A0A096M4F6_POEFO Loading...

Phospholipid-transporting ATPase

AlphaFold DB , UniProt , Accession A0A096M4F6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,192 aa.

						>A0A096M4F6_POEFO|A0A096M4F6
MSKEDVESGLTWEVKANSRHYHKHKQRKSFLCFTWGRYSDNVVRSHKYSLLTFLPLTLFEQFQRAANIYFLLMVVLQCVPAISSIPWYITIIPLLVVLSVRGLKDLASDMARRRCDSEINSRPCDVLVSQSFMTAQWKDVCVGDLLRIRRDQIIPADLLLLSSSEPHSLCYVETADIDGETNLKYRQALGATHNELTSHPSEEALGAFNGVVLCEEPNNRLYTFRGQLQWQGECFLLENEHVLLRGTVLRNTDFAYGLTIYTGRATGADTKILRNCGKLRAKRTQLEEVFNKVVIGIVLSVLLAALLLAIGAGVFSYQVMTQTSFLSALVVDGNPAYNGFLVYWSYIILLSPAMPIALYITFEVIHTIHSKFIGWDLEMYWKQTDKPAEARNTSLSEELGQVGYLLSDKTGTLTQNRLLLRQCCIAGQIYGKYDELCGTGSQAADYSVPMDLSWNPFSSGGLRMFSPTLVETLRGQRCPVTTQFLSALALCHTVMAEWKEGSPVYQAASPDEETLVGAARELGWVFLSRTRDFVVVSELGATRQYQLLALLDFTSKRRRMSVLVRDPEGGLKLYCKGADVVILERLQKNCPHQESTEMALELFAEACLRTLCVAVRSVPEALWERWSETLALSAAMATCERDTLLEKLYDEMERDLLLLGVTAIEDRLQEGVPETIALLQEAGIRVWVLTGDKKETAVNIGYACRLLHPESRLLEWQELSLQTHRSASSKPSRQSCGLHTRRWQEQKLLWSSPDLNCLKRKHWIKNYIWNTMSKTDISKLLDCVCPQAEFEERPEWGASFMSLAEQCQSVLCCRVTPAQKAEIVKLVRKHTASITMSIGDGANDVNMIKTAHIGVGLAGREGGQAVHNADFAVSQFRFLQRLLLVHGRWSYRRISLFLRYFLFKTCGFALVHIWFGILNGFSAQSLYETWFIALYTVFYTAVPVMCMAFFEQDVSAESSLKFPELYKSGQKKELSSPRKLVTYLLYAVYMSLVLFFIPCGVFYNTAYDYQTMAVTVSMAATFAVTVEIVILTKYWTKFNIAALCVSVVMFFICTRITHSTRLFQSSPADYFFLGVSEKAFIDPVVWLTALLTAWTAVLPSVTFHAFNVILKAFIRKQILLEGNQIHNSSPPPVELTSRFARGSSLRRSSYAISQGAGPGRLIHSATSIQRAEALKEEKVSTSKKVNGCGTLN
					

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(Predicted Aligned Error values between residue pairs)

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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	40.3	Very low	51.7	Low	162 Å²	162	96.3 Å²	96.3	80%	0.798	52%	0.518	S	S	*	.				0	118.8	0	-83.2	168.5	72.7	0	0	106.8	V6 T11	M1-V6 HydrophobicContact CE-CG2 4.09Å; M1-T11 HydrophobicContact CE-CG2 4.33Å
2	S	36.1	Very low	54.5	Low	54 Å²	54	89.2 Å²	89.2	38%	0.378	48%	0.479	S	S	.	.			trans	-71.3	163.2	172	65.1	0	0	0	0	108.8	E4 D5	S2-E4 PolarHBondContact O-N 3.2Å; S2-D5 PolarHBondContact N-OD2 3.26Å; S2-D5 PolarHBondContact O-N 3.28Å; S2-D5 PolarHBondContact OG-N 3.36Å; S2-D5 PolarHBondContact OG-OD1 3.42Å; S2-D5 PolarHBondContact OG-OD2 3.21Å; S2-D5 VanDerWaalsContact OG-OD2 3.13Å
3	K	35.3	Very low	57.1	Low	195 Å²	195	85.8 Å²	85.8	85%	0.848	46%	0.458	S	S	*	.	H	α-helix	trans	-63.3	-25.1	174.9	-87.6	179	171.7	178.9	0	112.6	V6	K3-V6 PolarHBondContact O-N 3.43Å
4	E	42.2	Very low	59.3	Low	150 Å²	150	79.7 Å²	79.7	70%	0.701	43%	0.426	S	S	*	.	H	α-helix	trans	-72.1	-31.3	178.9	-69.7	173.3	158.3	0	0	113	S2 V6 E7 S8	S2-E4 PolarHBondContact O-N 3.2Å; E4-V6 PolarHBondContact O-N 3.34Å; E4-E7 PolarHBondContact O-N 3.39Å; E4-S8 PolarHBondContact O-N 3.09Å; E4-S8 PolarHBondContact O-OG 3.35Å
5	D	41.3	Very low	61.1	Low	52 Å²	52	79.1 Å²	79.1	28%	0.278	42%	0.417	S	S	.	.	H	α-helix	trans	-65.8	-26.7	176.2	-60.9	-30.7	0	0	0	112.3	S2 S8	S2-D5 PolarHBondContact N-OD2 3.26Å; S2-D5 PolarHBondContact O-N 3.28Å; S2-D5 PolarHBondContact OG-N 3.36Å; S2-D5 PolarHBondContact OG-OD1 3.42Å; S2-D5 PolarHBondContact OG-OD2 3.21Å; S2-D5 VanDerWaalsContact OG-OD2 3.13Å; D5-S8 PolarHBondContact O-OG 3.29Å
6	V	45.6	Very low	62.7	Low	98 Å²	98	74.7 Å²	74.7	59%	0.594	40%	0.396	S	S	*	.	H	α-helix	trans	-81.9	-31.4	-178.2	-177.6	0	0	0	0	111.5	M1 K3 E4	M1-V6 HydrophobicContact CE-CG2 4.09Å; K3-V6 PolarHBondContact O-N 3.43Å; E4-V6 PolarHBondContact O-N 3.34Å
7	E	46.8	Very low	63.8	Low	179 Å²	179	73.5 Å²	73.5	84%	0.836	39%	0.39	S	S	*	.	H	α-helix	trans	-76.9	-24.9	176.2	-75	-176.6	165.5	0	0	113	E4	E4-E7 PolarHBondContact O-N 3.39Å
8	S	55.8	Low	64.9	Low	68 Å²	68	71.7 Å²	71.7	48%	0.476	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-13	-180	62.8	0	0	0	0	115.1	E4 D5 L10	E4-S8 PolarHBondContact O-N 3.09Å; E4-S8 PolarHBondContact O-OG 3.35Å; D5-S8 PolarHBondContact O-OG 3.29Å; S8-L10 VanDerWaalsContact C-N 3.31Å; S8-L10 PolarHBondContact O-N 3.11Å
9	G	64.4	Low	65.6	Low	46 Å²	46	73.2 Å²	73.2	47%	0.474	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	9.9	178.2	0	0	0	0	0	115.8	T11	G9-T11 PolarHBondContact O-N 3.3Å
10	L	79.5	Confident	66.2	Low	21 Å²	21	76.6 Å²	76.6	11%	0.11	40%	0.397	C	S	.	.			trans	-96.5	78.9	-178.4	-63.3	172.9	0	0	0	111.2	S8 C214 R225 Q227	S8-L10 VanDerWaalsContact C-N 3.31Å; S8-L10 PolarHBondContact O-N 3.11Å; L10-C214 CarbonylContact C-O 3.58Å; L10-R225 HydrophobicContact CD2-CB 4.41Å; L10-Q227 HydrophobicContact CD1-CG 4.05Å
11	T	81.9	Confident	66.8	Low	34 Å²	34	75.4 Å²	75.4	21%	0.209	39%	0.388	C	S	.	.			trans	-97.1	-15	-173.9	65.5	0	0	0	0	114.1	M1 G9 R37 C214 E216	M1-T11 HydrophobicContact CE-CG2 4.33Å; G9-T11 PolarHBondContact O-N 3.3Å; T11-R37 PolarHBondContact O-NH1 2.89Å; T11-R37 PolarHBondContact O-NH2 3.05Å; T11-C214 PolarHBondContact N-O 3.16Å; T11-E216 WeakPolarHBondContact OG1-CG 3.33Å; T11-E216 PolarHBondContact OG1-OE1 2.91Å; T11-E216 VanDerWaalsContact OG1-OE1 3.06Å
12	W	85.1	Confident	68.6	Low	11 Å²	11	68 Å²	68	4%	0.042	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	109.4	-172.1	-165	-92.9	0	0	0	111.7	R37 Y38 L213 C214 E215 P217 Y261	W12-R37 HydrophobicContact CH2-CG 4.35Å; W12-R37 WeakPolarHBondContact CH2-O 3.2Å; W12-R37 HydrophobicContact CZ3-CG 3.97Å; W12-Y38 HydrophobicContact CD2-CE1 4.42Å; W12-Y38 AromaticContact CE2-CD1 3.86Å; W12-Y38 AromaticContact CE2-CE1 3.69Å; W12-Y38 HydrophobicContact CH2-CD1 4.02Å; W12-Y38 HydrophobicContact CH2-CE1 4.4Å; W12-Y38 AromaticContact CZ2-CD1 3.39Å; W12-Y38 HydrophobicContact CZ2-CD1 3.39Å; W12-Y38 AromaticContact CZ2-CE1 3.72Å; W12-Y38 HydrophobicContact CZ2-CE1 3.72Å; W12-Y38 AromaticContact NE1-CE1 3.82Å; W12-L213 CarbonylContact O-C 3.42Å; W12-L213 WeakPolarHBondContact O-CA 3.37Å; W12-C214 VanDerWaalsContact CB-O 3.28Å; W12-C214 WeakPolarHBondContact CB-O 3.5Å; W12-C214 VanDerWaalsContact CD1-SG 3.55Å; W12-C214 PolarHBondContact N-O 3.18Å; W12-C214 PolarHBondContact O-N 3.22Å; W12-E215 WeakPolarHBondContact CB-O 3.47Å; W12-P217 HydrophobicContact CD2-CG 4.26Å; W12-P217 HydrophobicContact CE3-CG 4.15Å; W12-P217 HydrophobicContact CH2-CG 3.83Å; W12-P217 HydrophobicContact CZ2-CG 3.94Å; W12-P217 HydrophobicContact CZ3-CG 3.95Å; W12-Y261 AromaticContact CD1-CE1 3.7Å; W12-Y261 HydrophobicContact CD2-CE1 4.36Å; W12-Y261 HydrophobicContact CG-CE1 4.14Å; W12-Y261 HydrophobicContact CZ2-CD1 4.38Å; W12-Y261 AromaticContact NE1-CD1 3.7Å; W12-Y261 AromaticContact NE1-CE1 3.6Å
13	E	88.6	Confident	70.3	Confident	46 Å²	46	72.1 Å²	72.1	22%	0.215	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	133.7	-177.6	-172	-164.3	174.2	0	0	110.9	K15 Y21 Y38 V211 V212 L213	E13-K15 WeakPolarHBondContact OE1-CE 3.31Å; E13-K15 IonicContact OE1-NZ 3.97Å; E13-Y21 PolarHBondContact OE2-OH 3.23Å; E13-Y38 PolarHBondContact O-OH 3Å; E13-V211 HydrophobicContact CG-CG1 3.8Å; E13-V212 CarbonylContact C-O 3.53Å; E13-V212 WeakPolarHBondContact CA-O 2.72Å; E13-L213 HydrophobicContact CB-CD2 4.01Å; E13-L213 HydrophobicContact CG-CD2 4.09Å
14	V	87	Confident	72.1	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	119.5	175.1	178.6	0	0	0	0	109.6	V142 V212 I260	V14-V142 HydrophobicContact CB-CG1 4.32Å; V14-V142 HydrophobicContact CG1-CG1 3.73Å; V14-V142 HydrophobicContact CG2-CG1 3.74Å; V14-V212 HydrophobicContact CB-CB 4.31Å; V14-V212 PolarHBondContact N-O 2.99Å; V14-V212 PolarHBondContact O-N 3.33Å; V14-I260 HydrophobicContact CG2-CG2 4.3Å
15	K	87.4	Confident	73.4	Confident	70 Å²	70	65.8 Å²	65.8	30%	0.304	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	127.9	174	-60.8	-167	177.6	-169.9	0	110.6	E13 Y21 H22 V211	E13-K15 WeakPolarHBondContact OE1-CE 3.31Å; E13-K15 IonicContact OE1-NZ 3.97Å; K15-Y21 HydrophobicContact CB-CD1 4.43Å; K15-Y21 HydrophobicContact CD-CD1 4.17Å; K15-Y21 HydrophobicContact CD-CD2 4.48Å; K15-Y21 HydrophobicContact CD-CE1 4.16Å; K15-Y21 HydrophobicContact CD-CE2 4.49Å; K15-Y21 HydrophobicContact CD-CG 4.32Å; K15-Y21 HydrophobicContact CG-CD1 4.21Å; K15-Y21 HydrophobicContact CG-CE1 4.12Å; K15-H22 PolarHBondContact N-NE2 2.94Å; K15-H22 PolarHBondContact O-NE2 3.29Å; K15-V211 HydrophobicContact CG-CG1 4.4Å; K15-V211 HydrophobicContact CG-CG2 4.22Å
16	A	85.8	Confident	74.7	Confident	9 Å²	9	65.9 Å²	65.9	7%	0.074	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	144.7	176.1	0	0	0	0	0	112.1	S18 F208 G210 L258	A16-S18 PolarHBondContact O-N 2.87Å; A16-F208 HydrophobicContact CB-CD1 3.5Å; A16-F208 VanDerWaalsContact CB-CD1 3.5Å; A16-F208 HydrophobicContact CB-CE1 3.57Å; A16-G210 WeakPolarHBondContact CB-O 3.42Å; A16-G210 PolarHBondContact N-O 3.34Å; A16-L258 HydrophobicContact CB-CD1 3.84Å; A16-L258 HydrophobicContact CB-CD2 4.09Å
17	N	82.4	Confident	75.8	Confident	55 Å²	55	65.1 Å²	65.1	29%	0.294	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	12.7	176.9	-68.9	-35	0	0	0	115.8	R19 G143 L145 L205 G206 F208	N17-R19 PolarHBondContact O-N 3.28Å; N17-G143 PolarHBondContact N-O 2.98Å; N17-L145 WeakPolarHBondContact ND2-CD1 3.36Å; N17-L145 WeakPolarHBondContact OD1-CD1 3.35Å; N17-L205 PolarHBondContact ND2-O 3.2Å; N17-G206 PolarHBondContact ND2-O 3.31Å; N17-F208 PolarHBondContact ND2-O 3.19Å
18	S	82.3	Confident	76.9	Confident	41 Å²	41	62.4 Å²	62.4	29%	0.287	31%	0.305	S	S	.	.			trans	-105.5	64.9	-174.7	-159.9	0	0	0	0	112.4	A16 H20 Y21 H22	A16-S18 PolarHBondContact O-N 2.87Å; S18-H20 PolarHBondContact O-N 3.44Å; S18-Y21 WeakPolarHBondContact O-CB 3.49Å; S18-Y21 PolarHBondContact O-N 3.23Å; S18-Y21 VanDerWaalsContact O-N 3.15Å; S18-Y21 VanDerWaalsContact OG-CB 3.3Å; S18-Y21 WeakPolarHBondContact OG-CB 3.48Å; S18-H22 PolarHBondContact O-CD2 2.98Å; S18-H22 PolarHBondContact O-N 3.04Å
19	R	78.3	Confident	77.1	Confident	100 Å²	100	62 Å²	62	38%	0.377	30%	0.302	S	S	.	.	H	α-helix	trans	-59.2	-35.5	-177.1	-151.3	174.3	-137.8	-149.6	-7	113.1	N17 H22 K23 D139 C141 D144	N17-R19 PolarHBondContact O-N 3.28Å; R19-H22 PolarHBondContact O-N 2.82Å; R19-K23 WeakPolarHBondContact O-CB 3.5Å; R19-K23 PolarHBondContact O-N 2.8Å; R19-D139 PolarHBondContact NH2-O 3.22Å; R19-C141 HydrophobicContact CG-CB 4.49Å; R19-D144 IonicContact CZ-OD1 3.45Å; R19-D144 IonicContact CZ-OD2 3.06Å; R19-D144 IonicContact NE-OD1 3.75Å; R19-D144 PolarHBondContact NE-OD1 2.85Å; R19-D144 VanDerWaalsContact NE-OD1 3.08Å; R19-D144 IonicContact NE-OD2 3.92Å; R19-D144 PolarHBondContact NE-OD2 2.84Å; R19-D144 IonicContact NH2-OD1 2.77Å; R19-D144 IonicContact NH2-OD2 3.95Å; R19-D144 PolarHBondContact NH2-OD2 3.3Å
20	H	77.9	Confident	76.5	Confident	141 Å²	141	66.7 Å²	66.7	65%	0.653	31%	0.31	S	S	*	.	H	α-helix	trans	-65.4	-39.7	178.2	-173.4	-92.1	0	0	0	112.5	S18 H22 H24	S18-H20 PolarHBondContact O-N 3.44Å; H20-H22 VanDerWaalsContact C-N 3.33Å; H20-H22 PolarHBondContact O-N 2.88Å; H20-H24 AromaticContact CD2-NE2 3.94Å; H20-H24 AromaticContact CE1-CD2 3.41Å; H20-H24 PolarHBondContact CE1-CD2 3.34Å; H20-H24 VanDerWaalsContact CE1-CD2 3.41Å; H20-H24 AromaticContact CE1-NE2 3.19Å; H20-H24 PolarHBondContact CE1-NE2 3.24Å; H20-H24 AromaticContact ND1-CD2 3.78Å; H20-H24 AromaticContact ND1-NE2 3.98Å; H20-H24 AromaticContact NE2-CD2 3.66Å; H20-H24 AromaticContact NE2-NE2 3.09Å; H20-H24 PolarHBondContact NE2-NE2 3.15Å; H20-H24 PolarHBondContact O-CD2 2.87Å; H20-H24 VanDerWaalsContact O-CD2 3.32Å
21	Y	79.1	Confident	74.9	Confident	51 Å²	51	72.3 Å²	72.3	20%	0.2	34%	0.339	C	S	.	.	H	α-helix	trans	-60.5	-44.2	177.1	178.4	-103.5	0	0	0	111.6	E13 K15 S18 K25	E13-Y21 PolarHBondContact OE2-OH 3.23Å; K15-Y21 HydrophobicContact CB-CD1 4.43Å; K15-Y21 HydrophobicContact CD-CD1 4.17Å; K15-Y21 HydrophobicContact CD-CD2 4.48Å; K15-Y21 HydrophobicContact CD-CE1 4.16Å; K15-Y21 HydrophobicContact CD-CE2 4.49Å; K15-Y21 HydrophobicContact CD-CG 4.32Å; K15-Y21 HydrophobicContact CG-CD1 4.21Å; K15-Y21 HydrophobicContact CG-CE1 4.12Å; S18-Y21 WeakPolarHBondContact O-CB 3.49Å; S18-Y21 PolarHBondContact O-N 3.23Å; S18-Y21 VanDerWaalsContact O-N 3.15Å; S18-Y21 VanDerWaalsContact OG-CB 3.3Å; S18-Y21 WeakPolarHBondContact OG-CB 3.48Å; Y21-K25 HydrophobicContact CE1-CD 4.45Å; Y21-K25 VanDerWaalsContact CZ-NZ 3.27Å; Y21-K25 PolarHBondContact OH-NZ 2.86Å
22	H	77.7	Confident	73.4	Confident	6 Å²	6	77 Å²	77	3%	0.028	37%	0.372	C	S	.	.	H	α-helix	trans	-76.5	-35	-177	-62.9	-58.2	0	0	0	113	K15 S18 R19 H20 H24 K25 Q26 Y38 V142	K15-H22 PolarHBondContact N-NE2 2.94Å; K15-H22 PolarHBondContact O-NE2 3.29Å; S18-H22 PolarHBondContact O-CD2 2.98Å; S18-H22 PolarHBondContact O-N 3.04Å; R19-H22 PolarHBondContact O-N 2.82Å; H20-H22 VanDerWaalsContact C-N 3.33Å; H20-H22 PolarHBondContact O-N 2.88Å; H22-H24 VanDerWaalsContact C-N 3.33Å; H22-H24 PolarHBondContact O-N 3.22Å; H22-K25 CarbonylContact O-C 3.47Å; H22-K25 PolarHBondContact O-N 3.14Å; H22-Q26 PolarHBondContact O-N 3.3Å; H22-Y38 AromaticContact ND1-CD2 3.97Å; H22-Y38 AromaticContact ND1-CE2 3.5Å; H22-Y38 WeakPolarHBondContact ND1-CE2 3.38Å; H22-Y38 AromaticContact ND1-CZ 3.71Å; H22-V142 PolarHBondContact CD2-O 3.47Å
23	K	73.1	Confident	71.6	Confident	142 Å²	142	83.9 Å²	83.9	62%	0.617	40%	0.402	S	S	*	.	H	α-helix	trans	-62.9	-34.7	-179	-163.1	174.3	-174.6	177.7	0	113.3	R19 K25 Q26	R19-K23 WeakPolarHBondContact O-CB 3.5Å; R19-K23 PolarHBondContact O-N 2.8Å; K23-K25 VanDerWaalsContact C-N 3.34Å; K23-Q26 WeakPolarHBondContact O-CB 3.28Å
24	H	71.3	Confident	70.1	Confident	138 Å²	138	86.4 Å²	86.4	64%	0.639	42%	0.421	S	S	*	.	H	α-helix	trans	-72.9	-27.2	174.7	-77.9	-69.1	0	0	0	113.2	H20 H22	H20-H24 AromaticContact CD2-NE2 3.94Å; H20-H24 AromaticContact CE1-CD2 3.41Å; H20-H24 PolarHBondContact CE1-CD2 3.34Å; H20-H24 VanDerWaalsContact CE1-CD2 3.41Å; H20-H24 AromaticContact CE1-NE2 3.19Å; H20-H24 PolarHBondContact CE1-NE2 3.24Å; H20-H24 AromaticContact ND1-CD2 3.78Å; H20-H24 AromaticContact ND1-NE2 3.98Å; H20-H24 AromaticContact NE2-CD2 3.66Å; H20-H24 AromaticContact NE2-NE2 3.09Å; H20-H24 PolarHBondContact NE2-NE2 3.15Å; H20-H24 PolarHBondContact O-CD2 2.87Å; H20-H24 VanDerWaalsContact O-CD2 3.32Å; H22-H24 VanDerWaalsContact C-N 3.33Å; H22-H24 PolarHBondContact O-N 3.22Å
25	K	70.2	Confident	68.8	Low	73 Å²	73	93.1 Å²	93.1	32%	0.317	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	7.9	178.1	-66	-176.3	178.6	-173.1	0	113	Y21 H22 K23 G36 R37 Y38	Y21-K25 HydrophobicContact CE1-CD 4.45Å; Y21-K25 VanDerWaalsContact CZ-NZ 3.27Å; Y21-K25 PolarHBondContact OH-NZ 2.86Å; H22-K25 CarbonylContact O-C 3.47Å; H22-K25 PolarHBondContact O-N 3.14Å; K23-K25 VanDerWaalsContact C-N 3.34Å; K25-G36 CarbonylContact O-C 3.49Å; K25-R37 PolarHBondContact O-N 2.71Å; K25-Y38 HydrophobicContact CB-CD2 3.68Å; K25-Y38 HydrophobicContact CB-CE2 3.69Å; K25-Y38 HydrophobicContact CD-CE2 4.05Å; K25-Y38 PolarHBondContact O-N 3.3Å; K25-Y38 VanDerWaalsContact O-N 3.11Å
26	Q	68.1	Low	67.8	Low	54 Å²	54	91.7 Å²	91.7	25%	0.252	45%	0.452	S	S	.	.	B	Isolated β-bridge	trans	-73.6	140.4	-179.5	-162.3	176.1	10.3	0	0	111.4	H22 K23 K28 Y38	H22-Q26 PolarHBondContact O-N 3.3Å; K23-Q26 WeakPolarHBondContact O-CB 3.28Å; Q26-K28 PolarHBondContact O-N 3.05Å; Q26-Y38 CarbonylContact C-O 3.26Å; Q26-Y38 WeakPolarHBondContact CA-O 3.22Å
27	R	68.5	Low	67.2	Low	83 Å²	83	95 Å²	95	31%	0.313	46%	0.462	S	S	.	.			trans	-63.4	114	179	-85.5	-178.3	176.1	155.4	0.5	111.1	W35 G36 Y38 S39 G267 D269	R27-W35 CarbonylContact C-O 3.55Å; R27-W35 VanDerWaalsContact CA-O 3.26Å; R27-W35 WeakPolarHBondContact CA-O 3.18Å; R27-G36 WeakPolarHBondContact CG-O 3.44Å; R27-Y38 WeakPolarHBondContact CB-O 3.23Å; R27-Y38 PolarHBondContact N-O 3.22Å; R27-S39 PolarHBondContact NH1-OG 3.35Å; R27-S39 VanDerWaalsContact NH1-OG 3.15Å; R27-G267 PolarHBondContact NH1-O 3.2Å; R27-G267 VanDerWaalsContact NH1-O 3.12Å; R27-D269 IonicContact NH1-OD1 3.7Å
28	K	70.1	Confident	67	Low	122 Å²	122	92.5 Å²	92.5	53%	0.53	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	145.4	168.8	-62.7	-179.3	-176.3	176.8	0	109.1	Q26 T34 W35	Q26-K28 PolarHBondContact O-N 3.05Å; K28-T34 WeakPolarHBondContact O-CA 3.23Å; K28-W35 HydrophobicContact CB-CZ2 4.09Å; K28-W35 PolarHBondContact N-O 3.11Å; K28-W35 PolarHBondContact O-N 3.06Å; K28-W35 VanDerWaalsContact O-N 3.13Å
29	S	60.8	Low	66.8	Low	59 Å²	59	90.8 Å²	90.8	41%	0.413	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	122.9	176.6	60.6	0	0	0	0	110.5	F33 R264	S29-F33 VanDerWaalsContact CA-O 3.31Å; S29-F33 WeakPolarHBondContact CA-O 3.45Å; S29-R264 PolarHBondContact OG-NH2 2.95Å
30	F	52.3	Low	67	Low	145 Å²	145	86.9 Å²	86.9	64%	0.636	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134	127.5	173.4	-171.2	-102.3	0	0	0	108.7	C32 F33 W35	F30-C32 VanDerWaalsContact C-N 3.35Å; F30-C32 PolarHBondContact O-N 3.04Å; F30-F33 PolarHBondContact N-O 3.13Å; F30-F33 PolarHBondContact O-N 2.77Å; F30-W35 HydrophobicContact CB-CH2 4.1Å; F30-W35 HydrophobicContact CB-CZ3 4.45Å
31	L	45.8	Very low	67.4	Low	138 Å²	138	80.1 Å²	80.1	72%	0.723	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	38.9	58.5	179.6	-88.2	114.6	0	0	0	113.7	F33	L31-F33 VanDerWaalsContact C-N 3.29Å; L31-F33 PolarHBondContact O-N 2.88Å
32	C	49.3	Very low	67.6	Low	133 Å²	133	79.1 Å²	79.1	90%	0.899	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	-9.4	178	-60.9	0	0	0	0	118.1	F30	F30-C32 VanDerWaalsContact C-N 3.35Å; F30-C32 PolarHBondContact O-N 3.04Å
33	F	47.4	Very low	67.6	Low	155 Å²	155	79.6 Å²	79.6	68%	0.68	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	126.5	172.3	-69.3	-84.6	0	0	0	110.7	S29 F30 L31 W35	S29-F33 VanDerWaalsContact CA-O 3.31Å; S29-F33 WeakPolarHBondContact CA-O 3.45Å; F30-F33 PolarHBondContact N-O 3.13Å; F30-F33 PolarHBondContact O-N 2.77Å; L31-F33 VanDerWaalsContact C-N 3.29Å; L31-F33 PolarHBondContact O-N 2.88Å; F33-W35 HydrophobicContact CB-CE3 4.38Å; F33-W35 HydrophobicContact CB-CZ3 4.31Å
34	T	57.9	Low	67.7	Low	99 Å²	99	78 Å²	78	61%	0.607	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	122.5	175.9	55.1	0	0	0	0	110.1	K28	K28-T34 WeakPolarHBondContact O-CA 3.23Å
35	W	58.3	Low	67.7	Low	141 Å²	141	74 Å²	74	53%	0.534	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	146	173.5	62.8	80.7	0	0	0	110.4	R27 K28 F30 F33	R27-W35 CarbonylContact C-O 3.55Å; R27-W35 VanDerWaalsContact CA-O 3.26Å; R27-W35 WeakPolarHBondContact CA-O 3.18Å; K28-W35 HydrophobicContact CB-CZ2 4.09Å; K28-W35 PolarHBondContact N-O 3.11Å; K28-W35 PolarHBondContact O-N 3.06Å; K28-W35 VanDerWaalsContact O-N 3.13Å; F30-W35 HydrophobicContact CB-CH2 4.1Å; F30-W35 HydrophobicContact CB-CZ3 4.45Å; F33-W35 HydrophobicContact CB-CE3 4.38Å; F33-W35 HydrophobicContact CB-CZ3 4.31Å
36	G	66.4	Low	68	Low	40 Å²	40	73.2 Å²	73.2	41%	0.412	37%	0.37	S	S	.	.			trans	115.7	159	-176.4	0	0	0	0	0	113.4	K25 R27	K25-G36 CarbonylContact O-C 3.49Å; R27-G36 WeakPolarHBondContact CG-O 3.44Å
37	R	74.1	Confident	68.1	Low	79 Å²	79	76.2 Å²	76.2	30%	0.298	38%	0.382	S	S	.	.	S	Bend	trans	-97.1	-45.7	-172	-160.8	173.3	-166.8	-178	3.8	113	T11 W12 K25	T11-R37 PolarHBondContact O-NH1 2.89Å; T11-R37 PolarHBondContact O-NH2 3.05Å; W12-R37 HydrophobicContact CH2-CG 4.35Å; W12-R37 WeakPolarHBondContact CH2-O 3.2Å; W12-R37 HydrophobicContact CZ3-CG 3.97Å; K25-R37 PolarHBondContact O-N 2.71Å
38	Y	78.4	Confident	68.5	Low	3 Å²	3	72.6 Å²	72.6	1%	0.012	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-98.7	141.3	-173.9	-52.8	-74.9	0	0	0	112.9	W12 E13 H22 K25 Q26 R27 V142	W12-Y38 HydrophobicContact CD2-CE1 4.42Å; W12-Y38 AromaticContact CE2-CD1 3.86Å; W12-Y38 AromaticContact CE2-CE1 3.69Å; W12-Y38 HydrophobicContact CH2-CD1 4.02Å; W12-Y38 HydrophobicContact CH2-CE1 4.4Å; W12-Y38 AromaticContact CZ2-CD1 3.39Å; W12-Y38 HydrophobicContact CZ2-CD1 3.39Å; W12-Y38 AromaticContact CZ2-CE1 3.72Å; W12-Y38 HydrophobicContact CZ2-CE1 3.72Å; W12-Y38 AromaticContact NE1-CE1 3.82Å; E13-Y38 PolarHBondContact O-OH 3Å; H22-Y38 AromaticContact ND1-CD2 3.97Å; H22-Y38 AromaticContact ND1-CE2 3.5Å; H22-Y38 WeakPolarHBondContact ND1-CE2 3.38Å; H22-Y38 AromaticContact ND1-CZ 3.71Å; K25-Y38 HydrophobicContact CB-CD2 3.68Å; K25-Y38 HydrophobicContact CB-CE2 3.69Å; K25-Y38 HydrophobicContact CD-CE2 4.05Å; K25-Y38 PolarHBondContact O-N 3.3Å; K25-Y38 VanDerWaalsContact O-N 3.11Å; Q26-Y38 CarbonylContact C-O 3.26Å; Q26-Y38 WeakPolarHBondContact CA-O 3.22Å; R27-Y38 WeakPolarHBondContact CB-O 3.23Å; R27-Y38 PolarHBondContact N-O 3.22Å; Y38-V142 HydrophobicContact CD1-CB 4.23Å; Y38-V142 HydrophobicContact CD1-CG1 4Å; Y38-V142 HydrophobicContact CD1-CG2 3.99Å; Y38-V142 HydrophobicContact CE1-CG1 4.12Å; Y38-V142 HydrophobicContact CG-CB 4.48Å; Y38-V142 HydrophobicContact CG-CG2 4.31Å
