 WeakPolarHBondContact CA-OD2 3.49Å; G687-D690 PolarHBondContact N-OD2 2.76Å; G687-D690 PolarHBondContact O-N 3.24Å; S688-D690 VanDerWaalsContact C-N 3.3Å; S688-D690 PolarHBondContact O-N 2.95Å; D690-V694 WeakPolarHBondContact O-CG2 3.31Å; D690-V694 PolarHBondContact O-N 2.86Å; D690-A836 HydrophobicContact CB-CB 4.22Å
691	I	90	Very high	79.6	Confident	1 Å²	1	44 Å²	44	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-72.9	-43.2	176.6	-67.7	169.6	0	0	0	111.9	N658 G687 S688 A689 E693 V694 L695 A836 N839 K840 L843	N658-I691 HydrophobicContact CB-CD1 3.5Å; N658-I691 VanDerWaalsContact CB-CD1 3.5Å; N658-I691 WeakPolarHBondContact OD1-CD1 2.93Å; G687-I691 PolarHBondContact O-N 3.38Å; S688-I691 PolarHBondContact O-N 3.36Å; A689-I691 PolarHBondContact O-N 3.44Å; I691-E693 VanDerWaalsContact C-N 3.26Å; I691-E693 PolarHBondContact O-N 3.17Å; I691-V694 CarbonylContact O-C 3.44Å; I691-V694 PolarHBondContact O-N 3Å; I691-L695 HydrophobicContact CG2-CD1 3.79Å; I691-L695 HydrophobicContact CG2-CG 4.34Å; I691-L695 WeakPolarHBondContact O-CG 3.42Å; I691-L695 PolarHBondContact O-N 3.13Å; I691-A836 HydrophobicContact CG1-CB 4.47Å; I691-N839 HydrophobicContact CD1-CB 3.29Å; I691-N839 HydrophobicContact CG1-CB 3.9Å; I691-K840 HydrophobicContact CG2-CB 4.42Å; I691-L843 HydrophobicContact CG2-CD1 4.24Å
692	L	90	Very high	80.5	Confident	4 Å²	4	44.8 Å²	44.8	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-62.2	-38.8	-179.5	-67.9	172.7	0	0	0	110.6	T661 F665 S688 A689 V694 L695 G696 I697 L699 F717	T661-L692 HydrophobicContact CG2-CD2 4.32Å; T661-L692 HydrophobicContact CG2-CG 4.44Å; F665-L692 HydrophobicContact CE2-CD2 4.1Å; F665-L692 HydrophobicContact CZ-CD2 3.91Å; S688-L692 WeakPolarHBondContact O-CB 3.15Å; S688-L692 VanDerWaalsContact O-CG 3.22Å; S688-L692 WeakPolarHBondContact O-CG 3.41Å; S688-L692 PolarHBondContact O-N 2.92Å; S688-L692 VanDerWaalsContact O-N 3.07Å; A689-L692 PolarHBondContact O-N 2.92Å; L692-V694 PolarHBondContact O-N 2.89Å; L692-L695 HydrophobicContact CD2-CD1 4.39Å; L692-L695 CarbonylContact O-C 3.56Å; L692-L695 WeakPolarHBondContact O-CA 3.38Å; L692-L695 WeakPolarHBondContact O-CB 3.18Å; L692-L695 PolarHBondContact O-N 3.21Å; L692-L695 VanDerWaalsContact O-N 3.13Å; L692-G696 PolarHBondContact O-N 3.41Å; L692-I697 HydrophobicContact CB-CB 4.11Å; L692-I697 HydrophobicContact CB-CD1 4.3Å; L692-I697 HydrophobicContact CB-CG2 4.36Å; L692-I697 HydrophobicContact CD2-CD1 3.55Å; L692-I697 HydrophobicContact CG-CD1 4.49Å; L692-I697 VanDerWaalsContact O-CB 3.3Å; L692-I697 WeakPolarHBondContact O-CB 3.27Å; L692-I697 PolarHBondContact O-N 3.35Å; L692-L699 HydrophobicContact CB-CD2 4.1Å; L692-F717 HydrophobicContact CD1-CB 3.77Å; L692-F717 HydrophobicContact CD1-CD1 3.78Å; L692-F717 HydrophobicContact CD1-CD2 3.19Å; L692-F717 HydrophobicContact CD1-CE1 4.13Å; L692-F717 HydrophobicContact CD1-CE2 3.59Å; L692-F717 HydrophobicContact CD1-CG 3.27Å; L692-F717 HydrophobicContact CD1-CZ 4.04Å
693	E	90	Very high	81.8	Confident	99 Å²	99	38.6 Å²	38.6	46%	0.463	23%	0.231	S	C	.	.	H	α-helix	trans	-61.2	-44	173.8	-166.8	172.7	170.2	0	0	112	R680 A689 I691 L695 G696 L699	R680-E693 IonicContact CZ-OE2 3.35Å; R680-E693 VanDerWaalsContact CZ-OE2 3.26Å; R680-E693 IonicContact NH1-OE2 3.86Å; R680-E693 PolarHBondContact NH1-OE2 2.99Å; R680-E693 IonicContact NH2-OE2 2.97Å; R680-E693 PolarHBondContact NH2-OE2 3.1Å; A689-E693 WeakPolarHBondContact O-CB 3.4Å; A689-E693 PolarHBondContact O-N 3.49Å; I691-E693 VanDerWaalsContact C-N 3.26Å; I691-E693 PolarHBondContact O-N 3.17Å; E693-L695 PolarHBondContact O-N 3.4Å; E693-G696 WeakPolarHBondContact O-CA 3.43Å; E693-G696 PolarHBondContact O-N 3.07Å; E693-L699 HydrophobicContact CB-CD1 4.33Å
694	V	90.2	Very high	83.5	Confident	44 Å²	44	42.3 Å²	42.3	27%	0.267	24%	0.243	S	C	.	.	H	α-helix	trans	-69.9	-20.5	175.5	179.6	0	0	0	0	112.9	D690 I691 L692 G696 A836 E837 K840	D690-V694 WeakPolarHBondContact O-CG2 3.31Å; D690-V694 PolarHBondContact O-N 2.86Å; I691-V694 CarbonylContact O-C 3.44Å; I691-V694 PolarHBondContact O-N 3Å; L692-V694 PolarHBondContact O-N 2.89Å; V694-G696 VanDerWaalsContact C-N 3.25Å; V694-A836 HydrophobicContact CB-CB 4.42Å; V694-A836 HydrophobicContact CG2-CB 3.66Å; V694-E837 HydrophobicContact CG1-CG 4.18Å; V694-K840 HydrophobicContact CG1-CD 3.66Å; V694-K840 PolarHBondContact O-NZ 3.42Å
695	L	90.7	Very high	84.9	Confident	18 Å²	18	41.9 Å²	41.9	9%	0.094	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-4.2	168.3	-73.3	166.7	0	0	0	112.9	I691 L692 E693 I697 K840 L843 L844 L895 I899	I691-L695 HydrophobicContact CG2-CD1 3.79Å; I691-L695 HydrophobicContact CG2-CG 4.34Å; I691-L695 WeakPolarHBondContact O-CG 3.42Å; I691-L695 PolarHBondContact O-N 3.13Å; L692-L695 HydrophobicContact CD2-CD1 4.39Å; L692-L695 CarbonylContact O-C 3.56Å; L692-L695 WeakPolarHBondContact O-CA 3.38Å; L692-L695 WeakPolarHBondContact O-CB 3.18Å; L692-L695 PolarHBondContact O-N 3.21Å; L692-L695 VanDerWaalsContact O-N 3.13Å; E693-L695 PolarHBondContact O-N 3.4Å; L695-I697 HydrophobicContact CB-CD1 4.33Å; L695-K840 HydrophobicContact CD2-CD 3.9Å; L695-K840 HydrophobicContact CD2-CG 3.76Å; L695-K840 HydrophobicContact CG-CD 4.29Å; L695-K840 HydrophobicContact CG-CG 4.27Å; L695-L843 HydrophobicContact CD1-CD1 4.26Å; L695-L843 HydrophobicContact CD1-CD2 4.27Å; L695-L844 HydrophobicContact CD2-CD2 4.33Å; L695-L895 HydrophobicContact CD1-CD1 3.98Å; L695-L895 HydrophobicContact CD2-CD2 4.23Å; L695-I899 WeakPolarHBondContact O-CD1 3.48Å
696	G	88.8	Confident	86.1	Confident	50 Å²	50	34.2 Å²	34.2	52%	0.515	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	15.9	179.5	0	0	0	0	0	114.2	L692 E693 V694	L692-G696 PolarHBondContact O-N 3.41Å; E693-G696 WeakPolarHBondContact O-CA 3.43Å; E693-G696 PolarHBondContact O-N 3.07Å; V694-G696 VanDerWaalsContact C-N 3.25Å
697	I	89.2	Confident	87.1	Confident	3 Å²	3	35.1 Å²	35.1	2%	0.015	21%	0.208	C	C	.	.			trans	-90.8	123.8	-179.9	-62.3	166.6	0	0	0	108.9	L692 L695 L699 L895 L898 I899 Q902	L692-I697 HydrophobicContact CB-CB 4.11Å; L692-I697 HydrophobicContact CB-CD1 4.3Å; L692-I697 HydrophobicContact CB-CG2 4.36Å; L692-I697 HydrophobicContact CD2-CD1 3.55Å; L692-I697 HydrophobicContact CG-CD1 4.49Å; L692-I697 VanDerWaalsContact O-CB 3.3Å; L692-I697 WeakPolarHBondContact O-CB 3.27Å; L692-I697 PolarHBondContact O-N 3.35Å; L695-I697 HydrophobicContact CB-CD1 4.33Å; I697-L699 PolarHBondContact O-N 3.21Å; I697-L895 HydrophobicContact CD1-CD1 4.09Å; I697-L898 HydrophobicContact CD1-CD2 3.69Å; I697-L898 HydrophobicContact CD1-CG 4.11Å; I697-L898 HydrophobicContact CG1-CG 4.49Å; I697-I899 HydrophobicContact CD1-CG1 4.25Å; I697-I899 HydrophobicContact CG1-CG1 3.86Å; I697-Q902 VanDerWaalsContact CA-OE1 3.25Å
698	T	87.5	Confident	87.7	Confident	82 Å²	82	38.3 Å²	38.3	50%	0.503	22%	0.218	S	C	.	.			trans	-71.6	123.9	174.3	-56.5	0	0	0	0	109.8	V701 Q902	T698-V701 HydrophobicContact CG2-CG1 4.12Å; T698-Q902 PolarHBondContact O-NE2 3.05Å
699	L	85.3	Confident	88.2	Confident	16 Å²	16	37.9 Å²	37.9	8%	0.084	22%	0.215	C	C	.	.	S	Bend	trans	-80.2	-37.5	-174.1	-57.9	175.8	0	0	0	113.5	A689 L692 E693 I697 F717 F719	A689-L699 HydrophobicContact CB-CD1 3.78Å; A689-L699 HydrophobicContact CB-CD2 4.03Å; A689-L699 WeakPolarHBondContact O-CD2 3.37Å; L692-L699 HydrophobicContact CB-CD2 4.1Å; E693-L699 HydrophobicContact CB-CD1 4.33Å; I697-L699 PolarHBondContact O-N 3.21Å; L699-F717 HydrophobicContact CD2-CD1 3.93Å; L699-F717 HydrophobicContact CD2-CE1 3.78Å; L699-F719 HydrophobicContact CB-CG 4.41Å
700	T	83.2	Confident	88.5	Confident	89 Å²	89	38 Å²	38	55%	0.546	22%	0.216	S	C	.	.			trans	-101.6	99.9	-178	-54.8	0	0	0	0	108.9	T722	T700-T722 HydrophobicContact CG2-CG2 4.09Å
701	V	84.7	Confident	88.7	Confident	20 Å²	20	44.3 Å²	44.3	12%	0.121	24%	0.242	C	C	.	.			trans	-124.1	156	177	-70.6	0	0	0	0	109.5	T698 K705 I706	T698-V701 HydrophobicContact CG2-CG1 4.12Å; V701-K705 HydrophobicContact CB-CB 4.18Å; V701-K705 HydrophobicContact CB-CD 4.01Å; V701-K705 HydrophobicContact CB-CG 4.06Å; V701-K705 HydrophobicContact CG1-CD 3.85Å; V701-K705 HydrophobicContact CG1-CG 4.27Å; V701-I706 HydrophobicContact CG2-CD1 4.24Å; V701-I706 HydrophobicContact CG2-CG1 3.51Å
702	S	87.3	Confident	88.7	Confident	56 Å²	56	48.1 Å²	48.1	39%	0.392	26%	0.26	S	S	.	.			trans	-68.6	155.3	177.8	81	0	0	0	0	111	E704 K705 I706	S702-E704 VanDerWaalsContact C-N 3.25Å; S702-E704 WeakPolarHBondContact CB-OE2 3.42Å; S702-E704 PolarHBondContact O-N 3.37Å; S702-E704 PolarHBondContact OG-OE2 3.49Å; S702-K705 WeakPolarHBondContact O-CA 3.27Å; S702-K705 WeakPolarHBondContact O-CB 3.42Å; S702-K705 PolarHBondContact O-N 2.98Å; S702-K705 PolarHBondContact OG-N 2.78Å; S702-I706 PolarHBondContact O-N 3.48Å
703	P	86.3	Confident	88.9	Confident	30 Å²	30	48 Å²	48	20%	0.195	26%	0.259	C	S	.	.	H	α-helix	trans	-52.1	-42.1	176.5	-28.5	37.3	0	0	0	113.3	T634 M636 K705 I706 D707	T634-P703 HydrophobicContact CG2-CG 3.56Å; M636-P703 HydrophobicContact CE-CB 3.82Å; M636-P703 HydrophobicContact CE-CG 3.9Å; M636-P703 HydrophobicContact SD-CB 4.26Å; P703-K705 PolarHBondContact O-N 2.89Å; P703-I706 WeakPolarHBondContact O-CA 3.3Å; P703-I706 WeakPolarHBondContact O-CB 3.36Å; P703-I706 PolarHBondContact O-N 3.19Å; P703-D707 PolarHBondContact O-N 2.73Å
704	E	87.8	Confident	89	Confident	118 Å²	118	43.8 Å²	43.8	55%	0.551	24%	0.242	S	C	*	.	H	α-helix	trans	-61.7	-35.4	178.7	-54.1	75.1	-163.1	0	0	111.7	S702 Y708	S702-E704 VanDerWaalsContact C-N 3.25Å; S702-E704 WeakPolarHBondContact CB-OE2 3.42Å; S702-E704 PolarHBondContact O-N 3.37Å; S702-E704 PolarHBondContact OG-OE2 3.49Å; E704-Y708 WeakPolarHBondContact O-CB 3.44Å; E704-Y708 PolarHBondContact O-N 3.49Å
705	K	88.8	Confident	89.2	Confident	32 Å²	32	41.9 Å²	41.9	14%	0.139	23%	0.23	C	C	.	.	H	α-helix	trans	-73.5	-37.2	175.1	-174.7	163.3	180	163.1	0	111.2	V701 S702 P703 D707 Y708 L709 Q902 A905	V701-K705 HydrophobicContact CB-CB 4.18Å; V701-K705 HydrophobicContact CB-CD 4.01Å; V701-K705 HydrophobicContact CB-CG 4.06Å; V701-K705 HydrophobicContact CG1-CD 3.85Å; V701-K705 HydrophobicContact CG1-CG 4.27Å; S702-K705 WeakPolarHBondContact O-CA 3.27Å; S702-K705 WeakPolarHBondContact O-CB 3.42Å; S702-K705 PolarHBondContact O-N 2.98Å; S702-K705 PolarHBondContact OG-N 2.78Å; P703-K705 PolarHBondContact O-N 2.89Å; K705-D707 VanDerWaalsContact C-N 3.33Å; K705-D707 PolarHBondContact O-N 2.9Å; K705-Y708 PolarHBondContact O-N 3.37Å; K705-L709 HydrophobicContact CG-CD1 4.25Å; K705-L709 HydrophobicContact CG-CG 4.42Å; K705-L709 WeakPolarHBondContact O-CG 3.42Å; K705-L709 PolarHBondContact O-N 3.01Å; K705-Q902 WeakPolarHBondContact CE-O 3.19Å; K705-Q902 PolarHBondContact NZ-O 2.69Å; K705-A905 HydrophobicContact CD-CB 4.02Å; K705-A905 WeakPolarHBondContact CE-O 3.34Å; K705-A905 HydrophobicContact CG-CB 4.11Å; K705-A905 PolarHBondContact NZ-O 3.06Å
706	I	90	Very high	89.3	Confident	4 Å²	4	41 Å²	41	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-58.1	-48.2	172.8	-63.4	175.4	0	0	0	109.9	M636 V701 S702 P703 Y708 L709 L710 A716 L718 L723 Y753	M636-I706 HydrophobicContact SD-CB 4.48Å; M636-I706 HydrophobicContact SD-CD1 4.09Å; M636-I706 HydrophobicContact SD-CG2 4.29Å; V701-I706 HydrophobicContact CG2-CD1 4.24Å; V701-I706 HydrophobicContact CG2-CG1 3.51Å; S702-I706 PolarHBondContact O-N 3.48Å; P703-I706 WeakPolarHBondContact O-CA 3.3Å; P703-I706 WeakPolarHBondContact O-CB 3.36Å; P703-I706 PolarHBondContact O-N 3.19Å; I706-Y708 PolarHBondContact O-N 3.18Å; I706-L709 PolarHBondContact O-N 3.49Å; I706-L710 WeakPolarHBondContact O-CB 3.16Å; I706-L710 PolarHBondContact O-N 2.9Å; I706-A716 HydrophobicContact CG2-CB 3.91Å; I706-L718 HydrophobicContact CG2-CD1 3.99Å; I706-L718 HydrophobicContact CG2-CG 4.22Å; I706-L723 HydrophobicContact CD1-CD2 4.29Å; I706-Y753 HydrophobicContact CG2-CE2 4Å
707	D	88.5	Confident	89.5	Confident	20 Å²	20	39.1 Å²	39.1	11%	0.107	20%	0.204	C	C	.	.	H	α-helix	trans	-61.5	-43.9	177.7	-75.5	-59.1	0	0	0	112.7	L637 P703 K705 L709 L710 K711 Y753	L637-D707 HydrophobicContact CB-CB 4.47Å; L637-D707 VanDerWaalsContact CB-CG 3.48Å; L637-D707 WeakPolarHBondContact CB-OD2 3.46Å; L637-D707 HydrophobicContact CD1-CB 4.03Å; L637-D707 WeakPolarHBondContact CD1-OD2 3.38Å; L637-D707 WeakPolarHBondContact CG-OD2 3.44Å; L637-D707 PolarHBondContact N-OD2 3.2Å; L637-D707 VanDerWaalsContact N-OD2 3.1Å; P703-D707 PolarHBondContact O-N 2.73Å; K705-D707 VanDerWaalsContact C-N 3.33Å; K705-D707 PolarHBondContact O-N 2.9Å; D707-L709 PolarHBondContact O-N 3.23Å; D707-L710 PolarHBondContact O-N 3.47Å; D707-K711 WeakPolarHBondContact O-CB 3.32Å; D707-K711 PolarHBondContact O-N 2.93Å; D707-Y753 WeakPolarHBondContact OD1-CE1 3.21Å; D707-Y753 PolarHBondContact OD1-OH 3.49Å
708	Y	90.6	Very high	89.6	Confident	74 Å²	74	39 Å²	39	29%	0.29	20%	0.203	S	C	.	.	H	α-helix	trans	-58	-46.8	174.1	172.4	-96.1	0	0	0	111.8	E704 K705 I706 K711 E712 K901 E904 A905	E704-Y708 WeakPolarHBondContact O-CB 3.44Å; E704-Y708 PolarHBondContact O-N 3.49Å; K705-Y708 PolarHBondContact O-N 3.37Å; I706-Y708 PolarHBondContact O-N 3.18Å; Y708-K711 PolarHBondContact O-N 2.97Å; Y708-E712 HydrophobicContact CD2-CG 3.87Å; Y708-E712 HydrophobicContact CE2-CB 4.49Å; Y708-E712 HydrophobicContact CE2-CG 3.59Å; Y708-E712 HydrophobicContact CG-CG 4.46Å; Y708-E712 WeakPolarHBondContact O-CB 3.46Å; Y708-E712 WeakPolarHBondContact O-CG 3.41Å; Y708-E712 PolarHBondContact O-N 3.31Å; Y708-K901 HydrophobicContact CE1-CB 4.07Å; Y708-K901 HydrophobicContact CE1-CD 4.26Å; Y708-K901 WeakPolarHBondContact OH-CD 3.5Å; Y708-E904 PolarHBondContact OH-OE2 3.41Å; Y708-A905 HydrophobicContact CD1-CB 3.73Å; Y708-A905 HydrophobicContact CE1-CB 3.72Å
709	L	92.3	Very high	89.7	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-65.3	-43.9	179.7	-65.9	170.4	0	0	0	111.6	K705 I706 D707 K711 E712 A713 G714 A716 L898 K901 Q902	K705-L709 HydrophobicContact CG-CD1 4.25Å; K705-L709 HydrophobicContact CG-CG 4.42Å; K705-L709 WeakPolarHBondContact O-CG 3.42Å; K705-L709 PolarHBondContact O-N 3.01Å; I706-L709 PolarHBondContact O-N 3.49Å; D707-L709 PolarHBondContact O-N 3.23Å; L709-K711 VanDerWaalsContact C-N 3.28Å; L709-K711 PolarHBondContact O-N 3.47Å; L709-E712 PolarHBondContact O-N 2.83Å; L709-A713 WeakPolarHBondContact O-CA 3.06Å; L709-A713 WeakPolarHBondContact O-CB 3.42Å; L709-A713 PolarHBondContact O-N 2.86Å; L709-G714 PolarHBondContact O-N 3.39Å; L709-A716 HydrophobicContact CB-CB 4.16Å; L709-L898 HydrophobicContact CB-CD1 4.25Å; L709-L898 HydrophobicContact CD1-CD1 4.21Å; L709-L898 HydrophobicContact CD2-CD1 4.21Å; L709-L898 HydrophobicContact CG-CD1 4.44Å; L709-K901 HydrophobicContact CD2-CB 3.76Å; L709-Q902 HydrophobicContact CD1-CG 3.51Å; L709-Q902 HydrophobicContact CD2-CB 4.28Å; L709-Q902 HydrophobicContact CD2-CG 3.61Å; L709-Q902 HydrophobicContact CG-CG 4.2Å
710	L	91.4	Very high	89.7	Confident	4 Å²	4	36.3 Å²	36.3	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-40.2	179.5	-172.4	60.4	0	0	0	111.2	P640 V643 P673 M674 A675 I706 D707 G714 A716 Y753	P640-L710 HydrophobicContact CG-CD2 3.65Å; P640-L710 HydrophobicContact CG-CG 3.92Å; V643-L710 HydrophobicContact CG2-CD2 4.03Å; P673-L710 HydrophobicContact CB-CD1 4.35Å; M674-L710 VanDerWaalsContact O-CD1 3.23Å; M674-L710 WeakPolarHBondContact O-CD1 3.29Å; A675-L710 HydrophobicContact CB-CD2 4.32Å; I706-L710 WeakPolarHBondContact O-CB 3.16Å; I706-L710 PolarHBondContact O-N 2.9Å; D707-L710 PolarHBondContact O-N 3.47Å; L710-G714 CarbonylContact O-C 3.52Å; L710-G714 WeakPolarHBondContact O-CA 3.37Å; L710-G714 PolarHBondContact O-N 2.81Å; L710-G714 VanDerWaalsContact O-N 3.1Å; L710-A716 HydrophobicContact CB-CB 3.92Å; L710-A716 HydrophobicContact CD1-CB 4.37Å; L710-Y753 HydrophobicContact CD2-CE1 4.45Å; L710-Y753 HydrophobicContact CD2-CE2 4.11Å
711	K	89.7	Confident	89.7	Confident	164 Å²	164	35 Å²	35	71%	0.713	18%	0.18	S	C	*	.	H	α-helix	trans	-69.9	-47.7	178	-176.8	-178.6	172	-174.6	0	113.1	D707 Y708 L709	D707-K711 WeakPolarHBondContact O-CB 3.32Å; D707-K711 PolarHBondContact O-N 2.93Å; Y708-K711 PolarHBondContact O-N 2.97Å; L709-K711 VanDerWaalsContact C-N 3.28Å; L709-K711 PolarHBondContact O-N 3.47Å
712	E	91.2	Very high	89.7	Confident	82 Å²	82	36.8 Å²	36.8	38%	0.383	19%	0.191	S	C	.	.	H	α-helix	trans	-90.9	-32.8	-170	-61.5	-62.7	135.7	0	0	113.2	Y708 L709 K901	Y708-E712 HydrophobicContact CD2-CG 3.87Å; Y708-E712 HydrophobicContact CE2-CB 4.49Å; Y708-E712 HydrophobicContact CE2-CG 3.59Å; Y708-E712 HydrophobicContact CG-CG 4.46Å; Y708-E712 WeakPolarHBondContact O-CB 3.46Å; Y708-E712 WeakPolarHBondContact O-CG 3.41Å; Y708-E712 PolarHBondContact O-N 3.31Å; L709-E712 PolarHBondContact O-N 2.83Å; E712-K901 HydrophobicContact CB-CD 3.99Å; E712-K901 HydrophobicContact CB-CG 4.29Å
713	A	92.8	Very high	89.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-96.4	-16.4	176.5	0	0	0	0	0	112.9	L709 I715 R894 Q897 L898 K901	L709-A713 WeakPolarHBondContact O-CA 3.06Å; L709-A713 WeakPolarHBondContact O-CB 3.42Å; L709-A713 PolarHBondContact O-N 2.86Å; A713-I715 PolarHBondContact O-N 2.88Å; A713-R894 WeakPolarHBondContact O-CD 3.38Å; A713-R894 PolarHBondContact O-NH1 2.97Å; A713-Q897 HydrophobicContact CB-CB 4.1Å; A713-L898 HydrophobicContact CB-CB 4.31Å; A713-K901 HydrophobicContact CB-CG 4.4Å
714	G	93	Very high	89.7	Confident	11 Å²	11	33.4 Å²	33.4	11%	0.113	17%	0.166	C	C	.	.	S	Bend	trans	78.2	-0.2	-175.7	0	0	0	0	0	114.2	P673 M674 L709 L710	P673-G714 WeakPolarHBondContact CA-O 3.38Å; M674-G714 PolarHBondContact N-O 3.21Å; L709-G714 PolarHBondContact O-N 3.39Å; L710-G714 CarbonylContact O-C 3.52Å; L710-G714 WeakPolarHBondContact O-CA 3.37Å; L710-G714 PolarHBondContact O-N 2.81Å; L710-G714 VanDerWaalsContact O-N 3.1Å