39	S	77.4	Confident	69.1	Low	4 Å²	4	69.1 Å²	69.1	3%	0.028	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-85.2	156.1	177.7	-56	0	0	0	0	113.2	R27 T262 G267 D269	R27-S39 PolarHBondContact NH1-OG 3.35Å; R27-S39 VanDerWaalsContact NH1-OG 3.15Å; S39-T262 PolarHBondContact O-OG1 3.4Å; S39-G267 PolarHBondContact OG-O 3.35Å; S39-D269 WeakPolarHBondContact CB-OD2 3.16Å; S39-D269 PolarHBondContact N-OD2 3.43Å; S39-D269 PolarHBondContact OG-OD2 2.76Å
40	D	82.4	Confident	70	Confident	18 Å²	18	73.6 Å²	73.6	10%	0.096	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-72.5	160.3	165.3	57.5	-28.5	0	0	0	110.7	V42 R44 G263 R264	D40-V42 VanDerWaalsContact C-N 3.26Å; D40-V42 HydrophobicContact CB-CG2 4.27Å; D40-V42 PolarHBondContact O-N 3.11Å; D40-V42 WeakPolarHBondContact OD2-CG2 3.34Å; D40-R44 IonicContact OD2-CZ 3.28Å; D40-R44 IonicContact OD2-NH2 2.75Å; D40-R44 PolarHBondContact OD2-NH2 3.3Å; D40-G263 CarbonylContact O-C 3.1Å; D40-R264 PolarHBondContact O-N 3.18Å; D40-R264 VanDerWaalsContact O-N 3.07Å; D40-R264 WeakPolarHBondContact OD1-CB 3.49Å; D40-R264 WeakPolarHBondContact OD1-CD 3.47Å; D40-R264 WeakPolarHBondContact OD1-CG 3.47Å
41	N	86.3	Confident	71.5	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	39%	0.387	C	S	.	.	S	Bend	trans	-89.5	14.5	178.2	-158.7	39.5	0	0	0	113.7	W137 V140 R245 T262 G263	N41-W137 WeakPolarHBondContact CB-O 3.25Å; N41-W137 PolarHBondContact ND2-O 3.16Å; N41-V140 HydrophobicContact CB-CB 4.31Å; N41-V140 WeakPolarHBondContact CB-O 3.49Å; N41-R245 PolarHBondContact OD1-NH1 3.41Å; N41-T262 HydrophobicContact CB-CG2 4.34Å; N41-G263 CarbonylContact C-O 3.42Å; N41-G263 WeakPolarHBondContact CA-O 3.4Å; N41-G263 PolarHBondContact OD1-N 3.44Å
42	V	83.9	Confident	73.3	Confident	29 Å²	29	70.4 Å²	70.4	18%	0.176	37%	0.369	C	S	.	.			trans	-82.1	120.2	-178.2	-170.3	0	0	0	0	110.6	D40 R44 K138 G263	D40-V42 VanDerWaalsContact C-N 3.26Å; D40-V42 HydrophobicContact CB-CG2 4.27Å; D40-V42 PolarHBondContact O-N 3.11Å; D40-V42 WeakPolarHBondContact OD2-CG2 3.34Å; V42-R44 HydrophobicContact CG1-CG 3.84Å; V42-R44 PolarHBondContact O-N 2.68Å; V42-K138 HydrophobicContact CG2-CB 3.96Å; V42-G263 CarbonylContact C-O 3.57Å; V42-G263 PolarHBondContact N-O 2.86Å
43	V	77.5	Confident	75.2	Confident	17 Å²	17	65.9 Å²	65.9	10%	0.103	33%	0.334	C	S	.	.			trans	-78.8	120.2	170.3	-175.5	0	0	0	0	109.1	I119 N120 A265	V43-I119 HydrophobicContact CG2-CG2 4.11Å; V43-N120 PolarHBondContact N-OD1 3.29Å; V43-N120 PolarHBondContact O-ND2 2.98Å; V43-A265 HydrophobicContact CG1-CB 4.41Å
44	R	75.3	Confident	77	Confident	108 Å²	108	63.9 Å²	63.9	41%	0.408	33%	0.33	S	S	.	.			trans	-128	89.7	177.1	-55.4	-175.5	-159.9	-178.1	6.9	110.1	D40 V42 A265	D40-R44 IonicContact OD2-CZ 3.28Å; D40-R44 IonicContact OD2-NH2 2.75Å; D40-R44 PolarHBondContact OD2-NH2 3.3Å; V42-R44 HydrophobicContact CG1-CG 3.84Å; V42-R44 PolarHBondContact O-N 2.68Å; R44-A265 VanDerWaalsContact C-CB 3.49Å; R44-A265 HydrophobicContact CB-CB 4.43Å; R44-A265 WeakPolarHBondContact O-CB 3.36Å
45	S	71.9	Confident	78.5	Confident	54 Å²	54	62.9 Å²	62.9	38%	0.378	33%	0.325	S	S	.	.			trans	-88.2	-16	176.4	72.7	0	0	0	0	113.4	D116	S45-D116 VanDerWaalsContact CB-OD1 3.22Å; S45-D116 WeakPolarHBondContact CB-OD1 3.45Å; S45-D116 VanDerWaalsContact N-CG 3.31Å; S45-D116 PolarHBondContact N-OD1 3.44Å; S45-D116 VanDerWaalsContact N-OD1 3.17Å; S45-D116 PolarHBondContact N-OD2 2.96Å; S45-D116 VanDerWaalsContact OG-CG 3.23Å; S45-D116 PolarHBondContact OG-OD1 2.98Å; S45-D116 PolarHBondContact OG-OD2 2.87Å
46	H	75.1	Confident	79.7	Confident	57 Å²	57	59.6 Å²	59.6	26%	0.264	32%	0.318	S	S	.	.			trans	-66.9	144	172.1	64.8	-86.2	0	0	0	112	Y48 D109 R112 R113 D116	H46-Y48 PolarHBondContact CD2-O 2.83Å; H46-D109 WeakPolarHBondContact CA-OD1 3.43Å; H46-D109 WeakPolarHBondContact CB-OD1 3.47Å; H46-R112 HydrophobicContact CB-CB 4.38Å; H46-R113 HydrophobicContact CB-CG 3.59Å; H46-D116 IonicContact CE1-OD2 2.8Å; H46-D116 IonicContact CG-OD2 3.79Å; H46-D116 PolarHBondContact N-OD2 2.79Å; H46-D116 IonicContact ND1-OD2 3.35Å; H46-D116 PolarHBondContact ND1-OD2 2.96Å
47	K	70.6	Confident	80.6	Confident	117 Å²	117	58 Å²	58	51%	0.509	30%	0.3	S	S	.	.			trans	-90.2	-36.7	-175	-68.7	-177.4	179.1	-178	0	112.7	D109	K47-D109 PolarHBondContact N-OD1 3.38Å
48	Y	77.9	Confident	81.2	Confident	7 Å²	7	57.3 Å²	57.3	3%	0.027	30%	0.302	C	S	.	.			trans	-110.8	145.1	-167.8	-48	-73.7	0	0	0	110.9	H46 F53 L56 E60 D109 R113	H46-Y48 PolarHBondContact CD2-O 2.83Å; Y48-F53 HydrophobicContact CD1-CD2 4.47Å; Y48-F53 AromaticContact CD2-CD2 3.98Å; Y48-F53 HydrophobicContact CD2-CD2 3.98Å; Y48-F53 HydrophobicContact CD2-CE2 4.44Å; Y48-F53 AromaticContact CG-CD2 3.89Å; Y48-F53 HydrophobicContact CG-CD2 3.89Å; Y48-L56 HydrophobicContact CD1-CB 4.15Å; Y48-L56 HydrophobicContact CD1-CD2 3.93Å; Y48-L56 HydrophobicContact CE1-CB 4.29Å; Y48-L56 HydrophobicContact CE1-CD2 3.75Å; Y48-E60 PolarHBondContact OH-OE2 2.88Å; Y48-D109 HydrophobicContact CD2-CB 4.03Å; Y48-R113 PolarHBondContact O-NH2 2.76Å
49	S	81.6	Confident	81.5	Confident	49 Å²	49	63.6 Å²	63.6	34%	0.343	33%	0.33	S	S	.	.			trans	-96.5	169.7	162.3	74.7	0	0	0	0	109.5	L51 T52 F53	S49-L51 PolarHBondContact O-N 2.97Å; S49-T52 WeakPolarHBondContact CB-OG1 3.37Å; S49-T52 PolarHBondContact N-OG1 3.33Å; S49-T52 PolarHBondContact O-N 3.37Å; S49-T52 WeakPolarHBondContact OG-CB 3.47Å; S49-T52 WeakPolarHBondContact OG-CG2 3.35Å; S49-T52 PolarHBondContact OG-N 3.46Å; S49-T52 PolarHBondContact OG-OG1 3.49Å; S49-F53 WeakPolarHBondContact O-CB 3.34Å; S49-F53 PolarHBondContact O-N 2.82Å
50	L	79.5	Confident	81.7	Confident	153 Å²	153	66.2 Å²	66.2	80%	0.801	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-39.5	177.1	-74.6	167.5	0	0	0	112.6
51	L	83.5	Confident	81.7	Confident	158 Å²	158	65.4 Å²	65.4	83%	0.827	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-29.3	-180	-66.5	171	0	0	0	113	S49 P55	S49-L51 PolarHBondContact O-N 2.97Å; L51-P55 WeakPolarHBondContact O-CD 3.09Å
52	T	85	Confident	81.5	Confident	57 Å²	57	68 Å²	68	35%	0.35	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-10	-179.2	61.9	0	0	0	0	113.7	S49 L56	S49-T52 WeakPolarHBondContact CB-OG1 3.37Å; S49-T52 PolarHBondContact N-OG1 3.33Å; S49-T52 PolarHBondContact O-N 3.37Å; S49-T52 WeakPolarHBondContact OG-CB 3.47Å; S49-T52 WeakPolarHBondContact OG-CG2 3.35Å; S49-T52 PolarHBondContact OG-N 3.46Å; S49-T52 PolarHBondContact OG-OG1 3.49Å; T52-L56 WeakPolarHBondContact O-CB 3.46Å; T52-L56 PolarHBondContact O-N 2.81Å
53	F	87.6	Confident	81.3	Confident	39 Å²	39	72.7 Å²	72.7	17%	0.171	37%	0.368	C	S	.	.	H	α-helix	trans	-56.9	-63	179.9	174.4	-105.4	0	0	0	111.8	Y48 S49 L56 T57 G102 L106	Y48-F53 HydrophobicContact CD1-CD2 4.47Å; Y48-F53 AromaticContact CD2-CD2 3.98Å; Y48-F53 HydrophobicContact CD2-CD2 3.98Å; Y48-F53 HydrophobicContact CD2-CE2 4.44Å; Y48-F53 AromaticContact CG-CD2 3.89Å; Y48-F53 HydrophobicContact CG-CD2 3.89Å; S49-F53 WeakPolarHBondContact O-CB 3.34Å; S49-F53 PolarHBondContact O-N 2.82Å; F53-L56 PolarHBondContact O-N 2.76Å; F53-T57 WeakPolarHBondContact O-CB 3.46Å; F53-T57 PolarHBondContact O-N 2.77Å; F53-T57 PolarHBondContact O-OG1 3.5Å; F53-G102 WeakPolarHBondContact CZ-O 3.23Å; F53-L106 HydrophobicContact CD2-CD1 4.2Å; F53-L106 HydrophobicContact CE2-CB 3.8Å; F53-L106 HydrophobicContact CE2-CD1 4.01Å; F53-L106 HydrophobicContact CE2-CG 4.46Å; F53-L106 HydrophobicContact CZ-CB 3.69Å; F53-L106 HydrophobicContact CZ-CD1 4.19Å; F53-L106 HydrophobicContact CZ-CG 4.34Å
54	L	86.8	Confident	81.2	Confident	112 Å²	112	75.6 Å²	75.6	59%	0.586	38%	0.377	S	S	*	.	H	α-helix	trans	-57.2	-53.5	-176.8	-170.5	73	0	0	0	113.5	L56 L58	L54-L56 PolarHBondContact O-N 2.88Å; L54-L58 HydrophobicContact CD1-CD1 4.13Å; L54-L58 HydrophobicContact CD1-CG 4.44Å; L54-L58 HydrophobicContact CG-CD1 3.97Å; L54-L58 WeakPolarHBondContact O-CB 3.3Å; L54-L58 VanDerWaalsContact O-CG 3.24Å; L54-L58 WeakPolarHBondContact O-CG 3.24Å; L54-L58 PolarHBondContact O-N 3.17Å
55	P	88.4	Confident	81.2	Confident	78 Å²	78	74.1 Å²	74.1	51%	0.506	39%	0.389	S	S	.	.	H	α-helix	trans	-67.4	-39.4	-176.5	25	-34	0	0	0	112.9	L51 F59	L51-P55 WeakPolarHBondContact O-CD 3.09Å; P55-F59 VanDerWaalsContact O-CB 3.25Å; P55-F59 WeakPolarHBondContact O-CB 3.33Å; P55-F59 PolarHBondContact O-N 2.99Å
56	L	83.8	Confident	81.4	Confident	73 Å²	73	72.1 Å²	72.1	38%	0.382	38%	0.375	S	S	.	.	H	α-helix	trans	-75.8	-38.8	-177.6	-147.3	112.8	0	0	0	111.2	Y48 T52 F53 L54 F59 E60	Y48-L56 HydrophobicContact CD1-CB 4.15Å; Y48-L56 HydrophobicContact CD1-CD2 3.93Å; Y48-L56 HydrophobicContact CE1-CB 4.29Å; Y48-L56 HydrophobicContact CE1-CD2 3.75Å; T52-L56 WeakPolarHBondContact O-CB 3.46Å; T52-L56 PolarHBondContact O-N 2.81Å; F53-L56 PolarHBondContact O-N 2.76Å; L54-L56 PolarHBondContact O-N 2.88Å; L56-F59 PolarHBondContact O-N 3.08Å; L56-E60 WeakPolarHBondContact O-CB 3.33Å; L56-E60 WeakPolarHBondContact O-CG 3.38Å; L56-E60 PolarHBondContact O-N 2.94Å
57	T	86	Confident	81.6	Confident	7 Å²	7	69.8 Å²	69.8	4%	0.043	37%	0.365	C	S	.	.	H	α-helix	trans	-61.9	-50.1	172.5	-62.2	0	0	0	0	110	F53 F59 E60 Q61	F53-T57 WeakPolarHBondContact O-CB 3.46Å; F53-T57 PolarHBondContact O-N 2.77Å; F53-T57 PolarHBondContact O-OG1 3.5Å; T57-F59 VanDerWaalsContact C-N 3.31Å; T57-F59 PolarHBondContact O-N 3.48Å; T57-E60 PolarHBondContact O-N 3.42Å; T57-Q61 HydrophobicContact CG2-CG 4.28Å; T57-Q61 VanDerWaalsContact O-CG 3.22Å; T57-Q61 WeakPolarHBondContact O-CG 3.36Å; T57-Q61 PolarHBondContact O-N 2.96Å
58	L	85.6	Confident	82.3	Confident	63 Å²	63	68.5 Å²	68.5	33%	0.33	36%	0.362	S	S	.	.	H	α-helix	trans	-58.7	-43.1	176.9	-72.9	173.6	0	0	0	111.9	L54 E60 Q61 F62 L98	L54-L58 HydrophobicContact CD1-CD1 4.13Å; L54-L58 HydrophobicContact CD1-CG 4.44Å; L54-L58 HydrophobicContact CG-CD1 3.97Å; L54-L58 WeakPolarHBondContact O-CB 3.3Å; L54-L58 VanDerWaalsContact O-CG 3.24Å; L54-L58 WeakPolarHBondContact O-CG 3.24Å; L54-L58 PolarHBondContact O-N 3.17Å; L58-E60 PolarHBondContact O-N 3.25Å; L58-Q61 WeakPolarHBondContact O-CB 3.17Å; L58-Q61 PolarHBondContact O-N 3.33Å; L58-F62 HydrophobicContact CB-CD2 4.47Å; L58-F62 HydrophobicContact CD2-CE2 4.25Å; L58-F62 WeakPolarHBondContact O-CD2 3.11Å; L58-F62 PolarHBondContact O-N 3.32Å; L58-L98 HydrophobicContact CD2-CD1 4.46Å
59	F	86.1	Confident	82.5	Confident	136 Å²	136	69.9 Å²	69.9	60%	0.596	37%	0.368	S	S	*	.	H	α-helix	trans	-58.8	-47.7	175.3	-178.8	-108.8	0	0	0	112	P55 L56 T57 Q61 F62 Q63	P55-F59 VanDerWaalsContact O-CB 3.25Å; P55-F59 WeakPolarHBondContact O-CB 3.33Å; P55-F59 PolarHBondContact O-N 2.99Å; L56-F59 PolarHBondContact O-N 3.08Å; T57-F59 VanDerWaalsContact C-N 3.31Å; T57-F59 PolarHBondContact O-N 3.48Å; F59-Q61 VanDerWaalsContact C-N 3.32Å; F59-Q61 PolarHBondContact O-N 2.91Å; F59-F62 PolarHBondContact O-N 3.45Å; F59-Q63 WeakPolarHBondContact O-CG 3.45Å; F59-Q63 PolarHBondContact O-N 3Å
60	E	80.1	Confident	82.6	Confident	58 Å²	58	67.8 Å²	67.8	27%	0.271	35%	0.353	S	S	.	.	H	α-helix	trans	-63.2	-35.6	175.8	-74.2	-179.1	162.5	0	0	112.7	Y48 L56 T57 L58	Y48-E60 PolarHBondContact OH-OE2 2.88Å; L56-E60 WeakPolarHBondContact O-CB 3.33Å; L56-E60 WeakPolarHBondContact O-CG 3.38Å; L56-E60 PolarHBondContact O-N 2.94Å; T57-E60 PolarHBondContact O-N 3.42Å; L58-E60 PolarHBondContact O-N 3.25Å
61	Q	82.2	Confident	82.9	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-65.8	-45.2	174.6	-66.7	-54.2	-37.2	0	0	111.2	T57 L58 F59 Q63 R64 N67 L98 R101 D105	T57-Q61 HydrophobicContact CG2-CG 4.28Å; T57-Q61 VanDerWaalsContact O-CG 3.22Å; T57-Q61 WeakPolarHBondContact O-CG 3.36Å; T57-Q61 PolarHBondContact O-N 2.96Å; L58-Q61 WeakPolarHBondContact O-CB 3.17Å; L58-Q61 PolarHBondContact O-N 3.33Å; F59-Q61 VanDerWaalsContact C-N 3.32Å; F59-Q61 PolarHBondContact O-N 2.91Å; Q61-Q63 VanDerWaalsContact C-N 3.29Å; Q61-Q63 PolarHBondContact O-N 3.15Å; Q61-R64 WeakPolarHBondContact O-CB 2.93Å; Q61-R64 PolarHBondContact O-N 3.23Å; Q61-N67 PolarHBondContact O-ND2 2.99Å; Q61-L98 HydrophobicContact CB-CD2 3.72Å; Q61-L98 HydrophobicContact CG-CD2 3.94Å; Q61-R101 VanDerWaalsContact CD-CZ 3.46Å; Q61-D105 PolarHBondContact NE2-OD2 3.04Å
62	F	83.3	Confident	83.1	Confident	54 Å²	54	61.2 Å²	61.2	24%	0.237	32%	0.318	C	S	.	.	H	α-helix	trans	-78.8	-6.7	-179.6	-73.9	-63.9	0	0	0	114.1	L58 F59 R64 N67 I68 L71 L98	L58-F62 HydrophobicContact CB-CD2 4.47Å; L58-F62 HydrophobicContact CD2-CE2 4.25Å; L58-F62 WeakPolarHBondContact O-CD2 3.11Å; L58-F62 PolarHBondContact O-N 3.32Å; F59-F62 PolarHBondContact O-N 3.45Å; F62-R64 PolarHBondContact O-N 3.44Å; F62-N67 HydrophobicContact CD1-CB 3.94Å; F62-N67 HydrophobicContact CE1-CB 4.23Å; F62-I68 WeakPolarHBondContact O-CD1 3.19Å; F62-I68 WeakPolarHBondContact O-CG1 3.31Å; F62-L71 HydrophobicContact CD1-CD2 4.25Å; F62-L71 HydrophobicContact CE1-CB 4Å; F62-L71 HydrophobicContact CE1-CD1 4.47Å; F62-L71 HydrophobicContact CE1-CD2 3.91Å; F62-L71 HydrophobicContact CE1-CG 4.36Å; F62-L71 HydrophobicContact CZ-CD1 4.48Å; F62-L71 HydrophobicContact CZ-CD2 4.32Å; F62-L98 HydrophobicContact CZ-CD1 4.07Å
63	Q	79.7	Confident	83.3	Confident	128 Å²	128	58.9 Å²	58.9	60%	0.598	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.1	163.6	-75.8	179.8	0.1	0	0	112.8	F59 Q61	F59-Q63 WeakPolarHBondContact O-CG 3.45Å; F59-Q63 PolarHBondContact O-N 3Å; Q61-Q63 VanDerWaalsContact C-N 3.29Å; Q61-Q63 PolarHBondContact O-N 3.15Å
64	R	75.1	Confident	83.3	Confident	78 Å²	78	57.6 Å²	57.6	29%	0.294	30%	0.299	S	S	.	.	S	Bend	trans	-80.9	122.7	174.1	-63.2	-170.6	173.3	-170.8	3	109.8	Q61 F62 A66 N67 I68 R101 E363	Q61-R64 WeakPolarHBondContact O-CB 2.93Å; Q61-R64 PolarHBondContact O-N 3.23Å; F62-R64 PolarHBondContact O-N 3.44Å; R64-A66 PolarHBondContact O-N 3Å; R64-A66 VanDerWaalsContact O-N 3.12Å; R64-N67 PolarHBondContact O-N 3.15Å; R64-I68 PolarHBondContact O-N 2.93Å; R64-R101 VanDerWaalsContact CD-NH1 3.33Å; R64-R101 VanDerWaalsContact NE-NH2 3.13Å; R64-R101 VanDerWaalsContact NH1-CZ 3.33Å; R64-E363 IonicContact CZ-OE1 3.79Å; R64-E363 IonicContact NH1-OE1 3.87Å; R64-E363 PolarHBondContact NH1-OE1 2.92Å; R64-E363 IonicContact NH2-OE1 3.68Å; R64-E363 PolarHBondContact NH2-OE1 2.97Å
65	A	74.6	Confident	83.4	Confident	78 Å²	78	56.5 Å²	56.5	65%	0.645	30%	0.296	S	S	*	.	H	α-helix	trans	-53.7	-35.4	-178	0	0	0	0	0	114	I68 Y69	A65-I68 PolarHBondContact O-N 2.99Å; A65-Y69 PolarHBondContact O-N 3.09Å
66	A	76	Confident	83.5	Confident	12 Å²	12	54 Å²	54	10%	0.099	28%	0.279	C	S	.	.	H	α-helix	trans	-63.2	-42.2	177.1	0	0	0	0	0	112.7	R64 I68 Y69 F70 Y359	R64-A66 PolarHBondContact O-N 3Å; R64-A66 VanDerWaalsContact O-N 3.12Å; A66-I68 VanDerWaalsContact C-N 3.33Å; A66-I68 PolarHBondContact O-N 3.08Å; A66-Y69 WeakPolarHBondContact O-CB 3.22Å; A66-Y69 PolarHBondContact O-N 3.19Å; A66-F70 HydrophobicContact CB-CE2 4.19Å; A66-F70 WeakPolarHBondContact O-CD2 3.07Å; A66-F70 WeakPolarHBondContact O-CE2 3.14Å; A66-F70 PolarHBondContact O-N 3.5Å; A66-Y359 HydrophobicContact CB-CD2 4.12Å; A66-Y359 HydrophobicContact CB-CE1 4.46Å; A66-Y359 HydrophobicContact CB-CE2 3.39Å
67	N	81.1	Confident	83.7	Confident	8 Å²	8	50.7 Å²	50.7	4%	0.043	26%	0.262	C	S	.	.	H	α-helix	trans	-68.2	-35.3	179.2	-69.9	-15.8	0	0	0	111.4	Q61 F62 R64 F70 L71	Q61-N67 PolarHBondContact O-ND2 2.99Å; F62-N67 HydrophobicContact CD1-CB 3.94Å; F62-N67 HydrophobicContact CE1-CB 4.23Å; R64-N67 PolarHBondContact O-N 3.15Å; N67-F70 PolarHBondContact O-N 3.4Å; N67-L71 WeakPolarHBondContact O-CB 3.39Å; N67-L71 PolarHBondContact O-N 3.03Å
68	I	83.9	Confident	83.8	Confident	89 Å²	89	54 Å²	54	46%	0.456	28%	0.284	S	S	.	.	H	α-helix	trans	-62.5	-45.3	171.6	-58	176.8	0	0	0	110.3	F62 R64 A65 A66 F70 L71 L72	F62-I68 WeakPolarHBondContact O-CD1 3.19Å; F62-I68 WeakPolarHBondContact O-CG1 3.31Å; R64-I68 PolarHBondContact O-N 2.93Å; A65-I68 PolarHBondContact O-N 2.99Å; A66-I68 VanDerWaalsContact C-N 3.33Å; A66-I68 PolarHBondContact O-N 3.08Å; I68-F70 PolarHBondContact O-N 3.11Å; I68-L71 PolarHBondContact O-N 2.95Å; I68-L72 WeakPolarHBondContact O-CB 3.16Å; I68-L72 PolarHBondContact O-N 2.79Å
69	Y	83.6	Confident	83.9	Confident	36 Å²	36	54.2 Å²	54.2	14%	0.141	29%	0.288	C	S	.	.	H	α-helix	trans	-58.1	-46.6	178.1	171.3	-88.3	0	0	0	111.8	A65 A66 L72 M73 V298 M354	A65-Y69 PolarHBondContact O-N 3.09Å; A66-Y69 WeakPolarHBondContact O-CB 3.22Å; A66-Y69 PolarHBondContact O-N 3.19Å; Y69-L72 WeakPolarHBondContact O-CB 3.34Å; Y69-L72 PolarHBondContact O-N 3.41Å; Y69-M73 HydrophobicContact CD1-CG 4.21Å; Y69-M73 HydrophobicContact CD2-CE 4.07Å; Y69-M73 HydrophobicContact CE1-CE 4.21Å; Y69-M73 HydrophobicContact CE1-CG 3.73Å; Y69-M73 HydrophobicContact CE2-CE 3.27Å; Y69-M73 HydrophobicContact CE2-CG 4.38Å; Y69-M73 WeakPolarHBondContact O-CG 3.5Å; Y69-M73 PolarHBondContact O-N 2.94Å; Y69-M73 WeakPolarHBondContact OH-CE 3.27Å; Y69-V298 HydrophobicContact CE2-CG2 4.39Å; Y69-M354 HydrophobicContact CD1-CB 4.42Å; Y69-M354 HydrophobicContact CD1-CG 4.24Å; Y69-M354 HydrophobicContact CE1-CB 3.7Å; Y69-M354 HydrophobicContact CE1-CG 3.46Å; Y69-M354 VanDerWaalsContact CE1-CG 3.46Å; Y69-M354 HydrophobicContact CE2-CG 4.38Å; Y69-M354 WeakPolarHBondContact OH-CG 3.13Å
70	F	83.2	Confident	83.8	Confident	6 Å²	6	53.4 Å²	53.4	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	-68.9	-35.4	179	-62.3	-55	0	0	0	112.9	A66 N67 I68 L72 M73 V74 L94 M354 I356	A66-F70 HydrophobicContact CB-CE2 4.19Å; A66-F70 WeakPolarHBondContact O-CD2 3.07Å; A66-F70 WeakPolarHBondContact O-CE2 3.14Å; A66-F70 PolarHBondContact O-N 3.5Å; N67-F70 PolarHBondContact O-N 3.4Å; I68-F70 PolarHBondContact O-N 3.11Å; F70-L72 VanDerWaalsContact C-N 3.33Å; F70-M73 PolarHBondContact O-N 3.19Å; F70-V74 WeakPolarHBondContact O-CG2 3.4Å; F70-V74 PolarHBondContact O-N 3.01Å; F70-L94 HydrophobicContact CB-CD1 4.14Å; F70-L94 HydrophobicContact CB-CD2 4.27Å; F70-M354 HydrophobicContact CE1-CB 3.77Å; F70-M354 HydrophobicContact CZ-CB 3.91Å; F70-I356 HydrophobicContact CD1-CD1 3.5Å; F70-I356 HydrophobicContact CD1-CG1 3.32Å; F70-I356 HydrophobicContact CD2-CD1 4.49Å; F70-I356 HydrophobicContact CD2-CG1 3.73Å; F70-I356 HydrophobicContact CE1-CB 4.31Å; F70-I356 HydrophobicContact CE1-CD1 3.63Å; F70-I356 HydrophobicContact CE1-CG1 3.01Å; F70-I356 HydrophobicContact CE2-CB 4.08Å; F70-I356 HydrophobicContact CE2-CG1 3.45Å; F70-I356 VanDerWaalsContact CE2-CG1 3.45Å; F70-I356 HydrophobicContact CE2-CG2 4.45Å; F70-I356 HydrophobicContact CG-CD1 4Å; F70-I356 HydrophobicContact CG-CG1 3.69Å; F70-I356 HydrophobicContact CZ-CB 3.98Å; F70-I356 HydrophobicContact CZ-CD1 4.2Å; F70-I356 HydrophobicContact CZ-CG1 3.09Å
71	L	86.3	Confident	83.8	Confident	78 Å²	78	53.8 Å²	53.8	41%	0.408	31%	0.309	S	S	.	.	H	α-helix	trans	-61	-45	172.2	-175.9	67.1	0	0	0	111	F62 N67 I68 M73 V74 V75	F62-L71 HydrophobicContact CD1-CD2 4.25Å; F62-L71 HydrophobicContact CE1-CB 4Å; F62-L71 HydrophobicContact CE1-CD1 4.47Å; F62-L71 HydrophobicContact CE1-CD2 3.91Å; F62-L71 HydrophobicContact CE1-CG 4.36Å; F62-L71 HydrophobicContact CZ-CD1 4.48Å; F62-L71 HydrophobicContact CZ-CD2 4.32Å; N67-L71 WeakPolarHBondContact O-CB 3.39Å; N67-L71 PolarHBondContact O-N 3.03Å; I68-L71 PolarHBondContact O-N 2.95Å; L71-M73 VanDerWaalsContact C-N 3.32Å; L71-M73 PolarHBondContact O-N 2.81Å; L71-V74 PolarHBondContact O-N 3.48Å; L71-V75 WeakPolarHBondContact O-CG2 3.16Å; L71-V75 PolarHBondContact O-N 3.41Å
72	L	87.8	Confident	84.1	Confident	95 Å²	95	54.3 Å²	54.3	50%	0.497	31%	0.312	S	S	.	.	H	α-helix	trans	-61.2	-41.4	175.5	-175.3	69.8	0	0	0	111.4	I68 Y69 F70 V75 L76	I68-L72 WeakPolarHBondContact O-CB 3.16Å; I68-L72 PolarHBondContact O-N 2.79Å; Y69-L72 WeakPolarHBondContact O-CB 3.34Å; Y69-L72 PolarHBondContact O-N 3.41Å; F70-L72 VanDerWaalsContact C-N 3.33Å; L72-V75 PolarHBondContact O-N 2.74Å; L72-L76 HydrophobicContact CG-CD1 4.18Å; L72-L76 VanDerWaalsContact O-CG 3.31Å; L72-L76 WeakPolarHBondContact O-CG 3.23Å; L72-L76 PolarHBondContact O-N 3.26Å
73	M	87.2	Confident	84.1	Confident	7 Å²	7	53.8 Å²	53.8	3%	0.034	32%	0.315	C	S	.	.	H	α-helix	trans	-62.9	-41.3	176.2	-71.7	-59.6	154.9	0	0	112.6	Y69 F70 L71 V75 L76 Q77 I347	Y69-M73 HydrophobicContact CD1-CG 4.21Å; Y69-M73 HydrophobicContact CD2-CE 4.07Å; Y69-M73 HydrophobicContact CE1-CE 4.21Å; Y69-M73 HydrophobicContact CE1-CG 3.73Å; Y69-M73 HydrophobicContact CE2-CE 3.27Å; Y69-M73 HydrophobicContact CE2-CG 4.38Å; Y69-M73 WeakPolarHBondContact O-CG 3.5Å; Y69-M73 PolarHBondContact O-N 2.94Å; Y69-M73 WeakPolarHBondContact OH-CE 3.27Å; F70-M73 PolarHBondContact O-N 3.19Å; L71-M73 VanDerWaalsContact C-N 3.32Å; L71-M73 PolarHBondContact O-N 2.81Å; M73-V75 VanDerWaalsContact C-N 3.34Å; M73-L76 PolarHBondContact O-N 2.84Å; M73-L76 HydrophobicContact SD-CD1 4.26Å; M73-Q77 WeakPolarHBondContact O-CB 3.42Å; M73-Q77 VanDerWaalsContact O-CG 3.29Å; M73-Q77 WeakPolarHBondContact O-CG 3.39Å; M73-Q77 PolarHBondContact O-N 3.37Å; M73-I347 HydrophobicContact CE-CG2 3.27Å; M73-I347 HydrophobicContact SD-CG2 3.89Å
74	V	88.1	Confident	84.2	Confident	13 Å²	13	49.2 Å²	49.2	8%	0.079	30%	0.297	C	S	.	.	H	α-helix	trans	-61.4	-44.4	174.6	170.5	0	0	0	0	110.6	F70 L71 L76 Q77 C78 T90 I91	F70-V74 WeakPolarHBondContact O-CG2 3.4Å; F70-V74 PolarHBondContact O-N 3.01Å; L71-V74 PolarHBondContact O-N 3.48Å; V74-L76 VanDerWaalsContact C-N 3.33Å; V74-L76 PolarHBondContact O-N 3.46Å; V74-Q77 PolarHBondContact O-N 2.97Å; V74-C78 PolarHBondContact O-N 3.02Å; V74-C78 PolarHBondContact O-SG 3.44Å; V74-T90 HydrophobicContact CG2-CG2 3.8Å; V74-I91 HydrophobicContact CG1-CB 4.42Å; V74-I91 HydrophobicContact CG1-CD1 4.14Å; V74-I91 HydrophobicContact CG1-CG1 4.5Å; V74-I91 HydrophobicContact CG2-CB 4.16Å
75	V	90.2	Very high	84.6	Confident	88 Å²	88	45.7 Å²	45.7	53%	0.533	28%	0.284	S	S	.	.	H	α-helix	trans	-61.2	-41.9	177.1	172.7	0	0	0	0	111.4	L71 L72 M73 C78	L71-V75 WeakPolarHBondContact O-CG2 3.16Å; L71-V75 PolarHBondContact O-N 3.41Å; L72-V75 PolarHBondContact O-N 2.74Å; M73-V75 VanDerWaalsContact C-N 3.34Å; V75-C78 WeakPolarHBondContact O-CB 3.4Å; V75-C78 PolarHBondContact O-N 3.48Å
76	L	88.9	Confident	85.1	Confident	27 Å²	27	43.3 Å²	43.3	14%	0.141	26%	0.262	C	S	.	.	H	α-helix	trans	-66.9	-40.7	176.4	-69.6	168.7	0	0	0	112	L72 M73 V74 C78 V79 I82 W344 I348	L72-L76 HydrophobicContact CG-CD1 4.18Å; L72-L76 VanDerWaalsContact O-CG 3.31Å; L72-L76 WeakPolarHBondContact O-CG 3.23Å; L72-L76 PolarHBondContact O-N 3.26Å; M73-L76 PolarHBondContact O-N 2.84Å; M73-L76 HydrophobicContact SD-CD1 4.26Å; V74-L76 VanDerWaalsContact C-N 3.33Å; V74-L76 PolarHBondContact O-N 3.46Å; L76-C78 PolarHBondContact O-N 3.42Å; L76-V79 PolarHBondContact O-N 2.89Å; L76-V79 VanDerWaalsContact O-N 3.11Å; L76-I82 HydrophobicContact CB-CD1 4.27Å; L76-I82 HydrophobicContact CD2-CD1 4.19Å; L76-I82 WeakPolarHBondContact O-CD1 3.43Å; L76-W344 HydrophobicContact CD1-CE3 3.88Å; L76-W344 HydrophobicContact CD1-CZ3 3.74Å; L76-W344 HydrophobicContact CD2-CE3 4Å; L76-W344 HydrophobicContact CD2-CZ3 4.09Å; L76-I348 HydrophobicContact CB-CD1 4.23Å
77	Q	88.9	Confident	85.5	Confident	3 Å²	3	48.9 Å²	48.9	1%	0.014	28%	0.281	C	S	.	.	H	α-helix	trans	-65.4	-20.6	178.2	-77.8	172.4	-19.9	0	0	113.9	M73 V74 V79 S83 W87 T90 I348	M73-Q77 WeakPolarHBondContact O-CB 3.42Å; M73-Q77 VanDerWaalsContact O-CG 3.29Å; M73-Q77 WeakPolarHBondContact O-CG 3.39Å; M73-Q77 PolarHBondContact O-N 3.37Å; V74-Q77 PolarHBondContact O-N 2.97Å; Q77-V79 PolarHBondContact O-N 3.11Å; Q77-S83 WeakPolarHBondContact O-CB 3.38Å; Q77-S83 PolarHBondContact O-OG 2.88Å; Q77-W87 HydrophobicContact CB-CB 3.95Å; Q77-T90 PolarHBondContact NE2-OG1 2.77Å; Q77-T90 VanDerWaalsContact OE1-CB 3.23Å; Q77-T90 PolarHBondContact OE1-OG1 2.84Å; Q77-I348 HydrophobicContact CG-CD1 4.11Å; Q77-I348 HydrophobicContact CG-CG1 4.14Å; Q77-I348 HydrophobicContact CG-CG2 3.64Å
78	C	87.4	Confident	85.7	Confident	75 Å²	75	50.5 Å²	50.5	51%	0.507	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-15.8	173.9	-69.6	0	0	0	0	113.3	V74 V75 L76 P80	V74-C78 PolarHBondContact O-N 3.02Å; V74-C78 PolarHBondContact O-SG 3.44Å; V75-C78 WeakPolarHBondContact O-CB 3.4Å; V75-C78 PolarHBondContact O-N 3.48Å; L76-C78 PolarHBondContact O-N 3.42Å; C78-P80 VanDerWaalsContact O-CD 3.3Å; C78-P80 WeakPolarHBondContact O-CD 3.41Å
79	V	88.6	Confident	85.6	Confident	68 Å²	68	47 Å²	47	41%	0.412	27%	0.269	S	S	.	.			trans	-86.9	110.7	179.3	179.9	0	0	0	0	109.3	L76 Q77 A81 I82 S83	L76-V79 PolarHBondContact O-N 2.89Å; L76-V79 VanDerWaalsContact O-N 3.11Å; Q77-V79 PolarHBondContact O-N 3.11Å; V79-A81 VanDerWaalsContact C-N 3.26Å; V79-A81 HydrophobicContact CG1-CB 4.48Å; V79-A81 PolarHBondContact O-N 2.75Å; V79-A81 VanDerWaalsContact O-N 3.17Å; V79-I82 HydrophobicContact CB-CD1 3.9Å; V79-I82 HydrophobicContact CB-CG1 3.69Å; V79-I82 HydrophobicContact CG1-CD1 4.25Å; V79-I82 HydrophobicContact CG1-CG1 3.89Å; V79-I82 HydrophobicContact CG2-CD1 4.44Å; V79-I82 WeakPolarHBondContact O-CG1 3.2Å; V79-I82 PolarHBondContact O-N 3.43Å; V79-S83 WeakPolarHBondContact O-CB 3.31Å; V79-S83 PolarHBondContact O-N 2.93Å
80	P	83.2	Confident	85.5	Confident	119 Å²	119	45.7 Å²	45.7	77%	0.773	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-31.1	-171.6	-24.9	35.5	0	0	0	114.2	C78 I82 S83	C78-P80 VanDerWaalsContact O-CD 3.3Å; C78-P80 WeakPolarHBondContact O-CD 3.41Å; P80-I82 PolarHBondContact O-N 2.61Å; P80-S83 PolarHBondContact O-N 2.85Å
81	A	81.3	Confident	85.6	Confident	66 Å²	66	47.6 Å²	47.6	55%	0.545	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-17.8	-177.7	0	0	0	0	0	114.6	V79	V79-A81 VanDerWaalsContact C-N 3.26Å; V79-A81 HydrophobicContact CG1-CB 4.48Å; V79-A81 PolarHBondContact O-N 2.75Å; V79-A81 VanDerWaalsContact O-N 3.17Å
82	I	86.8	Confident	85.4	Confident	13 Å²	13	48.3 Å²	48.3	7%	0.067	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120	-4.5	-179.4	59.5	171.3	0	0	0	112.6	L76 V79 P80 S84 L341 W344 S345 I348	L76-I82 HydrophobicContact CB-CD1 4.27Å; L76-I82 HydrophobicContact CD2-CD1 4.19Å; L76-I82 WeakPolarHBondContact O-CD1 3.43Å; V79-I82 HydrophobicContact CB-CD1 3.9Å; V79-I82 HydrophobicContact CB-CG1 3.69Å; V79-I82 HydrophobicContact CG1-CD1 4.25Å; V79-I82 HydrophobicContact CG1-CG1 3.89Å; V79-I82 HydrophobicContact CG2-CD1 4.44Å; V79-I82 WeakPolarHBondContact O-CG1 3.2Å; V79-I82 PolarHBondContact O-N 3.43Å; P80-I82 PolarHBondContact O-N 2.61Å; I82-S84 PolarHBondContact O-N 2.89Å; I82-S84 VanDerWaalsContact O-N 3.12Å; I82-L341 HydrophobicContact CG2-CB 4.44Å; I82-L341 HydrophobicContact CG2-CD2 3.76Å; I82-W344 HydrophobicContact CB-CB 4.03Å; I82-W344 HydrophobicContact CD1-CB 4.02Å; I82-W344 HydrophobicContact CG2-CB 3.88Å; I82-S345 WeakPolarHBondContact CA-OG 3.49Å; I82-S345 WeakPolarHBondContact O-CA 3.17Å; I82-S345 PolarHBondContact O-OG 2.84Å; I82-I348 HydrophobicContact CD1-CD1 4.22Å; I82-I348 HydrophobicContact CG1-CD1 4.18Å; I82-I348 WeakPolarHBondContact O-CD1 3.31Å
83	S	84.9	Confident	84.9	Confident	42 Å²	42	45.1 Å²	45.1	29%	0.294	26%	0.262	S	S	.	.			trans	-79.9	99.5	-171.3	-162	0	0	0	0	110.7	Q77 V79 P80 I85	Q77-S83 WeakPolarHBondContact O-CB 3.38Å; Q77-S83 PolarHBondContact O-OG 2.88Å; V79-S83 WeakPolarHBondContact O-CB 3.31Å; V79-S83 PolarHBondContact O-N 2.93Å; P80-S83 PolarHBondContact O-N 2.85Å; S83-I85 PolarHBondContact OG-O 3.02Å; S83-I85 VanDerWaalsContact OG-O 3.08Å
84	S	81.7	Confident	84.7	Confident	32 Å²	32	45.1 Å²	45.1	22%	0.224	26%	0.262	C	S	.	.	S	Bend	trans	-84.6	-18.7	172.1	53.9	0	0	0	0	113	I82 S345 I348 L349	I82-S84 PolarHBondContact O-N 2.89Å; I82-S84 VanDerWaalsContact O-N 3.12Å; S84-S345 PolarHBondContact OG-O 2.93Å; S84-I348 WeakPolarHBondContact OG-CG2 3.13Å; S84-L349 PolarHBondContact OG-N 3.23Å
85	I	82.7	Confident	84.5	Confident	5 Å²	5	49 Å²	49	3%	0.026	28%	0.282	C	S	.	.	S	Bend	trans	-135.1	133.8	179	-56.6	176.5	0	0	0	108.4	S83 W87 I89 I348 L349 P352 I932	S83-I85 PolarHBondContact OG-O 3.02Å; S83-I85 VanDerWaalsContact OG-O 3.08Å; I85-W87 PolarHBondContact O-N 2.9Å; I85-I89 HydrophobicContact CG2-CB 4.05Å; I85-I89 HydrophobicContact CG2-CD1 3.67Å; I85-I89 HydrophobicContact CG2-CG1 4.43Å; I85-I89 HydrophobicContact CG2-CG2 4.16Å; I85-I348 HydrophobicContact CB-CG2 4.22Å; I85-I348 HydrophobicContact CG1-CG2 4.42Å; I85-L349 HydrophobicContact CD1-CD1 4.29Å; I85-L349 HydrophobicContact CG1-CD1 4.39Å; I85-P352 HydrophobicContact CD1-CG 4.4Å; I85-I932 HydrophobicContact CD1-CD1 4.23Å
86	P	84.7	Confident	84.1	Confident	28 Å²	28	48.3 Å²	48.3	18%	0.182	28%	0.278	C	S	.	.			trans	-54.7	137.3	176.1	-24.9	31.3	0	0	0	114.1	Y88 I89 T929	P86-Y88 HydrophobicContact CB-CD1 3.74Å; P86-Y88 HydrophobicContact CB-CD2 4.31Å; P86-Y88 HydrophobicContact CB-CE1 3.26Å; P86-Y88 HydrophobicContact CB-CE2 3.87Å; P86-Y88 HydrophobicContact CB-CG 4.24Å; P86-Y88 HydrophobicContact CG-CE1 4.06Å; P86-Y88 HydrophobicContact CG-CE2 4.41Å; P86-Y88 WeakPolarHBondContact CG-OH 3.41Å; P86-Y88 PolarHBondContact O-N 2.62Å; P86-Y88 VanDerWaalsContact O-N 3.13Å; P86-I89 HydrophobicContact CB-CD1 4.4Å; P86-I89 HydrophobicContact CG-CD1 4.27Å; P86-I89 WeakPolarHBondContact O-CB 3.31Å; P86-I89 PolarHBondContact O-N 3.48Å; P86-I89 VanDerWaalsContact O-N 3.11Å; P86-T929 VanDerWaalsContact CD-CG2 3.48Å; P86-T929 HydrophobicContact CG-CG2 3.7Å
87	W	85.5	Confident	83.5	Confident	129 Å²	129	47.5 Å²	47.5	49%	0.489	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-30.9	-178.1	63.5	-91.2	0	0	0	113.9	Q77 I85 I89 T90 I91	Q77-W87 HydrophobicContact CB-CB 3.95Å; I85-W87 PolarHBondContact O-N 2.9Å; W87-I89 PolarHBondContact O-N 3.45Å; W87-T90 PolarHBondContact O-N 2.83Å; W87-I91 HydrophobicContact CE3-CB 4.5Å; W87-I91 HydrophobicContact CE3-CG2 3.78Å; W87-I91 HydrophobicContact CZ3-CD1 4.4Å; W87-I91 HydrophobicContact CZ3-CG2 3.76Å; W87-I91 PolarHBondContact O-N 2.77Å
88	Y	84.5	Confident	83.3	Confident	42 Å²	42	48.5 Å²	48.5	17%	0.165	28%	0.279	C	S	.	.	H	α-helix	trans	-66.8	-23.5	-177.8	56.3	-105.9	0	0	0	112.8	P86 T90 I92 W930 D1069	P86-Y88 HydrophobicContact CB-CD1 3.74Å; P86-Y88 HydrophobicContact CB-CD2 4.31Å; P86-Y88 HydrophobicContact CB-CE1 3.26Å; P86-Y88 HydrophobicContact CB-CE2 3.87Å; P86-Y88 HydrophobicContact CB-CG 4.24Å; P86-Y88 HydrophobicContact CG-CE1 4.06Å; P86-Y88 HydrophobicContact CG-CE2 4.41Å; P86-Y88 WeakPolarHBondContact CG-OH 3.41Å; P86-Y88 PolarHBondContact O-N 2.62Å; P86-Y88 VanDerWaalsContact O-N 3.13Å; Y88-T90 VanDerWaalsContact C-N 3.31Å; Y88-T90 PolarHBondContact O-N 3.16Å; Y88-I92 WeakPolarHBondContact O-CB 3.39Å; Y88-I92 WeakPolarHBondContact O-CD1 3.46Å; Y88-I92 VanDerWaalsContact O-CG1 3.24Å; Y88-I92 WeakPolarHBondContact O-CG1 3.26Å; Y88-I92 PolarHBondContact O-N 3.14Å; Y88-W930 HydrophobicContact CE2-CH2 4.12Å; Y88-W930 AromaticContact CE2-CZ2 3.95Å; Y88-W930 HydrophobicContact CE2-CZ2 3.95Å; Y88-D1069 PolarHBondContact OH-OD1 3.08Å
89	I	81.4	Confident	83.2	Confident	16 Å²	16	48.1 Å²	48.1	8%	0.082	28%	0.277	C	S	.	.	H	α-helix	trans	-68.8	-30.4	178.9	-71.4	170.2	0	0	0	112.2	I85 P86 W87 P93 T929 A933	I85-I89 HydrophobicContact CG2-CB 4.05Å; I85-I89 HydrophobicContact CG2-CD1 3.67Å; I85-I89 HydrophobicContact CG2-CG1 4.43Å; I85-I89 HydrophobicContact CG2-CG2 4.16Å; P86-I89 HydrophobicContact CB-CD1 4.4Å; P86-I89 HydrophobicContact CG-CD1 4.27Å; P86-I89 WeakPolarHBondContact O-CB 3.31Å; P86-I89 PolarHBondContact O-N 3.48Å; P86-I89 VanDerWaalsContact O-N 3.11Å; W87-I89 PolarHBondContact O-N 3.45Å; I89-P93 WeakPolarHBondContact O-CD 3.44Å; I89-P93 WeakPolarHBondContact O-CG 3.5Å; I89-T929 HydrophobicContact CD1-CG2 3.15Å; I89-A933 HydrophobicContact CG1-CB 4.17Å; I89-A933 HydrophobicContact CG2-CB 3.72Å
90	T	81.3	Confident	82.9	Confident	8 Å²	8	48 Å²	48	5%	0.049	28%	0.277	C	S	.	.	H	α-helix	trans	-90.7	-39.4	179.1	-47.9	0	0	0	0	111.4	V74 Q77 W87 Y88 L94 I356	V74-T90 HydrophobicContact CG2-CG2 3.8Å; Q77-T90 PolarHBondContact NE2-OG1 2.77Å; Q77-T90 VanDerWaalsContact OE1-CB 3.23Å; Q77-T90 PolarHBondContact OE1-OG1 2.84Å; W87-T90 PolarHBondContact O-N 2.83Å; Y88-T90 VanDerWaalsContact C-N 3.31Å; Y88-T90 PolarHBondContact O-N 3.16Å; T90-L94 WeakPolarHBondContact O-CB 3.47Å; T90-L94 PolarHBondContact O-N 3.15Å; T90-L94 VanDerWaalsContact O-N 3.17Å; T90-I356 HydrophobicContact CG2-CD1 4.04Å
91	I	85.5	Confident	82.7	Confident	45 Å²	45	44 Å²	44	23%	0.231	25%	0.246	C	C	.	.	H	α-helix	trans	-72	-35.7	-175.5	-159.2	168.6	0	0	0	112.9	V74 W87 L94 L95	V74-I91 HydrophobicContact CG1-CB 4.42Å; V74-I91 HydrophobicContact CG1-CD1 4.14Å; V74-I91 HydrophobicContact CG1-CG1 4.5Å; V74-I91 HydrophobicContact CG2-CB 4.16Å; W87-I91 HydrophobicContact CE3-CB 4.5Å; W87-I91 HydrophobicContact CE3-CG2 3.78Å; W87-I91 HydrophobicContact CZ3-CD1 4.4Å; W87-I91 HydrophobicContact CZ3-CG2 3.76Å; W87-I91 PolarHBondContact O-N 2.77Å; I91-L94 PolarHBondContact O-N 2.65Å; I91-L95 HydrophobicContact CG1-CD1 4.13Å; I91-L95 HydrophobicContact CG1-CG 4.18Å; I91-L95 WeakPolarHBondContact O-CB 3.41Å; I91-L95 WeakPolarHBondContact O-CG 2.9Å; I91-L95 PolarHBondContact O-N 2.83Å
92	I	83.1	Confident	82.9	Confident	94 Å²	94	41.2 Å²	41.2	48%	0.482	22%	0.224	S	C	.	.	H	α-helix	trans	-62.7	-53.2	-179.6	-69.9	168.3	0	0	0	110.1	Y88 L94 L95 V96	Y88-I92 WeakPolarHBondContact O-CB 3.39Å; Y88-I92 WeakPolarHBondContact O-CD1 3.46Å; Y88-I92 VanDerWaalsContact O-CG1 3.24Å; Y88-I92 WeakPolarHBondContact O-CG1 3.26Å; Y88-I92 PolarHBondContact O-N 3.14Å; I92-L94 VanDerWaalsContact C-N 3.32Å; I92-L94 PolarHBondContact O-N 2.85Å; I92-L95 PolarHBondContact O-N 2.8Å; I92-V96 WeakPolarHBondContact O-CG2 3.29Å; I92-V96 PolarHBondContact O-N 3.16Å
93	P	76.8	Confident	82.8	Confident	27 Å²	27	46.2 Å²	46.2	18%	0.175	25%	0.25	C	S	.	.	H	α-helix	trans	-56.2	-43.4	171.9	-26.6	35.6	0	0	0	112.7	I89 L95 V96 V97 I356 V937	I89-P93 WeakPolarHBondContact O-CD 3.44Å; I89-P93 WeakPolarHBondContact O-CG 3.5Å; P93-L95 PolarHBondContact O-N 2.86Å; P93-V96 WeakPolarHBondContact O-CB 3.27Å; P93-V96 PolarHBondContact O-N 3.44Å; P93-V97 WeakPolarHBondContact O-CG2 3.5Å; P93-V97 PolarHBondContact O-N 3.41Å; P93-I356 HydrophobicContact CB-CG2 4.43Å; P93-V937 HydrophobicContact CG-CG2 4.42Å
94	L	82.3	Confident	82.7	Confident	7 Å²	7	46.6 Å²	46.6	4%	0.037	25%	0.247	C	C	.	.	H	α-helix	trans	-60.9	-43.7	179.4	-176.9	63.1	0	0	0	112.5	F70 T90 I91 I92 V96 V97 L98	F70-L94 HydrophobicContact CB-CD1 4.14Å; F70-L94 HydrophobicContact CB-CD2 4.27Å; T90-L94 WeakPolarHBondContact O-CB 3.47Å; T90-L94 PolarHBondContact O-N 3.15Å; T90-L94 VanDerWaalsContact O-N 3.17Å; I91-L94 PolarHBondContact O-N 2.65Å; I92-L94 VanDerWaalsContact C-N 3.32Å; I92-L94 PolarHBondContact O-N 2.85Å; L94-V96 VanDerWaalsContact C-N 3.33Å; L94-V96 PolarHBondContact O-N 3.38Å; L94-V97 WeakPolarHBondContact O-CB 3.45Å; L94-V97 PolarHBondContact O-N 3.11Å; L94-L98 HydrophobicContact CD1-CD1 4.41Å; L94-L98 HydrophobicContact CD1-CG 4.43Å; L94-L98 HydrophobicContact CG-CD1 4.15Å; L94-L98 VanDerWaalsContact O-CG 3.3Å; L94-L98 WeakPolarHBondContact O-CG 3.32Å; L94-L98 PolarHBondContact O-N 3.05Å
95	L	85	Confident	82.7	Confident	94 Å²	94	46.4 Å²	46.4	49%	0.492	24%	0.243	S	C	.	.	H	α-helix	trans	-64.2	-39.6	176	-74.7	172.7	0	0	0	111.4	I91 I92 P93 L98 S99	I91-L95 HydrophobicContact CG1-CD1 4.13Å; I91-L95 HydrophobicContact CG1-CG 4.18Å; I91-L95 WeakPolarHBondContact O-CB 3.41Å; I91-L95 WeakPolarHBondContact O-CG 2.9Å; I91-L95 PolarHBondContact O-N 2.83Å; I92-L95 PolarHBondContact O-N 2.8Å; P93-L95 PolarHBondContact O-N 2.86Å; L95-L98 PolarHBondContact O-N 3.27Å; L95-S99 WeakPolarHBondContact O-CB 3.5Å; L95-S99 PolarHBondContact O-N 2.9Å; L95-S99 PolarHBondContact O-OG 3.25Å
96	V	81.5	Confident	82.8	Confident	75 Å²	75	48.6 Å²	48.6	46%	0.455	26%	0.255	S	S	.	.	H	α-helix	trans	-62.2	-44.2	173.7	173.5	0	0	0	0	110.7	I92 P93 L94 L98 S99 V100	I92-V96 WeakPolarHBondContact O-CG2 3.29Å; I92-V96 PolarHBondContact O-N 3.16Å; P93-V96 WeakPolarHBondContact O-CB 3.27Å; P93-V96 PolarHBondContact O-N 3.44Å; L94-V96 VanDerWaalsContact C-N 3.33Å; L94-V96 PolarHBondContact O-N 3.38Å; V96-L98 PolarHBondContact O-N 3.11Å; V96-S99 PolarHBondContact O-N 3.2Å; V96-V100 HydrophobicContact CG1-CG2 4.23Å; V96-V100 WeakPolarHBondContact O-CB 3.29Å; V96-V100 VanDerWaalsContact O-CG2 3.31Å; V96-V100 WeakPolarHBondContact O-CG2 3.49Å; V96-V100 PolarHBondContact O-N 3.03Å
97	V	77.5	Confident	82.8	Confident	10 Å²	10	49.8 Å²	49.8	6%	0.061	27%	0.267	C	S	.	.	H	α-helix	trans	-54.8	-55.2	174.8	178.7	0	0	0	0	110.5	P93 L94 S99 R101 I356 I360	P93-V97 WeakPolarHBondContact O-CG2 3.5Å; P93-V97 PolarHBondContact O-N 3.41Å; L94-V97 WeakPolarHBondContact O-CB 3.45Å; L94-V97 PolarHBondContact O-N 3.11Å; V97-S99 VanDerWaalsContact C-N 3.3Å; V97-S99 PolarHBondContact O-N 3.13Å; V97-R101 WeakPolarHBondContact O-CB 3.21Å; V97-R101 PolarHBondContact O-N 2.85Å; V97-R101 VanDerWaalsContact O-N 3.12Å; V97-I356 HydrophobicContact CG2-CG2 3.67Å; V97-I360 HydrophobicContact CB-CD1 3.92Å; V97-I360 HydrophobicContact CB-CG1 3.81Å; V97-I360 HydrophobicContact CG1-CD1 4.48Å; V97-I360 HydrophobicContact CG1-CG1 3.82Å; V97-I360 HydrophobicContact CG2-CD1 3.11Å; V97-I360 HydrophobicContact CG2-CG1 3.29Å
98	L	84	Confident	82.3	Confident	23 Å²	23	46.2 Å²	46.2	12%	0.12	26%	0.262	C	S	.	.	H	α-helix	trans	-64.8	-37.9	-174.4	-67.7	173.1	0	0	0	110.9	L58 Q61 F62 L94 L95 V96 G102	L58-L98 HydrophobicContact CD2-CD1 4.46Å; Q61-L98 HydrophobicContact CB-CD2 3.72Å; Q61-L98 HydrophobicContact CG-CD2 3.94Å; F62-L98 HydrophobicContact CZ-CD1 4.07Å; L94-L98 HydrophobicContact CD1-CD1 4.41Å; L94-L98 HydrophobicContact CD1-CG 4.43Å; L94-L98 HydrophobicContact CG-CD1 4.15Å; L94-L98 VanDerWaalsContact O-CG 3.3Å; L94-L98 WeakPolarHBondContact O-CG 3.32Å; L94-L98 PolarHBondContact O-N 3.05Å; L95-L98 PolarHBondContact O-N 3.27Å; V96-L98 PolarHBondContact O-N 3.11Å; L98-G102 PolarHBondContact O-N 3.28Å
99	S	85.1	Confident	82.2	Confident	67 Å²	67	44.3 Å²	44.3	47%	0.469	26%	0.255	S	S	.	.	H	α-helix	trans	-70.5	-50.5	179.8	-58.5	0	0	0	0	112.3	L95 V96 V97 R101 G102 L103	L95-S99 WeakPolarHBondContact O-CB 3.5Å; L95-S99 PolarHBondContact O-N 2.9Å; L95-S99 PolarHBondContact O-OG 3.25Å; V96-S99 PolarHBondContact O-N 3.2Å; V97-S99 VanDerWaalsContact C-N 3.3Å; V97-S99 PolarHBondContact O-N 3.13Å; S99-R101 PolarHBondContact O-N 2.93Å; S99-G102 PolarHBondContact O-N 3.21Å; S99-L103 WeakPolarHBondContact O-CB 3.42Å; S99-L103 WeakPolarHBondContact O-CG 3.08Å; S99-L103 PolarHBondContact O-N 2.86Å
100	V	82.3	Confident	82.4	Confident	66 Å²	66	47.6 Å²	47.6	40%	0.4	27%	0.27	S	S	.	.	H	α-helix	trans	-58.5	-41.9	178.9	169.8	0	0	0	0	110.4	V96 K104	V96-V100 HydrophobicContact CG1-CG2 4.23Å; V96-V100 WeakPolarHBondContact O-CB 3.29Å; V96-V100 VanDerWaalsContact O-CG2 3.31Å; V96-V100 WeakPolarHBondContact O-CG2 3.49Å; V96-V100 PolarHBondContact O-N 3.03Å; V100-K104 PolarHBondContact O-N 2.8Å; V100-K104 VanDerWaalsContact O-N 3.11Å
101	R	79.4	Confident	82.3	Confident	35 Å²	35	49.8 Å²	49.8	13%	0.132	29%	0.289	C	S	.	.	H	α-helix	trans	-73.1	-40.2	179.2	-169.1	158.6	166.4	-140.7	-20.5	113.1	Q61 R64 V97 S99 L103 K104 D105 E363	Q61-R101 VanDerWaalsContact CD-CZ 3.46Å; R64-R101 VanDerWaalsContact CD-NH1 3.33Å; R64-R101 VanDerWaalsContact NE-NH2 3.13Å; R64-R101 VanDerWaalsContact NH1-CZ 3.33Å; V97-R101 WeakPolarHBondContact O-CB 3.21Å; V97-R101 PolarHBondContact O-N 2.85Å; V97-R101 VanDerWaalsContact O-N 3.12Å; S99-R101 PolarHBondContact O-N 2.93Å; R101-L103 VanDerWaalsContact C-N 3.31Å; R101-L103 PolarHBondContact O-N 2.92Å; R101-K104 WeakPolarHBondContact O-CB 3.2Å; R101-K104 PolarHBondContact O-N 3.26Å; R101-D105 PolarHBondContact O-N 2.93Å; R101-E363 IonicContact NE-OE1 2.82Å
102	G	84.8	Confident	81.9	Confident	8 Å²	8	51.9 Å²	51.9	8%	0.082	29%	0.294	C	S	.	.	H	α-helix	trans	-57.2	-44.5	172	0	0	0	0	0	111.8	F53 L98 S99 K104 D105 L106	F53-G102 WeakPolarHBondContact CZ-O 3.23Å; L98-G102 PolarHBondContact O-N 3.28Å; S99-G102 PolarHBondContact O-N 3.21Å; G102-K104 PolarHBondContact O-N 2.86Å; G102-D105 PolarHBondContact O-N 3.48Å; G102-L106 WeakPolarHBondContact O-CB 3.18Å; G102-L106 PolarHBondContact O-N 3.07Å
103	L	85.3	Confident	82	Confident	117 Å²	117	50.9 Å²	50.9	61%	0.613	28%	0.284	S	S	*	.	H	α-helix	trans	-61.7	-41.1	176.4	-74.6	168	0	0	0	112.7	S99 R101 L106 A107	S99-L103 WeakPolarHBondContact O-CB 3.42Å; S99-L103 WeakPolarHBondContact O-CG 3.08Å; S99-L103 PolarHBondContact O-N 2.86Å; R101-L103 VanDerWaalsContact C-N 3.31Å; R101-L103 PolarHBondContact O-N 2.92Å; L103-L106 PolarHBondContact O-N 2.96Å; L103-A107 WeakPolarHBondContact O-CB 3.37Å; L103-A107 PolarHBondContact O-N 2.8Å
104	K	82.3	Confident	82.3	Confident	51 Å²	51	58.8 Å²	58.8	22%	0.222	31%	0.311	C	S	.	.	H	α-helix	trans	-60.8	-50.1	173.2	173.5	-173.7	170	172.2	0	111.4	V100 R101 G102 L106 A107 S108 E363 T393	V100-K104 PolarHBondContact O-N 2.8Å; V100-K104 VanDerWaalsContact O-N 3.11Å; R101-K104 WeakPolarHBondContact O-CB 3.2Å; R101-K104 PolarHBondContact O-N 3.26Å; G102-K104 PolarHBondContact O-N 2.86Å; K104-L106 VanDerWaalsContact C-N 3.29Å; K104-L106 PolarHBondContact O-N 3.43Å; K104-A107 PolarHBondContact O-N 2.85Å; K104-S108 PolarHBondContact O-N 2.77Å; K104-E363 IonicContact NZ-OE2 2.71Å; K104-E363 PolarHBondContact NZ-OE2 3.43Å; K104-T393 WeakPolarHBondContact CE-OG1 3.5Å; K104-T393 PolarHBondContact NZ-OG1 2.82Å