715	I	94.7	Very high	89.5	Confident	4 Å²	4	32 Å²	32	2%	0.021	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	141.1	178.4	-179.1	160.8	0	0	0	109.4	A664 F665 A668 M674 A713 R894 L898	A664-I715 HydrophobicContact CB-CD1 3.98Å; F665-I715 HydrophobicContact CD1-CD1 3.92Å; F665-I715 HydrophobicContact CD1-CG2 4.42Å; F665-I715 HydrophobicContact CE1-CD1 3.97Å; F665-I715 HydrophobicContact CE1-CG2 4.25Å; F665-I715 HydrophobicContact CG-CD1 4.39Å; A668-I715 HydrophobicContact CB-CB 3.98Å; A668-I715 HydrophobicContact CB-CD1 4.32Å; A668-I715 HydrophobicContact CB-CG2 4.39Å; M674-I715 HydrophobicContact CB-CB 4.09Å; M674-I715 HydrophobicContact CB-CD1 3.87Å; M674-I715 HydrophobicContact CB-CG1 3.75Å; M674-I715 CarbonylContact O-C 3.57Å; M674-I715 VanDerWaalsContact O-CA 3.3Å; M674-I715 WeakPolarHBondContact O-CA 3.34Å; A713-I715 PolarHBondContact O-N 2.88Å; I715-R894 HydrophobicContact CG2-CB 4.48Å; I715-L898 HydrophobicContact CG2-CB 4.26Å; I715-L898 HydrophobicContact CG2-CD2 4.2Å; I715-L898 WeakPolarHBondContact O-CD1 3.14Å
716	A	93.1	Very high	89.4	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	143.9	169.9	0	0	0	0	0	110.2	M674 K676 I706 L709 L710 L718	M674-A716 PolarHBondContact O-N 3.03Å; K676-A716 PolarHBondContact N-O 2.93Å; I706-A716 HydrophobicContact CG2-CB 3.91Å; L709-A716 HydrophobicContact CB-CB 4.16Å; L710-A716 HydrophobicContact CB-CB 3.92Å; L710-A716 HydrophobicContact CD1-CB 4.37Å; A716-L718 HydrophobicContact CB-CD1 4.24Å; A716-L718 WeakPolarHBondContact O-CD1 3.02Å
717	F	92.3	Very high	89.2	Confident	11 Å²	11	33 Å²	33	5%	0.048	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.5	173.4	-177.6	-107.8	0	0	0	110.4	K676 S688 A689 L692 L699 F719	K676-F717 HydrophobicContact CB-CD2 4.48Å; K676-F717 HydrophobicContact CG-CD2 4.22Å; K676-F717 WeakPolarHBondContact O-CD2 3.27Å; S688-F717 WeakPolarHBondContact OG-CE2 3.44Å; A689-F717 HydrophobicContact CB-CE1 4.17Å; A689-F717 HydrophobicContact CB-CZ 4.1Å; L692-F717 HydrophobicContact CD1-CB 3.77Å; L692-F717 HydrophobicContact CD1-CD1 3.78Å; L692-F717 HydrophobicContact CD1-CD2 3.19Å; L692-F717 HydrophobicContact CD1-CE1 4.13Å; L692-F717 HydrophobicContact CD1-CE2 3.59Å; L692-F717 HydrophobicContact CD1-CG 3.27Å; L692-F717 HydrophobicContact CD1-CZ 4.04Å; L699-F717 HydrophobicContact CD2-CD1 3.93Å; L699-F717 HydrophobicContact CD2-CE1 3.78Å; F717-F719 HydrophobicContact CD1-CB 4.33Å; F717-F719 HydrophobicContact CE1-CB 3.87Å; F717-F719 AromaticContact CE1-CD2 3.94Å; F717-F719 HydrophobicContact CE1-CD2 3.94Å; F717-F719 HydrophobicContact CE1-CG 4.32Å; F717-F719 HydrophobicContact CZ-CD2 4.38Å
718	L	91.3	Very high	89.1	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	103.5	-179.1	-78.3	76.2	0	0	0	108.5	A675 K676 H677 G678 I706 A716 A720 L723 P752 Y753	A675-L718 HydrophobicContact CB-CD1 4.04Å; K676-L718 PolarHBondContact O-N 3.12Å; H677-L718 PolarHBondContact CD2-O 3.4Å; H677-L718 VanDerWaalsContact CD2-O 3.29Å; G678-L718 PolarHBondContact N-O 2.8Å; I706-L718 HydrophobicContact CG2-CD1 3.99Å; I706-L718 HydrophobicContact CG2-CG 4.22Å; A716-L718 HydrophobicContact CB-CD1 4.24Å; A716-L718 WeakPolarHBondContact O-CD1 3.02Å; L718-A720 PolarHBondContact O-N 2.8Å; L718-L723 HydrophobicContact CB-CD1 3.51Å; L718-L723 HydrophobicContact CD2-CD1 4.07Å; L718-L723 HydrophobicContact CG-CD1 3.91Å; L718-P752 HydrophobicContact CD2-CG 3.63Å; L718-Y753 HydrophobicContact CD1-CE2 4.36Å; L718-Y753 HydrophobicContact CD2-CD2 3.72Å; L718-Y753 HydrophobicContact CD2-CE2 3.94Å
719	F	90	Very high	88.9	Confident	24 Å²	24	32.2 Å²	32.2	11%	0.105	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	102.8	-178.3	-172.9	-130.2	0	0	0	111.1	R680 A689 L699 F717 P721 T722 L723	R680-F719 HydrophobicContact CG-CE2 4Å; R680-F719 HydrophobicContact CG-CZ 4.12Å; A689-F719 HydrophobicContact CB-CD2 4.06Å; A689-F719 HydrophobicContact CB-CE2 3.85Å; L699-F719 HydrophobicContact CB-CG 4.41Å; F717-F719 HydrophobicContact CD1-CB 4.33Å; F717-F719 HydrophobicContact CE1-CB 3.87Å; F717-F719 AromaticContact CE1-CD2 3.94Å; F717-F719 HydrophobicContact CE1-CD2 3.94Å; F717-F719 HydrophobicContact CE1-CG 4.32Å; F717-F719 HydrophobicContact CZ-CD2 4.38Å; F719-P721 VanDerWaalsContact C-CD 3.46Å; F719-P721 HydrophobicContact CD2-CG 4.49Å; F719-P721 HydrophobicContact CE1-CB 4.23Å; F719-P721 HydrophobicContact CE1-CG 4.08Å; F719-P721 HydrophobicContact CE2-CG 3.94Å; F719-P721 HydrophobicContact CZ-CB 4.31Å; F719-P721 HydrophobicContact CZ-CG 3.7Å; F719-T722 WeakPolarHBondContact CD1-OG1 3.46Å; F719-T722 PolarHBondContact O-N 3.03Å; F719-L723 PolarHBondContact O-N 3.01Å
720	A	85.4	Confident	88.7	Confident	18 Å²	18	32.1 Å²	32.1	15%	0.149	19%	0.193	C	C	.	.	H	α-helix	trans	-51.8	-44.1	-168.3	0	0	0	0	0	115.3	H677 G678 L718 T722 L723 H724	H677-A720 VanDerWaalsContact NE2-CA 3.28Å; H677-A720 WeakPolarHBondContact NE2-CA 3.22Å; H677-A720 WeakPolarHBondContact NE2-CB 3.48Å; G678-A720 WeakPolarHBondContact O-CB 3.42Å; G678-A720 PolarHBondContact O-N 3.4Å; L718-A720 PolarHBondContact O-N 2.8Å; A720-T722 PolarHBondContact O-N 3.4Å; A720-L723 PolarHBondContact O-N 2.98Å; A720-L723 VanDerWaalsContact O-N 3.1Å; A720-H724 PolarHBondContact O-N 3.36Å
721	P	81.9	Confident	88.5	Confident	61 Å²	61	35.4 Å²	35.4	40%	0.396	21%	0.209	S	C	.	.	H	α-helix	trans	-62.2	-30.8	-179.1	-24.4	36.2	0	0	0	113.9	N679 F719	N679-P721 WeakPolarHBondContact OD1-CG 3.46Å; F719-P721 VanDerWaalsContact C-CD 3.46Å; F719-P721 HydrophobicContact CD2-CG 4.49Å; F719-P721 HydrophobicContact CE1-CB 4.23Å; F719-P721 HydrophobicContact CE1-CG 4.08Å; F719-P721 HydrophobicContact CE2-CG 3.94Å; F719-P721 HydrophobicContact CZ-CB 4.31Å; F719-P721 HydrophobicContact CZ-CG 3.7Å
722	T	84.9	Confident	88.5	Confident	58 Å²	58	31.1 Å²	31.1	36%	0.356	19%	0.192	S	C	.	.	H	α-helix	trans	-75.4	-34.1	176.8	-59.3	0	0	0	0	111.2	T700 F719 A720	T700-T722 HydrophobicContact CG2-CG2 4.09Å; F719-T722 WeakPolarHBondContact CD1-OG1 3.46Å; F719-T722 PolarHBondContact O-N 3.03Å; A720-T722 PolarHBondContact O-N 3.4Å
723	L	86.4	Confident	88.4	Confident	7 Å²	7	27.2 Å²	27.2	4%	0.037	17%	0.173	C	C	.	.	H	α-helix	trans	-86.6	-23.1	-172.9	-60.9	172.5	0	0	0	113	G633 T634 M636 I706 L718 F719 A720 P752	G633-L723 CarbonylContact C-O 3.5Å; G633-L723 WeakPolarHBondContact CA-O 3.26Å; T634-L723 HydrophobicContact CG2-CD2 4.46Å; T634-L723 PolarHBondContact N-O 2.8Å; M636-L723 HydrophobicContact CE-CD2 3.65Å; I706-L723 HydrophobicContact CD1-CD2 4.29Å; L718-L723 HydrophobicContact CB-CD1 3.51Å; L718-L723 HydrophobicContact CD2-CD1 4.07Å; L718-L723 HydrophobicContact CG-CD1 3.91Å; F719-L723 PolarHBondContact O-N 3.01Å; A720-L723 PolarHBondContact O-N 2.98Å; A720-L723 VanDerWaalsContact O-N 3.1Å; L723-P752 HydrophobicContact CD1-CG 4.08Å
724	H	87.1	Confident	88.2	Confident	7 Å²	7	30.2 Å²	30.2	3%	0.032	19%	0.185	C	C	.	.			trans	-128.1	65.5	-178	-56.6	-74.3	0	0	0	113.1	M629 H677 A720 A726 M727 I750	M629-H724 HydrophobicContact CE-CB 3.99Å; H677-H724 AromaticContact CE1-CD2 3.82Å; H677-H724 AromaticContact CE1-NE2 3.74Å; H677-H724 AromaticContact NE2-CD2 3.62Å; H677-H724 AromaticContact NE2-NE2 3.58Å; A720-H724 PolarHBondContact O-N 3.36Å; H724-A726 PolarHBondContact O-N 2.91Å; H724-A726 VanDerWaalsContact O-N 3.15Å; H724-M727 PolarHBondContact O-N 3.16Å; H724-I750 HydrophobicContact CB-CD1 4.27Å; H724-I750 PolarHBondContact CE1-O 2.89Å; H724-I750 PolarHBondContact NE2-O 3.37Å
725	P	84.6	Confident	87.7	Confident	89 Å²	89	37.3 Å²	37.3	58%	0.578	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-61.4	-26.9	-176.9	25.1	-34.4	0	0	0	113.2	M727 G728	P725-M727 PolarHBondContact O-N 2.78Å; P725-M727 VanDerWaalsContact O-N 3.14Å; P725-G728 PolarHBondContact O-N 3.36Å
726	A	86.6	Confident	87.1	Confident	25 Å²	25	43.8 Å²	43.8	21%	0.207	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-59.4	-23.7	178.8	0	0	0	0	0	114	F596 K632 H724 G728 A729	F596-A726 HydrophobicContact CD1-CB 4.05Å; F596-A726 VanDerWaalsContact CD1-O 3.31Å; F596-A726 WeakPolarHBondContact CD1-O 3.21Å; F596-A726 HydrophobicContact CE1-CB 4.46Å; F596-A726 WeakPolarHBondContact CE1-O 3.32Å; F596-A726 HydrophobicContact CG-CB 4.41Å; K632-A726 HydrophobicContact CB-CB 4.16Å; K632-A726 HydrophobicContact CD-CB 4.23Å; H724-A726 PolarHBondContact O-N 2.91Å; H724-A726 VanDerWaalsContact O-N 3.15Å; A726-G728 PolarHBondContact O-N 2.87Å; A726-G728 VanDerWaalsContact O-N 3.14Å; A726-A729 WeakPolarHBondContact O-CB 3.49Å; A726-A729 PolarHBondContact O-N 3.48Å; A726-A729 VanDerWaalsContact O-N 3.15Å
727	M	86.4	Confident	86.5	Confident	31 Å²	31	45.6 Å²	45.6	15%	0.153	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-57.7	-27.3	174.1	-178.5	60.8	63.2	0	0	111.8	M629 H724 P725 A729 V730 M731 R734 F743 L746	M629-M727 HydrophobicContact CE-CB 4.07Å; M629-M727 HydrophobicContact CE-CE 3.49Å; M629-M727 VanDerWaalsContact CE-CE 3.49Å; M629-M727 HydrophobicContact SD-CE 3.44Å; M629-M727 WeakPolarHBondContact SD-CE 3.4Å; H724-M727 PolarHBondContact O-N 3.16Å; P725-M727 PolarHBondContact O-N 2.78Å; P725-M727 VanDerWaalsContact O-N 3.14Å; M727-A729 PolarHBondContact O-N 2.99Å; M727-V730 WeakPolarHBondContact O-CG2 3.07Å; M727-V730 PolarHBondContact O-N 3.1Å; M727-V730 HydrophobicContact SD-CG2 3.76Å; M727-M731 HydrophobicContact CG-CG 4.43Å; M727-M731 HydrophobicContact CG-SD 4.07Å; M727-M731 WeakPolarHBondContact O-CG 3.31Å; M727-R734 PolarHBondContact SD-NH1 2.7Å; M727-F743 HydrophobicContact CE-CD1 3.85Å; M727-F743 HydrophobicContact CE-CE1 4.4Å; M727-F743 HydrophobicContact SD-CD1 4.04Å; M727-L746 HydrophobicContact CE-CD2 4.33Å
728	G	84.9	Confident	85.9	Confident	47 Å²	47	49.3 Å²	49.3	49%	0.485	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-53.8	-33.1	176.6	0	0	0	0	0	114.1	P725 A726 V730 M731	P725-G728 PolarHBondContact O-N 3.36Å; A726-G728 PolarHBondContact O-N 2.87Å; A726-G728 VanDerWaalsContact O-N 3.14Å; G728-V730 PolarHBondContact O-N 2.79Å; G728-M731 PolarHBondContact O-N 3.12Å
729	A	86.2	Confident	85.2	Confident	31 Å²	31	51.9 Å²	51.9	26%	0.256	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-63.2	-23	-177.7	0	0	0	0	0	114	F596 A726 M727 H732	F596-A729 HydrophobicContact CD1-CB 4.35Å; A726-A729 WeakPolarHBondContact O-CB 3.49Å; A726-A729 PolarHBondContact O-N 3.48Å; A726-A729 VanDerWaalsContact O-N 3.15Å; M727-A729 PolarHBondContact O-N 2.99Å; A729-H732 PolarHBondContact O-CE1 2.98Å
730	V	89.6	Confident	84.7	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-112.8	-0.2	-178.9	-62.2	0	0	0	0	113.2	I595 F596 I605 M727 G728 H732 I733 R734 F743	I595-V730 HydrophobicContact CG2-CG1 3.39Å; F596-V730 HydrophobicContact CE1-CG1 4.49Å; I605-V730 HydrophobicContact CG2-CG1 4.43Å; M727-V730 WeakPolarHBondContact O-CG2 3.07Å; M727-V730 PolarHBondContact O-N 3.1Å; M727-V730 HydrophobicContact SD-CG2 3.76Å; G728-V730 PolarHBondContact O-N 2.79Å; V730-H732 PolarHBondContact O-N 2.79Å; V730-I733 PolarHBondContact O-N 3.49Å; V730-R734 WeakPolarHBondContact O-CB 3.2Å; V730-R734 VanDerWaalsContact O-CG 3.25Å; V730-R734 WeakPolarHBondContact O-CG 3.34Å; V730-R734 PolarHBondContact O-N 2.81Å; V730-F743 HydrophobicContact CB-CE2 4.15Å; V730-F743 HydrophobicContact CB-CZ 4.31Å; V730-F743 HydrophobicContact CG1-CE2 4.01Å; V730-F743 HydrophobicContact CG1-CZ 3.92Å; V730-F743 HydrophobicContact CG2-CD1 4.28Å; V730-F743 HydrophobicContact CG2-CD2 4.27Å; V730-F743 HydrophobicContact CG2-CE1 4.05Å; V730-F743 HydrophobicContact CG2-CE2 3.97Å; V730-F743 HydrophobicContact CG2-CG 4.41Å; V730-F743 HydrophobicContact CG2-CZ 3.88Å
731	M	86.5	Confident	84.8	Confident	74 Å²	74	53 Å²	53	37%	0.365	31%	0.308	S	S	.	.	H	α-helix	trans	-66.9	-36.3	-172.6	-78	-59.4	-66.4	0	0	113.3	M727 G728 K735	M727-M731 HydrophobicContact CG-CG 4.43Å; M727-M731 HydrophobicContact CG-SD 4.07Å; M727-M731 WeakPolarHBondContact O-CG 3.31Å; G728-M731 PolarHBondContact O-N 3.12Å; M731-K735 WeakPolarHBondContact O-CG 3.41Å; M731-K735 PolarHBondContact O-N 2.97Å
732	H	89.7	Confident	85.1	Confident	74 Å²	74	50.1 Å²	50.1	34%	0.343	29%	0.29	S	S	.	.	H	α-helix	trans	-69.6	-43.8	176.4	65.4	-62.4	0	0	0	111	D602 A729 V730 R734 K735 E736	D602-H732 IonicContact OD1-CE1 3.14Å; D602-H732 IonicContact OD1-NE2 3.39Å; D602-H732 PolarHBondContact OD1-NE2 3.5Å; D602-H732 IonicContact OD2-CD2 2.97Å; D602-H732 IonicContact OD2-NE2 2.7Å; D602-H732 PolarHBondContact OD2-NE2 3.21Å; A729-H732 PolarHBondContact O-CE1 2.98Å; V730-H732 PolarHBondContact O-N 2.79Å; H732-R734 VanDerWaalsContact C-N 3.33Å; H732-R734 PolarHBondContact O-N 2.96Å; H732-K735 WeakPolarHBondContact O-CB 3.39Å; H732-K735 PolarHBondContact O-N 2.74Å; H732-K735 VanDerWaalsContact O-N 3.08Å; H732-E736 WeakPolarHBondContact O-CG 3.44Å; H732-E736 PolarHBondContact O-N 2.82Å
733	I	89.3	Confident	85.3	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.1	-45.8	176.5	-57.1	167.7	0	0	0	110.8	D602 I605 S606 L609 V730 K735 E736 L737	D602-I733 HydrophobicContact CB-CD1 4.33Å; D602-I733 HydrophobicContact CB-CG1 4.27Å; I605-I733 HydrophobicContact CB-CD1 3.8Å; I605-I733 HydrophobicContact CD1-CD1 3.6Å; I605-I733 HydrophobicContact CG1-CD1 4.3Å; I605-I733 HydrophobicContact CG2-CD1 3.67Å; I605-I733 HydrophobicContact CG2-CG2 4.22Å; S606-I733 WeakPolarHBondContact OG-CG2 3.5Å; L609-I733 HydrophobicContact CD1-CG2 4.3Å; V730-I733 PolarHBondContact O-N 3.49Å; I733-K735 VanDerWaalsContact C-N 3.31Å; I733-K735 PolarHBondContact O-N 3.07Å; I733-E736 PolarHBondContact O-N 2.91Å; I733-L737 HydrophobicContact CG2-CD1 4.05Å; I733-L737 HydrophobicContact CG2-CG 4.36Å; I733-L737 WeakPolarHBondContact O-CB 3.5Å; I733-L737 WeakPolarHBondContact O-CG 3.35Å; I733-L737 PolarHBondContact O-N 2.86Å
734	R	88.1	Confident	85.3	Confident	62 Å²	62	49.5 Å²	49.5	23%	0.234	28%	0.284	C	S	.	.	H	α-helix	trans	-63.1	-36.1	177.6	-71.2	174.9	68.7	-159.6	3.2	112.7	M727 V730 H732 A738 F743	M727-R734 PolarHBondContact SD-NH1 2.7Å; V730-R734 WeakPolarHBondContact O-CB 3.2Å; V730-R734 VanDerWaalsContact O-CG 3.25Å; V730-R734 WeakPolarHBondContact O-CG 3.34Å; V730-R734 PolarHBondContact O-N 2.81Å; H732-R734 VanDerWaalsContact C-N 3.33Å; H732-R734 PolarHBondContact O-N 2.96Å; R734-A738 PolarHBondContact O-N 2.84Å; R734-F743 HydrophobicContact CG-CD2 4.47Å
735	K	82	Confident	85.2	Confident	161 Å²	161	49.8 Å²	49.8	70%	0.7	29%	0.286	S	S	*	.	H	α-helix	trans	-68.2	-40.7	174.9	-75.5	175.7	-178.9	-178.6	0	111.5	M731 H732 I733 A738	M731-K735 WeakPolarHBondContact O-CG 3.41Å; M731-K735 PolarHBondContact O-N 2.97Å; H732-K735 WeakPolarHBondContact O-CB 3.39Å; H732-K735 PolarHBondContact O-N 2.74Å; H732-K735 VanDerWaalsContact O-N 3.08Å; I733-K735 VanDerWaalsContact C-N 3.31Å; I733-K735 PolarHBondContact O-N 3.07Å; K735-A738 PolarHBondContact O-N 2.97Å
736	E	82.2	Confident	85.3	Confident	139 Å²	139	45.5 Å²	45.5	65%	0.65	26%	0.258	S	S	*	.	H	α-helix	trans	-68	-43	178.3	-73	-179.3	-178.2	0	0	112.6	H732 I733 A738	H732-E736 WeakPolarHBondContact O-CG 3.44Å; H732-E736 PolarHBondContact O-N 2.82Å; I733-E736 PolarHBondContact O-N 2.91Å; E736-A738 PolarHBondContact O-N 2.94Å
737	L	81.8	Confident	85.2	Confident	39 Å²	39	45.9 Å²	45.9	20%	0.204	26%	0.264	C	S	.	.	H	α-helix	trans	-63.9	-25.5	176.4	-73.3	175.6	0	0	0	113.1	L609 V610 I733 T739 T741	L609-L737 HydrophobicContact CB-CD1 3.98Å; L609-L737 HydrophobicContact CD1-CD1 3.85Å; V610-L737 HydrophobicContact CG2-CD2 3.81Å; I733-L737 HydrophobicContact CG2-CD1 4.05Å; I733-L737 HydrophobicContact CG2-CG 4.36Å; I733-L737 WeakPolarHBondContact O-CB 3.5Å; I733-L737 WeakPolarHBondContact O-CG 3.35Å; I733-L737 PolarHBondContact O-N 2.86Å; L737-T739 HydrophobicContact CB-CG2 4.38Å; L737-T739 WeakPolarHBondContact O-CB 3.24Å; L737-T739 PolarHBondContact O-N 2.86Å; L737-T741 HydrophobicContact CD1-CG2 4.13Å
738	A	78.7	Confident	85.2	Confident	89 Å²	89	44.6 Å²	44.6	74%	0.736	26%	0.258	S	S	*	.			trans	47.6	32	177.4	0	0	0	0	0	114.6	R734 K735 E736	R734-A738 PolarHBondContact O-N 2.84Å; K735-A738 PolarHBondContact O-N 2.97Å; E736-A738 PolarHBondContact O-N 2.94Å
739	T	76.5	Confident	85.5	Confident	53 Å²	53	42.3 Å²	42.3	33%	0.325	24%	0.235	S	C	.	.	S	Bend	trans	-146.3	148.8	-174.7	-154.4	0	0	0	0	111	K613 L737 T741	K613-T739 HydrophobicContact CD-CG2 4.09Å; K613-T739 PolarHBondContact NZ-OG1 3.11Å; L737-T739 HydrophobicContact CB-CG2 4.38Å; L737-T739 WeakPolarHBondContact O-CB 3.24Å; L737-T739 PolarHBondContact O-N 2.86Å; T739-T741 HydrophobicContact CG2-CG2 4.49Å; T739-T741 PolarHBondContact O-N 3.34Å
740	P	79.4	Confident	85.7	Confident	57 Å²	57	41.1 Å²	41.1	37%	0.37	22%	0.224	S	C	.	.			trans	-61.6	136.8	176.1	-23	32.6	0	0	0	111.9	K613 N744 Y763	K613-P740 WeakPolarHBondContact CD-O 3.5Å; K613-P740 PolarHBondContact NZ-O 2.84Å; P740-N744 WeakPolarHBondContact CA-OD1 3.36Å; P740-N744 HydrophobicContact CB-CB 4.5Å; P740-Y763 WeakPolarHBondContact CB-OH 3.19Å
741	T	87.5	Confident	85.8	Confident	8 Å²	8	41.1 Å²	41.1	5%	0.049	22%	0.224	C	C	.	.			trans	-130.1	-179.6	179.2	60.7	0	0	0	0	110	L609 L737 T739 F743 N744	L609-T741 HydrophobicContact CB-CG2 4.02Å; L609-T741 HydrophobicContact CD1-CG2 4.42Å; L737-T741 HydrophobicContact CD1-CG2 4.13Å; T739-T741 HydrophobicContact CG2-CG2 4.49Å; T739-T741 PolarHBondContact O-N 3.34Å; T741-F743 PolarHBondContact O-N 3.48Å; T741-N744 PolarHBondContact N-OD1 3.13Å; T741-N744 WeakPolarHBondContact O-CB 3.44Å; T741-N744 PolarHBondContact O-N 2.94Å; T741-N744 PolarHBondContact O-OD1 2.79Å
742	I	89.6	Confident	85.9	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-50.2	-31.4	173.7	-168.6	167.8	0	0	0	113.2	M588 L609 L612 V617 E621 L622 L625 N744 L745	M588-I742 HydrophobicContact CE-CD1 4.24Å; L609-I742 HydrophobicContact CD2-CG2 3.68Å; L612-I742 HydrophobicContact CD1-CD1 4.34Å; L612-I742 HydrophobicContact CD1-CG2 4.32Å; V617-I742 HydrophobicContact CG1-CD1 3.55Å; V617-I742 HydrophobicContact CG1-CG1 3.78Å; V617-I742 HydrophobicContact CG2-CB 4.07Å; V617-I742 HydrophobicContact CG2-CD1 4.34Å; V617-I742 HydrophobicContact CG2-CG1 4.19Å; E621-I742 HydrophobicContact CB-CD1 4.28Å; L622-I742 HydrophobicContact CD1-CD1 4.06Å; L622-I742 HydrophobicContact CD1-CG1 3.47Å; L622-I742 VanDerWaalsContact CD1-CG1 3.47Å; L625-I742 HydrophobicContact CD2-CD1 4.08Å; L625-I742 HydrophobicContact CD2-CG1 4.15Å; L625-I742 HydrophobicContact CD2-CG2 3.78Å; I742-N744 PolarHBondContact O-N 3.31Å; I742-L745 PolarHBondContact O-N 3.42Å; I742-L745 VanDerWaalsContact O-N 3.16Å