105	D	81.1	Confident	82.1	Confident	27 Å²	27	61 Å²	61	14%	0.144	33%	0.326	C	S	.	.	H	α-helix	trans	-61.6	-40.8	-179.4	-69.4	-21.9	0	0	0	110.3	Q61 R101 G102 S108 D109	Q61-D105 PolarHBondContact NE2-OD2 3.04Å; R101-D105 PolarHBondContact O-N 2.93Å; G102-D105 PolarHBondContact O-N 3.48Å; D105-S108 PolarHBondContact O-N 2.78Å; D105-S108 PolarHBondContact O-OG 2.89Å; D105-D109 PolarHBondContact O-N 3.35Å
106	L	85.5	Confident	81.9	Confident	51 Å²	51	56.8 Å²	56.8	27%	0.267	30%	0.304	S	S	.	.	H	α-helix	trans	-61.1	-46.4	174	-175.7	62.3	0	0	0	112.5	F53 G102 L103 K104 S108 D109 M110	F53-L106 HydrophobicContact CD2-CD1 4.2Å; F53-L106 HydrophobicContact CE2-CB 3.8Å; F53-L106 HydrophobicContact CE2-CD1 4.01Å; F53-L106 HydrophobicContact CE2-CG 4.46Å; F53-L106 HydrophobicContact CZ-CB 3.69Å; F53-L106 HydrophobicContact CZ-CD1 4.19Å; F53-L106 HydrophobicContact CZ-CG 4.34Å; G102-L106 WeakPolarHBondContact O-CB 3.18Å; G102-L106 PolarHBondContact O-N 3.07Å; L103-L106 PolarHBondContact O-N 2.96Å; K104-L106 VanDerWaalsContact C-N 3.29Å; K104-L106 PolarHBondContact O-N 3.43Å; L106-S108 VanDerWaalsContact C-N 3.29Å; L106-S108 PolarHBondContact O-N 2.59Å; L106-D109 PolarHBondContact O-N 2.81Å; L106-M110 HydrophobicContact CD1-CG 4.43Å; L106-M110 HydrophobicContact CG-CE 4.17Å; L106-M110 WeakPolarHBondContact O-CB 3.33Å; L106-M110 WeakPolarHBondContact O-CG 3.44Å; L106-M110 PolarHBondContact O-N 3.16Å
107	A	83.9	Confident	82.1	Confident	53 Å²	53	56.8 Å²	56.8	44%	0.438	31%	0.307	S	S	.	.	H	α-helix	trans	-59.2	-42.4	177.4	0	0	0	0	0	111.6	L103 K104 A111	L103-A107 WeakPolarHBondContact O-CB 3.37Å; L103-A107 PolarHBondContact O-N 2.8Å; K104-A107 PolarHBondContact O-N 2.85Å; A107-A111 PolarHBondContact O-N 3.15Å; A107-A111 VanDerWaalsContact O-N 3.14Å
108	S	76.7	Confident	82.5	Confident	55 Å²	55	62.4 Å²	62.4	39%	0.385	33%	0.333	S	S	.	.	H	α-helix	trans	-66.6	-38.1	177	79.6	0	0	0	0	112.9	K104 D105 L106 A111 R112	K104-S108 PolarHBondContact O-N 2.77Å; D105-S108 PolarHBondContact O-N 2.78Å; D105-S108 PolarHBondContact O-OG 2.89Å; L106-S108 VanDerWaalsContact C-N 3.29Å; L106-S108 PolarHBondContact O-N 2.59Å; S108-A111 PolarHBondContact O-N 3.15Å; S108-R112 WeakPolarHBondContact O-CG 3.5Å; S108-R112 PolarHBondContact O-N 2.82Å
109	D	82.4	Confident	82.4	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.011	34%	0.339	C	S	.	.	H	α-helix	trans	-71.1	-39.2	178.2	-161.5	69.2	0	0	0	111.5	H46 K47 Y48 D105 L106 A111 R112 R113	H46-D109 WeakPolarHBondContact CA-OD1 3.43Å; H46-D109 WeakPolarHBondContact CB-OD1 3.47Å; K47-D109 PolarHBondContact N-OD1 3.38Å; Y48-D109 HydrophobicContact CD2-CB 4.03Å; D105-D109 PolarHBondContact O-N 3.35Å; L106-D109 PolarHBondContact O-N 2.81Å; D109-A111 VanDerWaalsContact C-N 3.33Å; D109-A111 PolarHBondContact O-N 3.17Å; D109-R112 WeakPolarHBondContact O-CB 3.12Å; D109-R112 PolarHBondContact O-N 3.41Å; D109-R113 WeakPolarHBondContact O-CG 3.43Å; D109-R113 PolarHBondContact O-N 2.87Å; D109-R113 IonicContact OD2-CZ 2.79Å; D109-R113 IonicContact OD2-NE 3.72Å; D109-R113 PolarHBondContact OD2-NE 3.29Å; D109-R113 VanDerWaalsContact OD2-NE 3.08Å; D109-R113 IonicContact OD2-NH2 2.7Å; D109-R113 PolarHBondContact OD2-NH2 3.02Å; D109-R113 VanDerWaalsContact OD2-NH2 3.17Å
110	M	84.4	Confident	82.6	Confident	84 Å²	84	61.1 Å²	61.1	41%	0.414	32%	0.32	S	S	.	.	H	α-helix	trans	-60.5	-41.1	173.9	-74.7	-169.8	-64	0	0	112.1	L106 R113 R114	L106-M110 HydrophobicContact CD1-CG 4.43Å; L106-M110 HydrophobicContact CG-CE 4.17Å; L106-M110 WeakPolarHBondContact O-CB 3.33Å; L106-M110 WeakPolarHBondContact O-CG 3.44Å; L106-M110 PolarHBondContact O-N 3.16Å; M110-R113 PolarHBondContact O-N 3.13Å; M110-R114 WeakPolarHBondContact O-CG 3.33Å; M110-R114 PolarHBondContact O-N 3.27Å; M110-R114 VanDerWaalsContact O-N 3.12Å
111	A	79.3	Confident	82.9	Confident	54 Å²	54	60.7 Å²	60.7	45%	0.446	32%	0.32	S	S	.	.	H	α-helix	trans	-60.9	-44.2	174.6	0	0	0	0	0	111.4	A107 S108 D109 R113 R114 C115	A107-A111 PolarHBondContact O-N 3.15Å; A107-A111 VanDerWaalsContact O-N 3.14Å; S108-A111 PolarHBondContact O-N 3.15Å; D109-A111 VanDerWaalsContact C-N 3.33Å; D109-A111 PolarHBondContact O-N 3.17Å; A111-R113 PolarHBondContact O-N 3.04Å; A111-R114 PolarHBondContact O-N 3.06Å; A111-C115 PolarHBondContact O-N 2.69Å
112	R	77.2	Confident	83.4	Confident	89 Å²	89	63.1 Å²	63.1	34%	0.336	33%	0.33	S	S	.	.	H	α-helix	trans	-61.7	-41.6	175.3	-68.9	176	-172.5	-155.7	-1.7	112.8	H46 S108 D109 R114 C115 D116	H46-R112 HydrophobicContact CB-CB 4.38Å; S108-R112 WeakPolarHBondContact O-CG 3.5Å; S108-R112 PolarHBondContact O-N 2.82Å; D109-R112 WeakPolarHBondContact O-CB 3.12Å; D109-R112 PolarHBondContact O-N 3.41Å; R112-R114 VanDerWaalsContact C-N 3.31Å; R112-R114 PolarHBondContact O-N 2.88Å; R112-C115 PolarHBondContact O-N 3.4Å; R112-D116 PolarHBondContact O-N 2.64Å
113	R	84.9	Confident	83.7	Confident	73 Å²	73	66.7 Å²	66.7	28%	0.275	35%	0.351	S	S	.	.	H	α-helix	trans	-62.1	-37.5	177.4	-71.4	-177.4	-165.8	-179.5	5.3	112.6	H46 Y48 D109 M110 A111 D116 S117	H46-R113 HydrophobicContact CB-CG 3.59Å; Y48-R113 PolarHBondContact O-NH2 2.76Å; D109-R113 WeakPolarHBondContact O-CG 3.43Å; D109-R113 PolarHBondContact O-N 2.87Å; D109-R113 IonicContact OD2-CZ 2.79Å; D109-R113 IonicContact OD2-NE 3.72Å; D109-R113 PolarHBondContact OD2-NE 3.29Å; D109-R113 VanDerWaalsContact OD2-NE 3.08Å; D109-R113 IonicContact OD2-NH2 2.7Å; D109-R113 PolarHBondContact OD2-NH2 3.02Å; D109-R113 VanDerWaalsContact OD2-NH2 3.17Å; M110-R113 PolarHBondContact O-N 3.13Å; A111-R113 PolarHBondContact O-N 3.04Å; R113-D116 PolarHBondContact O-N 2.87Å; R113-S117 WeakPolarHBondContact O-CB 3.42Å; R113-S117 PolarHBondContact O-N 2.75Å
114	R	84.3	Confident	84	Confident	194 Å²	194	61.1 Å²	61.1	73%	0.732	32%	0.322	S	S	*	.	H	α-helix	trans	-61.9	-48.2	175.2	-70	176.8	-175	178.7	0.8	110.8	M110 A111 R112 S117 E118	M110-R114 WeakPolarHBondContact O-CG 3.33Å; M110-R114 PolarHBondContact O-N 3.27Å; M110-R114 VanDerWaalsContact O-N 3.12Å; A111-R114 PolarHBondContact O-N 3.06Å; R112-R114 VanDerWaalsContact C-N 3.31Å; R112-R114 PolarHBondContact O-N 2.88Å; R114-S117 PolarHBondContact O-N 2.8Å; R114-E118 PolarHBondContact O-N 3.12Å; R114-E118 VanDerWaalsContact O-N 3.13Å
115	C	76.5	Confident	84.5	Confident	52 Å²	52	59 Å²	59	35%	0.351	31%	0.313	S	S	.	.	H	α-helix	trans	-63.1	-43.2	176.2	-61.2	0	0	0	0	112.8	A111 R112 S117 E118 I119	A111-C115 PolarHBondContact O-N 2.69Å; R112-C115 PolarHBondContact O-N 3.4Å; C115-S117 VanDerWaalsContact C-N 3.31Å; C115-S117 PolarHBondContact O-N 2.7Å; C115-E118 PolarHBondContact O-N 2.69Å; C115-I119 PolarHBondContact O-N 2.89Å
116	D	81.6	Confident	85	Confident	7 Å²	7	57.9 Å²	57.9	4%	0.037	31%	0.307	C	S	.	.	H	α-helix	trans	-59.4	-44.2	176	-74.4	-14.8	0	0	0	111	S45 H46 R112 R113 E118 I119 N120	S45-D116 VanDerWaalsContact CB-OD1 3.22Å; S45-D116 WeakPolarHBondContact CB-OD1 3.45Å; S45-D116 VanDerWaalsContact N-CG 3.31Å; S45-D116 PolarHBondContact N-OD1 3.44Å; S45-D116 VanDerWaalsContact N-OD1 3.17Å; S45-D116 PolarHBondContact N-OD2 2.96Å; S45-D116 VanDerWaalsContact OG-CG 3.23Å; S45-D116 PolarHBondContact OG-OD1 2.98Å; S45-D116 PolarHBondContact OG-OD2 2.87Å; H46-D116 IonicContact CE1-OD2 2.8Å; H46-D116 IonicContact CG-OD2 3.79Å; H46-D116 PolarHBondContact N-OD2 2.79Å; H46-D116 IonicContact ND1-OD2 3.35Å; H46-D116 PolarHBondContact ND1-OD2 2.96Å; R112-D116 PolarHBondContact O-N 2.64Å; R113-D116 PolarHBondContact O-N 2.87Å; D116-E118 VanDerWaalsContact C-N 3.33Å; D116-E118 PolarHBondContact O-N 2.92Å; D116-I119 PolarHBondContact O-N 2.93Å; D116-N120 VanDerWaalsContact O-CB 3.28Å; D116-N120 WeakPolarHBondContact O-CB 3.45Å; D116-N120 PolarHBondContact O-N 2.86Å; D116-N120 PolarHBondContact O-ND2 3.49Å
117	S	86.1	Confident	85.2	Confident	74 Å²	74	56 Å²	56	52%	0.517	30%	0.297	S	S	.	.	H	α-helix	trans	-60.9	-43.2	179.9	-171.1	0	0	0	0	111.4	R113 R114 C115 N120 S121	R113-S117 WeakPolarHBondContact O-CB 3.42Å; R113-S117 PolarHBondContact O-N 2.75Å; R114-S117 PolarHBondContact O-N 2.8Å; C115-S117 VanDerWaalsContact C-N 3.31Å; C115-S117 PolarHBondContact O-N 2.7Å; S117-N120 PolarHBondContact O-N 2.8Å; S117-S121 WeakPolarHBondContact O-CB 3.33Å; S117-S121 PolarHBondContact O-N 2.94Å; S117-S121 PolarHBondContact O-OG 2.97Å
118	E	85.6	Confident	85.2	Confident	128 Å²	128	55.9 Å²	55.9	60%	0.598	29%	0.291	S	S	*	.	H	α-helix	trans	-62.6	-43.3	179.5	-171.5	-175.7	167.1	0	0	112.4	R114 C115 D116 S121	R114-E118 PolarHBondContact O-N 3.12Å; R114-E118 VanDerWaalsContact O-N 3.13Å; C115-E118 PolarHBondContact O-N 2.69Å; D116-E118 VanDerWaalsContact C-N 3.33Å; D116-E118 PolarHBondContact O-N 2.92Å; E118-S121 PolarHBondContact O-OG 3.06Å; E118-S121 VanDerWaalsContact O-OG 3.11Å
119	I	82.5	Confident	85	Confident	47 Å²	47	58.7 Å²	58.7	24%	0.241	31%	0.311	C	S	.	.	H	α-helix	trans	-66.9	-43.1	176.8	-65.3	169.7	0	0	0	110.7	V43 C115 D116 S121 R122 W137	V43-I119 HydrophobicContact CG2-CG2 4.11Å; C115-I119 PolarHBondContact O-N 2.89Å; D116-I119 PolarHBondContact O-N 2.93Å; I119-S121 VanDerWaalsContact C-N 3.33Å; I119-S121 PolarHBondContact O-N 2.82Å; I119-R122 WeakPolarHBondContact O-CG 3.46Å; I119-R122 PolarHBondContact O-N 3.21Å; I119-W137 HydrophobicContact CG2-CE3 4.02Å; I119-W137 HydrophobicContact CG2-CZ3 4.06Å
120	N	87.6	Confident	84.6	Confident	16 Å²	16	64.1 Å²	64.1	9%	0.086	34%	0.336	C	S	.	.	H	α-helix	trans	-71.9	-25.6	-176.3	-73	-35.4	0	0	0	113.4	V43 D116 S117 R122 W137 K138	V43-N120 PolarHBondContact N-OD1 3.29Å; V43-N120 PolarHBondContact O-ND2 2.98Å; D116-N120 VanDerWaalsContact O-CB 3.28Å; D116-N120 WeakPolarHBondContact O-CB 3.45Å; D116-N120 PolarHBondContact O-N 2.86Å; D116-N120 PolarHBondContact O-ND2 3.49Å; S117-N120 PolarHBondContact O-N 2.8Å; N120-R122 VanDerWaalsContact C-N 3.33Å; N120-W137 PolarHBondContact O-N 2.76Å; N120-K138 HydrophobicContact CB-CB 4.22Å; N120-K138 PolarHBondContact O-N 2.75Å
121	S	90.1	Very high	84.6	Confident	57 Å²	57	62.5 Å²	62.5	40%	0.399	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-1	178.5	58.3	0	0	0	0	114.4	S117 E118 I119	S117-S121 WeakPolarHBondContact O-CB 3.33Å; S117-S121 PolarHBondContact O-N 2.94Å; S117-S121 PolarHBondContact O-OG 2.97Å; E118-S121 PolarHBondContact O-OG 3.06Å; E118-S121 VanDerWaalsContact O-OG 3.11Å; I119-S121 VanDerWaalsContact C-N 3.33Å; I119-S121 PolarHBondContact O-N 2.82Å
122	R	88.6	Confident	85	Confident	87 Å²	87	61.1 Å²	61.1	33%	0.328	32%	0.317	S	S	.	.			trans	-62	138.7	179.2	-70.2	178.3	-179.6	-174.8	-2.4	111.1	I119 N120 Q136 W137	I119-R122 WeakPolarHBondContact O-CG 3.46Å; I119-R122 PolarHBondContact O-N 3.21Å; N120-R122 VanDerWaalsContact C-N 3.33Å; R122-Q136 CarbonylContact O-C 3.51Å; R122-Q136 WeakPolarHBondContact O-CA 3.37Å; R122-W137 HydrophobicContact CB-CD2 3.75Å; R122-W137 HydrophobicContact CB-CE3 4.45Å; R122-W137 HydrophobicContact CB-CG 3.79Å; R122-W137 HydrophobicContact CB-CZ2 4.33Å; R122-W137 PolarHBondContact O-N 3.2Å
123	P	92.1	Very high	85.7	Confident	82 Å²	82	62 Å²	62	53%	0.532	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	150.4	-178.9	31.6	-34.7	0	0	0	112.6	T134 A135 Q152	P123-T134 HydrophobicContact CB-CG2 3.77Å; P123-A135 CarbonylContact C-O 3.54Å; P123-A135 WeakPolarHBondContact CA-O 3.02Å; P123-Q152 PolarHBondContact O-NE2 2.99Å; P123-Q152 VanDerWaalsContact O-NE2 3.15Å
124	C	91.2	Very high	86	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	143	171.9	-175.2	0	0	0	0	110.4	A135	C124-A135 PolarHBondContact N-O 3.47Å; C124-A135 PolarHBondContact O-N 3.28Å; C124-A135 VanDerWaalsContact O-O 3.11Å
125	D	93.3	Very high	86.3	Confident	8 Å²	8	55.1 Å²	55.1	4%	0.043	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	119.4	177.8	-69.9	-13.4	0	0	0	109.8	F132 T134 L146 R147 R149	D125-F132 HydrophobicContact CB-CB 4.49Å; D125-F132 HydrophobicContact CB-CD1 4.24Å; D125-T134 PolarHBondContact OD1-OG1 2.75Å; D125-L146 WeakPolarHBondContact O-CA 3.43Å; D125-R147 HydrophobicContact CB-CB 4.04Å; D125-R147 PolarHBondContact O-N 3.26Å; D125-R147 IonicContact OD2-CZ 3.46Å; D125-R147 IonicContact OD2-NE 3.22Å; D125-R147 PolarHBondContact OD2-NE 3.05Å; D125-R147 IonicContact OD2-NH2 2.8Å; D125-R147 PolarHBondContact OD2-NH2 3.05Å; D125-R149 IonicContact OD1-NH2 3.94Å; D125-R149 IonicContact OD2-CZ 3.65Å; D125-R149 IonicContact OD2-NE 3.37Å; D125-R149 PolarHBondContact OD2-NE 3.22Å; D125-R149 IonicContact OD2-NH2 2.82Å; D125-R149 PolarHBondContact OD2-NH2 3.37Å
126	V	91.8	Very high	87	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.012	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	136.7	-179.4	-174.7	0	0	0	0	109.4	V128 F132 M133 A135 V140 D144 L146	V126-V128 HydrophobicContact CB-CG2 4.49Å; V126-V128 HydrophobicContact CG1-CG2 4.17Å; V126-V128 PolarHBondContact O-N 2.96Å; V126-F132 WeakPolarHBondContact O-CA 3.44Å; V126-M133 PolarHBondContact N-O 3.35Å; V126-M133 PolarHBondContact O-N 3.36Å; V126-A135 HydrophobicContact CB-CB 4.42Å; V126-A135 HydrophobicContact CG2-CB 3.66Å; V126-V140 HydrophobicContact CG2-CG2 4.44Å; V126-D144 HydrophobicContact CG1-CB 4.01Å; V126-L146 HydrophobicContact CB-CD2 4.16Å; V126-L146 HydrophobicContact CG1-CD2 4.18Å; V126-L146 HydrophobicContact CG2-CD2 3.6Å
127	L	89.1	Confident	87.4	Confident	12 Å²	12	56.2 Å²	56.2	6%	0.063	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	114.7	174	-171.3	69.4	0	0	0	110.3	F132 L145 L205	L127-F132 HydrophobicContact CB-CD1 4.26Å; L127-F132 HydrophobicContact CB-CE1 3.85Å; L127-F132 HydrophobicContact CB-CZ 4.24Å; L127-F132 HydrophobicContact CD1-CD2 4.22Å; L127-F132 HydrophobicContact CD1-CE1 4.29Å; L127-F132 HydrophobicContact CD1-CE2 3.99Å; L127-F132 HydrophobicContact CD1-CG 4.46Å; L127-F132 HydrophobicContact CD1-CZ 4.02Å; L127-L145 HydrophobicContact CB-CB 3.89Å; L127-L145 HydrophobicContact CD2-CB 4.1Å; L127-L145 HydrophobicContact CD2-CD1 4.31Å; L127-L145 PolarHBondContact N-O 3.11Å; L127-L205 HydrophobicContact CD2-CB 3.86Å
128	V	83.3	Confident	87.5	Confident	51 Å²	51	56.9 Å²	56.9	31%	0.309	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	123.9	176.6	-176.5	0	0	0	0	108.6	V126 Q130 S131 M133	V126-V128 HydrophobicContact CB-CG2 4.49Å; V126-V128 HydrophobicContact CG1-CG2 4.17Å; V126-V128 PolarHBondContact O-N 2.96Å; V128-Q130 VanDerWaalsContact C-N 3.33Å; V128-Q130 PolarHBondContact O-N 2.84Å; V128-S131 PolarHBondContact N-O 2.86Å; V128-S131 PolarHBondContact O-N 3.5Å; V128-S131 VanDerWaalsContact O-N 3.11Å; V128-S131 PolarHBondContact O-OG 2.8Å; V128-M133 HydrophobicContact CB-CG 4.39Å; V128-M133 HydrophobicContact CB-SD 4.19Å; V128-M133 HydrophobicContact CG1-SD 4.42Å
129	S	73	Confident	87.7	Confident	114 Å²	114	54.2 Å²	54.2	80%	0.797	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	48.1	176.7	-54.5	0	0	0	0	113.4	S131	S129-S131 VanDerWaalsContact C-N 3.25Å; S129-S131 PolarHBondContact O-N 3.12Å
130	Q	74.6	Confident	87.9	Confident	115 Å²	115	52.1 Å²	52.1	54%	0.537	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	18	179.8	-57.6	175.6	-30.9	0	0	115.6	V128 E202	V128-Q130 VanDerWaalsContact C-N 3.33Å; V128-Q130 PolarHBondContact O-N 2.84Å; Q130-E202 VanDerWaalsContact O-CB 3.31Å; Q130-E202 WeakPolarHBondContact O-CB 3.3Å
131	S	84.8	Confident	88	Confident	50 Å²	50	52.8 Å²	52.8	35%	0.35	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	150.5	170.7	65.8	0	0	0	0	112.3	V128 S129 M133 E202	V128-S131 PolarHBondContact N-O 2.86Å; V128-S131 PolarHBondContact O-N 3.5Å; V128-S131 VanDerWaalsContact O-N 3.11Å; V128-S131 PolarHBondContact O-OG 2.8Å; S129-S131 VanDerWaalsContact C-N 3.25Å; S129-S131 PolarHBondContact O-N 3.12Å; S131-M133 PolarHBondContact O-N 2.83Å; S131-E202 WeakPolarHBondContact CA-OE2 2.9Å
132	F	87.9	Confident	87.9	Confident	25 Å²	25	50.2 Å²	50.2	11%	0.11	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	115.3	175.2	-77.6	-77.1	0	0	0	111.3	D125 V126 L127 R147 E202 L205 Y256	D125-F132 HydrophobicContact CB-CB 4.49Å; D125-F132 HydrophobicContact CB-CD1 4.24Å; V126-F132 WeakPolarHBondContact O-CA 3.44Å; L127-F132 HydrophobicContact CB-CD1 4.26Å; L127-F132 HydrophobicContact CB-CE1 3.85Å; L127-F132 HydrophobicContact CB-CZ 4.24Å; L127-F132 HydrophobicContact CD1-CD2 4.22Å; L127-F132 HydrophobicContact CD1-CE1 4.29Å; L127-F132 HydrophobicContact CD1-CE2 3.99Å; L127-F132 HydrophobicContact CD1-CG 4.46Å; L127-F132 HydrophobicContact CD1-CZ 4.02Å; F132-R147 HydrophobicContact CD1-CB 3.72Å; F132-R147 HydrophobicContact CE1-CB 3.49Å; F132-R147 VanDerWaalsContact CE1-CB 3.49Å; F132-R147 HydrophobicContact CE2-CB 4.49Å; F132-R147 HydrophobicContact CG-CB 4.33Å; F132-R147 HydrophobicContact CZ-CB 3.92Å; F132-E202 HydrophobicContact CD2-CG 4.24Å; F132-E202 HydrophobicContact CE2-CG 4.32Å; F132-L205 HydrophobicContact CE2-CD1 4.13Å; F132-L205 HydrophobicContact CZ-CD1 4.05Å; F132-Y256 HydrophobicContact CE1-CD1 4.43Å; F132-Y256 HydrophobicContact CE1-CE1 4.32Å; F132-Y256 HydrophobicContact CE2-CD1 4.34Å; F132-Y256 AromaticContact CE2-CE1 3.6Å; F132-Y256 HydrophobicContact CE2-CE1 3.6Å; F132-Y256 AromaticContact CZ-CD1 3.68Å; F132-Y256 HydrophobicContact CZ-CD1 3.68Å; F132-Y256 AromaticContact CZ-CE1 3.39Å; F132-Y256 HydrophobicContact CZ-CE1 3.39Å
133	M	90.2	Very high	87.9	Confident	109 Å²	109	46 Å²	46	54%	0.537	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	139	172.9	-62.5	-169.4	75	0	0	110.5	V126 V128 S131 A135	V126-M133 PolarHBondContact N-O 3.35Å; V126-M133 PolarHBondContact O-N 3.36Å; V128-M133 HydrophobicContact CB-CG 4.39Å; V128-M133 HydrophobicContact CB-SD 4.19Å; V128-M133 HydrophobicContact CG1-SD 4.42Å; S131-M133 PolarHBondContact O-N 2.83Å; M133-A135 PolarHBondContact O-N 3.45Å
134	T	91.7	Very high	87.8	Confident	99 Å²	99	42.5 Å²	42.5	61%	0.607	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	116	172.8	-54.4	0	0	0	0	109.9	P123 D125	P123-T134 HydrophobicContact CB-CG2 3.77Å; D125-T134 PolarHBondContact OD1-OG1 2.75Å
135	A	90.6	Very high	87.8	Confident	23 Å²	23	42.5 Å²	42.5	19%	0.19	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	165.9	174.8	0	0	0	0	0	110.9	P123 C124 V126 M133 D139	P123-A135 CarbonylContact C-O 3.54Å; P123-A135 WeakPolarHBondContact CA-O 3.02Å; C124-A135 PolarHBondContact N-O 3.47Å; C124-A135 PolarHBondContact O-N 3.28Å; C124-A135 VanDerWaalsContact O-O 3.11Å; V126-A135 HydrophobicContact CB-CB 4.42Å; V126-A135 HydrophobicContact CG2-CB 3.66Å; M133-A135 PolarHBondContact O-N 3.45Å; A135-D139 HydrophobicContact CB-CB 4.49Å
136	Q	92	Very high	87.8	Confident	73 Å²	73	42.1 Å²	42.1	34%	0.341	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	154.9	172.4	-63.8	-176.5	-9.6	0	0	110.5	R122 K138 D139	R122-Q136 CarbonylContact O-C 3.51Å; R122-Q136 WeakPolarHBondContact O-CA 3.37Å; Q136-K138 HydrophobicContact CB-CD 4.45Å; Q136-K138 HydrophobicContact CB-CG 3.94Å; Q136-K138 PolarHBondContact O-N 2.79Å; Q136-K138 VanDerWaalsContact O-N 3.13Å; Q136-D139 WeakPolarHBondContact O-CB 3.41Å; Q136-D139 PolarHBondContact O-N 3.35Å
137	W	90	Very high	87.8	Confident	8 Å²	8	44.4 Å²	44.4	3%	0.03	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-52.9	-37.8	178.6	-81.6	23.2	0	0	0	113.1	N41 I119 N120 R122 D139 V140 I153 P155	N41-W137 WeakPolarHBondContact CB-O 3.25Å; N41-W137 PolarHBondContact ND2-O 3.16Å; I119-W137 HydrophobicContact CG2-CE3 4.02Å; I119-W137 HydrophobicContact CG2-CZ3 4.06Å; N120-W137 PolarHBondContact O-N 2.76Å; R122-W137 HydrophobicContact CB-CD2 3.75Å; R122-W137 HydrophobicContact CB-CE3 4.45Å; R122-W137 HydrophobicContact CB-CG 3.79Å; R122-W137 HydrophobicContact CB-CZ2 4.33Å; R122-W137 PolarHBondContact O-N 3.2Å; W137-D139 PolarHBondContact O-N 3.43Å; W137-V140 PolarHBondContact O-N 2.97Å; W137-I153 HydrophobicContact CH2-CB 4.14Å; W137-I153 HydrophobicContact CH2-CG2 3.71Å; W137-I153 HydrophobicContact CZ2-CB 4.04Å; W137-I153 HydrophobicContact CZ2-CG2 4.06Å; W137-P155 HydrophobicContact CD2-CB 3.89Å; W137-P155 HydrophobicContact CG-CB 4.03Å; W137-P155 HydrophobicContact CZ2-CB 4.16Å