743	F	89.2	Confident	85.9	Confident	5 Å²	5	35.1 Å²	35.1	2%	0.022	20%	0.197	C	C	.	.	H	α-helix	trans	-65.1	-19.7	177.4	-74.9	-67.2	0	0	0	114.5	F596 L609 L625 M727 V730 R734 T741 L745 L746	F596-F743 HydrophobicContact CE1-CE1 4.41Å; F596-F743 AromaticContact CZ-CE1 3.79Å; F596-F743 HydrophobicContact CZ-CE1 3.79Å; F596-F743 HydrophobicContact CZ-CZ 4.16Å; L609-F743 HydrophobicContact CD1-CD2 4.1Å; L609-F743 HydrophobicContact CD1-CE2 4.07Å; L609-F743 HydrophobicContact CD2-CD2 3.68Å; L609-F743 HydrophobicContact CD2-CE2 3.61Å; L609-F743 HydrophobicContact CG-CE2 4.41Å; L625-F743 HydrophobicContact CD1-CE1 4.39Å; L625-F743 HydrophobicContact CD1-CZ 4.47Å; L625-F743 HydrophobicContact CD2-CD1 4.31Å; L625-F743 HydrophobicContact CD2-CE1 3.87Å; L625-F743 HydrophobicContact CD2-CZ 4.11Å; L625-F743 HydrophobicContact CG-CE1 4.44Å; M727-F743 HydrophobicContact CE-CD1 3.85Å; M727-F743 HydrophobicContact CE-CE1 4.4Å; M727-F743 HydrophobicContact SD-CD1 4.04Å; V730-F743 HydrophobicContact CB-CE2 4.15Å; V730-F743 HydrophobicContact CB-CZ 4.31Å; V730-F743 HydrophobicContact CG1-CE2 4.01Å; V730-F743 HydrophobicContact CG1-CZ 3.92Å; V730-F743 HydrophobicContact CG2-CD1 4.28Å; V730-F743 HydrophobicContact CG2-CD2 4.27Å; V730-F743 HydrophobicContact CG2-CE1 4.05Å; V730-F743 HydrophobicContact CG2-CE2 3.97Å; V730-F743 HydrophobicContact CG2-CG 4.41Å; V730-F743 HydrophobicContact CG2-CZ 3.88Å; R734-F743 HydrophobicContact CG-CD2 4.47Å; T741-F743 PolarHBondContact O-N 3.48Å; F743-L745 VanDerWaalsContact C-N 3.34Å; F743-L746 HydrophobicContact CD1-CD2 3.52Å; F743-L746 HydrophobicContact CE1-CD2 3.77Å; F743-L746 PolarHBondContact O-N 3.49Å
744	N	84.7	Confident	85.8	Confident	47 Å²	47	39.4 Å²	39.4	25%	0.251	23%	0.225	S	C	.	.	H	α-helix	trans	-73	-27.9	175.6	-70.6	70.2	0	0	0	112.4	P740 T741 I742 Y763	P740-N744 WeakPolarHBondContact CA-OD1 3.36Å; P740-N744 HydrophobicContact CB-CB 4.5Å; T741-N744 PolarHBondContact N-OD1 3.13Å; T741-N744 WeakPolarHBondContact O-CB 3.44Å; T741-N744 PolarHBondContact O-N 2.94Å; T741-N744 PolarHBondContact O-OD1 2.79Å; I742-N744 PolarHBondContact O-N 3.31Å; N744-Y763 HydrophobicContact CB-CE1 4.27Å; N744-Y763 VanDerWaalsContact CB-OH 3.31Å; N744-Y763 WeakPolarHBondContact CB-OH 3.33Å
745	L	85.1	Confident	86	Confident	12 Å²	12	36.6 Å²	36.6	6%	0.063	22%	0.215	C	C	.	.	H	α-helix	trans	-85.7	-14.5	176.8	-59.5	179	0	0	0	112.4	L622 T649 I742 F743 L749 A764	L622-L745 HydrophobicContact CD1-CB 3.8Å; L622-L745 HydrophobicContact CD1-CD1 4.39Å; L622-L745 HydrophobicContact CD2-CB 4.14Å; L622-L745 HydrophobicContact CD2-CD1 4.28Å; T649-L745 HydrophobicContact CG2-CD2 4.06Å; I742-L745 PolarHBondContact O-N 3.42Å; I742-L745 VanDerWaalsContact O-N 3.16Å; F743-L745 VanDerWaalsContact C-N 3.34Å; L745-L749 WeakPolarHBondContact O-CD1 3.2Å; L745-A764 HydrophobicContact CD2-CB 4.09Å
746	L	87.4	Confident	86.4	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-78.7	-32.1	-166.2	-161.4	60.4	0	0	0	114.3	L625 A626 M629 M727 F743 L749 I750	L625-L746 HydrophobicContact CB-CD1 4.47Å; L625-L746 HydrophobicContact CD2-CD2 3.81Å; L625-L746 HydrophobicContact CG-CD1 4.29Å; L625-L746 HydrophobicContact CG-CD2 3.83Å; A626-L746 HydrophobicContact CB-CD1 3.7Å; M629-L746 HydrophobicContact CG-CD2 3.97Å; M629-L746 HydrophobicContact SD-CD2 3.14Å; M629-L746 WeakPolarHBondContact SD-CD2 3.49Å; M629-L746 HydrophobicContact SD-CG 3.89Å; M727-L746 HydrophobicContact CE-CD2 4.33Å; F743-L746 HydrophobicContact CD1-CD2 3.52Å; F743-L746 HydrophobicContact CE1-CD2 3.77Å; F743-L746 PolarHBondContact O-N 3.49Å; L746-L749 WeakPolarHBondContact O-CB 3.45Å; L746-L749 PolarHBondContact O-N 2.98Å; L746-I750 HydrophobicContact CD1-CG2 3.97Å; L746-I750 HydrophobicContact CG-CG2 3.84Å; L746-I750 WeakPolarHBondContact O-CG2 3.49Å; L746-I750 PolarHBondContact O-N 2.76Å
747	G	83.5	Confident	87.1	Confident	32 Å²	32	26.4 Å²	26.4	33%	0.33	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-49	-172.5	0	0	0	0	0	114.6	H677 L749 I750	H677-G747 PolarHBondContact ND1-O 3.16Å; G747-L749 VanDerWaalsContact C-N 3.26Å; G747-L749 PolarHBondContact O-N 2.91Å; G747-I750 WeakPolarHBondContact O-CG1 3.41Å
748	P	87.1	Confident	87.7	Confident	4 Å²	4	24.6 Å²	24.6	3%	0.026	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-24.3	175.3	-31	41.8	0	0	0	115	C647 G648 T649 Q758 M760	C647-P748 VanDerWaalsContact SG-CA 3.59Å; C647-P748 VanDerWaalsContact SG-CB 3.51Å; G648-P748 WeakPolarHBondContact O-CG 3.14Å; T649-P748 HydrophobicContact CG2-CG 4.25Å; P748-Q758 PolarHBondContact O-NE2 2.99Å; P748-M760 HydrophobicContact CB-CE 3.59Å; P748-M760 HydrophobicContact CB-CG 3.84Å; P748-M760 HydrophobicContact CB-SD 3.62Å; P748-M760 HydrophobicContact CG-CE 3.83Å; P748-M760 HydrophobicContact CG-CG 4.47Å; P748-M760 HydrophobicContact CG-SD 4.46Å
749	L	90.6	Very high	88.6	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-25.6	-171.2	-60.8	176	0	0	0	113.1	L622 A626 L745 L746 G747 N751 M760 T774 L775 L778 R780	L622-L749 HydrophobicContact CD1-CD1 4.12Å; L622-L749 HydrophobicContact CD2-CD1 3.55Å; L622-L749 HydrophobicContact CG-CD1 3.5Å; A626-L749 HydrophobicContact CB-CB 4.11Å; L745-L749 WeakPolarHBondContact O-CD1 3.2Å; L746-L749 WeakPolarHBondContact O-CB 3.45Å; L746-L749 PolarHBondContact O-N 2.98Å; G747-L749 VanDerWaalsContact C-N 3.26Å; G747-L749 PolarHBondContact O-N 2.91Å; L749-N751 PolarHBondContact O-N 3.01Å; L749-M760 HydrophobicContact CD2-CE 4.12Å; L749-M760 HydrophobicContact CD2-SD 3.58Å; L749-M760 VanDerWaalsContact CD2-SD 3.58Å; L749-M760 HydrophobicContact CG-CE 4.27Å; L749-M760 HydrophobicContact CG-SD 4.29Å; L749-T774 HydrophobicContact CD1-CG2 3.74Å; L749-T774 HydrophobicContact CD2-CG2 4.1Å; L749-L775 HydrophobicContact CD2-CD2 3.49Å; L749-L775 VanDerWaalsContact CD2-CD2 3.49Å; L749-L775 HydrophobicContact CD2-CG 4.05Å; L749-L778 HydrophobicContact CB-CD1 3.84Å; L749-L778 HydrophobicContact CD2-CD1 4.15Å; L749-L778 HydrophobicContact CG-CD1 4.47Å; L749-R780 PolarHBondContact O-NH2 3.34Å
750	I	91.8	Very high	89.5	Confident	5 Å²	5	18.1 Å²	18.1	3%	0.026	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	20.4	-167	62.4	173.1	0	0	0	114.6	A626 M629 Q630 H724 L746 G747	A626-I750 HydrophobicContact CB-CG2 4.06Å; M629-I750 HydrophobicContact CB-CB 4.33Å; M629-I750 HydrophobicContact CB-CG2 3.63Å; M629-I750 HydrophobicContact CE-CD1 3.55Å; M629-I750 HydrophobicContact SD-CD1 3.95Å; M629-I750 HydrophobicContact SD-CG2 4.38Å; Q630-I750 HydrophobicContact CG-CB 4.12Å; Q630-I750 HydrophobicContact CG-CG2 4.44Å; H724-I750 HydrophobicContact CB-CD1 4.27Å; H724-I750 PolarHBondContact CE1-O 2.89Å; H724-I750 PolarHBondContact NE2-O 3.37Å; L746-I750 HydrophobicContact CD1-CG2 3.97Å; L746-I750 HydrophobicContact CG-CG2 3.84Å; L746-I750 WeakPolarHBondContact O-CG2 3.49Å; L746-I750 PolarHBondContact O-N 2.76Å; G747-I750 WeakPolarHBondContact O-CG1 3.41Å
751	N	91.2	Very high	90.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.094	C	C	.	.			trans	-49.4	129.7	175.8	-166.5	-50.7	0	0	0	110	Q630 D645 A675 L749 Y753 L755	Q630-N751 PolarHBondContact NE2-O 2.97Å; D645-N751 PolarHBondContact OD2-ND2 2.86Å; D645-N751 VanDerWaalsContact OD2-ND2 3.09Å; A675-N751 PolarHBondContact O-ND2 3.05Å; L749-N751 PolarHBondContact O-N 3.01Å; N751-Y753 VanDerWaalsContact C-N 3.26Å; N751-Y753 PolarHBondContact O-N 3.37Å; N751-Y753 PolarHBondContact OD1-N 3.35Å; N751-L755 HydrophobicContact CB-CD1 3.82Å; N751-L755 HydrophobicContact CB-CG 4.27Å
752	P	88.9	Confident	90.1	Very high	22 Å²	22	15.1 Å²	15.1	14%	0.143	9%	0.092	C	C	.	.	S	Bend	trans	-74.5	-14.3	-174.4	30.2	-37	0	0	0	113.5	M636 L718 L723	M636-P752 HydrophobicContact CG-CB 3.86Å; M636-P752 HydrophobicContact CG-CG 3.82Å; M636-P752 HydrophobicContact SD-CG 4.47Å; L718-P752 HydrophobicContact CD2-CG 3.63Å; L723-P752 HydrophobicContact CD1-CG 4.08Å
753	Y	88.8	Confident	89.8	Confident	1 Å²	1	18 Å²	18	0%	0.004	10%	0.103	C	C	.	.	S	Bend	trans	-80.4	142.1	166	-75.9	-74.5	0	0	0	111	M636 A639 A675 I706 D707 L710 L718 N751 L755	M636-Y753 HydrophobicContact CB-CD1 3.83Å; M636-Y753 HydrophobicContact CB-CD2 4.42Å; M636-Y753 HydrophobicContact CB-CE1 3.53Å; M636-Y753 HydrophobicContact CB-CE2 4.16Å; M636-Y753 HydrophobicContact CB-CG 4.28Å; M636-Y753 HydrophobicContact CG-CD1 4.37Å; M636-Y753 HydrophobicContact CG-CD2 4.09Å; M636-Y753 HydrophobicContact CG-CE1 4.19Å; M636-Y753 HydrophobicContact CG-CE2 3.89Å; M636-Y753 HydrophobicContact CG-CG 4.34Å; M636-Y753 HydrophobicContact SD-CE2 4.25Å; A639-Y753 HydrophobicContact CB-CD1 3.55Å; A639-Y753 HydrophobicContact CB-CE1 4.27Å; A639-Y753 HydrophobicContact CB-CG 4.33Å; A675-Y753 HydrophobicContact CB-CD2 3.68Å; A675-Y753 HydrophobicContact CB-CE2 4.21Å; A675-Y753 HydrophobicContact CB-CG 4.43Å; I706-Y753 HydrophobicContact CG2-CE2 4Å; D707-Y753 WeakPolarHBondContact OD1-CE1 3.21Å; D707-Y753 PolarHBondContact OD1-OH 3.49Å; L710-Y753 HydrophobicContact CD2-CE1 4.45Å; L710-Y753 HydrophobicContact CD2-CE2 4.11Å; L718-Y753 HydrophobicContact CD1-CE2 4.36Å; L718-Y753 HydrophobicContact CD2-CD2 3.72Å; L718-Y753 HydrophobicContact CD2-CE2 3.94Å; N751-Y753 VanDerWaalsContact C-N 3.26Å; N751-Y753 PolarHBondContact O-N 3.37Å; N751-Y753 PolarHBondContact OD1-N 3.35Å; Y753-L755 PolarHBondContact O-N 2.85Å; Y753-L755 VanDerWaalsContact O-N 3.1Å
754	P	87.2	Confident	89.3	Confident	90 Å²	90	19 Å²	19	58%	0.584	11%	0.112	S	C	*	.			trans	-66.9	106.3	161.3	29.3	-32.3	0	0	0	108.4	A639 V643	A639-P754 HydrophobicContact CB-CG 4.01Å; V643-P754 WeakPolarHBondContact CG1-O 3.44Å
755	L	91.8	Very high	89.1	Confident	3 Å²	3	18 Å²	18	2%	0.016	11%	0.113	C	C	.	.			trans	-86.6	132.7	-178.9	-57.2	177.5	0	0	0	111	V643 D645 A675 N751 Y753 Q758	V643-L755 HydrophobicContact CG1-CD2 4.07Å; V643-L755 HydrophobicContact CG2-CD2 4.11Å; D645-L755 HydrophobicContact CB-CD1 3.43Å; D645-L755 VanDerWaalsContact CB-CD1 3.43Å; D645-L755 HydrophobicContact CB-CD2 4.43Å; A675-L755 HydrophobicContact CB-CD2 4.21Å; N751-L755 HydrophobicContact CB-CD1 3.82Å; N751-L755 HydrophobicContact CB-CG 4.27Å; Y753-L755 PolarHBondContact O-N 2.85Å; Y753-L755 VanDerWaalsContact O-N 3.1Å; L755-Q758 HydrophobicContact CD1-CG 4.41Å
756	D	91.9	Very high	88.9	Confident	40 Å²	40	25.9 Å²	25.9	21%	0.214	16%	0.155	C	C	.	.	S	Bend	trans	-75.4	-39	171.7	-62.1	-37.3	0	0	0	110.1	G642 V643 R780 E781	G642-D756 VanDerWaalsContact CA-OD2 3.31Å; G642-D756 WeakPolarHBondContact CA-OD2 3.32Å; G642-D756 PolarHBondContact N-OD2 3.17Å; V643-D756 PolarHBondContact O-N 3.48Å; V643-D756 VanDerWaalsContact O-N 3.15Å; D756-R780 CarbonylContact O-C 3.57Å; D756-R780 WeakPolarHBondContact O-CA 3.32Å; D756-E781 PolarHBondContact O-N 2.81Å
757	Y	95.4	Very high	88.7	Confident	46 Å²	46	26.7 Å²	26.7	18%	0.18	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	150.7	-176.4	-49.6	-57.1	0	0	0	112.3	V643 M644 E781 R782 S869	V643-Y757 PolarHBondContact O-N 2.95Å; M644-Y757 VanDerWaalsContact CA-O 3.3Å; M644-Y757 WeakPolarHBondContact CA-O 3.29Å; M644-Y757 WeakPolarHBondContact CG-O 2.96Å; Y757-E781 HydrophobicContact CD1-CB 4.37Å; Y757-E781 HydrophobicContact CE1-CB 3.81Å; Y757-E781 WeakPolarHBondContact CE1-OE2 2.93Å; Y757-E781 PolarHBondContact OH-OE2 2.96Å; Y757-R782 VanDerWaalsContact CA-O 3.3Å; Y757-R782 WeakPolarHBondContact CA-O 3.48Å; Y757-R782 HydrophobicContact CD1-CB 3.91Å; Y757-R782 HydrophobicContact CE1-CB 4.22Å; Y757-S869 WeakPolarHBondContact CE2-O 3.44Å
758	Q	96.1	Very high	88.9	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	136.5	174.6	-165.9	164.3	0.4	0	0	113.1	D645 P748 L755 L775 R780 R782 A783 I784	D645-Q758 WeakPolarHBondContact O-CA 3.46Å; P748-Q758 PolarHBondContact O-NE2 2.99Å; L755-Q758 HydrophobicContact CD1-CG 4.41Å; Q758-L775 HydrophobicContact CG-CD2 4.4Å; Q758-R780 HydrophobicContact CB-CG 3.96Å; Q758-R780 VanDerWaalsContact OE1-CZ 3.24Å; Q758-R782 PolarHBondContact N-O 3.37Å; Q758-A783 HydrophobicContact CB-CB 4.39Å; Q758-A783 CarbonylContact O-C 3.58Å; Q758-A783 WeakPolarHBondContact O-CA 3.14Å; Q758-A783 WeakPolarHBondContact O-CB 3.3Å; Q758-I784 PolarHBondContact O-N 3.37Å
759	L	96.9	Very high	89.1	Confident	6 Å²	6	27 Å²	27	3%	0.031	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	115.8	165.6	177.1	69.7	0	0	0	108	M644 D645 N646 C647 I784 I786 N861 L864 A868	M644-L759 HydrophobicContact CE-CB 3.54Å; D645-L759 PolarHBondContact O-N 3.12Å; N646-L759 CarbonylContact C-O 3.42Å; N646-L759 WeakPolarHBondContact CA-O 3.42Å; N646-L759 HydrophobicContact CB-CB 4.01Å; N646-L759 HydrophobicContact CB-CD2 4.34Å; C647-L759 PolarHBondContact N-O 3.03Å; L759-I784 CarbonylContact C-O 2.95Å; L759-I784 WeakPolarHBondContact CA-O 3.33Å; L759-I784 HydrophobicContact CD1-CB 3.89Å; L759-I784 HydrophobicContact CD1-CG2 4.08Å; L759-I786 HydrophobicContact CD1-CD1 4.45Å; L759-I786 HydrophobicContact CD1-CG2 3.88Å; L759-N861 VanDerWaalsContact CD2-O 3.3Å; L759-N861 WeakPolarHBondContact CD2-O 3.44Å; L759-L864 HydrophobicContact CD1-CB 4.01Å; L759-L864 HydrophobicContact CD2-CB 4.28Å; L759-A868 HydrophobicContact CB-CB 4.38Å
760	M	94.5	Very high	89.1	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.7	-175.5	-179.5	174	166.8	0	0	111.9	C647 T649 P748 L749 T771 L775 I784 V785 I786	C647-M760 CarbonylContact O-C 3.53Å; C647-M760 VanDerWaalsContact O-CA 3.27Å; C647-M760 WeakPolarHBondContact O-CA 3.39Å; T649-M760 HydrophobicContact CG2-CE 3.97Å; P748-M760 HydrophobicContact CB-CE 3.59Å; P748-M760 HydrophobicContact CB-CG 3.84Å; P748-M760 HydrophobicContact CB-SD 3.62Å; P748-M760 HydrophobicContact CG-CE 3.83Å; P748-M760 HydrophobicContact CG-CG 4.47Å; P748-M760 HydrophobicContact CG-SD 4.46Å; L749-M760 HydrophobicContact CD2-CE 4.12Å; L749-M760 HydrophobicContact CD2-SD 3.58Å; L749-M760 VanDerWaalsContact CD2-SD 3.58Å; L749-M760 HydrophobicContact CG-CE 4.27Å; L749-M760 HydrophobicContact CG-SD 4.29Å; M760-T771 HydrophobicContact CE-CG2 3.52Å; M760-T771 HydrophobicContact SD-CG2 3.55Å; M760-T771 VanDerWaalsContact SD-CG2 3.55Å; M760-L775 HydrophobicContact CB-CD1 3.93Å; M760-L775 HydrophobicContact SD-CD1 4.23Å; M760-L775 HydrophobicContact SD-CD2 4.27Å; M760-L775 HydrophobicContact SD-CG 4.46Å; M760-I784 PolarHBondContact N-O 3.03Å; M760-V785 HydrophobicContact CB-CG2 4.45Å; M760-V785 CarbonylContact O-C 3.57Å; M760-V785 WeakPolarHBondContact O-CA 3.36Å; M760-I786 PolarHBondContact O-N 3.45Å
761	G	91.9	Very high	89.1	Confident	3 Å²	3	29.5 Å²	29.5	3%	0.031	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	142.4	168.8	0	0	0	0	0	113.5	C647 T649 D793	C647-G761 PolarHBondContact O-N 3.28Å; T649-G761 PolarHBondContact N-O 3.32Å; T649-G761 VanDerWaalsContact N-O 3.1Å; G761-D793 WeakPolarHBondContact CA-O 3.43Å
762	T	89.4	Confident	89.3	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.168	C	C	.	.			trans	-137.4	134.5	169.5	-175.2	0	0	0	0	112.6	A764 V785 I786 H787	T762-A764 PolarHBondContact OG1-N 3.45Å; T762-V785 HydrophobicContact CG2-CG1 3.67Å; T762-I786 PolarHBondContact N-O 2.97Å; T762-H787 HydrophobicContact CG2-CB 4.49Å; T762-H787 PolarHBondContact O-ND1 3.35Å
763	Y	83.4	Confident	89.5	Confident	63 Å²	63	32.3 Å²	32.3	25%	0.247	18%	0.178	C	C	.	.	S	Bend	trans	-74.7	-17.4	167.8	71.4	-98.9	0	0	0	112.2	T649 P740 N744 G765 H787 G791	T649-Y763 VanDerWaalsContact OG1-CD1 3.24Å; T649-Y763 WeakPolarHBondContact OG1-CD1 3.42Å; T649-Y763 PolarHBondContact OG1-N 2.88Å; P740-Y763 WeakPolarHBondContact CB-OH 3.19Å; N744-Y763 HydrophobicContact CB-CE1 4.27Å; N744-Y763 VanDerWaalsContact CB-OH 3.31Å; N744-Y763 WeakPolarHBondContact CB-OH 3.33Å; Y763-G765 PolarHBondContact O-N 2.85Å; Y763-H787 PolarHBondContact O-CE1 3.26Å; Y763-G791 WeakPolarHBondContact CA-O 3.43Å
764	A	78.3	Confident	89.8	Confident	24 Å²	24	32.3 Å²	32.3	20%	0.198	18%	0.178	C	C	.	.			trans	-94.2	86.5	-176.4	0	0	0	0	0	110.4	L745 T762 D766 S767	L745-A764 HydrophobicContact CD2-CB 4.09Å; T762-A764 PolarHBondContact OG1-N 3.45Å; A764-D766 VanDerWaalsContact C-N 3.26Å; A764-D766 PolarHBondContact O-N 3.07Å; A764-S767 VanDerWaalsContact CB-OG 3.25Å; A764-S767 WeakPolarHBondContact CB-OG 3.3Å; A764-S767 PolarHBondContact O-N 3.29Å; A764-S767 VanDerWaalsContact O-N 3.08Å; A764-S767 PolarHBondContact O-OG 2.92Å
765	G	79.4	Confident	90.1	Very high	28 Å²	28	28 Å²	28	29%	0.289	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-55.7	-39.5	-179.8	0	0	0	0	0	113	Y763 S767 L768 H787	Y763-G765 PolarHBondContact O-N 2.85Å; G765-S767 PolarHBondContact O-N 2.91Å; G765-S767 VanDerWaalsContact O-N 3.13Å; G765-L768 WeakPolarHBondContact O-CB 3.42Å; G765-L768 PolarHBondContact O-N 2.89Å; G765-L768 VanDerWaalsContact O-N 3.08Å; G765-H787 PolarHBondContact N-CE1 3.48Å
766	D	80.8	Confident	90.2	Very high	176 Å²	176	28.3 Å²	28.3	94%	0.941	15%	0.154	S	C	*	.	G	3₁₀ helix	trans	-64	-20.1	179.7	-54.9	-19.5	0	0	0	113.3	A764	A764-D766 VanDerWaalsContact C-N 3.26Å; A764-D766 PolarHBondContact O-N 3.07Å
767	S	83	Confident	90.3	Very high	18 Å²	18	30.4 Å²	30.4	13%	0.126	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-102.6	10.1	178.2	67.9	0	0	0	0	113.8	A764 G765 V769 E770 T771	A764-S767 VanDerWaalsContact CB-OG 3.25Å; A764-S767 WeakPolarHBondContact CB-OG 3.3Å; A764-S767 PolarHBondContact O-N 3.29Å; A764-S767 VanDerWaalsContact O-N 3.08Å; A764-S767 PolarHBondContact O-OG 2.92Å; G765-S767 PolarHBondContact O-N 2.91Å; G765-S767 VanDerWaalsContact O-N 3.13Å; S767-V769 PolarHBondContact O-N 2.91Å; S767-E770 PolarHBondContact O-N 2.89Å; S767-T771 VanDerWaalsContact O-CB 3.27Å; S767-T771 WeakPolarHBondContact O-CB 3.46Å; S767-T771 PolarHBondContact O-N 3.12Å; S767-T771 PolarHBondContact O-OG1 3.25Å
768	L	89.2	Confident	90.1	Very high	9 Å²	9	29.1 Å²	29.1	5%	0.047	16%	0.158	C	C	.	.	H	α-helix	trans	-55.7	-50	-174.9	-178.5	117.3	0	0	0	112.2	G765 A772 H787 H802 A804 E813	G765-L768 WeakPolarHBondContact O-CB 3.42Å; G765-L768 PolarHBondContact O-N 2.89Å; G765-L768 VanDerWaalsContact O-N 3.08Å; L768-A772 PolarHBondContact O-N 2.83Å; L768-A772 VanDerWaalsContact O-N 3.1Å; L768-H787 HydrophobicContact CD1-CB 3.54Å; L768-H802 HydrophobicContact CD1-CB 4.37Å; L768-H802 WeakPolarHBondContact CD1-O 3.44Å; L768-A804 HydrophobicContact CD2-CB 3.48Å; L768-A804 VanDerWaalsContact CD2-CB 3.48Å; L768-A804 HydrophobicContact CG-CB 3.82Å; L768-E813 HydrophobicContact CD2-CG 4.46Å
769	V	91.6	Very high	89.9	Confident	34 Å²	34	31.7 Å²	31.7	21%	0.206	19%	0.185	C	C	.	.	H	α-helix	trans	-67.4	-45.2	178.3	174.5	0	0	0	0	112	S767 T771 A772 K773 V811 E813	S767-V769 PolarHBondContact O-N 2.91Å; V769-T771 VanDerWaalsContact C-N 3.29Å; V769-T771 PolarHBondContact O-N 3.41Å; V769-A772 PolarHBondContact O-N 3.42Å; V769-K773 HydrophobicContact CG1-CD 4.34Å; V769-K773 WeakPolarHBondContact O-CG 3.38Å; V769-K773 PolarHBondContact O-N 2.91Å; V769-V811 HydrophobicContact CG1-CG1 4.25Å; V769-E813 HydrophobicContact CG2-CG 3.77Å; V769-E813 WeakPolarHBondContact CG2-OE1 3.47Å; V769-E813 WeakPolarHBondContact CG2-OE2 3.17Å
770	E	89.7	Confident	89.7	Confident	56 Å²	56	31.6 Å²	31.6	26%	0.262	18%	0.184	S	C	.	.	H	α-helix	trans	-64.4	-35.1	179.8	-67.4	-56	119.2	0	0	111.8	A619 S767 K773 T774	A619-E770 HydrophobicContact CB-CB 4.32Å; A619-E770 WeakPolarHBondContact CB-O 3.5Å; A619-E770 WeakPolarHBondContact CB-OE2 3.43Å; A619-E770 PolarHBondContact N-OE2 3.09Å; S767-E770 PolarHBondContact O-N 2.89Å; E770-K773 PolarHBondContact O-N 3.34Å; E770-K773 IonicContact OE1-NZ 3.2Å; E770-K773 PolarHBondContact OE1-NZ 2.89Å; E770-T774 WeakPolarHBondContact O-CB 3.45Å; E770-T774 PolarHBondContact O-N 3.21Å; E770-T774 PolarHBondContact O-OG1 2.94Å
771	T	92.3	Very high	89.6	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-67.4	-41.7	174.1	-55.3	0	0	0	0	110.9	M760 S767 V769 T774 L775 V785	M760-T771 HydrophobicContact CE-CG2 3.52Å; M760-T771 HydrophobicContact SD-CG2 3.55Å; M760-T771 VanDerWaalsContact SD-CG2 3.55Å; S767-T771 VanDerWaalsContact O-CB 3.27Å; S767-T771 WeakPolarHBondContact O-CB 3.46Å; S767-T771 PolarHBondContact O-N 3.12Å; S767-T771 PolarHBondContact O-OG1 3.25Å; V769-T771 VanDerWaalsContact C-N 3.29Å; V769-T771 PolarHBondContact O-N 3.41Å; T771-T774 WeakPolarHBondContact O-CB 3.38Å; T771-T774 PolarHBondContact O-N 3.13Å; T771-L775 PolarHBondContact O-N 3.05Å; T771-V785 HydrophobicContact CG2-CG1 3.99Å; T771-V785 HydrophobicContact CG2-CG2 3.88Å
772	A	94.6	Very high	89.7	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65	-40.9	176.8	0	0	0	0	0	111.8	L768 V769 T774 L775 G776 V785 A804 V811	L768-A772 PolarHBondContact O-N 2.83Å; L768-A772 VanDerWaalsContact O-N 3.1Å; V769-A772 PolarHBondContact O-N 3.42Å; A772-T774 VanDerWaalsContact C-N 3.33Å; A772-T774 PolarHBondContact O-N 3.39Å; A772-L775 PolarHBondContact O-N 3.27Å; A772-G776 PolarHBondContact O-N 2.94Å; A772-V785 HydrophobicContact CB-CB 4.41Å; A772-V785 HydrophobicContact CB-CG2 3.8Å; A772-A804 HydrophobicContact CB-CB 3.64Å; A772-V811 HydrophobicContact CB-CG1 3.89Å; A772-V811 HydrophobicContact CB-CG2 3.99Å
773	K	93.8	Very high	90	Very high	81 Å²	81	37.6 Å²	37.6	35%	0.352	21%	0.21	S	C	.	.	H	α-helix	trans	-59.7	-43.8	171.3	-69.7	175.1	-173.9	163.6	0	111.3	A619 V769 E770 L775 G776 Q777 V811	A619-K773 HydrophobicContact CB-CB 3.96Å; V769-K773 HydrophobicContact CG1-CD 4.34Å; V769-K773 WeakPolarHBondContact O-CG 3.38Å; V769-K773 PolarHBondContact O-N 2.91Å; E770-K773 PolarHBondContact O-N 3.34Å; E770-K773 IonicContact OE1-NZ 3.2Å; E770-K773 PolarHBondContact OE1-NZ 2.89Å; K773-L775 PolarHBondContact O-N 3.23Å; K773-G776 PolarHBondContact O-N 3.48Å; K773-Q777 WeakPolarHBondContact O-CG 3.4Å; K773-Q777 PolarHBondContact O-N 3.47Å; K773-V811 HydrophobicContact CG-CG2 3.74Å
774	T	94.4	Very high	90.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.5	-46.1	177.8	-60.1	0	0	0	0	111.3	A619 L622 T623 L749 E770 T771 A772 G776 Q777 L778	A619-T774 WeakPolarHBondContact CA-OG1 3.16Å; A619-T774 PolarHBondContact O-OG1 3.03Å; L622-T774 HydrophobicContact CB-CG2 4.15Å; L622-T774 HydrophobicContact CD2-CG2 4.08Å; L622-T774 HydrophobicContact CG-CG2 4.09Å; T623-T774 WeakPolarHBondContact OG1-CG2 3.39Å; L749-T774 HydrophobicContact CD1-CG2 3.74Å; L749-T774 HydrophobicContact CD2-CG2 4.1Å; E770-T774 WeakPolarHBondContact O-CB 3.45Å; E770-T774 PolarHBondContact O-N 3.21Å; E770-T774 PolarHBondContact O-OG1 2.94Å; T771-T774 WeakPolarHBondContact O-CB 3.38Å; T771-T774 PolarHBondContact O-N 3.13Å; A772-T774 VanDerWaalsContact C-N 3.33Å; A772-T774 PolarHBondContact O-N 3.39Å; T774-G776 VanDerWaalsContact C-N 3.33Å; T774-G776 PolarHBondContact O-N 2.65Å; T774-Q777 CarbonylContact O-C 3.54Å; T774-Q777 PolarHBondContact O-N 3.39Å; T774-Q777 VanDerWaalsContact O-N 3.13Å; T774-L778 HydrophobicContact CG2-CD1 3.95Å; T774-L778 HydrophobicContact CG2-CG 4.42Å; T774-L778 VanDerWaalsContact O-CG 3.3Å; T774-L778 WeakPolarHBondContact O-CG 3.3Å; T774-L778 PolarHBondContact O-N 3.18Å
775	L	94.5	Very high	91.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.3	-43	176.7	-71	174.6	0	0	0	112.4	L749 Q758 M760 T771 A772 K773 L778 G779 R780 A783 V785	L749-L775 HydrophobicContact CD2-CD2 3.49Å; L749-L775 VanDerWaalsContact CD2-CD2 3.49Å; L749-L775 HydrophobicContact CD2-CG 4.05Å; Q758-L775 HydrophobicContact CG-CD2 4.4Å; M760-L775 HydrophobicContact CB-CD1 3.93Å; M760-L775 HydrophobicContact SD-CD1 4.23Å; M760-L775 HydrophobicContact SD-CD2 4.27Å; M760-L775 HydrophobicContact SD-CG 4.46Å; T771-L775 PolarHBondContact O-N 3.05Å; A772-L775 PolarHBondContact O-N 3.27Å; K773-L775 PolarHBondContact O-N 3.23Å; L775-L778 CarbonylContact O-C 3.56Å; L775-L778 PolarHBondContact O-N 3.45Å; L775-G779 PolarHBondContact O-N 3.36Å; L775-R780 WeakPolarHBondContact O-CD 3.41Å; L775-R780 PolarHBondContact O-N 3.27Å; L775-A783 HydrophobicContact CB-CB 3.92Å; L775-A783 HydrophobicContact CD1-CB 3.73Å; L775-A783 HydrophobicContact CG-CB 4.43Å; L775-V785 HydrophobicContact CD1-CG2 3.57Å
776	G	93.3	Very high	92.3	Very high	9 Å²	9	32.3 Å²	32.3	9%	0.093	18%	0.176	C	C	.	.	H	α-helix	trans	-60.9	-43.1	173.4	0	0	0	0	0	113.5	A772 K773 T774 L778 G779	A772-G776 PolarHBondContact O-N 2.94Å; K773-G776 PolarHBondContact O-N 3.48Å; T774-G776 VanDerWaalsContact C-N 3.33Å; T774-G776 PolarHBondContact O-N 2.65Å; G776-L778 PolarHBondContact O-N 2.93Å; G776-G779 PolarHBondContact O-N 3.44Å
777	Q	93.2	Very high	93	Very high	84 Å²	84	25.5 Å²	25.5	39%	0.393	14%	0.139	S	C	.	.	H	α-helix	trans	-67.2	-23.8	176.6	-69.2	174.3	-5.7	0	0	113.2	A619 T623 K773 T774 G779	A619-Q777 PolarHBondContact O-OE1 3.49Å; T623-Q777 HydrophobicContact CG2-CB 3.8Å; T623-Q777 PolarHBondContact OG1-OE1 3.2Å; K773-Q777 WeakPolarHBondContact O-CG 3.4Å; K773-Q777 PolarHBondContact O-N 3.47Å; T774-Q777 CarbonylContact O-C 3.54Å; T774-Q777 PolarHBondContact O-N 3.39Å; T774-Q777 VanDerWaalsContact O-N 3.13Å; Q777-G779 VanDerWaalsContact C-N 3.26Å
778	L	92.7	Very high	93.5	Very high	19 Å²	19	24.7 Å²	24.7	10%	0.099	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	10.2	171.8	-63.6	170.9	0	0	0	113.1	T623 A626 Q627 L749 T774 L775 G776 R780	T623-L778 HydrophobicContact CG2-CD2 4.16Å; A626-L778 HydrophobicContact CB-CD1 3.99Å; A626-L778 HydrophobicContact CB-CD2 3.99Å; Q627-L778 HydrophobicContact CG-CD2 3.65Å; L749-L778 HydrophobicContact CB-CD1 3.84Å; L749-L778 HydrophobicContact CD2-CD1 4.15Å; L749-L778 HydrophobicContact CG-CD1 4.47Å; T774-L778 HydrophobicContact CG2-CD1 3.95Å; T774-L778 HydrophobicContact CG2-CG 4.42Å; T774-L778 VanDerWaalsContact O-CG 3.3Å; T774-L778 WeakPolarHBondContact O-CG 3.3Å; T774-L778 PolarHBondContact O-N 3.18Å; L775-L778 CarbonylContact O-C 3.56Å; L775-L778 PolarHBondContact O-N 3.45Å; G776-L778 PolarHBondContact O-N 2.93Å; L778-R780 VanDerWaalsContact CB-NH1 3.25Å; L778-R780 PolarHBondContact O-NH1 3.15Å
779	G	90.9	Very high	93.6	Very high	54 Å²	54	28.4 Å²	28.4	56%	0.557	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.7	7.6	167.1	0	0	0	0	0	116.4	L775 G776 Q777 E781	L775-G779 PolarHBondContact O-N 3.36Å; G776-G779 PolarHBondContact O-N 3.44Å; Q777-G779 VanDerWaalsContact C-N 3.26Å; G779-E781 PolarHBondContact O-N 2.92Å
780	R	92.6	Very high	93.4	Very high	4 Å²	4	30 Å²	30	2%	0.015	17%	0.174	C	C	.	.			trans	-68.8	130.3	176.1	-77	55.5	163.2	176.8	-5.1	109.1	L749 D756 Q758 L775 L778 A783 Y806	L749-R780 PolarHBondContact O-NH2 3.34Å; D756-R780 CarbonylContact O-C 3.57Å; D756-R780 WeakPolarHBondContact O-CA 3.32Å; Q758-R780 HydrophobicContact CB-CG 3.96Å; Q758-R780 VanDerWaalsContact OE1-CZ 3.24Å; L775-R780 WeakPolarHBondContact O-CD 3.41Å; L775-R780 PolarHBondContact O-N 3.27Å; L778-R780 VanDerWaalsContact CB-NH1 3.25Å; L778-R780 PolarHBondContact O-NH1 3.15Å; R780-A783 HydrophobicContact CB-CB 4.22Å; R780-A783 HydrophobicContact CG-CB 4.49Å; R780-Y806 WeakPolarHBondContact O-CE1 3.48Å
781	E	92.2	Very high	93.2	Very high	108 Å²	108	28.4 Å²	28.4	51%	0.505	17%	0.172	S	C	.	.	S	Bend	trans	-66.7	-40.9	173.3	-64.2	-171.6	163	0	0	111.2	D756 Y757 G779	D756-E781 PolarHBondContact O-N 2.81Å; Y757-E781 HydrophobicContact CD1-CB 4.37Å; Y757-E781 HydrophobicContact CE1-CB 3.81Å; Y757-E781 WeakPolarHBondContact CE1-OE2 2.93Å; Y757-E781 PolarHBondContact OH-OE2 2.96Å; G779-E781 PolarHBondContact O-N 2.92Å
782	R	95	Very high	93.1	Very high	22 Å²	22	28.5 Å²	28.5	8%	0.083	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	136.1	175.9	-170.4	176.3	-175.5	-178.5	-6.3	110.3	Y757 Q758 Y806 Q807 M867 A868	Y757-R782 VanDerWaalsContact CA-O 3.3Å; Y757-R782 WeakPolarHBondContact CA-O 3.48Å; Y757-R782 HydrophobicContact CD1-CB 3.91Å; Y757-R782 HydrophobicContact CE1-CB 4.22Å; Q758-R782 PolarHBondContact N-O 3.37Å; R782-Y806 WeakPolarHBondContact CA-O 3.39Å; R782-Y806 WeakPolarHBondContact CG-O 3.49Å; R782-Q807 HydrophobicContact CG-CB 4.37Å; R782-Q807 HydrophobicContact CG-CG 4.41Å; R782-M867 PolarHBondContact NE-O 3.21Å; R782-M867 PolarHBondContact NH1-O 3.16Å; R782-M867 VanDerWaalsContact NH1-O 3.15Å; R782-M867 PolarHBondContact NH2-O 3.37Å; R782-A868 WeakPolarHBondContact CB-O 3.5Å; R782-A868 WeakPolarHBondContact CD-O 3.13Å; R782-A868 VanDerWaalsContact CG-O 3.28Å; R782-A868 WeakPolarHBondContact CG-O 3.5Å
783	A	96.1	Very high	92.9	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	154.3	175.3	0	0	0	0	0	111.5	Q758 L775 R780 V805 Y806	Q758-A783 HydrophobicContact CB-CB 4.39Å; Q758-A783 CarbonylContact O-C 3.58Å; Q758-A783 WeakPolarHBondContact O-CA 3.14Å; Q758-A783 WeakPolarHBondContact O-CB 3.3Å; L775-A783 HydrophobicContact CB-CB 3.92Å; L775-A783 HydrophobicContact CD1-CB 3.73Å; L775-A783 HydrophobicContact CG-CB 4.43Å; R780-A783 HydrophobicContact CB-CB 4.22Å; R780-A783 HydrophobicContact CG-CB 4.49Å; A783-V805 CarbonylContact O-C 3.48Å; A783-V805 WeakPolarHBondContact O-CA 3.45Å; A783-Y806 PolarHBondContact N-O 2.93Å; A783-Y806 PolarHBondContact O-N 3.05Å
784	I	97.1	Very high	92.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125.5	171.8	-58.5	-175.8	0	0	0	108	Q758 L759 M760 I786 C803 A804 V805 M867 A868	Q758-I784 PolarHBondContact O-N 3.37Å; L759-I784 CarbonylContact C-O 2.95Å; L759-I784 WeakPolarHBondContact CA-O 3.33Å; L759-I784 HydrophobicContact CD1-CB 3.89Å; L759-I784 HydrophobicContact CD1-CG2 4.08Å; M760-I784 PolarHBondContact N-O 3.03Å; I784-I786 HydrophobicContact CG2-CG2 3.83Å; I784-C803 HydrophobicContact CG2-CB 4.29Å; I784-A804 WeakPolarHBondContact CA-O 3.17Å; I784-V805 HydrophobicContact CD1-CG2 4.3Å; I784-V805 HydrophobicContact CG1-CG1 4.22Å; I784-V805 HydrophobicContact CG1-CG2 4.1Å; I784-M867 HydrophobicContact CD1-CB 4.14Å; I784-M867 HydrophobicContact CD1-CG 3.97Å; I784-M867 HydrophobicContact CD1-SD 4.21Å; I784-A868 HydrophobicContact CB-CB 4.1Å; I784-A868 HydrophobicContact CD1-CB 3.85Å; I784-A868 HydrophobicContact CG1-CB 3.7Å
785	V	96.3	Very high	92.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.6	169.3	-176	0	0	0	0	108.7	M760 T762 T771 A772 L775 C803 A804	M760-V785 HydrophobicContact CB-CG2 4.45Å; M760-V785 CarbonylContact O-C 3.57Å; M760-V785 WeakPolarHBondContact O-CA 3.36Å; T762-V785 HydrophobicContact CG2-CG1 3.67Å; T771-V785 HydrophobicContact CG2-CG1 3.99Å; T771-V785 HydrophobicContact CG2-CG2 3.88Å; A772-V785 HydrophobicContact CB-CB 4.41Å; A772-V785 HydrophobicContact CB-CG2 3.8Å; L775-V785 HydrophobicContact CD1-CG2 3.57Å; V785-C803 CarbonylContact O-C 3.6Å; V785-C803 VanDerWaalsContact O-CA 3.23Å; V785-C803 WeakPolarHBondContact O-CA 3.34Å; V785-A804 PolarHBondContact N-O 3.2Å; V785-A804 PolarHBondContact O-N 3.09Å
786	I	95.8	Very high	92.8	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.021	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	139.7	-176.2	67.3	-176.4	0	0	0	111.1	L759 M760 T762 I784 A795 H802 L864	L759-I786 HydrophobicContact CD1-CD1 4.45Å; L759-I786 HydrophobicContact CD1-CG2 3.88Å; M760-I786 PolarHBondContact O-N 3.45Å; T762-I786 PolarHBondContact N-O 2.97Å; I784-I786 HydrophobicContact CG2-CG2 3.83Å; I786-A795 HydrophobicContact CD1-CB 4.49Å; I786-H802 WeakPolarHBondContact CA-O 3.28Å; I786-L864 HydrophobicContact CG2-CD1 4.22Å
787	H	94.5	Very high	93	Very high	33 Å²	33	25.5 Å²	25.5	15%	0.153	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	102.1	169.2	-176	72.6	0	0	0	107.9	T762 Y763 G765 L768 H802	T762-H787 HydrophobicContact CG2-CB 4.49Å; T762-H787 PolarHBondContact O-ND1 3.35Å; Y763-H787 PolarHBondContact O-CE1 3.26Å; G765-H787 PolarHBondContact N-CE1 3.48Å; L768-H787 HydrophobicContact CD1-CB 3.54Å; H787-H802 HydrophobicContact CB-CB 4.45Å; H787-H802 PolarHBondContact N-O 3.03Å; H787-H802 PolarHBondContact O-N 3.25Å
788	G	93.1	Very high	93	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.01	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-78.3	162.2	-176.5	0	0	0	0	0	112.9	G790 G791 M792 E794	G788-G790 PolarHBondContact O-N 3.22Å; G788-G791 PolarHBondContact O-N 2.9Å; G788-G791 VanDerWaalsContact O-N 3.16Å; G788-M792 WeakPolarHBondContact CA-O 3.49Å; G788-M792 PolarHBondContact N-O 3.35Å; G788-M792 PolarHBondContact O-N 2.83Å; G788-E794 WeakPolarHBondContact CA-O 3.39Å
789	H	92.6	Very high	93.1	Very high	86 Å²	86	21.7 Å²	21.7	40%	0.398	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-51.1	135.6	177	-177.7	77	0	0	0	112	N796 T800	H789-N796 PolarHBondContact N-ND2 2.99Å; H789-N796 PolarHBondContact O-ND2 2.92Å; H789-T800 WeakPolarHBondContact CA-O 3.39Å; H789-T800 WeakPolarHBondContact CB-O 3.19Å; H789-T800 PolarHBondContact N-O 2.86Å
790	G	87	Confident	93.3	Very high	69 Å²	69	21.3 Å²	21.3	71%	0.711	13%	0.131	S	C	*	.	G	3₁₀ helix	trans	79.5	12.3	-179.7	0	0	0	0	0	114.9	G788	G788-G790 PolarHBondContact O-N 3.22Å
791	G	85.6	Confident	93.5	Very high	22 Å²	22	21.2 Å²	21.2	23%	0.227	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	84.9	14.2	-179.4	0	0	0	0	0	114.3	Y763 G788	Y763-G791 WeakPolarHBondContact CA-O 3.43Å; G788-G791 PolarHBondContact O-N 2.9Å; G788-G791 VanDerWaalsContact O-N 3.16Å
792	M	89.4	Confident	93.7	Very high	3 Å²	3	20 Å²	20	2%	0.015	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-72.3	138	-178.6	-165.1	170.9	175.2	0	0	110.2	D652 I659 G788 E794 N796 L828 I831	D652-M792 VanDerWaalsContact OD2-CG 3.28Å; D652-M792 WeakPolarHBondContact OD2-CG 3.39Å; I659-M792 HydrophobicContact CD1-CE 3.63Å; G788-M792 WeakPolarHBondContact CA-O 3.49Å; G788-M792 PolarHBondContact N-O 3.35Å; G788-M792 PolarHBondContact O-N 2.83Å; M792-E794 HydrophobicContact CE-CB 3.88Å; M792-E794 WeakPolarHBondContact CE-OE2 3.41Å; M792-E794 HydrophobicContact CG-CB 4.17Å; M792-E794 PolarHBondContact O-N 3.38Å; M792-E794 VanDerWaalsContact O-N 3.11Å; M792-N796 HydrophobicContact SD-CB 3.82Å; M792-N796 PolarHBondContact SD-ND2 2.94Å; M792-L828 HydrophobicContact SD-CD2 4.02Å; M792-I831 HydrophobicContact CE-CD1 3.81Å; M792-I831 HydrophobicContact SD-CD1 4.13Å
793	D	90	Very high	93.8	Very high	9 Å²	9	19 Å²	19	5%	0.048	12%	0.121	C	C	.	.	S	Bend	trans	-82.3	23.2	176.8	67.1	-18.7	0	0	0	112.6	G648 T649 G650 G761	G648-D793 WeakPolarHBondContact CA-OD2 3.32Å; T649-D793 PolarHBondContact N-OD2 2.79Å; T649-D793 VanDerWaalsContact N-OD2 3.07Å; G650-D793 WeakPolarHBondContact CA-OD2 3.5Å; G650-D793 PolarHBondContact N-OD2 3.29Å; G761-D793 WeakPolarHBondContact CA-O 3.43Å
794	E	92.5	Very high	93.8	Very high	16 Å²	16	19 Å²	19	8%	0.075	12%	0.121	C	C	.	.	S	Bend	trans	-144.7	145.9	-176.3	-66.6	163.7	146.4	0	0	108.3	S656 I659 G788 M792	S656-E794 PolarHBondContact OG-OE2 2.86Å; I659-E794 HydrophobicContact CD1-CB 4.39Å; I659-E794 WeakPolarHBondContact CD1-OE2 3.37Å; G788-E794 WeakPolarHBondContact CA-O 3.39Å; M792-E794 HydrophobicContact CE-CB 3.88Å; M792-E794 WeakPolarHBondContact CE-OE2 3.41Å; M792-E794 HydrophobicContact CG-CB 4.17Å; M792-E794 PolarHBondContact O-N 3.38Å; M792-E794 VanDerWaalsContact O-N 3.11Å
795	A	95.1	Very high	93.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.125	C	C	.	.			trans	-68.7	136.1	173.1	0	0	0	0	0	108.6	I786 T801 L860 N861 L864	I786-A795 HydrophobicContact CD1-CB 4.49Å; A795-T801 HydrophobicContact CB-CG2 3.94Å; A795-L860 HydrophobicContact CB-CD2 3.84Å; A795-L860 HydrophobicContact CB-CG 4.04Å; A795-N861 PolarHBondContact N-OD1 2.88Å; A795-N861 PolarHBondContact O-ND2 3.22Å; A795-L864 HydrophobicContact CB-CD1 3.62Å
796	N	94.5	Very high	93.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.132	C	C	.	.			trans	-138.5	164.7	-176.8	69.2	69.7	0	0	0	111.8	H789 M792 A798 L828 I831	H789-N796 PolarHBondContact N-ND2 2.99Å; H789-N796 PolarHBondContact O-ND2 2.92Å; M792-N796 HydrophobicContact SD-CB 3.82Å; M792-N796 PolarHBondContact SD-ND2 2.94Å; N796-A798 VanDerWaalsContact C-N 3.32Å; N796-A798 PolarHBondContact O-N 3.45Å; N796-A798 VanDerWaalsContact OD1-CB 3.29Å; N796-A798 WeakPolarHBondContact OD1-CB 3.43Å; N796-A798 PolarHBondContact OD1-N 3.47Å; N796-L828 HydrophobicContact CB-CD2 4.03Å; N796-I831 HydrophobicContact CB-CD1 4.05Å