138	K	87.9	Confident	88.1	Confident	88 Å²	88	43.8 Å²	43.8	38%	0.383	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-59.8	-24.4	177.1	69.6	-177.7	-164.2	-158.5	0	114.1	V42 N120 Q136	V42-K138 HydrophobicContact CG2-CB 3.96Å; N120-K138 HydrophobicContact CB-CB 4.22Å; N120-K138 PolarHBondContact O-N 2.75Å; Q136-K138 HydrophobicContact CB-CD 4.45Å; Q136-K138 HydrophobicContact CB-CG 3.94Å; Q136-K138 PolarHBondContact O-N 2.79Å; Q136-K138 VanDerWaalsContact O-N 3.13Å
139	D	88.4	Confident	88.5	Confident	73 Å²	73	47.4 Å²	47.4	39%	0.39	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-95.8	-2.7	-173.3	-59.1	-46.2	0	0	0	112.8	R19 A135 Q136 W137	R19-D139 PolarHBondContact NH2-O 3.22Å; A135-D139 HydrophobicContact CB-CB 4.49Å; Q136-D139 WeakPolarHBondContact O-CB 3.41Å; Q136-D139 PolarHBondContact O-N 3.35Å; W137-D139 PolarHBondContact O-N 3.43Å
140	V	88.8	Confident	89.3	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.012	22%	0.224	C	C	.	.			trans	-72.8	130.5	177.5	177.3	0	0	0	0	110.7	N41 V126 W137 L146 T259	N41-V140 HydrophobicContact CB-CB 4.31Å; N41-V140 WeakPolarHBondContact CB-O 3.49Å; V126-V140 HydrophobicContact CG2-CG2 4.44Å; W137-V140 PolarHBondContact O-N 2.97Å; V140-L146 HydrophobicContact CG1-CD1 4.12Å; V140-L146 HydrophobicContact CG1-CD2 4.31Å; V140-L146 HydrophobicContact CG2-CD2 4.5Å; V140-T259 HydrophobicContact CG1-CG2 4.16Å
141	C	88.2	Confident	89.9	Confident	30 Å²	30	43.9 Å²	43.9	20%	0.203	22%	0.218	C	C	.	.			trans	-116.5	157.7	179.4	-64.4	0	0	0	0	112	R19 G143 D144 T259	R19-C141 HydrophobicContact CG-CB 4.49Å; C141-G143 PolarHBondContact O-N 3.46Å; C141-D144 WeakPolarHBondContact CB-OD2 3.45Å; C141-D144 PolarHBondContact N-OD2 2.78Å; C141-D144 VanDerWaalsContact O-CB 3.31Å; C141-D144 WeakPolarHBondContact O-CB 3.13Å; C141-D144 PolarHBondContact O-N 3.32Å; C141-T259 WeakPolarHBondContact O-CB 3.42Å
142	V	88.9	Confident	90.1	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.018	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	137.1	170.2	177	0	0	0	0	109.3	V14 H22 Y38 D144 T262	V14-V142 HydrophobicContact CB-CG1 4.32Å; V14-V142 HydrophobicContact CG1-CG1 3.73Å; V14-V142 HydrophobicContact CG2-CG1 3.74Å; H22-V142 PolarHBondContact CD2-O 3.47Å; Y38-V142 HydrophobicContact CD1-CB 4.23Å; Y38-V142 HydrophobicContact CD1-CG1 4Å; Y38-V142 HydrophobicContact CD1-CG2 3.99Å; Y38-V142 HydrophobicContact CE1-CG1 4.12Å; Y38-V142 HydrophobicContact CG-CB 4.48Å; Y38-V142 HydrophobicContact CG-CG2 4.31Å; V142-D144 VanDerWaalsContact C-N 3.32Å; V142-T262 HydrophobicContact CG2-CG2 3.75Å; V142-T262 WeakPolarHBondContact CG2-OG1 3.26Å
143	G	88.1	Confident	90.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	-5.5	-177	0	0	0	0	0	115.5	N17 C141 L258 T259	N17-G143 PolarHBondContact N-O 2.98Å; C141-G143 PolarHBondContact O-N 3.46Å; G143-L258 WeakPolarHBondContact O-CD1 3.42Å; G143-T259 PolarHBondContact N-O 3.04Å
144	D	89.9	Confident	90.3	Very high	7 Å²	7	39.3 Å²	39.3	4%	0.037	19%	0.191	C	C	.	.			trans	-73	137.8	173.9	-70.3	-11.6	0	0	0	110.2	R19 V126 C141 V142 L146 T259	R19-D144 IonicContact CZ-OD1 3.45Å; R19-D144 IonicContact CZ-OD2 3.06Å; R19-D144 IonicContact NE-OD1 3.75Å; R19-D144 PolarHBondContact NE-OD1 2.85Å; R19-D144 VanDerWaalsContact NE-OD1 3.08Å; R19-D144 IonicContact NE-OD2 3.92Å; R19-D144 PolarHBondContact NE-OD2 2.84Å; R19-D144 IonicContact NH2-OD1 2.77Å; R19-D144 IonicContact NH2-OD2 3.95Å; R19-D144 PolarHBondContact NH2-OD2 3.3Å; V126-D144 HydrophobicContact CG1-CB 4.01Å; C141-D144 WeakPolarHBondContact CB-OD2 3.45Å; C141-D144 PolarHBondContact N-OD2 2.78Å; C141-D144 VanDerWaalsContact O-CB 3.31Å; C141-D144 WeakPolarHBondContact O-CB 3.13Å; C141-D144 PolarHBondContact O-N 3.32Å; V142-D144 VanDerWaalsContact C-N 3.32Å; D144-L146 HydrophobicContact CB-CD2 4.44Å; D144-T259 WeakPolarHBondContact O-CB 3.31Å; D144-T259 PolarHBondContact O-N 2.89Å; D144-T259 PolarHBondContact O-OG1 2.92Å
145	L	91.4	Very high	90.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	126.3	171.7	-101.2	130.7	0	0	0	109.9	N17 L127 L161 L205 F208 L258	N17-L145 WeakPolarHBondContact ND2-CD1 3.36Å; N17-L145 WeakPolarHBondContact OD1-CD1 3.35Å; L127-L145 HydrophobicContact CB-CB 3.89Å; L127-L145 HydrophobicContact CD2-CB 4.1Å; L127-L145 HydrophobicContact CD2-CD1 4.31Å; L127-L145 PolarHBondContact N-O 3.11Å; L145-L161 HydrophobicContact CD2-CD1 3.52Å; L145-L161 HydrophobicContact CG-CD1 4.28Å; L145-L205 HydrophobicContact CD2-CD2 4.01Å; L145-F208 HydrophobicContact CD1-CD1 4.28Å; L145-L258 HydrophobicContact CG-CD1 4.47Å
146	L	92.6	Very high	90.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	141.1	-176.9	-54.6	-175.2	0	0	0	110.8	D125 V126 V140 D144 I148 P155 L158 Y256 G257	D125-L146 WeakPolarHBondContact O-CA 3.43Å; V126-L146 HydrophobicContact CB-CD2 4.16Å; V126-L146 HydrophobicContact CG1-CD2 4.18Å; V126-L146 HydrophobicContact CG2-CD2 3.6Å; V140-L146 HydrophobicContact CG1-CD1 4.12Å; V140-L146 HydrophobicContact CG1-CD2 4.31Å; V140-L146 HydrophobicContact CG2-CD2 4.5Å; D144-L146 HydrophobicContact CB-CD2 4.44Å; L146-I148 HydrophobicContact CB-CD1 4.12Å; L146-P155 HydrophobicContact CD1-CG 3.57Å; L146-L158 HydrophobicContact CB-CD1 4.4Å; L146-L158 HydrophobicContact CD1-CD1 4.07Å; L146-L158 HydrophobicContact CD1-CD2 3.6Å; L146-L158 HydrophobicContact CD1-CG 4.5Å; L146-L158 HydrophobicContact CG-CD2 4.4Å; L146-Y256 WeakPolarHBondContact O-CA 3.23Å; L146-G257 PolarHBondContact N-O 3.1Å; L146-G257 PolarHBondContact O-N 2.84Å
147	R	92.9	Very high	90.2	Very high	50 Å²	50	30 Å²	30	19%	0.189	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	112.9	165.1	-179	177.2	66.7	-165.9	-2.7	108.5	D125 F132 F254 Y256	D125-R147 HydrophobicContact CB-CB 4.04Å; D125-R147 PolarHBondContact O-N 3.26Å; D125-R147 IonicContact OD2-CZ 3.46Å; D125-R147 IonicContact OD2-NE 3.22Å; D125-R147 PolarHBondContact OD2-NE 3.05Å; D125-R147 IonicContact OD2-NH2 2.8Å; D125-R147 PolarHBondContact OD2-NH2 3.05Å; F132-R147 HydrophobicContact CD1-CB 3.72Å; F132-R147 HydrophobicContact CE1-CB 3.49Å; F132-R147 VanDerWaalsContact CE1-CB 3.49Å; F132-R147 HydrophobicContact CE2-CB 4.49Å; F132-R147 HydrophobicContact CG-CB 4.33Å; F132-R147 HydrophobicContact CZ-CB 3.92Å; R147-F254 HydrophobicContact CG-CB 4.38Å; R147-Y256 HydrophobicContact CB-CD1 4.05Å; R147-Y256 HydrophobicContact CB-CE1 3.84Å; R147-Y256 HydrophobicContact CG-CD1 4.23Å; R147-Y256 HydrophobicContact CG-CE1 3.73Å
148	I	94.3	Very high	90.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	124.6	175.9	-52	-55.9	0	0	0	107.6	L146 Q152 I154 P155 L158 L249 F254 A255	L146-I148 HydrophobicContact CB-CD1 4.12Å; I148-Q152 HydrophobicContact CG2-CB 4.08Å; I148-I154 HydrophobicContact CG1-CG1 4.48Å; I148-I154 HydrophobicContact CG2-CG1 4.06Å; I148-P155 HydrophobicContact CD1-CG 4.36Å; I148-L158 HydrophobicContact CD1-CD1 4.04Å; I148-L158 HydrophobicContact CG1-CD1 3.84Å; I148-L249 HydrophobicContact CB-CD2 4.21Å; I148-L249 HydrophobicContact CG2-CB 3.9Å; I148-L249 HydrophobicContact CG2-CD2 3.91Å; I148-L249 HydrophobicContact CG2-CG 4.49Å; I148-L249 WeakPolarHBondContact O-CD2 3.35Å; I148-F254 CarbonylContact O-C 3.6Å; I148-F254 VanDerWaalsContact O-CA 3.23Å; I148-F254 WeakPolarHBondContact O-CA 3.37Å; I148-A255 PolarHBondContact N-O 2.82Å; I148-A255 PolarHBondContact O-N 3.44Å
149	R	92.8	Very high	90.7	Very high	126 Å²	126	25.5 Å²	25.5	48%	0.475	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	163.7	177.5	-59.3	-173	-168.6	-168.2	3.7	110.9	D125 D151 Q152	D125-R149 IonicContact OD1-NH2 3.94Å; D125-R149 IonicContact OD2-CZ 3.65Å; D125-R149 IonicContact OD2-NE 3.37Å; D125-R149 PolarHBondContact OD2-NE 3.22Å; D125-R149 IonicContact OD2-NH2 2.82Å; D125-R149 PolarHBondContact OD2-NH2 3.37Å; R149-D151 PolarHBondContact O-N 2.88Å; R149-Q152 WeakPolarHBondContact O-CB 3.35Å; R149-Q152 PolarHBondContact O-N 2.95Å; R149-Q152 VanDerWaalsContact O-N 3.14Å
150	R	89.5	Confident	90.9	Very high	77 Å²	77	22.1 Å²	22.1	29%	0.291	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48	137.5	169.8	-165.7	173.1	-178.8	160	2.3	112.3	Q152 T252 D253 E497	R150-Q152 PolarHBondContact O-N 3.24Å; R150-Q152 VanDerWaalsContact O-N 3.16Å; R150-T252 WeakPolarHBondContact CA-O 3.31Å; R150-T252 VanDerWaalsContact CB-O 3.27Å; R150-T252 WeakPolarHBondContact CB-O 3.41Å; R150-T252 WeakPolarHBondContact CG-O 3.35Å; R150-D253 PolarHBondContact N-O 2.7Å; R150-D253 IonicContact NH1-OD1 2.71Å; R150-E497 IonicContact CZ-OE1 2.83Å; R150-E497 IonicContact NH2-OE1 2.67Å; R150-E497 PolarHBondContact NH2-OE1 3.31Å; R150-E497 IonicContact NH2-OE2 4Å; R150-E497 PolarHBondContact NH2-OE2 2.93Å
151	D	87.8	Confident	91	Very high	78 Å²	78	22.1 Å²	22.1	42%	0.417	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	13	-180	-55.2	-40.7	0	0	0	115	R149 L249 R250	R149-D151 PolarHBondContact O-N 2.88Å; D151-L249 VanDerWaalsContact CA-O 3.23Å; D151-L249 WeakPolarHBondContact CA-O 3.4Å; D151-L249 PolarHBondContact N-O 3.46Å; D151-R250 VanDerWaalsContact CG-NH1 3.32Å; D151-R250 WeakPolarHBondContact OD1-CD 3.28Å; D151-R250 IonicContact OD1-CZ 3.43Å; D151-R250 IonicContact OD1-NE 3.79Å; D151-R250 IonicContact OD1-NH1 2.61Å; D151-R250 PolarHBondContact OD1-NH1 2.92Å
152	Q	89.4	Confident	91	Very high	37 Å²	37	20.7 Å²	20.7	17%	0.173	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-89.4	138.9	176.7	-167	176.5	9.1	0	0	111.7	P123 I148 R149 R150 L249	P123-Q152 PolarHBondContact O-NE2 2.99Å; P123-Q152 VanDerWaalsContact O-NE2 3.15Å; I148-Q152 HydrophobicContact CG2-CB 4.08Å; R149-Q152 WeakPolarHBondContact O-CB 3.35Å; R149-Q152 PolarHBondContact O-N 2.95Å; R149-Q152 VanDerWaalsContact O-N 3.14Å; R150-Q152 PolarHBondContact O-N 3.24Å; R150-Q152 VanDerWaalsContact O-N 3.16Å; Q152-L249 PolarHBondContact O-N 3.29Å; Q152-L249 VanDerWaalsContact O-N 3.12Å
153	I	89.1	Confident	91	Very high	51 Å²	51	20.5 Å²	20.5	26%	0.262	9%	0.089	S	C	.	.	B	Isolated β-bridge	trans	-74.4	132.4	172.6	-55.9	164.5	0	0	0	109.5	W137 V248	W137-I153 HydrophobicContact CH2-CB 4.14Å; W137-I153 HydrophobicContact CH2-CG2 3.71Å; W137-I153 HydrophobicContact CZ2-CB 4.04Å; W137-I153 HydrophobicContact CZ2-CG2 4.06Å; I153-V248 HydrophobicContact CG1-CG2 3.97Å
154	I	91.6	Very high	90.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-72.9	125.1	-179.9	-70	157.5	0	0	0	110.3	I148 A156 L158 V172 L243 R245 G246 T247	I148-I154 HydrophobicContact CG1-CG1 4.48Å; I148-I154 HydrophobicContact CG2-CG1 4.06Å; I154-A156 WeakPolarHBondContact CG2-O 3.35Å; I154-L158 HydrophobicContact CG2-CD1 3.9Å; I154-L158 HydrophobicContact CG2-CG 4.02Å; I154-V172 HydrophobicContact CD1-CG1 4.04Å; I154-L243 HydrophobicContact CD1-CB 3.91Å; I154-L243 HydrophobicContact CD1-CD1 4.19Å; I154-L243 HydrophobicContact CG2-CB 4.48Å; I154-R245 CarbonylContact O-C 3.55Å; I154-R245 WeakPolarHBondContact O-CA 3.44Å; I154-G246 PolarHBondContact O-N 3.21Å; I154-T247 WeakPolarHBondContact CB-O 3.37Å; I154-T247 WeakPolarHBondContact CD1-OG1 3.42Å; I154-T247 PolarHBondContact N-O 3.12Å
155	P	89.8	Confident	90.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.11	C	C	.	.			trans	-81.9	-21.8	-169.4	31.5	-37.9	0	0	0	114.9	W137 L146 I148 R245	W137-P155 HydrophobicContact CD2-CB 3.89Å; W137-P155 HydrophobicContact CG-CB 4.03Å; W137-P155 HydrophobicContact CZ2-CB 4.16Å; L146-P155 HydrophobicContact CD1-CG 3.57Å; I148-P155 HydrophobicContact CD1-CG 4.36Å; P155-R245 WeakPolarHBondContact O-CD 3.47Å; P155-R245 PolarHBondContact O-NH1 3.3Å
156	A	91.2	Very high	89.5	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-153.6	172.8	-172.6	0	0	0	0	0	109.2	I154 L158 T259 Y261	I154-A156 WeakPolarHBondContact CG2-O 3.35Å; A156-L158 HydrophobicContact CB-CD2 4.06Å; A156-L158 WeakPolarHBondContact O-CG 3.33Å; A156-L158 PolarHBondContact O-N 2.83Å; A156-T259 HydrophobicContact CB-CG2 3.81Å; A156-Y261 WeakPolarHBondContact CB-O 3.48Å
157	D	92.2	Very high	88.5	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	117.9	174.9	-61.8	-16	0	0	0	108.4	L243 R245 I260 Y261 T270 K271	D157-L243 CarbonylContact C-O 3.48Å; D157-L243 WeakPolarHBondContact CA-O 3.31Å; D157-R245 WeakPolarHBondContact OD1-CB 3.41Å; D157-R245 PolarHBondContact OD1-N 3.2Å; D157-I260 PolarHBondContact O-N 3.48Å; D157-Y261 HydrophobicContact CB-CD2 3.95Å; D157-Y261 HydrophobicContact CB-CG 4.47Å; D157-Y261 PolarHBondContact N-O 3.33Å; D157-Y261 VanDerWaalsContact N-O 3.09Å; D157-Y261 PolarHBondContact O-N 3.46Å; D157-T270 VanDerWaalsContact OD2-CA 3.26Å; D157-T270 WeakPolarHBondContact OD2-CA 3.31Å; D157-K271 PolarHBondContact OD2-N 3.32Å
158	L	93.6	Very high	87.9	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	143.3	-171.7	-44.7	-179.7	0	0	0	111.6	L146 I148 I154 A156 V242 L243 L258 T259	L146-L158 HydrophobicContact CB-CD1 4.4Å; L146-L158 HydrophobicContact CD1-CD1 4.07Å; L146-L158 HydrophobicContact CD1-CD2 3.6Å; L146-L158 HydrophobicContact CD1-CG 4.5Å; L146-L158 HydrophobicContact CG-CD2 4.4Å; I148-L158 HydrophobicContact CD1-CD1 4.04Å; I148-L158 HydrophobicContact CG1-CD1 3.84Å; I154-L158 HydrophobicContact CG2-CD1 3.9Å; I154-L158 HydrophobicContact CG2-CG 4.02Å; A156-L158 HydrophobicContact CB-CD2 4.06Å; A156-L158 WeakPolarHBondContact O-CG 3.33Å; A156-L158 PolarHBondContact O-N 2.83Å; L158-V242 CarbonylContact O-C 3.53Å; L158-V242 WeakPolarHBondContact O-CA 3.46Å; L158-V242 WeakPolarHBondContact O-CG1 3.44Å; L158-L243 HydrophobicContact CB-CB 4.27Å; L158-L243 PolarHBondContact N-O 3.43Å; L158-L243 PolarHBondContact O-N 3.45Å; L158-L258 CarbonylContact C-O 3.54Å; L158-L258 VanDerWaalsContact CA-O 3.26Å; L158-L258 WeakPolarHBondContact CA-O 3.38Å; L158-T259 HydrophobicContact CD2-CG2 4.27Å
159	L	93.8	Very high	87.4	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	122.1	163.1	176.8	64.4	0	0	0	109.1	L161 V212 L237 H241 G257 L258 I260	L159-L161 HydrophobicContact CD2-CD2 4.23Å; L159-L161 HydrophobicContact CG-CD2 4.37Å; L159-L161 PolarHBondContact O-N 2.84Å; L159-V212 HydrophobicContact CD2-CG2 3.74Å; L159-L237 HydrophobicContact CD1-CD1 3.98Å; L159-L237 HydrophobicContact CD1-CD2 3.64Å; L159-L237 HydrophobicContact CD1-CG 4.39Å; L159-L237 HydrophobicContact CD2-CD1 4.06Å; L159-L237 HydrophobicContact CD2-CD2 4.47Å; L159-H241 HydrophobicContact CD1-CB 3.94Å; L159-G257 CarbonylContact O-C 3.55Å; L159-G257 WeakPolarHBondContact O-CA 3Å; L159-L258 HydrophobicContact CB-CB 4.28Å; L159-L258 PolarHBondContact N-O 2.87Å; L159-L258 PolarHBondContact O-N 3.11Å; L159-I260 HydrophobicContact CB-CD1 3.66Å; L159-I260 HydrophobicContact CB-CG1 4.07Å
160	L	93.1	Very high	87	Confident	2 Å²	2	26.4 Å²	26.4	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	121.5	176.5	179.9	64.5	0	0	0	110.3	R186 A188 H241 L243 A255	L160-R186 HydrophobicContact CD2-CB 4.09Å; L160-A188 HydrophobicContact CD2-CB 4.29Å; L160-A188 HydrophobicContact CG-CB 4.01Å; L160-H241 WeakPolarHBondContact CB-O 3.41Å; L160-H241 PolarHBondContact N-O 2.68Å; L160-L243 HydrophobicContact CB-CG 4.33Å; L160-L243 HydrophobicContact CD1-CD1 4.23Å; L160-A255 HydrophobicContact CD1-CB 4.08Å
161	L	90.4	Very high	86.8	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-47.1	-179.7	-63.8	176	0	0	0	112.2	L145 L159 A188 T192 L196 F208 Y256 L258	L145-L161 HydrophobicContact CD2-CD1 3.52Å; L145-L161 HydrophobicContact CG-CD1 4.28Å; L159-L161 HydrophobicContact CD2-CD2 4.23Å; L159-L161 HydrophobicContact CG-CD2 4.37Å; L159-L161 PolarHBondContact O-N 2.84Å; L161-A188 VanDerWaalsContact O-CB 3.31Å; L161-A188 WeakPolarHBondContact O-CB 3.32Å; L161-T192 HydrophobicContact CD2-CG2 4.26Å; L161-T192 WeakPolarHBondContact O-CB 3.43Å; L161-T192 PolarHBondContact O-OG1 3.39Å; L161-L196 HydrophobicContact CB-CD1 4.3Å; L161-F208 HydrophobicContact CD1-CD1 4.41Å; L161-F208 HydrophobicContact CD1-CE1 4.18Å; L161-F208 HydrophobicContact CD2-CE1 4.21Å; L161-F208 HydrophobicContact CD2-CZ 3.94Å; L161-Y256 PolarHBondContact N-O 3.31Å; L161-L258 HydrophobicContact CD1-CB 4.06Å; L161-L258 HydrophobicContact CG-CB 4.41Å
162	S	89.6	Confident	86.7	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	157.8	179.1	178.9	0	0	0	0	109.9	S168 T197 Y256	S162-S168 PolarHBondContact OG-OG 2.79Å; S162-T197 PolarHBondContact OG-O 3.45Å; S162-Y256 PolarHBondContact O-N 3.13Å
163	S	88.6	Confident	86.4	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	158.8	-179.9	177.3	0	0	0	0	109.1	E165 S168 L169	S163-E165 PolarHBondContact O-N 3.15Å; S163-S168 PolarHBondContact N-OG 2.78Å; S163-L169 WeakPolarHBondContact CB-O 3.24Å; S163-L169 PolarHBondContact OG-O 3.17Å
164	S	85.1	Confident	85.7	Confident	28 Å²	28	19.6 Å²	19.6	20%	0.196	10%	0.102	C	C	.	.	S	Bend	trans	-62.8	-26.5	178.2	60.3	0	0	0	0	113.9	D253 F254	S164-D253 PolarHBondContact OG-N 2.96Å; S164-D253 VanDerWaalsContact OG-N 3.13Å; S164-F254 PolarHBondContact N-O 2.87Å
165	E	81.3	Confident	84.5	Confident	62 Å²	62	20 Å²	20	29%	0.29	10%	0.104	S	C	.	.	S	Bend	trans	-78.6	157	-177.5	-60.8	-60.9	135.9	0	0	113.1	S163 S168 L169 T252	S163-E165 PolarHBondContact O-N 3.15Å; E165-S168 WeakPolarHBondContact O-CA 3.46Å; E165-S168 PolarHBondContact O-N 3.29Å; E165-L169 HydrophobicContact CB-CB 4.31Å; E165-L169 WeakPolarHBondContact CB-O 3.17Å; E165-T252 HydrophobicContact CG-CG2 3.49Å; E165-T252 VanDerWaalsContact CG-CG2 3.49Å
166	P	71.2	Confident	83.2	Confident	90 Å²	90	22 Å²	22	58%	0.584	12%	0.115	S	C	*	.	G	3₁₀ helix	trans	-52.4	142.5	172.3	-23.9	33.4	0	0	0	112.2	S168 L169	P166-S168 PolarHBondContact O-N 3.27Å; P166-S168 VanDerWaalsContact O-N 3.11Å; P166-L169 PolarHBondContact O-N 3.36Å
167	H	70.6	Confident	82.1	Confident	96 Å²	96	22.4 Å²	22.4	44%	0.444	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	57.2	18.7	-174.2	-57.1	-61.9	0	0	0	114.9	L169 H193	H167-L169 PolarHBondContact O-N 3.17Å; H167-H193 WeakPolarHBondContact CA-CE1 3.03Å; H167-H193 WeakPolarHBondContact CA-NE2 3.34Å; H167-H193 PolarHBondContact N-CE1 3.45Å
168	S	82	Confident	80.6	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	51.8	42.3	-178.4	-66.6	0	0	0	0	113	S162 S163 E165 P166 A188 H193	S162-S168 PolarHBondContact OG-OG 2.79Å; S163-S168 PolarHBondContact N-OG 2.78Å; E165-S168 WeakPolarHBondContact O-CA 3.46Å; E165-S168 PolarHBondContact O-N 3.29Å; P166-S168 PolarHBondContact O-N 3.27Å; P166-S168 VanDerWaalsContact O-N 3.11Å; S168-A188 PolarHBondContact O-N 2.67Å; S168-H193 PolarHBondContact N-ND1 2.82Å; S168-H193 PolarHBondContact OG-ND1 2.77Å
169	L	82.4	Confident	78.8	Confident	31 Å²	31	23.2 Å²	23.2	16%	0.162	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	145.9	168.7	-75.1	161.5	0	0	0	110.2	S163 E165 P166 H167 Y185 R186 Q187 L1161	S163-L169 WeakPolarHBondContact CB-O 3.24Å; S163-L169 PolarHBondContact OG-O 3.17Å; E165-L169 HydrophobicContact CB-CB 4.31Å; E165-L169 WeakPolarHBondContact CB-O 3.17Å; P166-L169 PolarHBondContact O-N 3.36Å; H167-L169 PolarHBondContact O-N 3.17Å; L169-Y185 HydrophobicContact CD2-CD2 4.21Å; L169-R186 CarbonylContact C-O 3.58Å; L169-R186 WeakPolarHBondContact CA-O 3.37Å; L169-Q187 HydrophobicContact CD2-CB 3.93Å; L169-Q187 HydrophobicContact CD2-CG 3.91Å; L169-Q187 HydrophobicContact CG-CG 4.38Å; L169-L1161 HydrophobicContact CD2-CD1 4.32Å
170	C	85.8	Confident	77.2	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	153.1	166.2	74.8	0	0	0	0	112.5	Y185 R186 L249 T252	C170-Y185 CarbonylContact O-C 3.59Å; C170-Y185 VanDerWaalsContact O-CA 3.25Å; C170-Y185 WeakPolarHBondContact O-CA 3.36Å; C170-R186 PolarHBondContact N-O 3.1Å; C170-R186 PolarHBondContact O-N 3.2Å; C170-L249 HydrophobicContact CB-CD1 4.01Å; C170-T252 HydrophobicContact CB-CG2 3.84Å
171	Y	85.1	Confident	75.4	Confident	58 Å²	58	29.8 Å²	29.8	23%	0.227	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.4	178.7	-56.9	-85.3	0	0	0	109.8	K184 R250 N251 T252	Y171-K184 WeakPolarHBondContact CA-O 3.34Å; Y171-R250 WeakPolarHBondContact CB-O 3.45Å; Y171-R250 PolarHBondContact O-N 3.03Å; Y171-R250 VanDerWaalsContact O-O 3.05Å; Y171-N251 HydrophobicContact CD2-CB 4.02Å; Y171-T252 HydrophobicContact CD2-CG2 4.1Å
172	V	85.3	Confident	74.2	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.012	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	133.1	177.6	-69.4	0	0	0	0	110.6	I154 T174 K184 R186 L243 V248 L249	I154-V172 HydrophobicContact CD1-CG1 4.04Å; V172-T174 HydrophobicContact CG2-CG2 4.25Å; V172-K184 HydrophobicContact CG2-CB 4.3Å; V172-K184 WeakPolarHBondContact CG2-O 3.37Å; V172-K184 PolarHBondContact N-O 3.44Å; V172-K184 PolarHBondContact O-N 3.5Å; V172-R186 HydrophobicContact CG2-CG 3.96Å; V172-L243 HydrophobicContact CG1-CD2 3.91Å; V172-V248 CarbonylContact C-O 3.53Å; V172-V248 WeakPolarHBondContact CA-O 3.19Å; V172-L249 HydrophobicContact CG1-CD1 4.29Å