797	L	96	Very high	93.6	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.01	15%	0.149	C	C	.	.	S	Bend	trans	-87.8	6.2	-175.4	-56.7	179.5	0	0	0	113.2	P818 F823 R825 V826 E856 L860	L797-P818 HydrophobicContact CD2-CB 4.21Å; L797-P818 WeakPolarHBondContact O-CG 3.47Å; L797-F823 HydrophobicContact CD2-CB 3.65Å; L797-F823 HydrophobicContact CD2-CD2 4Å; L797-F823 HydrophobicContact CD2-CG 3.91Å; L797-R825 CarbonylContact O-C 3.55Å; L797-R825 WeakPolarHBondContact O-CA 3.49Å; L797-V826 CarbonylContact C-O 3.5Å; L797-V826 HydrophobicContact CB-CB 3.96Å; L797-V826 HydrophobicContact CB-CG2 4.28Å; L797-V826 HydrophobicContact CD1-CB 4.35Å; L797-V826 HydrophobicContact CD1-CG2 4.01Å; L797-V826 PolarHBondContact O-N 3.43Å; L797-E856 HydrophobicContact CD1-CB 3.78Å; L797-L860 HydrophobicContact CD2-CD2 4.01Å
798	A	94.4	Very high	93	Very high	21 Å²	21	30.4 Å²	30.4	17%	0.174	18%	0.178	C	C	.	.	S	Bend	trans	-85.1	-26.2	-175.1	0	0	0	0	0	113.2	N796 V826 L828	N796-A798 VanDerWaalsContact C-N 3.32Å; N796-A798 PolarHBondContact O-N 3.45Å; N796-A798 VanDerWaalsContact OD1-CB 3.29Å; N796-A798 WeakPolarHBondContact OD1-CB 3.43Å; N796-A798 PolarHBondContact OD1-N 3.47Å; A798-V826 VanDerWaalsContact CA-O 3.25Å; A798-V826 WeakPolarHBondContact CA-O 3.49Å; A798-V826 PolarHBondContact N-O 2.9Å; A798-L828 HydrophobicContact CB-CD2 3.8Å; A798-L828 HydrophobicContact CB-CG 3.81Å
799	G	93.8	Very high	92.6	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.01	21%	0.207	C	C	.	.	S	Bend	trans	-178.5	-160.6	179.2	0	0	0	0	0	112.7	T801 P818	G799-T801 PolarHBondContact O-N 2.68Å; G799-P818 WeakPolarHBondContact O-CD 3.16Å
800	T	95.5	Very high	92.6	Very high	47 Å²	47	31.4 Å²	31.4	29%	0.288	21%	0.207	S	C	.	.			trans	-59.4	133.8	-173.3	-44.6	0	0	0	0	112.5	H789 F816 D817	H789-T800 WeakPolarHBondContact CA-O 3.39Å; H789-T800 WeakPolarHBondContact CB-O 3.19Å; H789-T800 PolarHBondContact N-O 2.86Å; T800-F816 WeakPolarHBondContact CA-O 3.41Å; T800-D817 WeakPolarHBondContact CA-OD1 3.32Å; T800-D817 WeakPolarHBondContact CB-OD1 3.24Å; T800-D817 PolarHBondContact N-OD1 3.29Å; T800-D817 PolarHBondContact OG1-OD1 2.73Å
801	T	96.1	Very high	92.9	Very high	1 Å²	1	30 Å²	30	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	129.2	169.1	-61.4	0	0	0	0	109.1	A795 G799 S815 F816	A795-T801 HydrophobicContact CB-CG2 3.94Å; G799-T801 PolarHBondContact O-N 2.68Å; T801-S815 WeakPolarHBondContact O-CA 3.2Å; T801-S815 WeakPolarHBondContact O-CB 3.46Å; T801-F816 HydrophobicContact CG2-CE1 3.95Å; T801-F816 HydrophobicContact CG2-CZ 4.02Å; T801-F816 PolarHBondContact N-O 3.32Å; T801-F816 PolarHBondContact O-N 3.26Å; T801-F816 VanDerWaalsContact O-N 3.13Å
802	H	96.8	Very high	93.3	Very high	84 Å²	84	35.5 Å²	35.5	39%	0.389	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	135.4	174.4	-58.8	-73.3	0	0	0	109.9	L768 I786 H787 S815	L768-H802 HydrophobicContact CD1-CB 4.37Å; L768-H802 WeakPolarHBondContact CD1-O 3.44Å; I786-H802 WeakPolarHBondContact CA-O 3.28Å; H787-H802 HydrophobicContact CB-CB 4.45Å; H787-H802 PolarHBondContact N-O 3.03Å; H787-H802 PolarHBondContact O-N 3.25Å; H802-S815 PolarHBondContact ND1-OG 3.22Å
803	C	96.7	Very high	93.7	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.007	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	141	-174.9	-66.3	0	0	0	0	111.2	I784 V785 E813 F814	I784-C803 HydrophobicContact CG2-CB 4.29Å; V785-C803 CarbonylContact O-C 3.6Å; V785-C803 VanDerWaalsContact O-CA 3.23Å; V785-C803 WeakPolarHBondContact O-CA 3.34Å; C803-E813 VanDerWaalsContact O-CA 3.32Å; C803-E813 WeakPolarHBondContact O-CA 3.23Å; C803-F814 HydrophobicContact CB-CD1 3.64Å; C803-F814 HydrophobicContact CB-CD2 4.41Å; C803-F814 HydrophobicContact CB-CE1 3.24Å; C803-F814 HydrophobicContact CB-CE2 4.11Å; C803-F814 HydrophobicContact CB-CG 4.21Å; C803-F814 HydrophobicContact CB-CZ 3.51Å; C803-F814 PolarHBondContact N-O 3.38Å; C803-F814 PolarHBondContact O-N 3.42Å; C803-F814 VanDerWaalsContact O-O 3.11Å
804	A	96.4	Very high	93.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118.1	166.3	0	0	0	0	0	109.6	L768 A772 I784 V785 V811 E813	L768-A804 HydrophobicContact CD2-CB 3.48Å; L768-A804 VanDerWaalsContact CD2-CB 3.48Å; L768-A804 HydrophobicContact CG-CB 3.82Å; A772-A804 HydrophobicContact CB-CB 3.64Å; I784-A804 WeakPolarHBondContact CA-O 3.17Å; V785-A804 PolarHBondContact N-O 3.2Å; V785-A804 PolarHBondContact O-N 3.09Å; A804-V811 HydrophobicContact CB-CG1 3.83Å; A804-E813 HydrophobicContact CB-CG 4.42Å
805	V	96.2	Very high	94.1	Very high	13 Å²	13	46.1 Å²	46.1	8%	0.079	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	115.9	177.3	-172.9	0	0	0	0	108.8	A783 I784 V811 Q812 F814	A783-V805 CarbonylContact O-C 3.48Å; A783-V805 WeakPolarHBondContact O-CA 3.45Å; I784-V805 HydrophobicContact CD1-CG2 4.3Å; I784-V805 HydrophobicContact CG1-CG1 4.22Å; I784-V805 HydrophobicContact CG1-CG2 4.1Å; V805-V811 CarbonylContact O-C 3.59Å; V805-V811 VanDerWaalsContact O-CA 3.27Å; V805-V811 WeakPolarHBondContact O-CA 3.32Å; V805-Q812 PolarHBondContact N-O 3.32Å; V805-Q812 PolarHBondContact O-N 3.23Å; V805-F814 HydrophobicContact CG2-CD1 3.7Å; V805-F814 HydrophobicContact CG2-CE1 3.37Å
806	Y	96.1	Very high	94.1	Very high	38 Å²	38	46.7 Å²	46.7	15%	0.149	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	126.1	163.6	179.4	-92.1	0	0	0	109.6	R780 R782 A783 G809 A810 V811	R780-Y806 WeakPolarHBondContact O-CE1 3.48Å; R782-Y806 WeakPolarHBondContact CA-O 3.39Å; R782-Y806 WeakPolarHBondContact CG-O 3.49Å; A783-Y806 PolarHBondContact N-O 2.93Å; A783-Y806 PolarHBondContact O-N 3.05Å; Y806-G809 WeakPolarHBondContact OH-CA 3.23Å; Y806-G809 PolarHBondContact OH-N 3.15Å; Y806-A810 WeakPolarHBondContact CA-O 3.41Å; Y806-V811 HydrophobicContact CD2-CG2 3.91Å
807	Q	92.7	Very high	94.2	Very high	81 Å²	81	48.5 Å²	48.5	38%	0.379	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	130.7	171.2	-172.1	172	10.4	0	0	110.2	R782 G809 A810	R782-Q807 HydrophobicContact CG-CB 4.37Å; R782-Q807 HydrophobicContact CG-CG 4.41Å; Q807-G809 VanDerWaalsContact C-N 3.28Å; Q807-G809 PolarHBondContact O-N 3.47Å; Q807-A810 PolarHBondContact N-O 3.12Å; Q807-A810 PolarHBondContact O-N 3Å
808	N	83.5	Confident	94.2	Very high	144 Å²	144	48.4 Å²	48.4	77%	0.77	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	41.8	173.7	-60.4	-27.4	0	0	0	114.1	A810	N808-A810 VanDerWaalsContact C-N 3.28Å; N808-A810 PolarHBondContact O-N 2.85Å
809	G	84	Confident	94.2	Very high	60 Å²	60	51.9 Å²	51.9	62%	0.619	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	-3.6	178.2	0	0	0	0	0	115.6	Y806 Q807	Y806-G809 WeakPolarHBondContact OH-CA 3.23Å; Y806-G809 PolarHBondContact OH-N 3.15Å; Q807-G809 VanDerWaalsContact C-N 3.28Å; Q807-G809 PolarHBondContact O-N 3.47Å
810	A	91.4	Very high	94.1	Very high	47 Å²	47	58.3 Å²	58.3	39%	0.388	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	148.1	175.7	0	0	0	0	0	111	Y806 Q807 N808	Y806-A810 WeakPolarHBondContact CA-O 3.41Å; Q807-A810 PolarHBondContact N-O 3.12Å; Q807-A810 PolarHBondContact O-N 3Å; N808-A810 VanDerWaalsContact C-N 3.28Å; N808-A810 PolarHBondContact O-N 2.85Å
811	V	94.3	Very high	93.9	Very high	39 Å²	39	56.5 Å²	56.5	24%	0.236	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128.1	167.4	178.9	0	0	0	0	108.2	V769 A772 K773 A804 V805 Y806	V769-V811 HydrophobicContact CG1-CG1 4.25Å; A772-V811 HydrophobicContact CB-CG1 3.89Å; A772-V811 HydrophobicContact CB-CG2 3.99Å; K773-V811 HydrophobicContact CG-CG2 3.74Å; A804-V811 HydrophobicContact CB-CG1 3.83Å; V805-V811 CarbonylContact O-C 3.59Å; V805-V811 VanDerWaalsContact O-CA 3.27Å; V805-V811 WeakPolarHBondContact O-CA 3.32Å; Y806-V811 HydrophobicContact CD2-CG2 3.91Å
812	Q	94.7	Very high	93.7	Very high	138 Å²	138	59.7 Å²	59.7	65%	0.645	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	131	173.3	-67	-179.1	0.9	0	0	109	V805	V805-Q812 PolarHBondContact N-O 3.32Å; V805-Q812 PolarHBondContact O-N 3.23Å
813	E	96.3	Very high	93.6	Very high	134 Å²	134	56.7 Å²	56.7	63%	0.626	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	142.2	177.1	-66.4	172.3	-98.3	0	0	110	L768 V769 C803 A804	L768-E813 HydrophobicContact CD2-CG 4.46Å; V769-E813 HydrophobicContact CG2-CG 3.77Å; V769-E813 WeakPolarHBondContact CG2-OE1 3.47Å; V769-E813 WeakPolarHBondContact CG2-OE2 3.17Å; C803-E813 VanDerWaalsContact O-CA 3.32Å; C803-E813 WeakPolarHBondContact O-CA 3.23Å; A804-E813 HydrophobicContact CB-CG 4.42Å
814	F	95.3	Very high	93.5	Very high	60 Å²	60	65 Å²	65	26%	0.263	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	163.9	167	75.7	-80.4	0	0	0	109.2	C803 V805 F816 L864 M867	C803-F814 HydrophobicContact CB-CD1 3.64Å; C803-F814 HydrophobicContact CB-CD2 4.41Å; C803-F814 HydrophobicContact CB-CE1 3.24Å; C803-F814 HydrophobicContact CB-CE2 4.11Å; C803-F814 HydrophobicContact CB-CG 4.21Å; C803-F814 HydrophobicContact CB-CZ 3.51Å; C803-F814 PolarHBondContact N-O 3.38Å; C803-F814 PolarHBondContact O-N 3.42Å; C803-F814 VanDerWaalsContact O-O 3.11Å; V805-F814 HydrophobicContact CG2-CD1 3.7Å; V805-F814 HydrophobicContact CG2-CE1 3.37Å; F814-F816 HydrophobicContact CD2-CD1 4.13Å; F814-F816 AromaticContact CE2-CD1 3.57Å; F814-F816 HydrophobicContact CE2-CD1 3.57Å; F814-F816 HydrophobicContact CE2-CE1 4.04Å; F814-L864 HydrophobicContact CZ-CD2 4.19Å; F814-M867 HydrophobicContact CE1-CE 4.46Å; F814-M867 HydrophobicContact CZ-CE 4.42Å
815	S	96.2	Very high	93.4	Very high	58 Å²	58	70.9 Å²	70.9	41%	0.406	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	153.6	173.5	-56	0	0	0	0	108.3	T801 H802	T801-S815 WeakPolarHBondContact O-CA 3.2Å; T801-S815 WeakPolarHBondContact O-CB 3.46Å; H802-S815 PolarHBondContact ND1-OG 3.22Å
816	F	95.8	Very high	93.2	Very high	11 Å²	11	71.8 Å²	71.8	5%	0.048	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	149.1	178	66.6	-85.6	0	0	0	110.1	T800 T801 F814 E820 A821 L860 L864 L875	T800-F816 WeakPolarHBondContact CA-O 3.41Å; T801-F816 HydrophobicContact CG2-CE1 3.95Å; T801-F816 HydrophobicContact CG2-CZ 4.02Å; T801-F816 PolarHBondContact N-O 3.32Å; T801-F816 PolarHBondContact O-N 3.26Å; T801-F816 VanDerWaalsContact O-N 3.13Å; F814-F816 HydrophobicContact CD2-CD1 4.13Å; F814-F816 AromaticContact CE2-CD1 3.57Å; F814-F816 HydrophobicContact CE2-CD1 3.57Å; F814-F816 HydrophobicContact CE2-CE1 4.04Å; F816-E820 VanDerWaalsContact CA-OE2 3.31Å; F816-E820 WeakPolarHBondContact CA-OE2 3.18Å; F816-E820 HydrophobicContact CB-CB 4.49Å; F816-E820 WeakPolarHBondContact CB-OE2 3.46Å; F816-A821 HydrophobicContact CD2-CB 4.14Å; F816-A821 HydrophobicContact CE2-CB 4.23Å; F816-L860 HydrophobicContact CE2-CD1 3.68Å; F816-L860 HydrophobicContact CE2-CD2 4.22Å; F816-L860 HydrophobicContact CE2-CG 4.43Å; F816-L860 HydrophobicContact CZ-CD1 3.93Å; F816-L860 HydrophobicContact CZ-CD2 4.49Å; F816-L860 HydrophobicContact CZ-CG 4.48Å; F816-L864 HydrophobicContact CE1-CD1 4.4Å; F816-L864 HydrophobicContact CE1-CD2 4.21Å; F816-L864 HydrophobicContact CZ-CD1 4.14Å; F816-L875 HydrophobicContact CD1-CD2 4.23Å; F816-L875 HydrophobicContact CD2-CD2 3.94Å; F816-L875 HydrophobicContact CE1-CD2 4.06Å; F816-L875 HydrophobicContact CE2-CD2 3.82Å; F816-L875 HydrophobicContact CG-CD2 4.16Å; F816-L875 HydrophobicContact CZ-CD2 3.86Å
817	D	96.3	Very high	93	Very high	38 Å²	38	74.5 Å²	74.5	20%	0.203	41%	0.408	C	S	.	.			trans	-91	155.2	168.7	-86.5	-23.8	0	0	0	110.9	T800 E819 E820 A821 R825	T800-D817 WeakPolarHBondContact CA-OD1 3.32Å; T800-D817 WeakPolarHBondContact CB-OD1 3.24Å; T800-D817 PolarHBondContact N-OD1 3.29Å; T800-D817 PolarHBondContact OG1-OD1 2.73Å; D817-E819 PolarHBondContact O-N 2.91Å; D817-E819 VanDerWaalsContact O-N 3.11Å; D817-E820 HydrophobicContact CB-CG 4.39Å; D817-E820 PolarHBondContact N-OE2 3.13Å; D817-E820 WeakPolarHBondContact O-CB 3.42Å; D817-E820 PolarHBondContact O-N 3.37Å; D817-A821 PolarHBondContact O-N 3.28Å; D817-R825 IonicContact OD1-NH2 3.58Å; D817-R825 IonicContact OD2-NH2 2.65Å; D817-R825 PolarHBondContact OD2-NH2 3.13Å
818	P	94.8	Very high	92.9	Very high	1 Å²	1	73.5 Å²	73.5	1%	0.006	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-35.7	179.7	-27.8	36.1	0	0	0	113.5	L797 G799 E820 A821 G822 F823 R825	L797-P818 HydrophobicContact CD2-CB 4.21Å; L797-P818 WeakPolarHBondContact O-CG 3.47Å; G799-P818 WeakPolarHBondContact O-CD 3.16Å; P818-E820 VanDerWaalsContact C-N 3.33Å; P818-E820 PolarHBondContact O-N 3.39Å; P818-A821 PolarHBondContact O-N 2.95Å; P818-G822 PolarHBondContact O-N 3.3Å; P818-F823 CarbonylContact C-O 3.6Å; P818-F823 VanDerWaalsContact C-O 3.27Å; P818-F823 PolarHBondContact O-N 2.94Å; P818-R825 HydrophobicContact CG-CG 4.32Å
819	E	95.3	Very high	93.1	Very high	94 Å²	94	70.6 Å²	70.6	44%	0.439	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-34.6	178	-64.5	95.1	152.5	0	0	113.4	D817 A821 G822 F823 R825	D817-E819 PolarHBondContact O-N 2.91Å; D817-E819 VanDerWaalsContact O-N 3.11Å; E819-A821 PolarHBondContact O-N 2.89Å; E819-G822 PolarHBondContact O-N 3.31Å; E819-G822 VanDerWaalsContact O-N 3.11Å; E819-F823 VanDerWaalsContact CA-O 3.24Å; E819-F823 WeakPolarHBondContact CA-O 3.18Å; E819-F823 PolarHBondContact N-O 3.43Å; E819-R825 VanDerWaalsContact CD-NE 3.29Å; E819-R825 VanDerWaalsContact OE1-CD 3.29Å; E819-R825 WeakPolarHBondContact OE1-CD 3.28Å; E819-R825 VanDerWaalsContact OE1-CG 3.28Å; E819-R825 WeakPolarHBondContact OE1-CG 3.29Å; E819-R825 IonicContact OE1-CZ 2.65Å; E819-R825 IonicContact OE1-NE 3.74Å; E819-R825 PolarHBondContact OE1-NE 3.34Å; E819-R825 IonicContact OE1-NH2 3.43Å; E819-R825 IonicContact OE2-CZ 3.74Å; E819-R825 IonicContact OE2-NE 3.19Å; E819-R825 PolarHBondContact OE2-NE 3.47Å; E819-R825 VanDerWaalsContact OE2-NE 3.08Å; E819-R825 IonicContact OE2-NH2 2.81Å; E819-R825 PolarHBondContact OE2-NH2 3.42Å
820	E	91.7	Very high	93.4	Very high	135 Å²	135	69 Å²	69	63%	0.631	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-27.1	176.8	-60.1	178	176.9	0	0	111.5	F816 D817 P818 G822	F816-E820 VanDerWaalsContact CA-OE2 3.31Å; F816-E820 WeakPolarHBondContact CA-OE2 3.18Å; F816-E820 HydrophobicContact CB-CB 4.49Å; F816-E820 WeakPolarHBondContact CB-OE2 3.46Å; D817-E820 HydrophobicContact CB-CG 4.39Å; D817-E820 PolarHBondContact N-OE2 3.13Å; D817-E820 WeakPolarHBondContact O-CB 3.42Å; D817-E820 PolarHBondContact O-N 3.37Å; P818-E820 VanDerWaalsContact C-N 3.33Å; P818-E820 PolarHBondContact O-N 3.39Å; E820-G822 VanDerWaalsContact C-N 3.3Å
821	A	90.9	Very high	93.4	Very high	10 Å²	10	67.1 Å²	67.1	8%	0.083	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-0.7	172.8	0	0	0	0	0	113.5	F816 D817 P818 E819 F823 L860 L875 I879	F816-A821 HydrophobicContact CD2-CB 4.14Å; F816-A821 HydrophobicContact CE2-CB 4.23Å; D817-A821 PolarHBondContact O-N 3.28Å; P818-A821 PolarHBondContact O-N 2.95Å; E819-A821 PolarHBondContact O-N 2.89Å; A821-F823 HydrophobicContact CB-CD2 4.03Å; A821-F823 HydrophobicContact CB-CE2 4.41Å; A821-L860 HydrophobicContact CB-CD1 3.87Å; A821-L875 HydrophobicContact CB-CD2 3.86Å; A821-I879 HydrophobicContact CB-CD1 4.12Å; A821-I879 WeakPolarHBondContact O-CD1 3.39Å
822	G	92.4	Very high	93.1	Very high	68 Å²	68	67.9 Å²	67.9	70%	0.701	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.7	11.3	179.3	0	0	0	0	0	115.2	P818 E819 E820	P818-G822 PolarHBondContact O-N 3.3Å; E819-G822 PolarHBondContact O-N 3.31Å; E819-G822 VanDerWaalsContact O-N 3.11Å; E820-G822 VanDerWaalsContact C-N 3.3Å
823	F	94.9	Very high	92.7	Very high	21 Å²	21	61.6 Å²	61.6	9%	0.092	35%	0.345	C	S	.	.			trans	-108.7	155	179.2	-60.1	-68.7	0	0	0	112.1	L797 P818 E819 A821 E856 L859 L860 I879	L797-F823 HydrophobicContact CD2-CB 3.65Å; L797-F823 HydrophobicContact CD2-CD2 4Å; L797-F823 HydrophobicContact CD2-CG 3.91Å; P818-F823 CarbonylContact C-O 3.6Å; P818-F823 VanDerWaalsContact C-O 3.27Å; P818-F823 PolarHBondContact O-N 2.94Å; E819-F823 VanDerWaalsContact CA-O 3.24Å; E819-F823 WeakPolarHBondContact CA-O 3.18Å; E819-F823 PolarHBondContact N-O 3.43Å; A821-F823 HydrophobicContact CB-CD2 4.03Å; A821-F823 HydrophobicContact CB-CE2 4.41Å; F823-E856 HydrophobicContact CD1-CB 3.75Å; F823-E856 HydrophobicContact CD1-CG 3.83Å; F823-E856 HydrophobicContact CE1-CB 3.77Å; F823-E856 HydrophobicContact CE1-CG 3.85Å; F823-L859 HydrophobicContact CE1-CD1 4.42Å; F823-L859 HydrophobicContact CZ-CB 3.94Å; F823-L859 HydrophobicContact CZ-CD1 4.35Å; F823-L860 HydrophobicContact CD2-CD1 4.48Å; F823-L860 HydrophobicContact CE2-CB 4.09Å; F823-L860 HydrophobicContact CE2-CD1 4.26Å; F823-I879 HydrophobicContact CE2-CD1 3.66Å; F823-I879 HydrophobicContact CE2-CG1 4.28Å; F823-I879 HydrophobicContact CE2-CG2 4.44Å; F823-I879 HydrophobicContact CZ-CD1 4.24Å; F823-I879 HydrophobicContact CZ-CG2 3.93Å
824	K	93.5	Very high	92.3	Very high	175 Å²	175	55.5 Å²	55.5	76%	0.761	32%	0.318	S	S	*	.			trans	-82.7	150.8	171	-66.7	179.8	-178.1	175.4	0	109.6	V826	K824-V826 PolarHBondContact O-N 3.48Å
825	R	94.7	Very high	91.9	Very high	123 Å²	123	55.2 Å²	55.2	46%	0.464	32%	0.324	S	S	.	.			trans	-61	130.8	171.3	-74.6	-179.7	-162.9	-135.1	-5.7	111.2	L797 D817 P818 E819	L797-R825 CarbonylContact O-C 3.55Å; L797-R825 WeakPolarHBondContact O-CA 3.49Å; D817-R825 IonicContact OD1-NH2 3.58Å; D817-R825 IonicContact OD2-NH2 2.65Å; D817-R825 PolarHBondContact OD2-NH2 3.13Å; P818-R825 HydrophobicContact CG-CG 4.32Å; E819-R825 VanDerWaalsContact CD-NE 3.29Å; E819-R825 VanDerWaalsContact OE1-CD 3.29Å; E819-R825 WeakPolarHBondContact OE1-CD 3.28Å; E819-R825 VanDerWaalsContact OE1-CG 3.28Å; E819-R825 WeakPolarHBondContact OE1-CG 3.29Å; E819-R825 IonicContact OE1-CZ 2.65Å; E819-R825 IonicContact OE1-NE 3.74Å; E819-R825 PolarHBondContact OE1-NE 3.34Å; E819-R825 IonicContact OE1-NH2 3.43Å; E819-R825 IonicContact OE2-CZ 3.74Å; E819-R825 IonicContact OE2-NE 3.19Å; E819-R825 PolarHBondContact OE2-NE 3.47Å; E819-R825 VanDerWaalsContact OE2-NE 3.08Å; E819-R825 IonicContact OE2-NH2 2.81Å; E819-R825 PolarHBondContact OE2-NH2 3.42Å
826	V	92.2	Very high	91.5	Very high	33 Å²	33	53.1 Å²	53.1	20%	0.2	31%	0.31	C	S	.	.			trans	-128.1	127.4	174.8	-176.6	0	0	0	0	108.3	L797 A798 K824 A853	L797-V826 CarbonylContact C-O 3.5Å; L797-V826 HydrophobicContact CB-CB 3.96Å; L797-V826 HydrophobicContact CB-CG2 4.28Å; L797-V826 HydrophobicContact CD1-CB 4.35Å; L797-V826 HydrophobicContact CD1-CG2 4.01Å; L797-V826 PolarHBondContact O-N 3.43Å; A798-V826 VanDerWaalsContact CA-O 3.25Å; A798-V826 WeakPolarHBondContact CA-O 3.49Å; A798-V826 PolarHBondContact N-O 2.9Å; K824-V826 PolarHBondContact O-N 3.48Å; V826-A853 HydrophobicContact CG1-CB 3.99Å
827	P	91.6	Very high	91.2	Very high	94 Å²	94	57.5 Å²	57.5	61%	0.61	33%	0.331	S	S	*	.			trans	-56.9	149.9	175.3	-22.6	32.4	0	0	0	111.8	A829 G830	P827-A829 PolarHBondContact O-N 3.02Å; P827-G830 PolarHBondContact O-N 2.71Å
828	L	90.4	Very high	91	Very high	61 Å²	61	60.4 Å²	60.4	32%	0.319	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-53.5	-27.9	177.9	-66.4	177.1	0	0	0	113.4	M792 N796 A798 G830 I831	M792-L828 HydrophobicContact SD-CD2 4.02Å; N796-L828 HydrophobicContact CB-CD2 4.03Å; A798-L828 HydrophobicContact CB-CD2 3.8Å; A798-L828 HydrophobicContact CB-CG 3.81Å; L828-G830 PolarHBondContact O-N 3.12Å; L828-G830 VanDerWaalsContact O-N 3.11Å; L828-I831 HydrophobicContact CD2-CD1 4.11Å; L828-I831 WeakPolarHBondContact O-CG1 3.39Å; L828-I831 PolarHBondContact O-N 2.66Å; L828-I831 VanDerWaalsContact O-N 3.1Å
829	A	89.1	Confident	90.9	Very high	82 Å²	82	60.5 Å²	60.5	68%	0.678	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-55.4	-26.9	173.2	0	0	0	0	0	113.9	P827 I831 V832	P827-A829 PolarHBondContact O-N 3.02Å; A829-I831 VanDerWaalsContact C-N 3.31Å; A829-I831 PolarHBondContact O-N 3.35Å; A829-V832 WeakPolarHBondContact O-CG2 3.34Å
830	G	88.8	Confident	90.8	Very high	28 Å²	28	58.8 Å²	58.8	29%	0.289	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-72.9	-18.9	179.3	0	0	0	0	0	114.6	P827 L828 H854	P827-G830 PolarHBondContact O-N 2.71Å; L828-G830 PolarHBondContact O-N 3.12Å; L828-G830 VanDerWaalsContact O-N 3.11Å; G830-H854 PolarHBondContact O-CE1 3.15Å
831	I	91.3	Very high	91	Very high	6 Å²	6	57.5 Å²	57.5	3%	0.031	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-111.7	12.7	-177.7	61.5	169.4	0	0	0	112.9	S656 F657 I659 M792 N796 L828 A829 G833 A853 T857	S656-I831 WeakPolarHBondContact CA-O 3.46Å; F657-I831 HydrophobicContact CD1-CB 4.38Å; F657-I831 WeakPolarHBondContact CD1-O 3.4Å; F657-I831 HydrophobicContact CE1-CB 4.27Å; F657-I831 PolarHBondContact N-O 2.77Å; F657-I831 VanDerWaalsContact N-O 3.12Å; I659-I831 HydrophobicContact CD1-CD1 4.27Å; M792-I831 HydrophobicContact CE-CD1 3.81Å; M792-I831 HydrophobicContact SD-CD1 4.13Å; N796-I831 HydrophobicContact CB-CD1 4.05Å; L828-I831 HydrophobicContact CD2-CD1 4.11Å; L828-I831 WeakPolarHBondContact O-CG1 3.39Å; L828-I831 PolarHBondContact O-N 2.66Å; L828-I831 VanDerWaalsContact O-N 3.1Å; A829-I831 VanDerWaalsContact C-N 3.31Å; A829-I831 PolarHBondContact O-N 3.35Å; I831-G833 PolarHBondContact O-N 3.21Å; I831-A853 HydrophobicContact CG2-CB 4.3Å; I831-T857 HydrophobicContact CG2-CG2 4.43Å; I831-T857 VanDerWaalsContact CG2-OG1 3.3Å; I831-T857 WeakPolarHBondContact CG2-OG1 3.49Å
832	V	89.5	Confident	91.2	Very high	56 Å²	56	58 Å²	58	34%	0.339	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-64.9	130.4	-179.4	174.8	0	0	0	0	111.1	A829	A829-V832 WeakPolarHBondContact O-CG2 3.34Å
833	G	86.8	Confident	91.4	Very high	5 Å²	5	54.7 Å²	54.7	5%	0.052	30%	0.298	C	S	.	.			trans	-80.7	-154.1	176.2	0	0	0	0	0	113.7	H655 I831 K838 N839	H655-G833 PolarHBondContact O-N 3.04Å; I831-G833 PolarHBondContact O-N 3.21Å; G833-K838 PolarHBondContact O-NZ 3.17Å; G833-N839 WeakPolarHBondContact CA-OD1 3.49Å
834	G	86.2	Confident	91.5	Very high	7 Å²	7	54.8 Å²	54.8	7%	0.072	30%	0.299	C	S	.	.			trans	-168.6	-138	172.3	0	0	0	0	0	112.4	K685 N839	K685-G834 WeakPolarHBondContact CB-O 3.4Å; G834-N839 PolarHBondContact N-OD1 3.04Å
835	S	88.4	Confident	91.6	Very high	54 Å²	54	48 Å²	48	38%	0.378	27%	0.273	S	S	.	.	S	Bend	trans	-64.6	168.2	174.6	74.2	0	0	0	0	111.2	E837 K838 N839	S835-E837 VanDerWaalsContact CB-OE2 3.27Å; S835-E837 WeakPolarHBondContact CB-OE2 3.45Å; S835-E837 PolarHBondContact O-N 3.07Å; S835-E837 PolarHBondContact OG-N 2.7Å; S835-E837 PolarHBondContact OG-OE2 3.23Å; S835-K838 PolarHBondContact O-N 3.44Å; S835-K838 VanDerWaalsContact O-N 3.13Å; S835-K838 PolarHBondContact OG-N 3.33Å; S835-N839 PolarHBondContact O-N 2.84Å
836	A	87	Confident	91.7	Very high	14 Å²	14	42.1 Å²	42.1	12%	0.116	25%	0.251	C	S	.	.	H	α-helix	trans	-55.4	-36.3	174.9	0	0	0	0	0	112.2	D690 I691 V694 K840	D690-A836 HydrophobicContact CB-CB 4.22Å; I691-A836 HydrophobicContact CG1-CB 4.47Å; V694-A836 HydrophobicContact CB-CB 4.42Å; V694-A836 HydrophobicContact CG2-CB 3.66Å; A836-K840 VanDerWaalsContact O-CB 3.29Å; A836-K840 WeakPolarHBondContact O-CB 3.45Å; A836-K840 PolarHBondContact O-N 3.2Å
837	E	90.2	Very high	92	Very high	102 Å²	102	40.6 Å²	40.6	48%	0.477	24%	0.242	S	C	.	.	H	α-helix	trans	-66.8	-47.4	175.1	-59.8	71.6	-158	0	0	112	V694 S835 N839 K840 D841	V694-E837 HydrophobicContact CG1-CG 4.18Å; S835-E837 VanDerWaalsContact CB-OE2 3.27Å; S835-E837 WeakPolarHBondContact CB-OE2 3.45Å; S835-E837 PolarHBondContact O-N 3.07Å; S835-E837 PolarHBondContact OG-N 2.7Å; S835-E837 PolarHBondContact OG-OE2 3.23Å; E837-N839 VanDerWaalsContact C-N 3.31Å; E837-N839 PolarHBondContact O-N 2.84Å; E837-K840 WeakPolarHBondContact O-CB 3.41Å; E837-K840 PolarHBondContact O-N 3.34Å; E837-D841 PolarHBondContact O-N 3.47Å
838	K	92	Very high	92.2	Very high	99 Å²	99	43 Å²	43	43%	0.43	24%	0.239	S	C	.	.	H	α-helix	trans	-61.6	-43.4	178.1	-172.4	-168.7	175.2	-164.9	0	110.7	G833 S835 K840 D841 I842	G833-K838 PolarHBondContact O-NZ 3.17Å; S835-K838 PolarHBondContact O-N 3.44Å; S835-K838 VanDerWaalsContact O-N 3.13Å; S835-K838 PolarHBondContact OG-N 3.33Å; K838-K840 VanDerWaalsContact C-N 3.33Å; K838-D841 PolarHBondContact O-N 3.19Å; K838-I842 HydrophobicContact CG-CD1 4.32Å; K838-I842 WeakPolarHBondContact O-CG1 3.45Å; K838-I842 PolarHBondContact O-N 3.08Å
839	N	92	Very high	92.4	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-72.4	-28.5	179.5	-73.7	-1.9	0	0	0	112.3	N658 S686 I691 G833 G834 S835 E837 I842 L843	N658-N839 PolarHBondContact OD1-ND2 2.96Å; S686-N839 PolarHBondContact OG-ND2 3.4Å; I691-N839 HydrophobicContact CD1-CB 3.29Å; I691-N839 HydrophobicContact CG1-CB 3.9Å; G833-N839 WeakPolarHBondContact CA-OD1 3.49Å; G834-N839 PolarHBondContact N-OD1 3.04Å; S835-N839 PolarHBondContact O-N 2.84Å; E837-N839 VanDerWaalsContact C-N 3.31Å; E837-N839 PolarHBondContact O-N 2.84Å; N839-I842 PolarHBondContact O-N 3.05Å; N839-L843 VanDerWaalsContact O-CB 3.3Å; N839-L843 WeakPolarHBondContact O-CB 3.15Å; N839-L843 PolarHBondContact O-N 3.05Å
840	K	94.1	Very high	92.8	Very high	59 Å²	59	40.8 Å²	40.8	26%	0.257	22%	0.219	S	C	.	.	H	α-helix	trans	-60	-45.7	165.7	162.1	176.7	175.9	178.6	0	111.3	I691 V694 L695 A836 E837 K838 L843 L844	I691-K840 HydrophobicContact CG2-CB 4.42Å; V694-K840 HydrophobicContact CG1-CD 3.66Å; V694-K840 PolarHBondContact O-NZ 3.42Å; L695-K840 HydrophobicContact CD2-CD 3.9Å; L695-K840 HydrophobicContact CD2-CG 3.76Å; L695-K840 HydrophobicContact CG-CD 4.29Å; L695-K840 HydrophobicContact CG-CG 4.27Å; A836-K840 VanDerWaalsContact O-CB 3.29Å; A836-K840 WeakPolarHBondContact O-CB 3.45Å; A836-K840 PolarHBondContact O-N 3.2Å; E837-K840 WeakPolarHBondContact O-CB 3.41Å; E837-K840 PolarHBondContact O-N 3.34Å; K838-K840 VanDerWaalsContact C-N 3.33Å; K840-L843 PolarHBondContact O-N 3.13Å; K840-L844 HydrophobicContact CG-CD1 3.87Å; K840-L844 HydrophobicContact CG-CG 4.41Å; K840-L844 WeakPolarHBondContact O-CB 3.41Å; K840-L844 VanDerWaalsContact O-CG 3.28Å; K840-L844 WeakPolarHBondContact O-CG 3.18Å; K840-L844 PolarHBondContact O-N 3.18Å
841	D	95	Very high	93	Very high	108 Å²	108	44.7 Å²	44.7	58%	0.578	24%	0.239	S	C	*	.	H	α-helix	trans	-63.5	-42.2	178.3	-68.5	-23.5	0	0	0	111.5	E837 K838 L844 S845	E837-D841 PolarHBondContact O-N 3.47Å; K838-D841 PolarHBondContact O-N 3.19Å; D841-L844 PolarHBondContact O-N 3.47Å; D841-S845 WeakPolarHBondContact O-CB 3.22Å; D841-S845 PolarHBondContact O-N 3.08Å
842	I	95.3	Very high	93.2	Very high	19 Å²	19	46.1 Å²	46.1	10%	0.097	25%	0.25	C	C	.	.	H	α-helix	trans	-60.2	-49.2	173.7	-66.4	166.1	0	0	0	110.5	F657 K838 N839 L844 S845 V846 H854	F657-I842 HydrophobicContact CB-CD1 4.1Å; F657-I842 HydrophobicContact CB-CG2 4.35Å; F657-I842 HydrophobicContact CD2-CB 4.48Å; F657-I842 HydrophobicContact CD2-CG2 3.45Å; F657-I842 VanDerWaalsContact CD2-CG2 3.45Å; F657-I842 HydrophobicContact CE2-CG2 3.8Å; F657-I842 HydrophobicContact CG-CG2 3.96Å; K838-I842 HydrophobicContact CG-CD1 4.32Å; K838-I842 WeakPolarHBondContact O-CG1 3.45Å; K838-I842 PolarHBondContact O-N 3.08Å; N839-I842 PolarHBondContact O-N 3.05Å; I842-L844 PolarHBondContact O-N 3.38Å; I842-S845 WeakPolarHBondContact O-CB 3.3Å; I842-S845 PolarHBondContact O-N 3.49Å; I842-V846 HydrophobicContact CG2-CG2 4.43Å; I842-V846 WeakPolarHBondContact O-CG2 3.32Å; I842-V846 PolarHBondContact O-N 3.48Å; I842-H854 HydrophobicContact CG2-CB 3.7Å
843	L	96.2	Very high	93.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-57.8	-49	179	-179	155.4	0	0	0	111	T662 F665 I691 L695 N839 K840 S845 V846 L847 L895	T662-L843 HydrophobicContact CG2-CG 4.12Å; F665-L843 HydrophobicContact CD2-CD1 4.32Å; F665-L843 HydrophobicContact CE2-CD1 4.22Å; I691-L843 HydrophobicContact CG2-CD1 4.24Å; L695-L843 HydrophobicContact CD1-CD1 4.26Å; L695-L843 HydrophobicContact CD1-CD2 4.27Å; N839-L843 VanDerWaalsContact O-CB 3.3Å; N839-L843 WeakPolarHBondContact O-CB 3.15Å; N839-L843 PolarHBondContact O-N 3.05Å; K840-L843 PolarHBondContact O-N 3.13Å; L843-S845 VanDerWaalsContact C-N 3.32Å; L843-S845 PolarHBondContact O-N 3.26Å; L843-V846 PolarHBondContact O-N 3.42Å; L843-L847 HydrophobicContact CD2-CD1 3.56Å; L843-L847 HydrophobicContact CD2-CG 4.13Å; L843-L847 HydrophobicContact CG-CD1 4.39Å; L843-L847 WeakPolarHBondContact O-CG 3.21Å; L843-L847 PolarHBondContact O-N 2.89Å; L843-L895 HydrophobicContact CD2-CD2 3.87Å
844	L	96.7	Very high	93.9	Very high	23 Å²	23	46 Å²	46	12%	0.12	25%	0.248	C	C	.	.	H	α-helix	trans	-64.4	-36.6	178.4	-67.5	172	0	0	0	112	L695 K840 D841 I842 R848 Y892 L895	L695-L844 HydrophobicContact CD2-CD2 4.33Å; K840-L844 HydrophobicContact CG-CD1 3.87Å; K840-L844 HydrophobicContact CG-CG 4.41Å; K840-L844 WeakPolarHBondContact O-CB 3.41Å; K840-L844 VanDerWaalsContact O-CG 3.28Å; K840-L844 WeakPolarHBondContact O-CG 3.18Å; K840-L844 PolarHBondContact O-N 3.18Å; D841-L844 PolarHBondContact O-N 3.47Å; I842-L844 PolarHBondContact O-N 3.38Å; L844-R848 WeakPolarHBondContact O-CB 3.49Å; L844-R848 WeakPolarHBondContact O-CD 3.37Å; L844-R848 WeakPolarHBondContact O-CG 3.39Å; L844-R848 PolarHBondContact O-N 3.31Å; L844-R848 VanDerWaalsContact O-N 3.12Å; L844-Y892 HydrophobicContact CD2-CE2 3.83Å; L844-L895 HydrophobicContact CD2-CD2 3.74Å
845	S	96.8	Very high	94.4	Very high	31 Å²	31	46.3 Å²	46.3	22%	0.217	25%	0.247	C	C	.	.	H	α-helix	trans	-61.7	-47.2	174.8	-178.7	0	0	0	0	111.2	D841 I842 L843 R848 G849 I850	D841-S845 WeakPolarHBondContact O-CB 3.22Å; D841-S845 PolarHBondContact O-N 3.08Å; I842-S845 WeakPolarHBondContact O-CB 3.3Å; I842-S845 PolarHBondContact O-N 3.49Å; L843-S845 VanDerWaalsContact C-N 3.32Å; L843-S845 PolarHBondContact O-N 3.26Å; S845-R848 PolarHBondContact O-N 2.79Å; S845-G849 PolarHBondContact O-N 3.05Å; S845-I850 WeakPolarHBondContact O-CB 3.44Å; S845-I850 WeakPolarHBondContact O-CG1 3.4Å; S845-I850 PolarHBondContact O-N 3.34Å; S845-I850 WeakPolarHBondContact OG-CB 3.23Å
846	V	97.2	Very high	94.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.3	-49.3	178	172.9	0	0	0	0	111.2	T662 I842 L843 R848 G849 H854 Y855 V858 I886	T662-V846 HydrophobicContact CG2-CB 4.01Å; T662-V846 HydrophobicContact CG2-CG1 3.83Å; I842-V846 HydrophobicContact CG2-CG2 4.43Å; I842-V846 WeakPolarHBondContact O-CG2 3.32Å; I842-V846 PolarHBondContact O-N 3.48Å; L843-V846 PolarHBondContact O-N 3.42Å; V846-R848 PolarHBondContact O-N 3.46Å; V846-R848 VanDerWaalsContact O-N 3.16Å; V846-G849 PolarHBondContact O-N 3.03Å; V846-H854 HydrophobicContact CG2-CB 3.96Å; V846-Y855 HydrophobicContact CG1-CD2 4.3Å; V846-V858 HydrophobicContact CG1-CB 3.82Å; V846-V858 HydrophobicContact CG1-CG1 3.76Å; V846-V858 HydrophobicContact CG1-CG2 4.04Å; V846-I886 HydrophobicContact CG1-CD1 4.22Å; V846-I886 WeakPolarHBondContact O-CG2 2.99Å
847	L	97.2	Very high	95.3	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-65.8	-18.4	-179	-64.3	-172.6	0	0	0	113.5	T662 F665 V666 L843 G849 A891 Y892 L895	T662-L847 HydrophobicContact CG2-CD2 4.4Å; F665-L847 HydrophobicContact CB-CD1 3.97Å; F665-L847 HydrophobicContact CB-CD2 3.95Å; F665-L847 HydrophobicContact CD2-CD1 4.4Å; F665-L847 HydrophobicContact CG-CD1 4.23Å; V666-L847 HydrophobicContact CG2-CD2 3.89Å; L843-L847 HydrophobicContact CD2-CD1 3.56Å; L843-L847 HydrophobicContact CD2-CG 4.13Å; L843-L847 HydrophobicContact CG-CD1 4.39Å; L843-L847 WeakPolarHBondContact O-CG 3.21Å; L843-L847 PolarHBondContact O-N 2.89Å; L847-G849 VanDerWaalsContact C-N 3.34Å; L847-A891 HydrophobicContact CD2-CB 3.86Å; L847-Y892 HydrophobicContact CB-CD2 4.05Å; L847-L895 HydrophobicContact CD1-CB 4.21Å; L847-L895 HydrophobicContact CD1-CD2 4.03Å
848	R	96.3	Very high	95.6	Very high	144 Å²	144	41.3 Å²	41.3	54%	0.543	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	5.5	172.5	-70.7	172.6	-178.6	161.6	1.8	113.4	L844 S845 V846 I850 Y892	L844-R848 WeakPolarHBondContact O-CB 3.49Å; L844-R848 WeakPolarHBondContact O-CD 3.37Å; L844-R848 WeakPolarHBondContact O-CG 3.39Å; L844-R848 PolarHBondContact O-N 3.31Å; L844-R848 VanDerWaalsContact O-N 3.12Å; S845-R848 PolarHBondContact O-N 2.79Å; V846-R848 PolarHBondContact O-N 3.46Å; V846-R848 VanDerWaalsContact O-N 3.16Å; R848-I850 HydrophobicContact CB-CG1 4.35Å; R848-Y892 HydrophobicContact CG-CD2 4.12Å; R848-Y892 HydrophobicContact CG-CE2 4.19Å; R848-Y892 PolarHBondContact NH2-OH 3.43Å
849	G	95.5	Very high	95.9	Very high	15 Å²	15	36.8 Å²	36.8	16%	0.155	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	27.1	177.1	0	0	0	0	0	114.4	S845 V846 L847 P851 I886	S845-G849 PolarHBondContact O-N 3.05Å; V846-G849 PolarHBondContact O-N 3.03Å; L847-G849 VanDerWaalsContact C-N 3.34Å; G849-P851 VanDerWaalsContact O-CD 3.26Å; G849-P851 WeakPolarHBondContact O-CD 3.43Å; G849-I886 VanDerWaalsContact CA-CG2 3.49Å
850	I	95.8	Very high	96.2	Very high	83 Å²	83	36.7 Å²	36.7	43%	0.426	20%	0.195	S	C	.	.			trans	-79.3	114.9	177.7	-55.7	-178.2	0	0	0	109.1	S845 R848 S852 Y855	S845-I850 WeakPolarHBondContact O-CB 3.44Å; S845-I850 WeakPolarHBondContact O-CG1 3.4Å; S845-I850 PolarHBondContact O-N 3.34Å; S845-I850 WeakPolarHBondContact OG-CB 3.23Å; R848-I850 HydrophobicContact CB-CG1 4.35Å; I850-S852 PolarHBondContact O-N 2.88Å; I850-S852 PolarHBondContact O-OG 3.1Å; I850-Y855 WeakPolarHBondContact O-CB 3.21Å
851	P	93.9	Very high	96.3	Very high	110 Å²	110	34.1 Å²	34.1	71%	0.714	18%	0.184	S	C	*	.			trans	-61.8	131.5	-177	-23.7	35.5	0	0	0	112.4	G849	G849-P851 VanDerWaalsContact O-CD 3.26Å; G849-P851 WeakPolarHBondContact O-CD 3.43Å
852	S	95.3	Very high	96.5	Very high	36 Å²	36	29 Å²	29	25%	0.252	16%	0.157	S	C	.	.	S	Bend	trans	-168.9	167.6	-179.8	55.8	0	0	0	0	109.9	I850 H854 Y855 E856	I850-S852 PolarHBondContact O-N 2.88Å; I850-S852 PolarHBondContact O-OG 3.1Å; S852-H854 PolarHBondContact O-N 3.09Å; S852-Y855 WeakPolarHBondContact O-CB 3.3Å; S852-Y855 PolarHBondContact O-N 2.85Å; S852-Y855 VanDerWaalsContact O-N 3.07Å; S852-Y855 WeakPolarHBondContact OG-CB 3Å; S852-Y855 PolarHBondContact OG-N 3Å; S852-Y855 VanDerWaalsContact OG-N 3.11Å; S852-E856 PolarHBondContact O-N 3.38Å
853	A	94.4	Very high	96.6	Very high	23 Å²	23	28.1 Å²	28.1	19%	0.19	15%	0.152	C	C	.	.	H	α-helix	trans	-59.5	-33	171.4	0	0	0	0	0	112	V826 I831 T857	V826-A853 HydrophobicContact CG1-CB 3.99Å; I831-A853 HydrophobicContact CG2-CB 4.3Å; A853-T857 VanDerWaalsContact O-CB 3.31Å; A853-T857 WeakPolarHBondContact O-CB 3.37Å; A853-T857 PolarHBondContact O-N 2.89Å; A853-T857 PolarHBondContact O-OG1 3.39Å
854	H	96.1	Very high	96.7	Very high	35 Å²	35	28.1 Å²	28.1	16%	0.162	15%	0.152	C	C	.	.	H	α-helix	trans	-62.9	-43.1	172.8	-53.9	93.9	0	0	0	111.8	F657 G830 I842 V846 S852 V858	F657-H854 AromaticContact CD1-CD2 3.46Å; F657-H854 VanDerWaalsContact CD1-CD2 3.46Å; F657-H854 WeakPolarHBondContact CD1-CD2 3.42Å; F657-H854 HydrophobicContact CE1-CB 4Å; F657-H854 AromaticContact CE1-CD2 3.57Å; F657-H854 HydrophobicContact CE2-CB 4.18Å; F657-H854 AromaticContact CG-CD2 3.82Å; F657-H854 HydrophobicContact CZ-CB 3.72Å; F657-H854 WeakPolarHBondContact CZ-O 3.36Å; G830-H854 PolarHBondContact O-CE1 3.15Å; I842-H854 HydrophobicContact CG2-CB 3.7Å; V846-H854 HydrophobicContact CG2-CB 3.96Å; S852-H854 PolarHBondContact O-N 3.09Å; H854-V858 WeakPolarHBondContact O-CG2 3.48Å; H854-V858 PolarHBondContact O-N 3.06Å
855	Y	97.3	Very high	96.7	Very high	13 Å²	13	27 Å²	27	5%	0.051	15%	0.146	C	C	.	.	H	α-helix	trans	-62.1	-51.2	176.8	172.1	-93.4	0	0	0	111.5	V846 I850 S852 T857 V858 L859 E883 I886	V846-Y855 HydrophobicContact CG1-CD2 4.3Å; I850-Y855 WeakPolarHBondContact O-CB 3.21Å; S852-Y855 WeakPolarHBondContact O-CB 3.3Å; S852-Y855 PolarHBondContact O-N 2.85Å; S852-Y855 VanDerWaalsContact O-N 3.07Å; S852-Y855 WeakPolarHBondContact OG-CB 3Å; S852-Y855 PolarHBondContact OG-N 3Å; S852-Y855 VanDerWaalsContact OG-N 3.11Å; Y855-T857 VanDerWaalsContact C-N 3.34Å; Y855-T857 PolarHBondContact O-N 3.05Å; Y855-V858 PolarHBondContact O-N 3.1Å; Y855-V858 VanDerWaalsContact O-N 3.16Å; Y855-L859 HydrophobicContact CD1-CD1 3.99Å; Y855-L859 HydrophobicContact CD1-CG 4.33Å; Y855-L859 HydrophobicContact CE1-CD1 3.35Å; Y855-L859 HydrophobicContact CE1-CG 3.98Å; Y855-L859 WeakPolarHBondContact O-CG 3.41Å; Y855-L859 PolarHBondContact O-N 3.37Å; Y855-E883 WeakPolarHBondContact OH-CG 3.31Å; Y855-E883 PolarHBondContact OH-OE1 3.3Å; Y855-I886 HydrophobicContact CD2-CD1 4.22Å; Y855-I886 HydrophobicContact CE2-CB 4.47Å; Y855-I886 HydrophobicContact CE2-CD1 3.82Å; Y855-I886 HydrophobicContact CE2-CG2 3.95Å