173	E	82.3	Confident	73.3	Confident	37 Å²	37	32 Å²	32	17%	0.173	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	123.6	168.7	-176.4	-177.2	176.8	0	0	108.6	A175 L183 T247 V248 R250	E173-A175 HydrophobicContact CG-CB 4.21Å; E173-L183 HydrophobicContact CB-CD2 4.19Å; E173-T247 WeakPolarHBondContact O-CA 3.26Å; E173-T247 WeakPolarHBondContact O-CB 3.33Å; E173-V248 HydrophobicContact CB-CB 4.21Å; E173-V248 PolarHBondContact N-O 3.37Å; E173-V248 PolarHBondContact O-N 2.91Å; E173-V248 VanDerWaalsContact O-N 3.11Å; E173-R250 HydrophobicContact CB-CG 3.96Å; E173-R250 IonicContact OE2-CZ 3.53Å; E173-R250 VanDerWaalsContact OE2-CZ 3.24Å; E173-R250 IonicContact OE2-NE 3.74Å; E173-R250 PolarHBondContact OE2-NE 2.68Å; E173-R250 IonicContact OE2-NH2 3.53Å; E173-R250 PolarHBondContact OE2-NH2 3.5Å
174	T	75.6	Confident	72.7	Confident	3 Å²	3	34.8 Å²	34.8	2%	0.018	18%	0.182	C	C	.	.			trans	-106.9	23.6	-175.8	56.7	0	0	0	0	113.7	V172 D176 I177 D178 E180 K184 T247	V172-T174 HydrophobicContact CG2-CG2 4.25Å; T174-D176 PolarHBondContact O-N 3.31Å; T174-I177 PolarHBondContact O-N 3Å; T174-D178 PolarHBondContact O-N 3.26Å; T174-E180 CarbonylContact C-O 3.53Å; T174-K184 HydrophobicContact CG2-CB 4.47Å; T174-K184 HydrophobicContact CG2-CD 3.93Å; T174-K184 HydrophobicContact CG2-CG 4.31Å; T174-K184 VanDerWaalsContact OG1-CE 3.27Å; T174-K184 WeakPolarHBondContact OG1-CE 3.3Å; T174-T247 HydrophobicContact CG2-CG2 3.89Å
175	A	65.7	Low	72.4	Confident	7 Å²	7	36.9 Å²	36.9	6%	0.058	19%	0.186	C	C	.	.	H	α-helix	trans	-54.7	-40.8	-178.3	0	0	0	0	0	112.4	E173 I177 G179 E180 T181	E173-A175 HydrophobicContact CG-CB 4.21Å; A175-I177 PolarHBondContact O-N 3.03Å; A175-G179 VanDerWaalsContact O-CA 3.26Å; A175-G179 WeakPolarHBondContact O-CA 3.34Å; A175-G179 PolarHBondContact O-N 3.09Å; A175-E180 WeakPolarHBondContact CA-O 3.43Å; A175-E180 PolarHBondContact N-O 2.65Å; A175-T181 HydrophobicContact CB-CG2 4.37Å
176	D	63.2	Low	72.6	Confident	43 Å²	43	35.2 Å²	35.2	23%	0.23	18%	0.177	C	C	.	.	H	α-helix	trans	-69	-12.7	178.2	-86	23.5	0	0	0	114.7	T174 G246 A842 G862 Q864	T174-D176 PolarHBondContact O-N 3.31Å; D176-G246 WeakPolarHBondContact CB-O 3.47Å; D176-A842 WeakPolarHBondContact O-CB 3.28Å; D176-G862 WeakPolarHBondContact OD1-CA 3.44Å; D176-Q864 PolarHBondContact O-NE2 3.36Å
177	I	66.8	Low	73.3	Confident	8 Å²	8	33.2 Å²	33.2	4%	0.041	16%	0.16	C	C	.	.	H	α-helix	trans	-106.5	-56.7	-179.6	-54.9	-175.1	0	0	0	109.8	T174 A175 L221 L244 T247 I272 N843	T174-I177 PolarHBondContact O-N 3Å; A175-I177 PolarHBondContact O-N 3.03Å; I177-L221 HydrophobicContact CG2-CD1 3.63Å; I177-L221 HydrophobicContact CG2-CD2 4.06Å; I177-L221 HydrophobicContact CG2-CG 4.28Å; I177-L244 HydrophobicContact CD1-CB 3.7Å; I177-L244 HydrophobicContact CD1-CD1 3.68Å; I177-L244 HydrophobicContact CD1-CG 4.33Å; I177-T247 HydrophobicContact CD1-CG2 3.32Å; I177-T247 HydrophobicContact CG1-CG2 4.02Å; I177-I272 HydrophobicContact CD1-CD1 3.64Å; I177-I272 HydrophobicContact CD1-CG1 4.3Å; I177-I272 HydrophobicContact CG1-CD1 3.66Å; I177-I272 HydrophobicContact CG1-CG1 4.22Å; I177-N843 PolarHBondContact O-OD1 3.08Å
178	D	61.8	Low	74.1	Confident	11 Å²	11	28.8 Å²	28.8	6%	0.059	14%	0.14	C	C	.	.	H	α-helix	trans	-106.6	-3	-167.5	-62.5	-31	0	0	0	112.7	T174 E180 K184 Y222 N843	T174-D178 PolarHBondContact O-N 3.26Å; D178-E180 PolarHBondContact O-N 3.24Å; D178-K184 IonicContact OD2-NZ 3.24Å; D178-K184 PolarHBondContact OD2-NZ 3.19Å; D178-Y222 VanDerWaalsContact CG-OH 3.22Å; D178-Y222 PolarHBondContact OD1-OH 3.33Å; D178-N843 WeakPolarHBondContact CA-ND2 3.45Å; D178-N843 PolarHBondContact O-ND2 2.87Å
179	G	54.6	Low	74.3	Confident	7 Å²	7	29.7 Å²	29.7	7%	0.072	15%	0.145	C	C	.	.	S	Bend	trans	66.1	15	-173	0	0	0	0	0	113.3	A175 E861	A175-G179 VanDerWaalsContact O-CA 3.26Å; A175-G179 WeakPolarHBondContact O-CA 3.34Å; A175-G179 PolarHBondContact O-N 3.09Å; G179-E861 VanDerWaalsContact CA-OE2 3.27Å; G179-E861 WeakPolarHBondContact CA-OE2 3.43Å
180	E	60.9	Low	74.1	Confident	78 Å²	78	30.5 Å²	30.5	36%	0.364	16%	0.161	S	C	.	.			trans	-108.8	124.6	177.7	-67.5	177.4	178.7	0	0	109	T174 A175 D178 N182 K184	T174-E180 CarbonylContact C-O 3.53Å; A175-E180 WeakPolarHBondContact CA-O 3.43Å; A175-E180 PolarHBondContact N-O 2.65Å; D178-E180 PolarHBondContact O-N 3.24Å; E180-N182 PolarHBondContact O-N 3.23Å; E180-K184 IonicContact OE2-NZ 3.82Å
181	T	55.1	Low	73.8	Confident	64 Å²	64	31.6 Å²	31.6	39%	0.393	17%	0.17	S	C	.	.			trans	-76.1	-0.5	173.5	52.1	0	0	0	0	113.1	A175 E861	A175-T181 HydrophobicContact CB-CG2 4.37Å; T181-E861 HydrophobicContact CG2-CG 4.36Å
182	N	65.1	Low	73.8	Confident	22 Å²	22	28.9 Å²	28.9	12%	0.118	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-66.9	143.7	179.6	-63.4	-33.5	0	0	0	111.2	E180 A508 P510	E180-N182 PolarHBondContact O-N 3.23Å; N182-A508 VanDerWaalsContact CG-O 3.26Å; N182-A508 PolarHBondContact ND2-O 3.16Å; N182-P510 WeakPolarHBondContact OD1-CD 3.26Å
183	L	71.1	Confident	73.5	Confident	25 Å²	25	30.4 Å²	30.4	13%	0.131	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	127.4	173.6	-65.9	-179.6	0	0	0	110.9	E173 R250 N251 Q506	E173-L183 HydrophobicContact CB-CD2 4.19Å; L183-R250 HydrophobicContact CD2-CB 3.49Å; L183-R250 VanDerWaalsContact CD2-CB 3.49Å; L183-R250 HydrophobicContact CD2-CG 3.72Å; L183-N251 VanDerWaalsContact CD1-ND2 3.33Å; L183-N251 WeakPolarHBondContact CD1-ND2 3.48Å; L183-Q506 HydrophobicContact CD1-CB 4.24Å; L183-Q506 VanDerWaalsContact CD1-OE1 3.23Å
184	K	75.8	Confident	73.2	Confident	58 Å²	58	34.4 Å²	34.4	25%	0.252	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132.7	168.1	-60.8	-171.1	-176.7	-179.1	0	108.5	Y171 V172 T174 D178 E180	Y171-K184 WeakPolarHBondContact CA-O 3.34Å; V172-K184 HydrophobicContact CG2-CB 4.3Å; V172-K184 WeakPolarHBondContact CG2-O 3.37Å; V172-K184 PolarHBondContact N-O 3.44Å; V172-K184 PolarHBondContact O-N 3.5Å; T174-K184 HydrophobicContact CG2-CB 4.47Å; T174-K184 HydrophobicContact CG2-CD 3.93Å; T174-K184 HydrophobicContact CG2-CG 4.31Å; T174-K184 VanDerWaalsContact OG1-CE 3.27Å; T174-K184 WeakPolarHBondContact OG1-CE 3.3Å; D178-K184 IonicContact OD2-NZ 3.24Å; D178-K184 PolarHBondContact OD2-NZ 3.19Å; E180-K184 IonicContact OE2-NZ 3.82Å
185	Y	80.1	Confident	73.1	Confident	72 Å²	72	39.5 Å²	39.5	28%	0.282	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	151.6	173.5	70	-88.3	0	0	0	110.2	L169 C170 P1158 L1161	L169-Y185 HydrophobicContact CD2-CD2 4.21Å; C170-Y185 CarbonylContact O-C 3.59Å; C170-Y185 VanDerWaalsContact O-CA 3.25Å; C170-Y185 WeakPolarHBondContact O-CA 3.36Å; Y185-P1158 HydrophobicContact CD1-CB 4.11Å; Y185-P1158 HydrophobicContact CE1-CB 3.78Å; Y185-L1161 HydrophobicContact CD2-CD1 4.33Å; Y185-L1161 HydrophobicContact CE2-CD1 3.81Å
186	R	85.2	Confident	73.4	Confident	27 Å²	27	39.4 Å²	39.4	10%	0.102	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	149.6	173.5	-61.1	-66.9	-176	176.9	7.2	107.6	L160 L169 C170 V172 N239 E240 L243	L160-R186 HydrophobicContact CD2-CB 4.09Å; L169-R186 CarbonylContact C-O 3.58Å; L169-R186 WeakPolarHBondContact CA-O 3.37Å; C170-R186 PolarHBondContact N-O 3.1Å; C170-R186 PolarHBondContact O-N 3.2Å; V172-R186 HydrophobicContact CG2-CG 3.96Å; R186-N239 PolarHBondContact NH1-ND2 3.28Å; R186-N239 PolarHBondContact NH1-O 3.31Å; R186-E240 WeakPolarHBondContact CA-O 3.34Å; R186-E240 WeakPolarHBondContact CB-O 3.35Å; R186-E240 VanDerWaalsContact CD-O 3.31Å; R186-E240 WeakPolarHBondContact CD-O 3.15Å; R186-L243 HydrophobicContact CB-CD2 3.97Å; R186-L243 HydrophobicContact CG-CD2 3.83Å
187	Q	85.3	Confident	73.2	Confident	49 Å²	49	41 Å²	41	23%	0.229	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	136.3	-176.4	-165.1	177.8	0.1	0	0	109.9	L169 E240 H241	L169-Q187 HydrophobicContact CD2-CB 3.93Å; L169-Q187 HydrophobicContact CD2-CG 3.91Å; L169-Q187 HydrophobicContact CG-CG 4.38Å; Q187-E240 PolarHBondContact N-O 3.5Å; Q187-E240 VanDerWaalsContact N-O 3.17Å; Q187-H241 PolarHBondContact O-CD2 3.36Å
188	A	87.4	Confident	72.5	Confident	3 Å²	3	43.2 Å²	43.2	3%	0.025	24%	0.238	C	C	.	.			trans	-73.3	162.4	171.7	0	0	0	0	0	111	L160 L161 S168	L160-A188 HydrophobicContact CD2-CB 4.29Å; L160-A188 HydrophobicContact CG-CB 4.01Å; L161-A188 VanDerWaalsContact O-CB 3.31Å; L161-A188 WeakPolarHBondContact O-CB 3.32Å; S168-A188 PolarHBondContact O-N 2.67Å
189	L	85.6	Confident	72.2	Confident	19 Å²	19	49.6 Å²	49.6	10%	0.099	27%	0.267	C	S	.	.			trans	-62.3	143	172.7	-75.9	170	0	0	0	110.7	A191 T192 H193 L228 F235 L237	L189-A191 PolarHBondContact O-N 2.79Å; L189-T192 HydrophobicContact CB-CG2 4.33Å; L189-T192 PolarHBondContact N-OG1 3.18Å; L189-T192 PolarHBondContact O-N 2.75Å; L189-T192 PolarHBondContact O-OG1 3.11Å; L189-H193 WeakPolarHBondContact O-CB 3.42Å; L189-H193 PolarHBondContact O-N 2.75Å; L189-L228 HydrophobicContact CD1-CB 4.34Å; L189-L228 HydrophobicContact CD1-CD2 3.78Å; L189-F235 HydrophobicContact CD1-CB 3.69Å; L189-F235 HydrophobicContact CD1-CG 4.32Å; L189-F235 HydrophobicContact CD2-CB 4.29Å; L189-L237 HydrophobicContact CD1-CD2 3.56Å; L189-L237 HydrophobicContact CD2-CD2 4.45Å; L189-L237 HydrophobicContact CG-CD2 4.08Å
190	G	78.9	Confident	72.6	Confident	47 Å²	47	49.8 Å²	49.8	49%	0.485	27%	0.267	S	S	.	.	H	α-helix	trans	-57.5	-36.7	175.7	0	0	0	0	0	112.9	H193 N194	G190-H193 PolarHBondContact O-N 2.56Å; G190-N194 WeakPolarHBondContact O-CB 3.19Å; G190-N194 PolarHBondContact O-N 2.82Å; G190-N194 PolarHBondContact O-ND2 2.84Å
191	A	80.1	Confident	72.8	Confident	23 Å²	23	49.2 Å²	49.2	19%	0.19	27%	0.272	C	S	.	.	H	α-helix	trans	-63.3	-44.7	176.8	0	0	0	0	0	112.6	L189 E195 F235	L189-A191 PolarHBondContact O-N 2.79Å; A191-E195 PolarHBondContact O-N 2.75Å; A191-F235 HydrophobicContact CB-CD1 4.09Å; A191-F235 HydrophobicContact CB-CD2 4.4Å; A191-F235 HydrophobicContact CB-CE1 3.53Å; A191-F235 HydrophobicContact CB-CE2 3.88Å; A191-F235 HydrophobicContact CB-CG 4.49Å; A191-F235 HydrophobicContact CB-CZ 3.41Å; A191-F235 VanDerWaalsContact CB-CZ 3.41Å
192	T	83.4	Confident	73.8	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.006	27%	0.27	C	S	.	.	H	α-helix	trans	-71.3	-35.9	178.1	59.1	0	0	0	0	111.3	L161 L189 L196 L228 W230	L161-T192 HydrophobicContact CD2-CG2 4.26Å; L161-T192 WeakPolarHBondContact O-CB 3.43Å; L161-T192 PolarHBondContact O-OG1 3.39Å; L189-T192 HydrophobicContact CB-CG2 4.33Å; L189-T192 PolarHBondContact N-OG1 3.18Å; L189-T192 PolarHBondContact O-N 2.75Å; L189-T192 PolarHBondContact O-OG1 3.11Å; T192-L196 WeakPolarHBondContact O-CB 3.49Å; T192-L196 PolarHBondContact O-N 3.06Å; T192-L228 HydrophobicContact CG2-CD2 4.02Å; T192-W230 HydrophobicContact CG2-CZ3 4.44Å
193	H	80	Confident	74.3	Confident	34 Å²	34	55 Å²	55	16%	0.157	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-49.2	175.3	177.9	65.3	0	0	0	112.6	H167 S168 L189 G190 T197	H167-H193 WeakPolarHBondContact CA-CE1 3.03Å; H167-H193 WeakPolarHBondContact CA-NE2 3.34Å; H167-H193 PolarHBondContact N-CE1 3.45Å; S168-H193 PolarHBondContact N-ND1 2.82Å; S168-H193 PolarHBondContact OG-ND1 2.77Å; L189-H193 WeakPolarHBondContact O-CB 3.42Å; L189-H193 PolarHBondContact O-N 2.75Å; G190-H193 PolarHBondContact O-N 2.56Å; H193-T197 PolarHBondContact O-N 3.41Å
194	N	76	Confident	74.6	Confident	122 Å²	122	55.4 Å²	55.4	65%	0.652	30%	0.301	S	S	*	.	H	α-helix	trans	-66.9	-39.2	-175.7	-69.3	-15.5	0	0	0	112.4	G190	G190-N194 WeakPolarHBondContact O-CB 3.19Å; G190-N194 PolarHBondContact O-N 2.82Å; G190-N194 PolarHBondContact O-ND2 2.84Å
195	E	73.6	Confident	74.9	Confident	109 Å²	109	52.7 Å²	52.7	51%	0.509	29%	0.289	S	S	.	.	H	α-helix	trans	-92.9	-29.5	-174.2	-68.4	-151.9	175	0	0	114.5	A191 W230 Q231	A191-E195 PolarHBondContact O-N 2.75Å; E195-W230 HydrophobicContact CB-CH2 3.66Å; E195-W230 HydrophobicContact CB-CZ3 4.1Å; E195-W230 HydrophobicContact CG-CH2 4.3Å; E195-W230 HydrophobicContact CG-CZ3 4.45Å; E195-W230 WeakPolarHBondContact OE2-CH2 3.46Å; E195-Q231 PolarHBondContact OE2-NE2 3.13Å
196	L	71.8	Confident	74.9	Confident	6 Å²	6	50.4 Å²	50.4	3%	0.031	29%	0.288	C	S	.	.	H	α-helix	trans	-89.1	-11.9	178.4	-62.7	165.8	0	0	0	112.7	L161 T192 P200 L205 F208	L161-L196 HydrophobicContact CB-CD1 4.3Å; T192-L196 WeakPolarHBondContact O-CB 3.49Å; T192-L196 PolarHBondContact O-N 3.06Å; L196-P200 VanDerWaalsContact O-CA 3.23Å; L196-P200 WeakPolarHBondContact O-CA 3.46Å; L196-P200 WeakPolarHBondContact O-CB 3.19Å; L196-P200 VanDerWaalsContact O-CG 3.28Å; L196-P200 WeakPolarHBondContact O-CG 3.47Å; L196-L205 HydrophobicContact CD2-CD2 4.35Å; L196-F208 HydrophobicContact CD1-CD2 4.4Å
197	T	59.2	Low	74.8	Confident	77 Å²	77	52.7 Å²	52.7	47%	0.472	31%	0.312	S	S	.	.			trans	51.7	165.2	-178.2	60.3	0	0	0	0	115.3	S162 H193 H199 P200	S162-T197 PolarHBondContact OG-O 3.45Å; H193-T197 PolarHBondContact O-N 3.41Å; T197-H199 PolarHBondContact O-N 3.16Å; T197-P200 WeakPolarHBondContact O-CD 3.39Å
198	S	51.8	Low	74.8	Confident	54 Å²	54	50.6 Å²	50.6	38%	0.378	30%	0.303	S	S	.	.	S	Bend	trans	-67.4	-19.4	-177.7	49.6	0	0	0	0	113.9
199	H	54.8	Low	74.8	Confident	144 Å²	144	55.9 Å²	55.9	67%	0.667	33%	0.33	S	S	*	.	S	Bend	trans	-128.2	79.8	168.7	-67	-68.9	0	0	0	109.6	T197 S201 F254	T197-H199 PolarHBondContact O-N 3.16Å; H199-S201 PolarHBondContact O-N 3.35Å; H199-F254 AromaticContact CE1-CZ 3.99Å; H199-F254 AromaticContact ND1-CZ 3.78Å
200	P	62.4	Low	75	Confident	11 Å²	11	55 Å²	55	7%	0.071	33%	0.326	C	S	.	.			trans	-60.1	133.3	176	-10.7	22.2	0	0	0	109.3	L196 T197 L205 Y256	L196-P200 VanDerWaalsContact O-CA 3.23Å; L196-P200 WeakPolarHBondContact O-CA 3.46Å; L196-P200 WeakPolarHBondContact O-CB 3.19Å; L196-P200 VanDerWaalsContact O-CG 3.28Å; L196-P200 WeakPolarHBondContact O-CG 3.47Å; T197-P200 WeakPolarHBondContact O-CD 3.39Å; P200-L205 HydrophobicContact CB-CD1 3.8Å; P200-L205 HydrophobicContact CB-CD2 4.11Å; P200-L205 HydrophobicContact CB-CG 3.65Å; P200-L205 HydrophobicContact CG-CD1 4.11Å; P200-L205 HydrophobicContact CG-CD2 4.27Å; P200-L205 HydrophobicContact CG-CG 4.23Å; P200-Y256 HydrophobicContact CG-CD2 3.93Å; P200-Y256 HydrophobicContact CG-CE2 3.73Å
201	S	66.1	Low	75.6	Confident	66 Å²	66	54.2 Å²	54.2	46%	0.462	31%	0.312	S	S	.	.			trans	-61.3	141	162.1	60.9	0	0	0	0	108.3	H199 E203 A204 L205	H199-S201 PolarHBondContact O-N 3.35Å; S201-E203 PolarHBondContact O-N 3.46Å; S201-A204 WeakPolarHBondContact O-CB 3.38Å; S201-A204 PolarHBondContact O-N 3.17Å; S201-A204 WeakPolarHBondContact OG-CB 3.18Å; S201-A204 PolarHBondContact OG-N 3.35Å; S201-L205 PolarHBondContact O-N 2.95Å
202	E	76.6	Confident	76.1	Confident	76 Å²	76	53.1 Å²	53.1	36%	0.355	30%	0.302	S	S	.	.	H	α-helix	trans	-57.4	-25	179	-59.3	-172.8	161.5	0	0	111.3	Q130 S131 F132 G206	Q130-E202 VanDerWaalsContact O-CB 3.31Å; Q130-E202 WeakPolarHBondContact O-CB 3.3Å; S131-E202 WeakPolarHBondContact CA-OE2 2.9Å; F132-E202 HydrophobicContact CD2-CG 4.24Å; F132-E202 HydrophobicContact CE2-CG 4.32Å; E202-G206 PolarHBondContact O-N 3.39Å
203	E	74.5	Confident	76.4	Confident	131 Å²	131	54.4 Å²	54.4	61%	0.612	31%	0.309	S	S	*	.	H	α-helix	trans	-65.1	-44.1	171.3	-62.4	179.1	-177.9	0	0	113.4	S201 G206 A207	S201-E203 PolarHBondContact O-N 3.46Å; E203-G206 CarbonylContact O-C 3.6Å; E203-G206 PolarHBondContact O-N 3.02Å; E203-A207 WeakPolarHBondContact O-CB 3.32Å; E203-A207 PolarHBondContact O-N 3.04Å
204	A	77.8	Confident	76.9	Confident	35 Å²	35	52.8 Å²	52.8	29%	0.289	30%	0.302	S	S	.	.	H	α-helix	trans	-65.5	-40.2	178.1	0	0	0	0	0	111.6	S201 G206 A207 F208	S201-A204 WeakPolarHBondContact O-CB 3.38Å; S201-A204 PolarHBondContact O-N 3.17Å; S201-A204 WeakPolarHBondContact OG-CB 3.18Å; S201-A204 PolarHBondContact OG-N 3.35Å; A204-G206 VanDerWaalsContact C-N 3.32Å; A204-A207 PolarHBondContact O-N 3.49Å; A204-F208 PolarHBondContact O-N 2.89Å; A204-F208 VanDerWaalsContact O-N 3.14Å
205	L	82	Confident	77.5	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-67.1	-33.9	173.1	-69.3	169.2	0	0	0	112.1	N17 L127 F132 L145 L196 P200 S201 F208 Y256	N17-L205 PolarHBondContact ND2-O 3.2Å; L127-L205 HydrophobicContact CD2-CB 3.86Å; F132-L205 HydrophobicContact CE2-CD1 4.13Å; F132-L205 HydrophobicContact CZ-CD1 4.05Å; L145-L205 HydrophobicContact CD2-CD2 4.01Å; L196-L205 HydrophobicContact CD2-CD2 4.35Å; P200-L205 HydrophobicContact CB-CD1 3.8Å; P200-L205 HydrophobicContact CB-CD2 4.11Å; P200-L205 HydrophobicContact CB-CG 3.65Å; P200-L205 HydrophobicContact CG-CD1 4.11Å; P200-L205 HydrophobicContact CG-CD2 4.27Å; P200-L205 HydrophobicContact CG-CG 4.23Å; S201-L205 PolarHBondContact O-N 2.95Å; L205-F208 WeakPolarHBondContact O-CB 3.34Å; L205-Y256 HydrophobicContact CD1-CD1 3.84Å; L205-Y256 HydrophobicContact CD1-CD2 4.35Å; L205-Y256 HydrophobicContact CD1-CE1 3.79Å; L205-Y256 HydrophobicContact CD1-CE2 4.3Å; L205-Y256 HydrophobicContact CD1-CG 4.12Å
206	G	80.9	Confident	78.1	Confident	25 Å²	25	48.3 Å²	48.3	26%	0.258	28%	0.277	S	S	.	.	H	α-helix	trans	-68.6	-34.5	173.2	0	0	0	0	0	113.2	N17 E202 E203 A204 F208	N17-G206 PolarHBondContact ND2-O 3.31Å; E202-G206 PolarHBondContact O-N 3.39Å; E203-G206 CarbonylContact O-C 3.6Å; E203-G206 PolarHBondContact O-N 3.02Å; A204-G206 VanDerWaalsContact C-N 3.32Å; G206-F208 VanDerWaalsContact C-N 3.32Å
207	A	83.1	Confident	78.8	Confident	74 Å²	74	48.2 Å²	48.2	61%	0.612	28%	0.277	S	S	*	.	H	α-helix	trans	-78.1	-14	177.9	0	0	0	0	0	113.7	E203 A204 N209	E203-A207 WeakPolarHBondContact O-CB 3.32Å; E203-A207 PolarHBondContact O-N 3.04Å; A204-A207 PolarHBondContact O-N 3.49Å; A207-N209 PolarHBondContact O-N 3.34Å; A207-N209 VanDerWaalsContact O-N 3.15Å
208	F	85.7	Confident	80	Confident	5 Å²	5	45.8 Å²	45.8	2%	0.022	26%	0.261	C	S	.	.			trans	-60.5	115.9	178.1	-178.9	-104.3	0	0	0	111.6	A16 N17 L145 L161 L196 A204 L205 G206 L228 W230 L258	A16-F208 HydrophobicContact CB-CD1 3.5Å; A16-F208 VanDerWaalsContact CB-CD1 3.5Å; A16-F208 HydrophobicContact CB-CE1 3.57Å; N17-F208 PolarHBondContact ND2-O 3.19Å; L145-F208 HydrophobicContact CD1-CD1 4.28Å; L161-F208 HydrophobicContact CD1-CD1 4.41Å; L161-F208 HydrophobicContact CD1-CE1 4.18Å; L161-F208 HydrophobicContact CD2-CE1 4.21Å; L161-F208 HydrophobicContact CD2-CZ 3.94Å; L196-F208 HydrophobicContact CD1-CD2 4.4Å; A204-F208 PolarHBondContact O-N 2.89Å; A204-F208 VanDerWaalsContact O-N 3.14Å; L205-F208 WeakPolarHBondContact O-CB 3.34Å; G206-F208 VanDerWaalsContact C-N 3.32Å; F208-L228 HydrophobicContact CZ-CD1 4.23Å; F208-W230 HydrophobicContact CD2-CD2 4.28Å; F208-W230 AromaticContact CD2-CE2 3.67Å; F208-W230 AromaticContact CD2-CZ2 3.81Å; F208-W230 HydrophobicContact CD2-CZ2 3.81Å; F208-W230 AromaticContact CD2-NE1 3.76Å; F208-W230 AromaticContact CE2-CD2 3.79Å; F208-W230 HydrophobicContact CE2-CD2 3.79Å; F208-W230 AromaticContact CE2-CE2 3.68Å; F208-W230 HydrophobicContact CE2-CE3 4.31Å; F208-W230 HydrophobicContact CE2-CG 4.08Å; F208-W230 HydrophobicContact CE2-CZ2 4.1Å; F208-W230 AromaticContact CE2-NE1 3.87Å; F208-L258 HydrophobicContact CE1-CD2 4.46Å
209	N	86.9	Confident	81.1	Confident	114 Å²	114	47.6 Å²	47.6	61%	0.61	27%	0.266	S	S	*	.			trans	-119.7	29.9	-172.8	66.8	-14.7	0	0	0	113.3	A207 W230	A207-N209 PolarHBondContact O-N 3.34Å; A207-N209 VanDerWaalsContact O-N 3.15Å; N209-W230 PolarHBondContact OD1-NE1 3.05Å
210	G	88.3	Confident	82.3	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.263	C	S	.	.			trans	-66.7	146.7	179.6	0	0	0	0	0	114	A16	A16-G210 WeakPolarHBondContact CB-O 3.42Å; A16-G210 PolarHBondContact N-O 3.34Å
211	V	91.6	Very high	82.9	Confident	31 Å²	31	49 Å²	49	19%	0.188	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.8	171.6	-175.8	0	0	0	0	109	E13 K15 Q229	E13-V211 HydrophobicContact CG-CG1 3.8Å; K15-V211 HydrophobicContact CG-CG1 4.4Å; K15-V211 HydrophobicContact CG-CG2 4.22Å; V211-Q229 HydrophobicContact CB-CB 4.46Å; V211-Q229 PolarHBondContact N-O 2.89Å; V211-Q229 PolarHBondContact O-N 3.25Å
212	V	91.4	Very high	83.5	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	123.4	176.9	179.8	0	0	0	0	109	E13 V14 L159 C214 Q227 L228 L237 L258	E13-V212 CarbonylContact C-O 3.53Å; E13-V212 WeakPolarHBondContact CA-O 2.72Å; V14-V212 HydrophobicContact CB-CB 4.31Å; V14-V212 PolarHBondContact N-O 2.99Å; V14-V212 PolarHBondContact O-N 3.33Å; L159-V212 HydrophobicContact CD2-CG2 3.74Å; V212-C214 HydrophobicContact CG1-CB 4.38Å; V212-Q227 WeakPolarHBondContact CA-O 3.28Å; V212-L228 HydrophobicContact CG2-CD1 3.7Å; V212-L237 HydrophobicContact CG1-CD1 3.82Å; V212-L258 HydrophobicContact CG2-CD2 3.86Å