856	E	97	Very high	96.7	Very high	66 Å²	66	25.5 Å²	25.5	31%	0.308	14%	0.136	S	C	.	.	H	α-helix	trans	-62.6	-39.3	179.3	-67.6	178.2	162.4	0	0	112.1	L797 F823 S852 V858 L859 L860	L797-E856 HydrophobicContact CD1-CB 3.78Å; F823-E856 HydrophobicContact CD1-CB 3.75Å; F823-E856 HydrophobicContact CD1-CG 3.83Å; F823-E856 HydrophobicContact CE1-CB 3.77Å; F823-E856 HydrophobicContact CE1-CG 3.85Å; S852-E856 PolarHBondContact O-N 3.38Å; E856-V858 VanDerWaalsContact C-N 3.34Å; E856-V858 PolarHBondContact O-N 3.02Å; E856-L859 WeakPolarHBondContact O-CB 3.42Å; E856-L859 PolarHBondContact O-N 3.41Å; E856-L860 PolarHBondContact O-N 3.5Å
857	T	96.9	Very high	96.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.9	-36.3	176.2	-56.7	0	0	0	0	112	I659 I831 A853 Y855 L860 N861	I659-T857 HydrophobicContact CD1-CG2 3.7Å; I659-T857 HydrophobicContact CG1-CG2 4.1Å; I659-T857 HydrophobicContact CG2-CG2 4.36Å; I831-T857 HydrophobicContact CG2-CG2 4.43Å; I831-T857 VanDerWaalsContact CG2-OG1 3.3Å; I831-T857 WeakPolarHBondContact CG2-OG1 3.49Å; A853-T857 VanDerWaalsContact O-CB 3.31Å; A853-T857 WeakPolarHBondContact O-CB 3.37Å; A853-T857 PolarHBondContact O-N 2.89Å; A853-T857 PolarHBondContact O-OG1 3.39Å; Y855-T857 VanDerWaalsContact C-N 3.34Å; Y855-T857 PolarHBondContact O-N 3.05Å; T857-L860 PolarHBondContact O-N 3.39Å; T857-N861 PolarHBondContact O-N 3.47Å; T857-N861 VanDerWaalsContact O-N 3.12Å; T857-N861 PolarHBondContact O-ND2 2.82Å
858	V	97.5	Very high	96.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-69.7	-40.8	173.5	165.9	0	0	0	0	111.3	F657 T662 A663 V666 V846 H854 Y855 E856 L860 N861 A862	F657-V858 HydrophobicContact CE2-CG2 3.79Å; F657-V858 HydrophobicContact CZ-CG2 3.68Å; T662-V858 HydrophobicContact CG2-CG1 4.13Å; T662-V858 HydrophobicContact CG2-CG2 3.73Å; A663-V858 HydrophobicContact CB-CG1 4.46Å; V666-V858 HydrophobicContact CG2-CG1 3.82Å; V846-V858 HydrophobicContact CG1-CB 3.82Å; V846-V858 HydrophobicContact CG1-CG1 3.76Å; V846-V858 HydrophobicContact CG1-CG2 4.04Å; H854-V858 WeakPolarHBondContact O-CG2 3.48Å; H854-V858 PolarHBondContact O-N 3.06Å; Y855-V858 PolarHBondContact O-N 3.1Å; Y855-V858 VanDerWaalsContact O-N 3.16Å; E856-V858 VanDerWaalsContact C-N 3.34Å; E856-V858 PolarHBondContact O-N 3.02Å; V858-L860 VanDerWaalsContact C-N 3.27Å; V858-L860 PolarHBondContact O-N 3.39Å; V858-N861 PolarHBondContact O-N 2.94Å; V858-A862 WeakPolarHBondContact O-CB 3.29Å; V858-A862 PolarHBondContact O-N 2.93Å
859	L	97.9	Very high	96.6	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.021	12%	0.119	C	C	.	.	H	α-helix	trans	-57.7	-42.7	173.7	-72.6	-173.4	0	0	0	111.5	F823 Y855 E856 G863 I879 A882 E883 I886	F823-L859 HydrophobicContact CE1-CD1 4.42Å; F823-L859 HydrophobicContact CZ-CB 3.94Å; F823-L859 HydrophobicContact CZ-CD1 4.35Å; Y855-L859 HydrophobicContact CD1-CD1 3.99Å; Y855-L859 HydrophobicContact CD1-CG 4.33Å; Y855-L859 HydrophobicContact CE1-CD1 3.35Å; Y855-L859 HydrophobicContact CE1-CG 3.98Å; Y855-L859 WeakPolarHBondContact O-CG 3.41Å; Y855-L859 PolarHBondContact O-N 3.37Å; E856-L859 WeakPolarHBondContact O-CB 3.42Å; E856-L859 PolarHBondContact O-N 3.41Å; L859-G863 WeakPolarHBondContact O-CA 3.34Å; L859-G863 PolarHBondContact O-N 2.98Å; L859-I879 HydrophobicContact CB-CG2 4.37Å; L859-A882 HydrophobicContact CD2-CB 3.84Å; L859-E883 HydrophobicContact CD1-CB 4.34Å; L859-E883 HydrophobicContact CD2-CB 3.89Å; L859-I886 HydrophobicContact CD2-CD1 3.82Å
860	L	97.5	Very high	96.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62	-50.8	178	-177.9	62.4	0	0	0	112.1	A795 L797 F816 A821 F823 E856 T857 V858 G863 L864 L875 I879	A795-L860 HydrophobicContact CB-CD2 3.84Å; A795-L860 HydrophobicContact CB-CG 4.04Å; L797-L860 HydrophobicContact CD2-CD2 4.01Å; F816-L860 HydrophobicContact CE2-CD1 3.68Å; F816-L860 HydrophobicContact CE2-CD2 4.22Å; F816-L860 HydrophobicContact CE2-CG 4.43Å; F816-L860 HydrophobicContact CZ-CD1 3.93Å; F816-L860 HydrophobicContact CZ-CD2 4.49Å; F816-L860 HydrophobicContact CZ-CG 4.48Å; A821-L860 HydrophobicContact CB-CD1 3.87Å; F823-L860 HydrophobicContact CD2-CD1 4.48Å; F823-L860 HydrophobicContact CE2-CB 4.09Å; F823-L860 HydrophobicContact CE2-CD1 4.26Å; E856-L860 PolarHBondContact O-N 3.5Å; T857-L860 PolarHBondContact O-N 3.39Å; V858-L860 VanDerWaalsContact C-N 3.27Å; V858-L860 PolarHBondContact O-N 3.39Å; L860-G863 PolarHBondContact O-N 3.28Å; L860-L864 PolarHBondContact O-N 3.18Å; L860-L875 HydrophobicContact CD1-CD1 4.25Å; L860-L875 HydrophobicContact CD1-CD2 4.01Å; L860-I879 HydrophobicContact CD1-CD1 4.38Å
861	N	97.7	Very high	96.3	Very high	6 Å²	6	23 Å²	23	3%	0.032	13%	0.131	C	C	.	.	H	α-helix	trans	-70.1	-38.3	-179	-76.5	-88.5	0	0	0	112.6	I659 A663 L759 A795 T857 V858 G863 G865	I659-N861 HydrophobicContact CG2-CB 3.89Å; I659-N861 WeakPolarHBondContact CG2-ND2 3.49Å; A663-N861 HydrophobicContact CB-CB 4.41Å; L759-N861 VanDerWaalsContact CD2-O 3.3Å; L759-N861 WeakPolarHBondContact CD2-O 3.44Å; A795-N861 PolarHBondContact N-OD1 2.88Å; A795-N861 PolarHBondContact O-ND2 3.22Å; T857-N861 PolarHBondContact O-N 3.47Å; T857-N861 VanDerWaalsContact O-N 3.12Å; T857-N861 PolarHBondContact O-ND2 2.82Å; V858-N861 PolarHBondContact O-N 2.94Å; N861-G863 VanDerWaalsContact C-N 3.35Å; N861-G865 PolarHBondContact O-N 3.38Å
862	A	97.9	Very high	96.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-68	-36.2	173.7	0	0	0	0	0	111.3	A663 V666 L667 V858 G865 F866 A882	A663-A862 HydrophobicContact CB-CB 4.21Å; V666-A862 HydrophobicContact CB-CB 4.01Å; V666-A862 HydrophobicContact CG1-CB 3.76Å; L667-A862 WeakPolarHBondContact CD2-O 3.37Å; V858-A862 WeakPolarHBondContact O-CB 3.29Å; V858-A862 PolarHBondContact O-N 2.93Å; A862-G865 CarbonylContact O-C 3.59Å; A862-G865 WeakPolarHBondContact O-CA 3.44Å; A862-G865 PolarHBondContact O-N 2.87Å; A862-F866 WeakPolarHBondContact O-CD2 3.38Å; A862-F866 PolarHBondContact O-N 3.39Å; A862-A882 HydrophobicContact CB-CB 3.68Å
863	G	97.7	Very high	96.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.6	-43.8	174.6	0	0	0	0	0	112.7	L859 L860 N861 G865 F866 M867 G878	L859-G863 WeakPolarHBondContact O-CA 3.34Å; L859-G863 PolarHBondContact O-N 2.98Å; L860-G863 PolarHBondContact O-N 3.28Å; N861-G863 VanDerWaalsContact C-N 3.35Å; G863-G865 PolarHBondContact O-N 3.15Å; G863-F866 PolarHBondContact O-N 3.33Å; G863-M867 PolarHBondContact O-N 3.44Å; G863-G878 WeakPolarHBondContact CA-O 3.49Å
864	L	97.5	Very high	96.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.2	-36.3	168.5	-72.8	166.5	0	0	0	111.8	L759 I786 A795 F814 F816 L860 M867 A868 L875	L759-L864 HydrophobicContact CD1-CB 4.01Å; L759-L864 HydrophobicContact CD2-CB 4.28Å; I786-L864 HydrophobicContact CG2-CD1 4.22Å; A795-L864 HydrophobicContact CB-CD1 3.62Å; F814-L864 HydrophobicContact CZ-CD2 4.19Å; F816-L864 HydrophobicContact CE1-CD1 4.4Å; F816-L864 HydrophobicContact CE1-CD2 4.21Å; F816-L864 HydrophobicContact CZ-CD1 4.14Å; L860-L864 PolarHBondContact O-N 3.18Å; L864-M867 PolarHBondContact O-N 3.26Å; L864-A868 WeakPolarHBondContact O-CB 3.21Å; L864-A868 PolarHBondContact O-N 2.86Å; L864-L875 HydrophobicContact CD2-CD1 3.87Å; L864-L875 HydrophobicContact CG-CD1 3.76Å
865	G	97.5	Very high	96.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.1	-44.1	175.4	0	0	0	0	0	113.3	N861 A862 G863 M867 A868 S869	N861-G865 PolarHBondContact O-N 3.38Å; A862-G865 CarbonylContact O-C 3.59Å; A862-G865 WeakPolarHBondContact O-CA 3.44Å; A862-G865 PolarHBondContact O-N 2.87Å; G863-G865 PolarHBondContact O-N 3.15Å; G865-M867 VanDerWaalsContact C-N 3.31Å; G865-M867 PolarHBondContact O-N 2.8Å; G865-A868 PolarHBondContact O-N 3.48Å; G865-S869 PolarHBondContact O-N 3.05Å
866	F	97.9	Very high	96.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.1	-40.5	173.4	-77.3	-65.1	0	0	0	111.5	V666 L667 I672 A862 G863 S869 R871 V872 G878 E881 A882	V666-F866 HydrophobicContact CG1-CE2 4.38Å; L667-F866 HydrophobicContact CD2-CD1 4.1Å; L667-F866 HydrophobicContact CD2-CD2 3.89Å; L667-F866 HydrophobicContact CD2-CE1 4.18Å; L667-F866 HydrophobicContact CD2-CE2 3.92Å; L667-F866 HydrophobicContact CD2-CG 3.96Å; L667-F866 HydrophobicContact CD2-CZ 4.09Å; I672-F866 HydrophobicContact CD1-CD1 3.54Å; I672-F866 HydrophobicContact CD1-CE1 3.68Å; I672-F866 HydrophobicContact CD1-CG 4.49Å; I672-F866 HydrophobicContact CG1-CE1 4.38Å; A862-F866 WeakPolarHBondContact O-CD2 3.38Å; A862-F866 PolarHBondContact O-N 3.39Å; G863-F866 PolarHBondContact O-N 3.33Å; F866-S869 PolarHBondContact O-N 3.49Å; F866-S869 PolarHBondContact O-OG 3.44Å; F866-R871 PolarHBondContact O-N 3.36Å; F866-V872 HydrophobicContact CB-CG2 3.93Å; F866-G878 WeakPolarHBondContact CD2-O 3.43Å; F866-E881 HydrophobicContact CD1-CB 4.25Å; F866-E881 HydrophobicContact CD2-CB 3.92Å; F866-E881 HydrophobicContact CE1-CB 4.38Å; F866-E881 HydrophobicContact CE2-CB 4.1Å; F866-E881 HydrophobicContact CG-CB 4.02Å; F866-E881 HydrophobicContact CZ-CB 4.31Å; F866-A882 HydrophobicContact CD2-CB 4.06Å; F866-A882 HydrophobicContact CE2-CB 3.82Å
867	M	96	Very high	96.1	Very high	23 Å²	23	30.7 Å²	30.7	11%	0.113	16%	0.163	C	C	.	.	H	α-helix	trans	-63.9	-43.2	174.2	-173.3	-179.4	169.8	0	0	111.5	R782 I784 F814 G863 L864 G865 S869 G870 V872	R782-M867 PolarHBondContact NE-O 3.21Å; R782-M867 PolarHBondContact NH1-O 3.16Å; R782-M867 VanDerWaalsContact NH1-O 3.15Å; R782-M867 PolarHBondContact NH2-O 3.37Å; I784-M867 HydrophobicContact CD1-CB 4.14Å; I784-M867 HydrophobicContact CD1-CG 3.97Å; I784-M867 HydrophobicContact CD1-SD 4.21Å; F814-M867 HydrophobicContact CE1-CE 4.46Å; F814-M867 HydrophobicContact CZ-CE 4.42Å; G863-M867 PolarHBondContact O-N 3.44Å; L864-M867 PolarHBondContact O-N 3.26Å; G865-M867 VanDerWaalsContact C-N 3.31Å; G865-M867 PolarHBondContact O-N 2.8Å; M867-S869 VanDerWaalsContact C-N 3.28Å; M867-S869 PolarHBondContact O-N 2.77Å; M867-G870 PolarHBondContact O-N 3.12Å; M867-G870 VanDerWaalsContact O-N 3.12Å; M867-V872 HydrophobicContact CB-CG2 4.13Å
868	A	96.2	Very high	96.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.9	-35.1	176.7	0	0	0	0	0	112.3	M644 L759 R782 I784 L864 G865 G870	M644-A868 HydrophobicContact CE-CB 3.79Å; L759-A868 HydrophobicContact CB-CB 4.38Å; R782-A868 WeakPolarHBondContact CB-O 3.5Å; R782-A868 WeakPolarHBondContact CD-O 3.13Å; R782-A868 VanDerWaalsContact CG-O 3.28Å; R782-A868 WeakPolarHBondContact CG-O 3.5Å; I784-A868 HydrophobicContact CB-CB 4.1Å; I784-A868 HydrophobicContact CD1-CB 3.85Å; I784-A868 HydrophobicContact CG1-CB 3.7Å; L864-A868 WeakPolarHBondContact O-CB 3.21Å; L864-A868 PolarHBondContact O-N 2.86Å; G865-A868 PolarHBondContact O-N 3.48Å; A868-G870 PolarHBondContact O-N 2.92Å
869	S	95.1	Very high	96.1	Very high	10 Å²	10	31.6 Å²	31.6	7%	0.07	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-7	176.3	76.7	0	0	0	0	115	I672 Y757 G865 F866 M867 R871	I672-S869 WeakPolarHBondContact CD1-OG 3.45Å; Y757-S869 WeakPolarHBondContact CE2-O 3.44Å; G865-S869 PolarHBondContact O-N 3.05Å; F866-S869 PolarHBondContact O-N 3.49Å; F866-S869 PolarHBondContact O-OG 3.44Å; M867-S869 VanDerWaalsContact C-N 3.28Å; M867-S869 PolarHBondContact O-N 2.77Å; S869-R871 PolarHBondContact O-N 2.91Å; S869-R871 WeakPolarHBondContact OG-CB 3.46Å; S869-R871 PolarHBondContact OG-N 3.37Å
870	G	92.2	Very high	96.1	Very high	39 Å²	39	34 Å²	34	40%	0.402	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	78	-7.7	-175.8	0	0	0	0	0	115.5	M867 A868 V872	M867-G870 PolarHBondContact O-N 3.12Å; M867-G870 VanDerWaalsContact O-N 3.12Å; A868-G870 PolarHBondContact O-N 2.92Å; G870-V872 PolarHBondContact O-N 3.4Å
871	R	93	Very high	96.1	Very high	118 Å²	118	36.5 Å²	36.5	45%	0.445	20%	0.199	S	C	.	.	S	Bend	trans	-61	-33.5	179.8	-173.6	170.3	174	150.1	-13.4	113.5	G670 F866 S869 E881	G670-R871 PolarHBondContact O-NH1 3.31Å; G670-R871 PolarHBondContact O-NH2 2.83Å; F866-R871 PolarHBondContact O-N 3.36Å; S869-R871 PolarHBondContact O-N 2.91Å; S869-R871 WeakPolarHBondContact OG-CB 3.46Å; S869-R871 PolarHBondContact OG-N 3.37Å; R871-E881 IonicContact CZ-OE2 3.09Å; R871-E881 IonicContact NE-OE2 3.56Å; R871-E881 PolarHBondContact NE-OE2 3.25Å; R871-E881 VanDerWaalsContact NE-OE2 3.09Å; R871-E881 IonicContact NH2-OE2 3.52Å; R871-E881 PolarHBondContact NH2-OE2 3.45Å
872	V	95.7	Very high	96.1	Very high	14 Å²	14	36.2 Å²	36.2	9%	0.085	20%	0.198	C	C	.	.			trans	-128.5	160.1	175.2	-60.3	0	0	0	0	110.8	F866 M867 G870 D877 E881	F866-V872 HydrophobicContact CB-CG2 3.93Å; M867-V872 HydrophobicContact CB-CG2 4.13Å; G870-V872 PolarHBondContact O-N 3.4Å; V872-D877 HydrophobicContact CB-CB 3.81Å; V872-D877 HydrophobicContact CG1-CB 3.93Å; V872-D877 HydrophobicContact CG2-CB 4.47Å; V872-E881 HydrophobicContact CG1-CG 3.83Å
873	K	92.1	Very high	96.1	Very high	178 Å²	178	39.9 Å²	39.9	77%	0.774	22%	0.215	S	C	*	.	S	Bend	trans	-97	-32.1	-179	-66	-175.2	-179.2	-179.7	0	113
874	T	94.1	Very high	96.1	Very high	60 Å²	60	45.7 Å²	45.7	37%	0.368	24%	0.242	S	C	.	.	S	Bend	trans	-115.9	155.5	-174.9	74.9	0	0	0	0	111.3	T876 D877 G878	T874-T876 VanDerWaalsContact C-N 3.29Å; T874-T876 PolarHBondContact O-N 3.02Å; T874-D877 PolarHBondContact O-N 3.14Å; T874-D877 WeakPolarHBondContact OG1-CB 3.25Å; T874-D877 PolarHBondContact OG1-N 3.07Å; T874-D877 VanDerWaalsContact OG1-N 3.12Å; T874-D877 PolarHBondContact OG1-OD2 3.44Å; T874-G878 PolarHBondContact O-N 3.08Å; T874-G878 VanDerWaalsContact O-N 3.13Å
875	L	95.5	Very high	96.1	Very high	22 Å²	22	45.9 Å²	45.9	12%	0.115	24%	0.243	C	C	.	.	H	α-helix	trans	-61.5	-39.8	174	177.6	56.3	0	0	0	111.5	F816 A821 L860 L864 D877 G878 I879	F816-L875 HydrophobicContact CD1-CD2 4.23Å; F816-L875 HydrophobicContact CD2-CD2 3.94Å; F816-L875 HydrophobicContact CE1-CD2 4.06Å; F816-L875 HydrophobicContact CE2-CD2 3.82Å; F816-L875 HydrophobicContact CG-CD2 4.16Å; F816-L875 HydrophobicContact CZ-CD2 3.86Å; A821-L875 HydrophobicContact CB-CD2 3.86Å; L860-L875 HydrophobicContact CD1-CD1 4.25Å; L860-L875 HydrophobicContact CD1-CD2 4.01Å; L864-L875 HydrophobicContact CD2-CD1 3.87Å; L864-L875 HydrophobicContact CG-CD1 3.76Å; L875-D877 PolarHBondContact O-N 2.84Å; L875-G878 PolarHBondContact O-N 2.64Å; L875-G878 VanDerWaalsContact O-N 3.12Å; L875-I879 HydrophobicContact CD1-CD1 4.08Å; L875-I879 HydrophobicContact CD1-CG1 4.18Å; L875-I879 HydrophobicContact CG-CD1 3.86Å; L875-I879 HydrophobicContact CG-CG1 4.45Å; L875-I879 WeakPolarHBondContact O-CG1 3.15Å; L875-I879 PolarHBondContact O-N 3.49Å
876	T	96	Very high	96.1	Very high	92 Å²	92	46 Å²	46	56%	0.564	24%	0.244	S	C	*	.	H	α-helix	trans	-59.7	-46	178	-49.5	0	0	0	0	112	T874 G878 I879 A880	T874-T876 VanDerWaalsContact C-N 3.29Å; T874-T876 PolarHBondContact O-N 3.02Å; T876-G878 VanDerWaalsContact C-N 3.28Å; T876-G878 PolarHBondContact O-N 3.4Å; T876-I879 PolarHBondContact O-N 2.96Å; T876-A880 PolarHBondContact O-N 3.15Å; T876-A880 VanDerWaalsContact O-N 3.1Å
877	D	96.6	Very high	96.1	Very high	79 Å²	79	51.4 Å²	51.4	42%	0.422	27%	0.272	S	S	.	.	H	α-helix	trans	-63.8	-36.4	175.6	-61.4	-36	0	0	0	111.3	V872 T874 L875 A880 E881	V872-D877 HydrophobicContact CB-CB 3.81Å; V872-D877 HydrophobicContact CG1-CB 3.93Å; V872-D877 HydrophobicContact CG2-CB 4.47Å; T874-D877 PolarHBondContact O-N 3.14Å; T874-D877 WeakPolarHBondContact OG1-CB 3.25Å; T874-D877 PolarHBondContact OG1-N 3.07Å; T874-D877 VanDerWaalsContact OG1-N 3.12Å; T874-D877 PolarHBondContact OG1-OD2 3.44Å; L875-D877 PolarHBondContact O-N 2.84Å; D877-A880 PolarHBondContact O-N 3.09Å; D877-E881 PolarHBondContact O-N 3.3Å
878	G	97.4	Very high	96.1	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-66.7	-41.6	176.9	0	0	0	0	0	113.2	G863 F866 T874 L875 T876 A880 E881 A882	G863-G878 WeakPolarHBondContact CA-O 3.49Å; F866-G878 WeakPolarHBondContact CD2-O 3.43Å; T874-G878 PolarHBondContact O-N 3.08Å; T874-G878 VanDerWaalsContact O-N 3.13Å; L875-G878 PolarHBondContact O-N 2.64Å; L875-G878 VanDerWaalsContact O-N 3.12Å; T876-G878 VanDerWaalsContact C-N 3.28Å; T876-G878 PolarHBondContact O-N 3.4Å; G878-A880 VanDerWaalsContact C-N 3.28Å; G878-A880 PolarHBondContact O-N 3.2Å; G878-E881 PolarHBondContact O-N 3.49Å; G878-A882 WeakPolarHBondContact O-CB 3.44Å; G878-A882 PolarHBondContact O-N 2.85Å
879	I	97.6	Very high	96.1	Very high	18 Å²	18	55.1 Å²	55.1	9%	0.092	30%	0.304	C	S	.	.	H	α-helix	trans	-61.4	-40.9	174.6	-71	162.3	0	0	0	110	A821 F823 L859 L860 L875 T876 A882 E883	A821-I879 HydrophobicContact CB-CD1 4.12Å; A821-I879 WeakPolarHBondContact O-CD1 3.39Å; F823-I879 HydrophobicContact CE2-CD1 3.66Å; F823-I879 HydrophobicContact CE2-CG1 4.28Å; F823-I879 HydrophobicContact CE2-CG2 4.44Å; F823-I879 HydrophobicContact CZ-CD1 4.24Å; F823-I879 HydrophobicContact CZ-CG2 3.93Å; L859-I879 HydrophobicContact CB-CG2 4.37Å; L860-I879 HydrophobicContact CD1-CD1 4.38Å; L875-I879 HydrophobicContact CD1-CD1 4.08Å; L875-I879 HydrophobicContact CD1-CG1 4.18Å; L875-I879 HydrophobicContact CG-CD1 3.86Å; L875-I879 HydrophobicContact CG-CG1 4.45Å; L875-I879 WeakPolarHBondContact O-CG1 3.15Å; L875-I879 PolarHBondContact O-N 3.49Å; T876-I879 PolarHBondContact O-N 2.96Å; I879-A882 PolarHBondContact O-N 3.16Å; I879-E883 WeakPolarHBondContact O-CB 3.17Å; I879-E883 PolarHBondContact O-N 2.92Å
880	A	97.2	Very high	96.2	Very high	56 Å²	56	55.9 Å²	55.9	46%	0.463	31%	0.311	S	S	.	.	H	α-helix	trans	-63.9	-43.2	176.3	0	0	0	0	0	112.7	T876 D877 G878 A882 E883 Q884	T876-A880 PolarHBondContact O-N 3.15Å; T876-A880 VanDerWaalsContact O-N 3.1Å; D877-A880 PolarHBondContact O-N 3.09Å; G878-A880 VanDerWaalsContact C-N 3.28Å; G878-A880 PolarHBondContact O-N 3.2Å; A880-A882 VanDerWaalsContact C-N 3.35Å; A880-E883 PolarHBondContact O-N 2.8Å; A880-Q884 WeakPolarHBondContact O-CB 3.43Å; A880-Q884 PolarHBondContact O-N 2.97Å
881	E	97.5	Very high	96.4	Very high	51 Å²	51	54 Å²	54	24%	0.238	29%	0.292	C	S	.	.	H	α-helix	trans	-63.5	-39.4	173.8	-74.3	-79.8	144	0	0	111.9	F866 R871 V872 D877 G878 Q884 S885	F866-E881 HydrophobicContact CD1-CB 4.25Å; F866-E881 HydrophobicContact CD2-CB 3.92Å; F866-E881 HydrophobicContact CE1-CB 4.38Å; F866-E881 HydrophobicContact CE2-CB 4.1Å; F866-E881 HydrophobicContact CG-CB 4.02Å; F866-E881 HydrophobicContact CZ-CB 4.31Å; R871-E881 IonicContact CZ-OE2 3.09Å; R871-E881 IonicContact NE-OE2 3.56Å; R871-E881 PolarHBondContact NE-OE2 3.25Å; R871-E881 VanDerWaalsContact NE-OE2 3.09Å; R871-E881 IonicContact NH2-OE2 3.52Å; R871-E881 PolarHBondContact NH2-OE2 3.45Å; V872-E881 HydrophobicContact CG1-CG 3.83Å; D877-E881 PolarHBondContact O-N 3.3Å; G878-E881 PolarHBondContact O-N 3.49Å; E881-Q884 PolarHBondContact O-N 3.46Å; E881-S885 WeakPolarHBondContact O-CB 3.44Å; E881-S885 PolarHBondContact O-N 2.92Å
882	A	97.9	Very high	96.6	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.4	-44.6	175.8	0	0	0	0	0	112.1	V666 L859 A862 F866 G878 I879 A880 S885 I886	V666-A882 HydrophobicContact CG1-CB 3.88Å; V666-A882 WeakPolarHBondContact CG1-O 3.45Å; L859-A882 HydrophobicContact CD2-CB 3.84Å; A862-A882 HydrophobicContact CB-CB 3.68Å; F866-A882 HydrophobicContact CD2-CB 4.06Å; F866-A882 HydrophobicContact CE2-CB 3.82Å; G878-A882 WeakPolarHBondContact O-CB 3.44Å; G878-A882 PolarHBondContact O-N 2.85Å; I879-A882 PolarHBondContact O-N 3.16Å; A880-A882 VanDerWaalsContact C-N 3.35Å; A882-S885 PolarHBondContact O-N 3.42Å; A882-I886 WeakPolarHBondContact O-CG1 3.21Å; A882-I886 PolarHBondContact O-N 3.42Å; A882-I886 VanDerWaalsContact O-N 3.13Å
883	E	97.8	Very high	96.6	Very high	78 Å²	78	54.4 Å²	54.4	36%	0.364	30%	0.299	S	S	.	.	H	α-helix	trans	-64	-44.6	176.2	178.5	158.4	-115.5	0	0	111.2	Y855 L859 I879 A880 S885 I886 L887	Y855-E883 WeakPolarHBondContact OH-CG 3.31Å; Y855-E883 PolarHBondContact OH-OE1 3.3Å; L859-E883 HydrophobicContact CD1-CB 4.34Å; L859-E883 HydrophobicContact CD2-CB 3.89Å; I879-E883 WeakPolarHBondContact O-CB 3.17Å; I879-E883 PolarHBondContact O-N 2.92Å; A880-E883 PolarHBondContact O-N 2.8Å; E883-S885 VanDerWaalsContact C-N 3.31Å; E883-S885 PolarHBondContact O-N 2.81Å; E883-I886 PolarHBondContact O-N 3.38Å; E883-L887 HydrophobicContact CG-CD1 3.54Å; E883-L887 HydrophobicContact CG-CG 4.01Å; E883-L887 WeakPolarHBondContact O-CB 3.03Å; E883-L887 WeakPolarHBondContact O-CG 3.49Å; E883-L887 PolarHBondContact O-N 3.35Å
884	Q	97.4	Very high	96.8	Very high	122 Å²	122	49 Å²	49	57%	0.57	27%	0.273	S	S	*	.	H	α-helix	trans	-59	-41.9	174.6	-177	-177.5	-6.7	0	0	111.9	A880 E881 I886 S888	A880-Q884 WeakPolarHBondContact O-CB 3.43Å; A880-Q884 PolarHBondContact O-N 2.97Å; E881-Q884 PolarHBondContact O-N 3.46Å; Q884-I886 VanDerWaalsContact C-N 3.31Å; Q884-I886 PolarHBondContact O-N 3.47Å; Q884-S888 WeakPolarHBondContact O-CB 3.46Å; Q884-S888 PolarHBondContact O-N 2.73Å; Q884-S888 PolarHBondContact O-OG 3.33Å
885	S	97.8	Very high	96.8	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-62.1	-38.2	178.6	-177.1	0	0	0	0	112.8	V666 G669 G670 E881 A882 E883 S888 A890 A891	V666-S885 PolarHBondContact O-OG 3.04Å; G669-S885 VanDerWaalsContact CA-OG 3.29Å; G669-S885 WeakPolarHBondContact CA-OG 3.34Å; G670-S885 PolarHBondContact N-OG 2.95Å; E881-S885 WeakPolarHBondContact O-CB 3.44Å; E881-S885 PolarHBondContact O-N 2.92Å; A882-S885 PolarHBondContact O-N 3.42Å; E883-S885 VanDerWaalsContact C-N 3.31Å; E883-S885 PolarHBondContact O-N 2.81Å; S885-S888 PolarHBondContact O-OG 3.24Å; S885-A890 PolarHBondContact O-N 2.72Å; S885-A891 PolarHBondContact O-N 3.02Å
886	I	97.7	Very high	96.7	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-73.9	-52.5	176.4	-64.6	171.5	0	0	0	110.7	V666 V846 G849 Y855 L859 A882 E883 Q884 S888 G889 A891	V666-I886 HydrophobicContact CG1-CD1 4.31Å; V666-I886 HydrophobicContact CG1-CG1 4.03Å; V666-I886 HydrophobicContact CG2-CD1 3.86Å; V666-I886 HydrophobicContact CG2-CG1 3.76Å; V846-I886 HydrophobicContact CG1-CD1 4.22Å; V846-I886 WeakPolarHBondContact O-CG2 2.99Å; G849-I886 VanDerWaalsContact CA-CG2 3.49Å; Y855-I886 HydrophobicContact CD2-CD1 4.22Å; Y855-I886 HydrophobicContact CE2-CB 4.47Å; Y855-I886 HydrophobicContact CE2-CD1 3.82Å; Y855-I886 HydrophobicContact CE2-CG2 3.95Å; L859-I886 HydrophobicContact CD2-CD1 3.82Å; A882-I886 WeakPolarHBondContact O-CG1 3.21Å; A882-I886 PolarHBondContact O-N 3.42Å; A882-I886 VanDerWaalsContact O-N 3.13Å; E883-I886 PolarHBondContact O-N 3.38Å; Q884-I886 VanDerWaalsContact C-N 3.31Å; Q884-I886 PolarHBondContact O-N 3.47Å; I886-S888 VanDerWaalsContact C-N 3.29Å; I886-S888 PolarHBondContact O-N 3.38Å; I886-G889 PolarHBondContact O-N 3.03Å; I886-A891 HydrophobicContact CG1-CB 4.33Å
887	L	96.6	Very high	96.6	Very high	112 Å²	112	47.7 Å²	47.7	59%	0.586	26%	0.256	S	S	*	.	H	α-helix	trans	-68.3	-26.3	-173.1	-65.9	-177.7	0	0	0	113.4	E883 G889	E883-L887 HydrophobicContact CG-CD1 3.54Å; E883-L887 HydrophobicContact CG-CG 4.01Å; E883-L887 WeakPolarHBondContact O-CB 3.03Å; E883-L887 WeakPolarHBondContact O-CG 3.49Å; E883-L887 PolarHBondContact O-N 3.35Å; L887-G889 PolarHBondContact O-N 2.99Å
888	S	96.5	Very high	96.4	Very high	79 Å²	79	44 Å²	44	55%	0.552	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-11.9	172.5	61.7	0	0	0	0	113.8	Q884 S885 I886 A890	Q884-S888 WeakPolarHBondContact O-CB 3.46Å; Q884-S888 PolarHBondContact O-N 2.73Å; Q884-S888 PolarHBondContact O-OG 3.33Å; S885-S888 PolarHBondContact O-OG 3.24Å; I886-S888 VanDerWaalsContact C-N 3.29Å; I886-S888 PolarHBondContact O-N 3.38Å; S888-A890 VanDerWaalsContact C-N 3.26Å; S888-A890 PolarHBondContact O-N 2.96Å; S888-A890 WeakPolarHBondContact OG-CB 3.47Å; S888-A890 PolarHBondContact OG-N 3.26Å
889	G	96	Very high	96.2	Very high	23 Å²	23	45.3 Å²	45.3	24%	0.237	24%	0.243	C	C	.	.	S	Bend	trans	84.2	-9.2	-173.1	0	0	0	0	0	114.3	I886 L887 A891 Y892 D893	I886-G889 PolarHBondContact O-N 3.03Å; L887-G889 PolarHBondContact O-N 2.99Å; G889-A891 VanDerWaalsContact C-N 3.31Å; G889-A891 PolarHBondContact O-N 3.26Å; G889-Y892 PolarHBondContact O-N 3.1Å; G889-Y892 VanDerWaalsContact O-N 3.09Å; G889-D893 PolarHBondContact O-N 2.95Å
890	A	97.2	Very high	95.9	Very high	26 Å²	26	47.5 Å²	47.5	22%	0.215	26%	0.257	C	S	.	.	H	α-helix	trans	-58.8	-39.3	-175.3	0	0	0	0	0	113	G669 S885 S888 D893 R894	G669-A890 WeakPolarHBondContact O-CB 3.44Å; S885-A890 PolarHBondContact O-N 2.72Å; S888-A890 VanDerWaalsContact C-N 3.26Å; S888-A890 PolarHBondContact O-N 2.96Å; S888-A890 WeakPolarHBondContact OG-CB 3.47Å; S888-A890 PolarHBondContact OG-N 3.26Å; A890-D893 PolarHBondContact O-N 3.19Å; A890-R894 WeakPolarHBondContact O-CG 3.37Å; A890-R894 PolarHBondContact O-N 2.98Å; A890-R894 VanDerWaalsContact O-N 3.12Å
891	A	96.8	Very high	95.6	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.3	-41.7	177.3	0	0	0	0	0	112.5	F665 V666 L847 S885 I886 G889 R894	F665-A891 WeakPolarHBondContact O-CA 3.43Å; V666-A891 HydrophobicContact CB-CB 4.49Å; V666-A891 HydrophobicContact CG2-CB 4.23Å; L847-A891 HydrophobicContact CD2-CB 3.86Å; S885-A891 PolarHBondContact O-N 3.02Å; I886-A891 HydrophobicContact CG1-CB 4.33Å; G889-A891 VanDerWaalsContact C-N 3.31Å; G889-A891 PolarHBondContact O-N 3.26Å; A891-R894 PolarHBondContact O-N 3.47Å
892	Y	96.8	Very high	95.1	Very high	54 Å²	54	45 Å²	45	21%	0.212	24%	0.236	C	C	.	.	H	α-helix	trans	-67.6	-39.3	175.7	-175.2	-98.3	0	0	0	111.8	L844 L847 R848 G889 R894 L895 Q896	L844-Y892 HydrophobicContact CD2-CE2 3.83Å; L847-Y892 HydrophobicContact CB-CD2 4.05Å; R848-Y892 HydrophobicContact CG-CD2 4.12Å; R848-Y892 HydrophobicContact CG-CE2 4.19Å; R848-Y892 PolarHBondContact NH2-OH 3.43Å; G889-Y892 PolarHBondContact O-N 3.1Å; G889-Y892 VanDerWaalsContact O-N 3.09Å; Y892-R894 VanDerWaalsContact C-N 3.28Å; Y892-R894 PolarHBondContact O-N 3.48Å; Y892-L895 WeakPolarHBondContact O-CB 3.34Å; Y892-L895 PolarHBondContact O-N 2.92Å; Y892-Q896 HydrophobicContact CD1-CG 4.1Å; Y892-Q896 HydrophobicContact CE1-CG 3.76Å; Y892-Q896 PolarHBondContact O-N 3.23Å; Y892-Q896 VanDerWaalsContact O-N 3.16Å
893	D	96	Very high	94.3	Very high	85 Å²	85	51.3 Å²	51.3	46%	0.455	27%	0.265	S	S	.	.	H	α-helix	trans	-62.2	-35.5	178	-72.9	-14.7	0	0	0	112	G889 A890 L895 Q896 Q897	G889-D893 PolarHBondContact O-N 2.95Å; A890-D893 PolarHBondContact O-N 3.19Å; D893-L895 PolarHBondContact O-N 3.48Å; D893-Q896 PolarHBondContact O-N 2.91Å; D893-Q897 WeakPolarHBondContact O-CB 3.49Å; D893-Q897 VanDerWaalsContact O-CG 3.3Å; D893-Q897 WeakPolarHBondContact O-CG 3.38Å; D893-Q897 PolarHBondContact O-N 3.41Å
894	R	95.4	Very high	93.5	Very high	65 Å²	65	52.7 Å²	52.7	25%	0.245	27%	0.271	C	S	.	.	H	α-helix	trans	-62.1	-40.2	174.5	-69.3	-68.3	-178	-159.6	2.2	113.1	F665 A668 A713 I715 A890 A891 Y892 Q897 L898	F665-R894 HydrophobicContact CD1-CB 4.43Å; A668-R894 HydrophobicContact CB-CB 4.26Å; A668-R894 HydrophobicContact CB-CG 3.94Å; A668-R894 PolarHBondContact O-NE 3.12Å; A713-R894 WeakPolarHBondContact O-CD 3.38Å; A713-R894 PolarHBondContact O-NH1 2.97Å; I715-R894 HydrophobicContact CG2-CB 4.48Å; A890-R894 WeakPolarHBondContact O-CG 3.37Å; A890-R894 PolarHBondContact O-N 2.98Å; A890-R894 VanDerWaalsContact O-N 3.12Å; A891-R894 PolarHBondContact O-N 3.47Å; Y892-R894 VanDerWaalsContact C-N 3.28Å; Y892-R894 PolarHBondContact O-N 3.48Å; R894-Q897 PolarHBondContact O-N 3.35Å; R894-L898 WeakPolarHBondContact O-CB 3.37Å; R894-L898 PolarHBondContact O-N 3.5Å
895	L	94.9	Very high	92.1	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-45.7	173.3	171.1	63.6	0	0	0	111	F665 L695 I697 L843 L844 L847 Y892 D893 L898 I899	F665-L895 HydrophobicContact CD1-CB 3.9Å; F665-L895 HydrophobicContact CE1-CB 3.89Å; F665-L895 HydrophobicContact CE1-CD1 3.84Å; F665-L895 HydrophobicContact CE1-CG 4.49Å; F665-L895 HydrophobicContact CE2-CD1 4.24Å; F665-L895 HydrophobicContact CG-CB 4.47Å; F665-L895 HydrophobicContact CZ-CB 4.43Å; F665-L895 HydrophobicContact CZ-CD1 3.63Å; L695-L895 HydrophobicContact CD1-CD1 3.98Å; L695-L895 HydrophobicContact CD2-CD2 4.23Å; I697-L895 HydrophobicContact CD1-CD1 4.09Å; L843-L895 HydrophobicContact CD2-CD2 3.87Å; L844-L895 HydrophobicContact CD2-CD2 3.74Å; L847-L895 HydrophobicContact CD1-CB 4.21Å; L847-L895 HydrophobicContact CD1-CD2 4.03Å; Y892-L895 WeakPolarHBondContact O-CB 3.34Å; Y892-L895 PolarHBondContact O-N 2.92Å; D893-L895 PolarHBondContact O-N 3.48Å; L895-L898 PolarHBondContact O-N 2.51Å; L895-I899 HydrophobicContact CD1-CD1 4.02Å; L895-I899 HydrophobicContact CD1-CG1 4.47Å; L895-I899 HydrophobicContact CG-CD1 4.18Å; L895-I899 WeakPolarHBondContact O-CG1 3.33Å; L895-I899 PolarHBondContact O-N 3.41Å
896	Q	94.1	Very high	90.2	Very high	72 Å²	72	54.7 Å²	54.7	34%	0.336	31%	0.309	S	S	.	.	H	α-helix	trans	-63.5	-43.5	177.9	-63.7	-57.6	-55	0	0	111.7	Y892 D893 L898 I899 V900	Y892-Q896 HydrophobicContact CD1-CG 4.1Å; Y892-Q896 HydrophobicContact CE1-CG 3.76Å; Y892-Q896 PolarHBondContact O-N 3.23Å; Y892-Q896 VanDerWaalsContact O-N 3.16Å; D893-Q896 PolarHBondContact O-N 2.91Å; Q896-L898 PolarHBondContact O-N 3Å; Q896-I899 PolarHBondContact O-N 2.9Å; Q896-V900 VanDerWaalsContact O-CG2 3.32Å; Q896-V900 WeakPolarHBondContact O-CG2 3.31Å; Q896-V900 PolarHBondContact O-N 3.47Å
897	Q	93.1	Very high	89.9	Confident	74 Å²	74	57.2 Å²	57.2	35%	0.346	32%	0.323	S	S	.	.	H	α-helix	trans	-60.6	-43.7	176.7	-75.5	177.8	3.1	0	0	111.6	A713 D893 R894 I899 V900 K901	A713-Q897 HydrophobicContact CB-CB 4.1Å; D893-Q897 WeakPolarHBondContact O-CB 3.49Å; D893-Q897 VanDerWaalsContact O-CG 3.3Å; D893-Q897 WeakPolarHBondContact O-CG 3.38Å; D893-Q897 PolarHBondContact O-N 3.41Å; R894-Q897 PolarHBondContact O-N 3.35Å; Q897-I899 VanDerWaalsContact C-N 3.33Å; Q897-I899 PolarHBondContact O-N 2.8Å; Q897-V900 PolarHBondContact O-N 3.49Å; Q897-K901 WeakPolarHBondContact O-CB 3.47Å; Q897-K901 WeakPolarHBondContact O-CG 3.35Å; Q897-K901 PolarHBondContact O-N 3.48Å
898	L	93.6	Very high	89.5	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-59.1	-44.2	177.2	179	57.4	0	0	0	111.8	F665 I697 L709 A713 I715 R894 L895 Q896 Q902	F665-L898 HydrophobicContact CE1-CD2 3.97Å; F665-L898 HydrophobicContact CZ-CD2 4.15Å; I697-L898 HydrophobicContact CD1-CD2 3.69Å; I697-L898 HydrophobicContact CD1-CG 4.11Å; I697-L898 HydrophobicContact CG1-CG 4.49Å; L709-L898 HydrophobicContact CB-CD1 4.25Å; L709-L898 HydrophobicContact CD1-CD1 4.21Å; L709-L898 HydrophobicContact CD2-CD1 4.21Å; L709-L898 HydrophobicContact CG-CD1 4.44Å; A713-L898 HydrophobicContact CB-CB 4.31Å; I715-L898 HydrophobicContact CG2-CB 4.26Å; I715-L898 HydrophobicContact CG2-CD2 4.2Å; I715-L898 WeakPolarHBondContact O-CD1 3.14Å; R894-L898 WeakPolarHBondContact O-CB 3.37Å; R894-L898 PolarHBondContact O-N 3.5Å; L895-L898 PolarHBondContact O-N 2.51Å; Q896-L898 PolarHBondContact O-N 3Å; L898-Q902 WeakPolarHBondContact O-CB 3.34Å; L898-Q902 PolarHBondContact O-N 3.38Å
899	I	92	Very high	89.1	Confident	26 Å²	26	52.9 Å²	52.9	13%	0.133	30%	0.296	C	S	.	.	H	α-helix	trans	-64.4	-50.1	177.9	-65.8	165.1	0	0	0	110.8	L695 I697 L895 Q896 Q897 Q902 Q903	L695-I899 WeakPolarHBondContact O-CD1 3.48Å; I697-I899 HydrophobicContact CD1-CG1 4.25Å; I697-I899 HydrophobicContact CG1-CG1 3.86Å; L895-I899 HydrophobicContact CD1-CD1 4.02Å; L895-I899 HydrophobicContact CD1-CG1 4.47Å; L895-I899 HydrophobicContact CG-CD1 4.18Å; L895-I899 WeakPolarHBondContact O-CG1 3.33Å; L895-I899 PolarHBondContact O-N 3.41Å; Q896-I899 PolarHBondContact O-N 2.9Å; Q897-I899 VanDerWaalsContact C-N 3.33Å; Q897-I899 PolarHBondContact O-N 2.8Å; I899-Q902 PolarHBondContact O-N 3.1Å; I899-Q903 WeakPolarHBondContact O-CG 3.36Å; I899-Q903 PolarHBondContact O-N 3.26Å
900	V	91.5	Very high	88.7	Confident	65 Å²	65	54.7 Å²	54.7	39%	0.394	30%	0.299	S	S	.	.	H	α-helix	trans	-62.8	-47	-178.8	171.5	0	0	0	0	110.9	Q896 Q897 Q902 Q903 E904	Q896-V900 VanDerWaalsContact O-CG2 3.32Å; Q896-V900 WeakPolarHBondContact O-CG2 3.31Å; Q896-V900 PolarHBondContact O-N 3.47Å; Q897-V900 PolarHBondContact O-N 3.49Å; V900-Q902 VanDerWaalsContact C-N 3.31Å; V900-Q902 PolarHBondContact O-N 3.45Å; V900-Q903 WeakPolarHBondContact O-CB 3.48Å; V900-Q903 PolarHBondContact O-N 2.7Å; V900-Q903 VanDerWaalsContact O-N 3.09Å; V900-E904 HydrophobicContact CG1-CG 4.47Å; V900-E904 PolarHBondContact O-N 3.08Å
901	K	91.1	Very high	88.2	Confident	44 Å²	44	56.5 Å²	56.5	19%	0.191	30%	0.304	C	S	.	.	H	α-helix	trans	-67.7	-30	-178.7	-65.8	-67.9	167.8	-164.6	0	112.7	Y708 L709 E712 A713 Q897 Q903 E904 A905	Y708-K901 HydrophobicContact CE1-CB 4.07Å; Y708-K901 HydrophobicContact CE1-CD 4.26Å; Y708-K901 WeakPolarHBondContact OH-CD 3.5Å; L709-K901 HydrophobicContact CD2-CB 3.76Å; E712-K901 HydrophobicContact CB-CD 3.99Å; E712-K901 HydrophobicContact CB-CG 4.29Å; A713-K901 HydrophobicContact CB-CG 4.4Å; Q897-K901 WeakPolarHBondContact O-CB 3.47Å; Q897-K901 WeakPolarHBondContact O-CG 3.35Å; Q897-K901 PolarHBondContact O-N 3.48Å; K901-Q903 VanDerWaalsContact C-N 3.31Å; K901-Q903 PolarHBondContact O-N 2.81Å; K901-E904 WeakPolarHBondContact CD-OE2 3.38Å; K901-E904 IonicContact NZ-OE1 3.79Å; K901-E904 IonicContact NZ-OE2 2.7Å; K901-E904 PolarHBondContact NZ-OE2 2.9Å; K901-E904 PolarHBondContact O-N 3.48Å; K901-A905 WeakPolarHBondContact O-CB 3.47Å; K901-A905 PolarHBondContact O-N 2.88Å; K901-A905 VanDerWaalsContact O-N 3.12Å
902	Q	86.1	Confident	87.6	Confident	11 Å²	11	60.3 Å²	60.3	5%	0.051	33%	0.325	C	S	.	.	H	α-helix	trans	-65.4	-35.3	171.1	-91.1	-161	-9.6	0	0	113.3	I697 T698 K705 L709 L898 I899 V900 A906	I697-Q902 VanDerWaalsContact CA-OE1 3.25Å; T698-Q902 PolarHBondContact O-NE2 3.05Å; K705-Q902 WeakPolarHBondContact CE-O 3.19Å; K705-Q902 PolarHBondContact NZ-O 2.69Å; L709-Q902 HydrophobicContact CD1-CG 3.51Å; L709-Q902 HydrophobicContact CD2-CB 4.28Å; L709-Q902 HydrophobicContact CD2-CG 3.61Å; L709-Q902 HydrophobicContact CG-CG 4.2Å; L898-Q902 WeakPolarHBondContact O-CB 3.34Å; L898-Q902 PolarHBondContact O-N 3.38Å; I899-Q902 PolarHBondContact O-N 3.1Å; V900-Q902 VanDerWaalsContact C-N 3.31Å; V900-Q902 PolarHBondContact O-N 3.45Å; Q902-A906 PolarHBondContact O-N 3.37Å
903	Q	82.6	Confident	87	Confident	132 Å²	132	60.7 Å²	60.7	62%	0.617	33%	0.333	S	S	*	.	H	α-helix	trans	-74.5	-36.6	176.9	-66.2	173	-3.3	0	0	111.8	I899 V900 K901 A905 A906	I899-Q903 WeakPolarHBondContact O-CG 3.36Å; I899-Q903 PolarHBondContact O-N 3.26Å; V900-Q903 WeakPolarHBondContact O-CB 3.48Å; V900-Q903 PolarHBondContact O-N 2.7Å; V900-Q903 VanDerWaalsContact O-N 3.09Å; K901-Q903 VanDerWaalsContact C-N 3.31Å; K901-Q903 PolarHBondContact O-N 2.81Å; Q903-A905 VanDerWaalsContact C-N 3.31Å; Q903-A905 PolarHBondContact O-N 2.95Å; Q903-A906 PolarHBondContact O-N 2.7Å
904	E	80.9	Confident	86.3	Confident	107 Å²	107	58.8 Å²	58.8	50%	0.5	32%	0.323	S	S	.	.	H	α-helix	trans	-66.5	-31.8	175.1	-71.6	178.1	-169.9	0	0	113	Y708 V900 K901	Y708-E904 PolarHBondContact OH-OE2 3.41Å; V900-E904 HydrophobicContact CG1-CG 4.47Å; V900-E904 PolarHBondContact O-N 3.08Å; K901-E904 WeakPolarHBondContact CD-OE2 3.38Å; K901-E904 IonicContact NZ-OE1 3.79Å; K901-E904 IonicContact NZ-OE2 2.7Å; K901-E904 PolarHBondContact NZ-OE2 2.9Å; K901-E904 PolarHBondContact O-N 3.48Å
905	A	67.6	Low	85.5	Confident	38 Å²	38	58.3 Å²	58.3	31%	0.314	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	9.2	178.8	0	0	0	0	0	113.7	K705 Y708 K901 Q903	K705-A905 HydrophobicContact CD-CB 4.02Å; K705-A905 WeakPolarHBondContact CE-O 3.34Å; K705-A905 HydrophobicContact CG-CB 4.11Å; K705-A905 PolarHBondContact NZ-O 3.06Å; Y708-A905 HydrophobicContact CD1-CB 3.73Å; Y708-A905 HydrophobicContact CE1-CB 3.72Å; K901-A905 WeakPolarHBondContact O-CB 3.47Å; K901-A905 PolarHBondContact O-N 2.88Å; K901-A905 VanDerWaalsContact O-N 3.12Å; Q903-A905 VanDerWaalsContact C-N 3.31Å; Q903-A905 PolarHBondContact O-N 2.95Å
906	A	58.5	Low	84.6	Confident	128 Å²	128	63.5 Å²	63.5	100%	1.058	36%	0.359	S	S	*	.			trans	-95.1	0	172.6	0	0	0	0	0	109.4	Q902 Q903	Q902-A906 PolarHBondContact O-N 3.37Å; Q903-A906 PolarHBondContact O-N 2.7Å

Retrieved 906 of 906 residues in 491.4 ms (Link to these results)

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