213	L	90.9	Very high	83.8	Confident	29 Å²	29	51.7 Å²	51.7	15%	0.152	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	113.3	170.6	-73.1	161.6	0	0	0	108.3	W12 E13 G226 Q227 Q229	W12-L213 CarbonylContact O-C 3.42Å; W12-L213 WeakPolarHBondContact O-CA 3.37Å; E13-L213 HydrophobicContact CB-CD2 4.01Å; E13-L213 HydrophobicContact CG-CD2 4.09Å; L213-G226 CarbonylContact O-C 3.55Å; L213-G226 WeakPolarHBondContact O-CA 3.39Å; L213-Q227 PolarHBondContact N-O 3.48Å; L213-Q227 PolarHBondContact O-N 3.07Å; L213-Q229 HydrophobicContact CD1-CG 4.46Å
214	C	89.6	Confident	84.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	172.7	-177.3	64.4	0	0	0	0	113.1	L10 T11 W12 V212 F224	L10-C214 CarbonylContact C-O 3.58Å; T11-C214 PolarHBondContact N-O 3.16Å; W12-C214 VanDerWaalsContact CB-O 3.28Å; W12-C214 WeakPolarHBondContact CB-O 3.5Å; W12-C214 VanDerWaalsContact CD1-SG 3.55Å; W12-C214 PolarHBondContact N-O 3.18Å; W12-C214 PolarHBondContact O-N 3.22Å; V212-C214 HydrophobicContact CG1-CB 4.38Å; C214-F224 HydrophobicContact CB-CE2 4.04Å; C214-F224 HydrophobicContact CB-CZ 3.67Å
215	E	89	Confident	85	Confident	24 Å²	24	53.1 Å²	53.1	11%	0.112	26%	0.264	C	S	.	.			trans	-58.9	155.8	171.8	61.4	179.7	-175.4	0	0	112.1	W12 N218 R225 Y261 K271	W12-E215 WeakPolarHBondContact CB-O 3.47Å; E215-N218 PolarHBondContact OE1-ND2 3.2Å; E215-N218 PolarHBondContact OE2-ND2 3.4Å; E215-R225 PolarHBondContact N-O 2.77Å; E215-R225 VanDerWaalsContact N-O 3.1Å; E215-Y261 PolarHBondContact O-OH 3.44Å; E215-K271 IonicContact OE1-NZ 2.9Å; E215-K271 PolarHBondContact OE1-NZ 2.86Å
216	E	86.3	Confident	85.3	Confident	112 Å²	112	53.3 Å²	53.3	52%	0.523	27%	0.266	S	S	.	.			trans	-62.9	148.1	170.5	-66.1	-163.7	163.3	0	0	111.1	T11 N218	T11-E216 WeakPolarHBondContact OG1-CG 3.33Å; T11-E216 PolarHBondContact OG1-OE1 2.91Å; T11-E216 VanDerWaalsContact OG1-OE1 3.06Å; E216-N218 PolarHBondContact O-N 3.11Å; E216-N218 VanDerWaalsContact O-N 3.08Å
217	P	85.1	Confident	85.9	Confident	5 Å²	5	55.4 Å²	55.4	3%	0.032	27%	0.268	C	S	.	.			trans	-43.5	119.8	172.2	-33.3	37.2	0	0	0	112	W12 Y261 D269 R274	W12-P217 HydrophobicContact CD2-CG 4.26Å; W12-P217 HydrophobicContact CE3-CG 4.15Å; W12-P217 HydrophobicContact CH2-CG 3.83Å; W12-P217 HydrophobicContact CZ2-CG 3.94Å; W12-P217 HydrophobicContact CZ3-CG 3.95Å; P217-Y261 HydrophobicContact CB-CE1 4.44Å; P217-Y261 HydrophobicContact CG-CD1 3.75Å; P217-Y261 HydrophobicContact CG-CE1 3.66Å; P217-D269 HydrophobicContact CB-CB 4.02Å; P217-D269 WeakPolarHBondContact CB-O 3.48Å; P217-D269 HydrophobicContact CG-CB 3.67Å; P217-R274 PolarHBondContact O-NE 2.85Å; P217-R274 PolarHBondContact O-NH1 3.45Å; P217-R274 PolarHBondContact O-NH2 3.31Å; P217-R274 VanDerWaalsContact O-NH2 3.15Å
218	N	84.2	Confident	86.3	Confident	26 Å²	26	51.9 Å²	51.9	14%	0.139	24%	0.239	C	C	.	.			trans	-131.9	179.8	-178.7	69	39.5	0	0	0	110.9	E215 E216 R220 K271	E215-N218 PolarHBondContact OE1-ND2 3.2Å; E215-N218 PolarHBondContact OE2-ND2 3.4Å; E216-N218 PolarHBondContact O-N 3.11Å; E216-N218 VanDerWaalsContact O-N 3.08Å; N218-R220 PolarHBondContact OD1-N 3.18Å; N218-K271 WeakPolarHBondContact OD1-CE 3.35Å
219	N	75.8	Confident	86.6	Confident	91 Å²	91	55.4 Å²	55.4	49%	0.487	26%	0.256	S	S	.	.	S	Bend	trans	-103.6	15.8	-177.6	72.3	-29.2	0	0	0	112.3	R274 N275	N219-R274 HydrophobicContact CB-CG 4.46Å; N219-N275 VanDerWaalsContact CB-OD1 3.31Å; N219-N275 WeakPolarHBondContact CB-OD1 3.35Å; N219-N275 VanDerWaalsContact O-CG 3.23Å; N219-N275 PolarHBondContact O-ND2 3.18Å; N219-N275 PolarHBondContact O-OD1 3.17Å
220	R	79.6	Confident	86.6	Confident	161 Å²	161	50.9 Å²	50.9	61%	0.608	23%	0.23	S	C	*	.			trans	-97.3	105.3	-177.6	-59.1	178	179.8	169.2	-1.4	110.3	N218 T223 K271	N218-R220 PolarHBondContact OD1-N 3.18Å; R220-T223 WeakPolarHBondContact CB-OG1 3.38Å; R220-K271 WeakPolarHBondContact O-CD 3.49Å; R220-K271 PolarHBondContact O-NZ 3.03Å
221	L	76.4	Confident	86.3	Confident	24 Å²	24	57 Å²	57	13%	0.126	26%	0.259	C	S	.	.	S	Bend	trans	-71.8	-35.2	-173.2	-65	163.6	0	0	0	113.9	I177 N239 L244 K271 I272 N275	I177-L221 HydrophobicContact CG2-CD1 3.63Å; I177-L221 HydrophobicContact CG2-CD2 4.06Å; I177-L221 HydrophobicContact CG2-CG 4.28Å; L221-N239 PolarHBondContact O-OD1 3.01Å; L221-L244 HydrophobicContact CD2-CD1 4.29Å; L221-K271 HydrophobicContact CD2-CB 4.11Å; L221-I272 HydrophobicContact CD2-CG1 3.82Å; L221-N275 VanDerWaalsContact CG-ND2 3.26Å; L221-N275 WeakPolarHBondContact CG-ND2 3.25Å
222	Y	78.4	Confident	85.7	Confident	133 Å²	133	59.4 Å²	59.4	52%	0.522	29%	0.29	S	S	.	.	S	Bend	trans	-95.1	-4.2	-173.7	-52.6	-63.2	0	0	0	114.3	D178 N239	D178-Y222 VanDerWaalsContact CG-OH 3.22Å; D178-Y222 PolarHBondContact OD1-OH 3.33Å; Y222-N239 PolarHBondContact O-ND2 3.36Å
223	T	82.2	Confident	85.4	Confident	65 Å²	65	65.3 Å²	65.3	40%	0.399	32%	0.318	S	S	.	.			trans	-119.4	128.6	179.9	61.5	0	0	0	0	108.9	R220 K271	R220-T223 WeakPolarHBondContact CB-OG1 3.38Å; T223-K271 PolarHBondContact O-NZ 2.85Å
224	F	87.9	Confident	85.1	Confident	8 Å²	8	67.9 Å²	67.9	4%	0.035	34%	0.337	C	S	.	.			trans	-138.5	137.1	168	179.2	-99.1	0	0	0	107.9	C214 L237 N239 V242 I260 Y261	C214-F224 HydrophobicContact CB-CE2 4.04Å; C214-F224 HydrophobicContact CB-CZ 3.67Å; F224-L237 HydrophobicContact CD1-CB 4.39Å; F224-L237 HydrophobicContact CE1-CB 3.93Å; F224-L237 HydrophobicContact CE1-CD1 4.38Å; F224-N239 HydrophobicContact CB-CB 4.26Å; F224-V242 HydrophobicContact CB-CG2 4.43Å; F224-V242 HydrophobicContact CD1-CG2 3.46Å; F224-V242 VanDerWaalsContact CD1-CG2 3.46Å; F224-V242 HydrophobicContact CD2-CG2 4.21Å; F224-V242 HydrophobicContact CE1-CG2 3.6Å; F224-V242 HydrophobicContact CE2-CG2 4.32Å; F224-V242 HydrophobicContact CG-CG2 3.78Å; F224-V242 HydrophobicContact CZ-CG2 4.03Å; F224-I260 HydrophobicContact CE2-CD1 4.37Å; F224-I260 HydrophobicContact CZ-CD1 3.83Å; F224-Y261 HydrophobicContact CE2-CE2 4.08Å
225	R	89.1	Confident	85	Confident	189 Å²	189	70 Å²	70	71%	0.713	35%	0.346	S	S	*	.			trans	-129.6	126.5	175.2	-67.8	-175.1	177.7	-170.4	-1.7	108.8	L10 E215	L10-R225 HydrophobicContact CD2-CB 4.41Å; E215-R225 PolarHBondContact N-O 2.77Å; E215-R225 VanDerWaalsContact N-O 3.1Å
226	G	89.7	Confident	85	Confident	4 Å²	4	74 Å²	74	4%	0.041	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	177.8	172.8	0	0	0	0	0	112.1	L213 L237	L213-G226 CarbonylContact O-C 3.55Å; L213-G226 WeakPolarHBondContact O-CA 3.39Å; G226-L237 PolarHBondContact N-O 3.33Å; G226-L237 VanDerWaalsContact N-O 3.07Å; G226-L237 WeakPolarHBondContact O-CB 3.29Å; G226-L237 PolarHBondContact O-N 3.25Å
227	Q	91.9	Very high	85.1	Confident	68 Å²	68	68.7 Å²	68.7	32%	0.318	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	133.1	174.5	-65.7	179.5	-4.2	0	0	108.4	L10 V212 L213 F235	L10-Q227 HydrophobicContact CD1-CG 4.05Å; V212-Q227 WeakPolarHBondContact CA-O 3.28Å; L213-Q227 PolarHBondContact N-O 3.48Å; L213-Q227 PolarHBondContact O-N 3.07Å; Q227-F235 CarbonylContact C-O 3.55Å; Q227-F235 VanDerWaalsContact CA-O 3.24Å; Q227-F235 WeakPolarHBondContact CA-O 3.41Å
228	L	91.8	Very high	85.2	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	116.6	169.6	173.4	66.7	0	0	0	108.2	L189 T192 F208 V212 W230 F235 L237	L189-L228 HydrophobicContact CD1-CB 4.34Å; L189-L228 HydrophobicContact CD1-CD2 3.78Å; T192-L228 HydrophobicContact CG2-CD2 4.02Å; F208-L228 HydrophobicContact CZ-CD1 4.23Å; V212-L228 HydrophobicContact CG2-CD1 3.7Å; L228-W230 HydrophobicContact CG-CB 4.24Å; L228-F235 HydrophobicContact CB-CB 4.38Å; L228-F235 PolarHBondContact N-O 3.48Å; L228-F235 PolarHBondContact O-N 2.88Å; L228-L237 HydrophobicContact CB-CD1 4.14Å; L228-L237 HydrophobicContact CB-CD2 4.36Å; L228-L237 HydrophobicContact CB-CG 4.29Å
229	Q	91.8	Very high	85.3	Confident	80 Å²	80	73 Å²	73	37%	0.374	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	113.9	169.2	-64.7	-175.6	-12.5	0	0	108.7	V211 L213 E233	V211-Q229 HydrophobicContact CB-CB 4.46Å; V211-Q229 PolarHBondContact N-O 2.89Å; V211-Q229 PolarHBondContact O-N 3.25Å; L213-Q229 HydrophobicContact CD1-CG 4.46Å; Q229-E233 WeakPolarHBondContact CA-O 3.26Å
230	W	87.3	Confident	85.7	Confident	18 Å²	18	73 Å²	73	7%	0.068	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	132.6	179.9	-170.1	41.9	0	0	0	110.4	T192 E195 F208 N209 L228 G232 E233	T192-W230 HydrophobicContact CG2-CZ3 4.44Å; E195-W230 HydrophobicContact CB-CH2 3.66Å; E195-W230 HydrophobicContact CB-CZ3 4.1Å; E195-W230 HydrophobicContact CG-CH2 4.3Å; E195-W230 HydrophobicContact CG-CZ3 4.45Å; E195-W230 WeakPolarHBondContact OE2-CH2 3.46Å; F208-W230 HydrophobicContact CD2-CD2 4.28Å; F208-W230 AromaticContact CD2-CE2 3.67Å; F208-W230 AromaticContact CD2-CZ2 3.81Å; F208-W230 HydrophobicContact CD2-CZ2 3.81Å; F208-W230 AromaticContact CD2-NE1 3.76Å; F208-W230 AromaticContact CE2-CD2 3.79Å; F208-W230 HydrophobicContact CE2-CD2 3.79Å; F208-W230 AromaticContact CE2-CE2 3.68Å; F208-W230 HydrophobicContact CE2-CE3 4.31Å; F208-W230 HydrophobicContact CE2-CG 4.08Å; F208-W230 HydrophobicContact CE2-CZ2 4.1Å; F208-W230 AromaticContact CE2-NE1 3.87Å; N209-W230 PolarHBondContact OD1-NE1 3.05Å; L228-W230 HydrophobicContact CG-CB 4.24Å; W230-G232 PolarHBondContact O-N 2.94Å; W230-G232 VanDerWaalsContact O-N 3.08Å; W230-E233 PolarHBondContact N-O 3.49Å; W230-E233 PolarHBondContact O-N 3.29Å
231	Q	82.7	Confident	86.2	Confident	129 Å²	129	66.5 Å²	66.5	60%	0.603	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	26.3	-177.5	-55.2	-173.9	11	0	0	115.9	E195 E233	E195-Q231 PolarHBondContact OE2-NE2 3.13Å; Q231-E233 VanDerWaalsContact C-N 3.33Å
232	G	78.8	Confident	86.9	Confident	82 Å²	82	65.5 Å²	65.5	85%	0.845	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-2.9	-178.7	0	0	0	0	0	114.6	W230	W230-G232 PolarHBondContact O-N 2.94Å; W230-G232 VanDerWaalsContact O-N 3.08Å
233	E	84.9	Confident	87.6	Confident	123 Å²	123	59.2 Å²	59.2	58%	0.575	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101	152.1	172	-63	-163	158.3	0	0	111.9	Q229 W230 Q231 F235	Q229-E233 WeakPolarHBondContact CA-O 3.26Å; W230-E233 PolarHBondContact N-O 3.49Å; W230-E233 PolarHBondContact O-N 3.29Å; Q231-E233 VanDerWaalsContact C-N 3.33Å; E233-F235 HydrophobicContact CB-CE2 3.9Å; E233-F235 HydrophobicContact CB-CZ 3.81Å; E233-F235 VanDerWaalsContact OE2-CZ 3.24Å; E233-F235 WeakPolarHBondContact OE2-CZ 3.35Å
234	C	85.4	Confident	87.9	Confident	83 Å²	83	56.5 Å²	56.5	56%	0.561	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	113.5	179.2	-68.5	0	0	0	0	110
235	F	87.6	Confident	87.9	Confident	44 Å²	44	57 Å²	57	19%	0.193	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	133.1	176.6	-56.5	-77.2	0	0	0	110.8	L189 A191 Q227 L228 E233	L189-F235 HydrophobicContact CD1-CB 3.69Å; L189-F235 HydrophobicContact CD1-CG 4.32Å; L189-F235 HydrophobicContact CD2-CB 4.29Å; A191-F235 HydrophobicContact CB-CD1 4.09Å; A191-F235 HydrophobicContact CB-CD2 4.4Å; A191-F235 HydrophobicContact CB-CE1 3.53Å; A191-F235 HydrophobicContact CB-CE2 3.88Å; A191-F235 HydrophobicContact CB-CG 4.49Å; A191-F235 HydrophobicContact CB-CZ 3.41Å; A191-F235 VanDerWaalsContact CB-CZ 3.41Å; Q227-F235 CarbonylContact C-O 3.55Å; Q227-F235 VanDerWaalsContact CA-O 3.24Å; Q227-F235 WeakPolarHBondContact CA-O 3.41Å; L228-F235 HydrophobicContact CB-CB 4.38Å; L228-F235 PolarHBondContact N-O 3.48Å; L228-F235 PolarHBondContact O-N 2.88Å; E233-F235 HydrophobicContact CB-CE2 3.9Å; E233-F235 HydrophobicContact CB-CZ 3.81Å; E233-F235 VanDerWaalsContact OE2-CZ 3.24Å; E233-F235 WeakPolarHBondContact OE2-CZ 3.35Å
236	L	88.4	Confident	87.5	Confident	108 Å²	108	48.4 Å²	48.4	57%	0.565	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	132.2	178.4	-172.6	132.1	0	0	0	110.7	E238	L236-E238 HydrophobicContact CD2-CG 3.53Å
237	L	88.9	Confident	87.3	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123.3	178.9	-61.8	174.5	0	0	0	110.9	L159 L189 V212 F224 G226 L228 H241	L159-L237 HydrophobicContact CD1-CD1 3.98Å; L159-L237 HydrophobicContact CD1-CD2 3.64Å; L159-L237 HydrophobicContact CD1-CG 4.39Å; L159-L237 HydrophobicContact CD2-CD1 4.06Å; L159-L237 HydrophobicContact CD2-CD2 4.47Å; L189-L237 HydrophobicContact CD1-CD2 3.56Å; L189-L237 HydrophobicContact CD2-CD2 4.45Å; L189-L237 HydrophobicContact CG-CD2 4.08Å; V212-L237 HydrophobicContact CG1-CD1 3.82Å; F224-L237 HydrophobicContact CD1-CB 4.39Å; F224-L237 HydrophobicContact CE1-CB 3.93Å; F224-L237 HydrophobicContact CE1-CD1 4.38Å; G226-L237 PolarHBondContact N-O 3.33Å; G226-L237 VanDerWaalsContact N-O 3.07Å; G226-L237 WeakPolarHBondContact O-CB 3.29Å; G226-L237 PolarHBondContact O-N 3.25Å; L228-L237 HydrophobicContact CB-CD1 4.14Å; L228-L237 HydrophobicContact CB-CD2 4.36Å; L228-L237 HydrophobicContact CB-CG 4.29Å; L237-H241 HydrophobicContact CD2-CB 4.32Å
238	E	87.1	Confident	87.1	Confident	97 Å²	97	46.1 Å²	46.1	45%	0.453	25%	0.251	S	S	.	.			trans	-110.2	177.5	171.3	-54.2	-166.9	172.2	0	0	112.1	L236 E240 H241	L236-E238 HydrophobicContact CD2-CG 3.53Å; E238-E240 PolarHBondContact O-N 3.16Å; E238-H241 PolarHBondContact N-ND1 2.93Å; E238-H241 VanDerWaalsContact N-ND1 3.16Å; E238-H241 PolarHBondContact O-N 2.91Å; E238-H241 PolarHBondContact O-ND1 3.23Å
239	N	85.1	Confident	87	Confident	24 Å²	24	46.1 Å²	46.1	13%	0.128	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-59.1	-27.4	179.9	-166.4	50	0	0	0	113.6	R186 L221 Y222 F224 H241 V242	R186-N239 PolarHBondContact NH1-ND2 3.28Å; R186-N239 PolarHBondContact NH1-O 3.31Å; L221-N239 PolarHBondContact O-OD1 3.01Å; Y222-N239 PolarHBondContact O-ND2 3.36Å; F224-N239 HydrophobicContact CB-CB 4.26Å; N239-H241 PolarHBondContact O-N 2.83Å; N239-V242 PolarHBondContact O-N 3.05Å
240	E	84.5	Confident	86.7	Confident	92 Å²	92	45.8 Å²	45.8	43%	0.43	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-62.2	-21.5	179.4	-61.6	-172.9	171.3	0	0	113.7	R186 Q187 E238	R186-E240 WeakPolarHBondContact CA-O 3.34Å; R186-E240 WeakPolarHBondContact CB-O 3.35Å; R186-E240 VanDerWaalsContact CD-O 3.31Å; R186-E240 WeakPolarHBondContact CD-O 3.15Å; Q187-E240 PolarHBondContact N-O 3.5Å; Q187-E240 VanDerWaalsContact N-O 3.17Å; E238-E240 PolarHBondContact O-N 3.16Å
241	H	90.3	Very high	86.2	Confident	24 Å²	24	46.2 Å²	46.2	11%	0.111	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-95.3	-2	-178	-47.2	94.5	0	0	0	113.4	L159 L160 Q187 L237 E238 N239	L159-H241 HydrophobicContact CD1-CB 3.94Å; L160-H241 WeakPolarHBondContact CB-O 3.41Å; L160-H241 PolarHBondContact N-O 2.68Å; Q187-H241 PolarHBondContact O-CD2 3.36Å; L237-H241 HydrophobicContact CD2-CB 4.32Å; E238-H241 PolarHBondContact N-ND1 2.93Å; E238-H241 VanDerWaalsContact N-ND1 3.16Å; E238-H241 PolarHBondContact O-N 2.91Å; E238-H241 PolarHBondContact O-ND1 3.23Å; N239-H241 PolarHBondContact O-N 2.83Å
242	V	91.5	Very high	86.3	Confident	3 Å²	3	40.1 Å²	40.1	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.4	-173.7	179.5	0	0	0	0	111.5	L158 F224 N239 L244 I260	L158-V242 CarbonylContact O-C 3.53Å; L158-V242 WeakPolarHBondContact O-CA 3.46Å; L158-V242 WeakPolarHBondContact O-CG1 3.44Å; F224-V242 HydrophobicContact CB-CG2 4.43Å; F224-V242 HydrophobicContact CD1-CG2 3.46Å; F224-V242 VanDerWaalsContact CD1-CG2 3.46Å; F224-V242 HydrophobicContact CD2-CG2 4.21Å; F224-V242 HydrophobicContact CE1-CG2 3.6Å; F224-V242 HydrophobicContact CE2-CG2 4.32Å; F224-V242 HydrophobicContact CG-CG2 3.78Å; F224-V242 HydrophobicContact CZ-CG2 4.03Å; N239-V242 PolarHBondContact O-N 3.05Å; V242-L244 HydrophobicContact CG1-CD2 4.03Å; V242-I260 HydrophobicContact CG2-CD1 4.4Å
243	L	92.1	Very high	86.6	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	122.9	170.4	-51.9	-176.9	0	0	0	108.9	I154 D157 L158 L160 V172 R186	I154-L243 HydrophobicContact CD1-CB 3.91Å; I154-L243 HydrophobicContact CD1-CD1 4.19Å; I154-L243 HydrophobicContact CG2-CB 4.48Å; D157-L243 CarbonylContact C-O 3.48Å; D157-L243 WeakPolarHBondContact CA-O 3.31Å; L158-L243 HydrophobicContact CB-CB 4.27Å; L158-L243 PolarHBondContact N-O 3.43Å; L158-L243 PolarHBondContact O-N 3.45Å; L160-L243 HydrophobicContact CB-CG 4.33Å; L160-L243 HydrophobicContact CD1-CD1 4.23Å; V172-L243 HydrophobicContact CG1-CD2 3.91Å; R186-L243 HydrophobicContact CB-CD2 3.97Å; R186-L243 HydrophobicContact CG-CD2 3.83Å
244	L	89.6	Confident	86.9	Confident	7 Å²	7	36.6 Å²	36.6	4%	0.037	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-89.5	148.2	-177.1	-61.9	176.5	0	0	0	110.9	I177 L221 V242 T247 K271 I272	I177-L244 HydrophobicContact CD1-CB 3.7Å; I177-L244 HydrophobicContact CD1-CD1 3.68Å; I177-L244 HydrophobicContact CD1-CG 4.33Å; L221-L244 HydrophobicContact CD2-CD1 4.29Å; V242-L244 HydrophobicContact CG1-CD2 4.03Å; L244-T247 HydrophobicContact CB-CG2 4.25Å; L244-T247 PolarHBondContact O-N 3.31Å; L244-T247 PolarHBondContact O-OG1 2.91Å; L244-K271 HydrophobicContact CD2-CD 4.23Å; L244-I272 HydrophobicContact CB-CD1 4.24Å
245	R	87.3	Confident	87.2	Confident	19 Å²	19	32.7 Å²	32.7	7%	0.072	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	146.2	173.9	178.3	173.5	172	117.6	-0.1	111.4	N41 I154 P155 D157 T247 T270 I272	N41-R245 PolarHBondContact OD1-NH1 3.41Å; I154-R245 CarbonylContact O-C 3.55Å; I154-R245 WeakPolarHBondContact O-CA 3.44Å; P155-R245 WeakPolarHBondContact O-CD 3.47Å; P155-R245 PolarHBondContact O-NH1 3.3Å; D157-R245 WeakPolarHBondContact OD1-CB 3.41Å; D157-R245 PolarHBondContact OD1-N 3.2Å; R245-T247 PolarHBondContact O-N 3.16Å; R245-T247 VanDerWaalsContact O-N 3.11Å; R245-T270 HydrophobicContact CB-CG2 4.34Å; R245-I272 HydrophobicContact CB-CD1 4.46Å; R245-I272 WeakPolarHBondContact O-CD1 3.48Å
246	G	80.6	Confident	87.4	Confident	9 Å²	9	31.4 Å²	31.4	9%	0.093	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	-12	175.4	0	0	0	0	0	115.2	I154 D176	I154-G246 PolarHBondContact O-N 3.21Å; D176-G246 WeakPolarHBondContact CB-O 3.47Å
247	T	86.6	Confident	87.6	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.012	13%	0.127	C	C	.	.			trans	-71.6	151.6	166.7	61.6	0	0	0	0	110.6	I154 E173 T174 I177 L244 R245	I154-T247 WeakPolarHBondContact CB-O 3.37Å; I154-T247 WeakPolarHBondContact CD1-OG1 3.42Å; I154-T247 PolarHBondContact N-O 3.12Å; E173-T247 WeakPolarHBondContact O-CA 3.26Å; E173-T247 WeakPolarHBondContact O-CB 3.33Å; T174-T247 HydrophobicContact CG2-CG2 3.89Å; I177-T247 HydrophobicContact CD1-CG2 3.32Å; I177-T247 HydrophobicContact CG1-CG2 4.02Å; L244-T247 HydrophobicContact CB-CG2 4.25Å; L244-T247 PolarHBondContact O-N 3.31Å; L244-T247 PolarHBondContact O-OG1 2.91Å; R245-T247 PolarHBondContact O-N 3.16Å; R245-T247 VanDerWaalsContact O-N 3.11Å
248	V	87.9	Confident	87.8	Confident	21 Å²	21	26.2 Å²	26.2	13%	0.127	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129.8	-179.9	-174.4	0	0	0	0	109.3	I153 V172 E173 R250	I153-V248 HydrophobicContact CG1-CG2 3.97Å; V172-V248 CarbonylContact C-O 3.53Å; V172-V248 WeakPolarHBondContact CA-O 3.19Å; E173-V248 HydrophobicContact CB-CB 4.21Å; E173-V248 PolarHBondContact N-O 3.37Å; E173-V248 PolarHBondContact O-N 2.91Å; E173-V248 VanDerWaalsContact O-N 3.11Å; V248-R250 HydrophobicContact CG1-CG 4.49Å; V248-R250 PolarHBondContact O-N 3.14Å
249	L	89.3	Confident	88.1	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	125.4	174.4	-170.7	70.9	0	0	0	109.7	I148 D151 Q152 C170 V172 T252 A255	I148-L249 HydrophobicContact CB-CD2 4.21Å; I148-L249 HydrophobicContact CG2-CB 3.9Å; I148-L249 HydrophobicContact CG2-CD2 3.91Å; I148-L249 HydrophobicContact CG2-CG 4.49Å; I148-L249 WeakPolarHBondContact O-CD2 3.35Å; D151-L249 VanDerWaalsContact CA-O 3.23Å; D151-L249 WeakPolarHBondContact CA-O 3.4Å; D151-L249 PolarHBondContact N-O 3.46Å; Q152-L249 PolarHBondContact O-N 3.29Å; Q152-L249 VanDerWaalsContact O-N 3.12Å; C170-L249 HydrophobicContact CB-CD1 4.01Å; V172-L249 HydrophobicContact CG1-CD1 4.29Å; L249-T252 WeakPolarHBondContact CD1-OG1 3.45Å; L249-T252 WeakPolarHBondContact CG-OG1 3.26Å; L249-A255 HydrophobicContact CD1-CB 4.09Å; L249-A255 HydrophobicContact CD2-CB 3.86Å
250	R	83.8	Confident	88.3	Confident	74 Å²	74	20.4 Å²	20.4	28%	0.279	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	157.9	-179	-62.7	-63.2	-166.4	175.9	0.1	110.3	D151 Y171 E173 L183 V248 T252	D151-R250 VanDerWaalsContact CG-NH1 3.32Å; D151-R250 WeakPolarHBondContact OD1-CD 3.28Å; D151-R250 IonicContact OD1-CZ 3.43Å; D151-R250 IonicContact OD1-NE 3.79Å; D151-R250 IonicContact OD1-NH1 2.61Å; D151-R250 PolarHBondContact OD1-NH1 2.92Å; Y171-R250 WeakPolarHBondContact CB-O 3.45Å; Y171-R250 PolarHBondContact O-N 3.03Å; Y171-R250 VanDerWaalsContact O-O 3.05Å; E173-R250 HydrophobicContact CB-CG 3.96Å; E173-R250 IonicContact OE2-CZ 3.53Å; E173-R250 VanDerWaalsContact OE2-CZ 3.24Å; E173-R250 IonicContact OE2-NE 3.74Å; E173-R250 PolarHBondContact OE2-NE 2.68Å; E173-R250 IonicContact OE2-NH2 3.53Å; E173-R250 PolarHBondContact OE2-NH2 3.5Å; L183-R250 HydrophobicContact CD2-CB 3.49Å; L183-R250 VanDerWaalsContact CD2-CB 3.49Å; L183-R250 HydrophobicContact CD2-CG 3.72Å; V248-R250 HydrophobicContact CG1-CG 4.49Å; V248-R250 PolarHBondContact O-N 3.14Å; R250-T252 PolarHBondContact O-N 2.88Å; R250-T252 PolarHBondContact O-OG1 2.84Å
251	N	77.4	Confident	88.6	Confident	27 Å²	27	16.1 Å²	16.1	14%	0.144	8%	0.079	C	C	.	.	S	Bend	trans	45.6	29	176.1	-60.8	-7.5	0	0	0	115.2	Y171 L183 Q506	Y171-N251 HydrophobicContact CD2-CB 4.02Å; L183-N251 VanDerWaalsContact CD1-ND2 3.33Å; L183-N251 WeakPolarHBondContact CD1-ND2 3.48Å; N251-Q506 VanDerWaalsContact ND2-CD 3.34Å; N251-Q506 PolarHBondContact ND2-OE1 3.21Å; N251-Q506 VanDerWaalsContact OD1-CD 3.28Å; N251-Q506 PolarHBondContact OD1-NE2 3.28Å; N251-Q506 PolarHBondContact OD1-OE1 3.15Å
252	T	84.5	Confident	88.4	Confident	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.			trans	-146.9	126.8	178.7	40.1	0	0	0	0	106	R150 E165 C170 Y171 L249 R250	R150-T252 WeakPolarHBondContact CA-O 3.31Å; R150-T252 VanDerWaalsContact CB-O 3.27Å; R150-T252 WeakPolarHBondContact CB-O 3.41Å; R150-T252 WeakPolarHBondContact CG-O 3.35Å; E165-T252 HydrophobicContact CG-CG2 3.49Å; E165-T252 VanDerWaalsContact CG-CG2 3.49Å; C170-T252 HydrophobicContact CB-CG2 3.84Å; Y171-T252 HydrophobicContact CD2-CG2 4.1Å; L249-T252 WeakPolarHBondContact CD1-OG1 3.45Å; L249-T252 WeakPolarHBondContact CG-OG1 3.26Å; R250-T252 PolarHBondContact O-N 2.88Å; R250-T252 PolarHBondContact O-OG1 2.84Å
253	D	86.4	Confident	87.2	Confident	93 Å²	93	14.9 Å²	14.9	50%	0.497	7%	0.073	S	C	.	.	S	Bend	trans	-70.5	-42	-171.7	-71.5	-25.2	0	0	0	110.9	R150 S164	R150-D253 PolarHBondContact N-O 2.7Å; R150-D253 IonicContact NH1-OD1 2.71Å; S164-D253 PolarHBondContact OG-N 2.96Å; S164-D253 VanDerWaalsContact OG-N 3.13Å
254	F	90	Very high	85.4	Confident	39 Å²	39	16 Å²	16	17%	0.171	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	150.2	172.4	58.2	-91.7	0	0	0	112.4	R147 I148 S164 H199 Y256	R147-F254 HydrophobicContact CG-CB 4.38Å; I148-F254 CarbonylContact O-C 3.6Å; I148-F254 VanDerWaalsContact O-CA 3.23Å; I148-F254 WeakPolarHBondContact O-CA 3.37Å; S164-F254 PolarHBondContact N-O 2.87Å; H199-F254 AromaticContact CE1-CZ 3.99Å; H199-F254 AromaticContact ND1-CZ 3.78Å; F254-Y256 HydrophobicContact CD2-CD2 4.15Å; F254-Y256 AromaticContact CD2-CE2 3.51Å; F254-Y256 HydrophobicContact CD2-CE2 3.51Å; F254-Y256 AromaticContact CD2-CZ 3.88Å; F254-Y256 HydrophobicContact CE2-CD2 4.32Å; F254-Y256 AromaticContact CE2-CE2 3.52Å; F254-Y256 HydrophobicContact CE2-CE2 3.52Å
255	A	92	Very high	83.2	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	137.1	169.7	0	0	0	0	0	110.5	I148 L160 L249	I148-A255 PolarHBondContact N-O 2.82Å; I148-A255 PolarHBondContact O-N 3.44Å; L160-A255 HydrophobicContact CD1-CB 4.08Å; L249-A255 HydrophobicContact CD1-CB 4.09Å; L249-A255 HydrophobicContact CD2-CB 3.86Å
256	Y	92.3	Very high	81	Confident	17 Å²	17	20.4 Å²	20.4	7%	0.067	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.1	175.2	-63.4	-68.8	0	0	0	110.1	F132 L146 R147 L161 S162 P200 L205 F254	F132-Y256 HydrophobicContact CE1-CD1 4.43Å; F132-Y256 HydrophobicContact CE1-CE1 4.32Å; F132-Y256 HydrophobicContact CE2-CD1 4.34Å; F132-Y256 AromaticContact CE2-CE1 3.6Å; F132-Y256 HydrophobicContact CE2-CE1 3.6Å; F132-Y256 AromaticContact CZ-CD1 3.68Å; F132-Y256 HydrophobicContact CZ-CD1 3.68Å; F132-Y256 AromaticContact CZ-CE1 3.39Å; F132-Y256 HydrophobicContact CZ-CE1 3.39Å; L146-Y256 WeakPolarHBondContact O-CA 3.23Å; R147-Y256 HydrophobicContact CB-CD1 4.05Å; R147-Y256 HydrophobicContact CB-CE1 3.84Å; R147-Y256 HydrophobicContact CG-CD1 4.23Å; R147-Y256 HydrophobicContact CG-CE1 3.73Å; L161-Y256 PolarHBondContact N-O 3.31Å; S162-Y256 PolarHBondContact O-N 3.13Å; P200-Y256 HydrophobicContact CG-CD2 3.93Å; P200-Y256 HydrophobicContact CG-CE2 3.73Å; L205-Y256 HydrophobicContact CD1-CD1 3.84Å; L205-Y256 HydrophobicContact CD1-CD2 4.35Å; L205-Y256 HydrophobicContact CD1-CE1 3.79Å; L205-Y256 HydrophobicContact CD1-CE2 4.3Å; L205-Y256 HydrophobicContact CD1-CG 4.12Å; F254-Y256 HydrophobicContact CD2-CD2 4.15Å; F254-Y256 AromaticContact CD2-CE2 3.51Å; F254-Y256 HydrophobicContact CD2-CE2 3.51Å; F254-Y256 AromaticContact CD2-CZ 3.88Å; F254-Y256 HydrophobicContact CE2-CD2 4.32Å; F254-Y256 AromaticContact CE2-CE2 3.52Å; F254-Y256 HydrophobicContact CE2-CE2 3.52Å
257	G	92.6	Very high	79.6	Confident	1 Å²	1	21.9 Å²	21.9	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	140.6	-177.2	0	0	0	0	0	113.3	L146 L159	L146-G257 PolarHBondContact N-O 3.1Å; L146-G257 PolarHBondContact O-N 2.84Å; L159-G257 CarbonylContact O-C 3.55Å; L159-G257 WeakPolarHBondContact O-CA 3Å
258	L	92.8	Very high	78.4	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	127.2	172	174.9	69.3	0	0	0	110.5	A16 G143 L145 L158 L159 L161 F208 V212 I260	A16-L258 HydrophobicContact CB-CD1 3.84Å; A16-L258 HydrophobicContact CB-CD2 4.09Å; G143-L258 WeakPolarHBondContact O-CD1 3.42Å; L145-L258 HydrophobicContact CG-CD1 4.47Å; L158-L258 CarbonylContact C-O 3.54Å; L158-L258 VanDerWaalsContact CA-O 3.26Å; L158-L258 WeakPolarHBondContact CA-O 3.38Å; L159-L258 HydrophobicContact CB-CB 4.28Å; L159-L258 PolarHBondContact N-O 2.87Å; L159-L258 PolarHBondContact O-N 3.11Å; L161-L258 HydrophobicContact CD1-CB 4.06Å; L161-L258 HydrophobicContact CG-CB 4.41Å; F208-L258 HydrophobicContact CE1-CD2 4.46Å; V212-L258 HydrophobicContact CG2-CD2 3.86Å; L258-I260 PolarHBondContact O-N 3.26Å
259	T	92.8	Very high	77.7	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	114.4	-178.2	-52.6	0	0	0	0	112.2	V140 C141 G143 D144 A156 L158 T262	V140-T259 HydrophobicContact CG1-CG2 4.16Å; C141-T259 WeakPolarHBondContact O-CB 3.42Å; G143-T259 PolarHBondContact N-O 3.04Å; D144-T259 WeakPolarHBondContact O-CB 3.31Å; D144-T259 PolarHBondContact O-N 2.89Å; D144-T259 PolarHBondContact O-OG1 2.92Å; A156-T259 HydrophobicContact CB-CG2 3.81Å; L158-T259 HydrophobicContact CD2-CG2 4.27Å; T259-T262 HydrophobicContact CG2-CG2 3.65Å
260	I	90.8	Very high	77.4	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-55	177.9	-58.8	167.7	0	0	0	111.2	V14 D157 L159 F224 V242 L258	V14-I260 HydrophobicContact CG2-CG2 4.3Å; D157-I260 PolarHBondContact O-N 3.48Å; L159-I260 HydrophobicContact CB-CD1 3.66Å; L159-I260 HydrophobicContact CB-CG1 4.07Å; F224-I260 HydrophobicContact CE2-CD1 4.37Å; F224-I260 HydrophobicContact CZ-CD1 3.83Å; V242-I260 HydrophobicContact CG2-CD1 4.4Å; L258-I260 PolarHBondContact O-N 3.26Å
261	Y	89.9	Confident	77.3	Confident	2 Å²	2	17.8 Å²	17.8	1%	0.008	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133.1	-177.7	-52.2	-53.9	0	0	0	111.6	W12 A156 D157 E215 P217 F224 D269 T270	W12-Y261 AromaticContact CD1-CE1 3.7Å; W12-Y261 HydrophobicContact CD2-CE1 4.36Å; W12-Y261 HydrophobicContact CG-CE1 4.14Å; W12-Y261 HydrophobicContact CZ2-CD1 4.38Å; W12-Y261 AromaticContact NE1-CD1 3.7Å; W12-Y261 AromaticContact NE1-CE1 3.6Å; A156-Y261 WeakPolarHBondContact CB-O 3.48Å; D157-Y261 HydrophobicContact CB-CD2 3.95Å; D157-Y261 HydrophobicContact CB-CG 4.47Å; D157-Y261 PolarHBondContact N-O 3.33Å; D157-Y261 VanDerWaalsContact N-O 3.09Å; D157-Y261 PolarHBondContact O-N 3.46Å; E215-Y261 PolarHBondContact O-OH 3.44Å; P217-Y261 HydrophobicContact CB-CE1 4.44Å; P217-Y261 HydrophobicContact CG-CD1 3.75Å; P217-Y261 HydrophobicContact CG-CE1 3.66Å; F224-Y261 HydrophobicContact CE2-CE2 4.08Å; Y261-D269 WeakPolarHBondContact CB-O 3.34Å; Y261-D269 HydrophobicContact CD1-CB 4.4Å; Y261-T270 WeakPolarHBondContact O-CG2 3.32Å
262	T	85.3	Confident	77.3	Confident	0 Å²	0	17 Å²	17	0%	0	11%	0.105	C	C	.	.			trans	-113	153.9	178.1	48.4	0	0	0	0	111.5	S39 N41 V142 T259 D269	S39-T262 PolarHBondContact O-OG1 3.4Å; N41-T262 HydrophobicContact CB-CG2 4.34Å; V142-T262 HydrophobicContact CG2-CG2 3.75Å; V142-T262 WeakPolarHBondContact CG2-OG1 3.26Å; T259-T262 HydrophobicContact CG2-CG2 3.65Å; T262-D269 WeakPolarHBondContact O-CB 3.42Å; T262-D269 PolarHBondContact O-N 2.92Å
263	G	66.8	Low	76.8	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.117	C	C	.	.			trans	-108.6	108.6	-168.4	0	0	0	0	0	115.5	D40 N41 V42	D40-G263 CarbonylContact O-C 3.1Å; N41-G263 CarbonylContact C-O 3.42Å; N41-G263 WeakPolarHBondContact CA-O 3.4Å; N41-G263 PolarHBondContact OD1-N 3.44Å; V42-G263 CarbonylContact C-O 3.57Å; V42-G263 PolarHBondContact N-O 2.86Å
264	R	55.7	Low	76.3	Confident	26 Å²	26	20.8 Å²	20.8	10%	0.098	12%	0.115	C	C	.	.			trans	-98.3	125	160.8	-178.4	-179.8	179	161.9	1.7	110	S29 D40 T266 G267 A268	S29-R264 PolarHBondContact OG-NH2 2.95Å; D40-R264 PolarHBondContact O-N 3.18Å; D40-R264 VanDerWaalsContact O-N 3.07Å; D40-R264 WeakPolarHBondContact OD1-CB 3.49Å; D40-R264 WeakPolarHBondContact OD1-CD 3.47Å; D40-R264 WeakPolarHBondContact OD1-CG 3.47Å; R264-T266 PolarHBondContact NE-OG1 3.33Å; R264-T266 CarbonylContact O-C 3.45Å; R264-T266 PolarHBondContact O-N 2.69Å; R264-G267 CarbonylContact O-C 3.52Å; R264-A268 WeakPolarHBondContact O-CA 3.39Å; R264-A268 WeakPolarHBondContact O-CB 3.48Å; R264-A268 PolarHBondContact O-N 3.11Å
265	A	43	Very low	75.4	Confident	39 Å²	39	20.5 Å²	20.5	32%	0.322	12%	0.116	S	C	.	.	S	Bend	trans	-56.9	-24.7	-175.8	0	0	0	0	0	115.7	V43 R44	V43-A265 HydrophobicContact CG1-CB 4.41Å; R44-A265 VanDerWaalsContact C-CB 3.49Å; R44-A265 HydrophobicContact CB-CB 4.43Å; R44-A265 WeakPolarHBondContact O-CB 3.36Å
266	T	41.1	Very low	74.1	Confident	78 Å²	78	21.4 Å²	21.4	48%	0.479	12%	0.122	S	C	.	.	S	Bend	trans	-108.2	91.2	169	56.9	0	0	0	0	110	R264	R264-T266 PolarHBondContact NE-OG1 3.33Å; R264-T266 CarbonylContact O-C 3.45Å; R264-T266 PolarHBondContact O-N 2.69Å
267	G	51.3	Low	72.9	Confident	40 Å²	40	22.7 Å²	22.7	41%	0.412	14%	0.14	S	C	.	.	S	Bend	trans	95	45.6	-177.3	0	0	0	0	0	113.7	R27 S39 R264	R27-G267 PolarHBondContact NH1-O 3.2Å; R27-G267 VanDerWaalsContact NH1-O 3.12Å; S39-G267 PolarHBondContact OG-O 3.35Å; R264-G267 CarbonylContact O-C 3.52Å
268	A	60.7	Low	71.6	Confident	7 Å²	7	31 Å²	31	6%	0.058	18%	0.176	C	C	.	.			trans	-67.7	138.4	-178.7	0	0	0	0	0	111.4	R264 L273	R264-A268 WeakPolarHBondContact O-CA 3.39Å; R264-A268 WeakPolarHBondContact O-CB 3.48Å; R264-A268 PolarHBondContact O-N 3.11Å; A268-L273 HydrophobicContact CB-CB 3.37Å; A268-L273 HydrophobicContact CB-CD1 3.8Å; A268-L273 HydrophobicContact CB-CG 4.23Å
269	D	73.2	Confident	70.2	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.011	20%	0.2	C	C	.	.			trans	-86.7	-21.2	175.7	-58.2	-35.6	0	0	0	110.9	R27 S39 P217 Y261 T262	R27-D269 IonicContact NH1-OD1 3.7Å; S39-D269 WeakPolarHBondContact CB-OD2 3.16Å; S39-D269 PolarHBondContact N-OD2 3.43Å; S39-D269 PolarHBondContact OG-OD2 2.76Å; P217-D269 HydrophobicContact CB-CB 4.02Å; P217-D269 WeakPolarHBondContact CB-O 3.48Å; P217-D269 HydrophobicContact CG-CB 3.67Å; Y261-D269 WeakPolarHBondContact CB-O 3.34Å; Y261-D269 HydrophobicContact CD1-CB 4.4Å; T262-D269 WeakPolarHBondContact O-CB 3.42Å; T262-D269 PolarHBondContact O-N 2.92Å
270	T	82.8	Confident	68.9	Low	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-66.2	138.7	174.5	59.6	0	0	0	0	112	D157 R245 Y261 I272 L273 R274	D157-T270 VanDerWaalsContact OD2-CA 3.26Å; D157-T270 WeakPolarHBondContact OD2-CA 3.31Å; R245-T270 HydrophobicContact CB-CG2 4.34Å; Y261-T270 WeakPolarHBondContact O-CG2 3.32Å; T270-I272 VanDerWaalsContact C-N 3.32Å; T270-I272 PolarHBondContact O-N 3.32Å; T270-L273 PolarHBondContact O-N 3.07Å; T270-L273 WeakPolarHBondContact OG1-CB 3.4Å; T270-L273 WeakPolarHBondContact OG1-CD1 3.48Å; T270-L273 WeakPolarHBondContact OG1-CG 3.27Å; T270-R274 PolarHBondContact O-N 3.38Å
271	K	82.1	Confident	67.9	Low	2 Å²	2	50.4 Å²	50.4	1%	0.009	27%	0.274	C	S	.	.	H	α-helix	trans	-60.3	-37.4	-173.8	-64.9	-169.9	165.5	-166.8	0	113.6	D157 E215 N218 R220 L221 T223 L244 N275	D157-K271 PolarHBondContact OD2-N 3.32Å; E215-K271 IonicContact OE1-NZ 2.9Å; E215-K271 PolarHBondContact OE1-NZ 2.86Å; N218-K271 WeakPolarHBondContact OD1-CE 3.35Å; R220-K271 WeakPolarHBondContact O-CD 3.49Å; R220-K271 PolarHBondContact O-NZ 3.03Å; L221-K271 HydrophobicContact CD2-CB 4.11Å; T223-K271 PolarHBondContact O-NZ 2.85Å; L244-K271 HydrophobicContact CD2-CD 4.23Å; K271-N275 PolarHBondContact O-N 2.83Å; K271-N275 PolarHBondContact O-ND2 2.9Å
272	I	77.4	Confident	67.5	Low	12 Å²	12	52 Å²	52	6%	0.062	28%	0.281	C	S	.	.	H	α-helix	trans	-70.1	-51	-177.3	-68.1	158.5	0	0	0	112	I177 L221 L244 R245 T270 R274 N275 C276	I177-I272 HydrophobicContact CD1-CD1 3.64Å; I177-I272 HydrophobicContact CD1-CG1 4.3Å; I177-I272 HydrophobicContact CG1-CD1 3.66Å; I177-I272 HydrophobicContact CG1-CG1 4.22Å; L221-I272 HydrophobicContact CD2-CG1 3.82Å; L244-I272 HydrophobicContact CB-CD1 4.24Å; R245-I272 HydrophobicContact CB-CD1 4.46Å; R245-I272 WeakPolarHBondContact O-CD1 3.48Å; T270-I272 VanDerWaalsContact C-N 3.32Å; T270-I272 PolarHBondContact O-N 3.32Å; I272-R274 PolarHBondContact O-N 2.8Å; I272-N275 WeakPolarHBondContact O-CA 3.41Å; I272-N275 WeakPolarHBondContact O-CB 3.31Å; I272-N275 PolarHBondContact O-N 2.9Å; I272-C276 PolarHBondContact O-N 3.03Å; I272-C276 PolarHBondContact O-SG 3.32Å
273	L	74.6	Confident	67.2	Low	49 Å²	49	61.3 Å²	61.3	26%	0.257	32%	0.316	S	S	.	.	H	α-helix	trans	-62.2	-30.6	179.5	-67.4	177.5	0	0	0	111.8	A268 T270	A268-L273 HydrophobicContact CB-CB 3.37Å; A268-L273 HydrophobicContact CB-CD1 3.8Å; A268-L273 HydrophobicContact CB-CG 4.23Å; T270-L273 PolarHBondContact O-N 3.07Å; T270-L273 WeakPolarHBondContact OG1-CB 3.4Å; T270-L273 WeakPolarHBondContact OG1-CD1 3.48Å; T270-L273 WeakPolarHBondContact OG1-CG 3.27Å
274	R	75.4	Confident	68.1	Low	122 Å²	122	61.3 Å²	61.3	46%	0.46	32%	0.316	S	S	.	.	H	α-helix	trans	-71.1	-35.8	174.4	-161.8	165.6	179.4	148.3	-13.1	112.3	P217 N219 T270 I272	P217-R274 PolarHBondContact O-NE 2.85Å; P217-R274 PolarHBondContact O-NH1 3.45Å; P217-R274 PolarHBondContact O-NH2 3.31Å; P217-R274 VanDerWaalsContact O-NH2 3.15Å; N219-R274 HydrophobicContact CB-CG 4.46Å; T270-R274 PolarHBondContact O-N 3.38Å; I272-R274 PolarHBondContact O-N 2.8Å
275	N	70.9	Confident	69.3	Low	34 Å²	34	62 Å²	62	18%	0.182	32%	0.321	C	S	.	.	H	α-helix	trans	-68.3	-35.9	172.7	-95	-39.1	0	0	0	114.1	N219 L221 K271 I272 G277 N846	N219-N275 VanDerWaalsContact CB-OD1 3.31Å; N219-N275 WeakPolarHBondContact CB-OD1 3.35Å; N219-N275 VanDerWaalsContact O-CG 3.23Å; N219-N275 PolarHBondContact O-ND2 3.18Å; N219-N275 PolarHBondContact O-OD1 3.17Å; L221-N275 VanDerWaalsContact CG-ND2 3.26Å; L221-N275 WeakPolarHBondContact CG-ND2 3.25Å; K271-N275 PolarHBondContact O-N 2.83Å; K271-N275 PolarHBondContact O-ND2 2.9Å; I272-N275 WeakPolarHBondContact O-CA 3.41Å; I272-N275 WeakPolarHBondContact O-CB 3.31Å; I272-N275 PolarHBondContact O-N 2.9Å; N275-G277 PolarHBondContact O-N 3.23Å; N275-N846 PolarHBondContact O-ND2 3.32Å; N275-N846 PolarHBondContact O-OD1 3.41Å
276	C	65.4	Low	71	Confident	19 Å²	19	60.4 Å²	60.4	13%	0.128	31%	0.307	C	S	.	.	H	α-helix	trans	-64.2	-31.3	178.9	-63.8	0	0	0	0	112	I272 K849	I272-C276 PolarHBondContact O-N 3.03Å; I272-C276 PolarHBondContact O-SG 3.32Å; C276-K849 PolarHBondContact O-NZ 3.15Å
277	G	65.6	Low	72.8	Confident	44 Å²	44	58.2 Å²	58.2	45%	0.454	29%	0.291	S	S	.	.			trans	63.7	175	-179.2	0	0	0	0	0	114.8	N275 K849	N275-G277 PolarHBondContact O-N 3.23Å; G277-K849 PolarHBondContact O-NZ 3.02Å
278	K	65.6	Low	74.3	Confident	176 Å²	176	61.2 Å²	61.2	77%	0.765	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-78.5	136.5	179	-67.2	-177.5	-178.3	177.6	0	111.4	R280	K278-R280 PolarHBondContact O-N 2.72Å
279	L	63.8	Low	75.3	Confident	95 Å²	95	63 Å²	63	50%	0.497	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-65.2	116.3	171.5	-76.9	159.6	0	0	0	109.9	K849	L279-K849 HydrophobicContact CD2-CD 4.46Å; L279-K849 HydrophobicContact CD2-CG 4.49Å
280	R	66.3	Low	75.5	Confident	227 Å²	227	63.8 Å²	63.8	86%	0.857	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-90.4	134.3	173.4	-172.4	176.3	179.5	172.5	0.9	109.4	K278 K282	K278-R280 PolarHBondContact O-N 2.72Å; R280-K282 PolarHBondContact O-N 3Å
281	A	69.1	Low	75.4	Confident	84 Å²	84	67 Å²	67	69%	0.694	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-65.8	123	172.4	0	0	0	0	0	109.9
282	K	81.7	Confident	75.4	Confident	37 Å²	37	73.8 Å²	73.8	16%	0.161	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-83.1	139.5	175.1	-56.1	-170	-173.9	-179.8	0	109	R280 L395 I848 K849 A851 H852 D870	R280-K282 PolarHBondContact O-N 3Å; K282-L395 HydrophobicContact CB-CD1 4.26Å; K282-L395 HydrophobicContact CB-CD2 4.2Å; K282-L395 HydrophobicContact CD-CD1 4.14Å; K282-I848 PolarHBondContact NZ-O 3.22Å; K282-K849 WeakPolarHBondContact CE-O 3.2Å; K282-A851 VanDerWaalsContact CE-O 3.3Å; K282-A851 WeakPolarHBondContact CE-O 3.15Å; K282-A851 PolarHBondContact NZ-O 3.15Å; K282-H852 WeakPolarHBondContact CD-O 3.3Å; K282-D870 WeakPolarHBondContact CD-OD2 3.44Å; K282-D870 VanDerWaalsContact CE-OD2 3.31Å; K282-D870 WeakPolarHBondContact CE-OD2 3.42Å; K282-D870 IonicContact NZ-OD2 3.48Å; K282-D870 PolarHBondContact NZ-OD2 2.9Å
283	R	78.6	Confident	75.6	Confident	194 Å²	194	74.5 Å²	74.5	73%	0.732	36%	0.359	S	S	*	.			trans	-110.9	144.9	175.9	-68.6	-176	179.8	177	-1.5	109
284	T	84.9	Confident	75.9	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	35%	0.351	C	S	.	.			trans	-85.6	151.7	179.6	72.8	0	0	0	0	111	L286 E287 E288 S394 L395 E397 E398	T284-L286 PolarHBondContact O-N 2.65Å; T284-E287 PolarHBondContact N-OE2 2.67Å; T284-E287 WeakPolarHBondContact O-CB 3.26Å; T284-E287 PolarHBondContact O-N 2.93Å; T284-E287 WeakPolarHBondContact OG1-CG 3.2Å; T284-E287 PolarHBondContact OG1-N 3.38Å; T284-E288 PolarHBondContact O-N 3.07Å; T284-S394 WeakPolarHBondContact CG2-O 3.36Å; T284-L395 HydrophobicContact CG2-CD2 3.59Å; T284-E397 WeakPolarHBondContact CB-OE1 3.37Å; T284-E397 VanDerWaalsContact CG2-OE1 3.23Å; T284-E397 WeakPolarHBondContact CG2-OE1 3.43Å; T284-E397 PolarHBondContact OG1-OE1 3.05Å; T284-E398 WeakPolarHBondContact CA-OE1 3.38Å; T284-E398 VanDerWaalsContact CB-OE1 3.29Å; T284-E398 WeakPolarHBondContact CB-OE1 3.31Å; T284-E398 HydrophobicContact CG2-CG 3.73Å
285	Q	81	Confident	76.3	Confident	41 Å²	41	71.9 Å²	71.9	19%	0.192	35%	0.354	C	S	.	.	H	α-helix	trans	-66	-29.6	175.2	-64.4	-166.8	-7.3	0	0	111.3	E288 V289 E398 I834 K972	Q285-E288 PolarHBondContact O-N 3.1Å; Q285-V289 WeakPolarHBondContact O-CG2 3.47Å; Q285-V289 PolarHBondContact O-N 3.17Å; Q285-E398 PolarHBondContact N-OE1 2.91Å; Q285-I834 HydrophobicContact CG-CD1 3.85Å; Q285-K972 VanDerWaalsContact OE1-CE 3.24Å
286	L	79.1	Confident	77	Confident	6 Å²	6	72.1 Å²	72.1	3%	0.031	36%	0.364	C	S	.	.	H	α-helix	trans	-66.4	-41.1	174.8	-170	67.8	0	0	0	111.2	T284 E288 V289 F290 F362 E397 I894 L898	T284-L286 PolarHBondContact O-N 2.65Å; L286-E288 VanDerWaalsContact C-N 3.29Å; L286-E288 PolarHBondContact O-N 3.13Å; L286-V289 PolarHBondContact O-N 2.89Å; L286-F290 WeakPolarHBondContact O-CB 3.33Å; L286-F290 PolarHBondContact O-N 3.36Å; L286-F362 HydrophobicContact CD2-CE2 4.13Å; L286-E397 HydrophobicContact CB-CG 4.49Å; L286-E397 HydrophobicContact CD2-CG 4.38Å; L286-I894 HydrophobicContact CD2-CG2 3.31Å; L286-L898 HydrophobicContact CD1-CD2 3.97Å; L286-L898 HydrophobicContact CG-CD2 4.5Å
287	E	79.6	Confident	77.9	Confident	31 Å²	31	71.8 Å²	71.8	15%	0.145	36%	0.361	C	S	.	.	H	α-helix	trans	-57.9	-40.7	171.5	-77.5	178.4	165.3	0	0	111.8	T284 F290 N291 F362	T284-E287 PolarHBondContact N-OE2 2.67Å; T284-E287 WeakPolarHBondContact O-CB 3.26Å; T284-E287 PolarHBondContact O-N 2.93Å; T284-E287 WeakPolarHBondContact OG1-CG 3.2Å; T284-E287 PolarHBondContact OG1-N 3.38Å; E287-F290 PolarHBondContact O-N 3.06Å; E287-N291 WeakPolarHBondContact O-CB 3.41Å; E287-N291 PolarHBondContact O-N 3.39Å; E287-N291 PolarHBondContact O-ND2 3.34Å; E287-N291 VanDerWaalsContact O-ND2 3.14Å; E287-F362 HydrophobicContact CG-CE1 4.06Å; E287-F362 HydrophobicContact CG-CZ 4.36Å
288	E	81.8	Confident	78.9	Confident	103 Å²	103	71.3 Å²	71.3	48%	0.481	35%	0.349	S	S	.	.	H	α-helix	trans	-65.2	-44.8	176.8	-68.4	-174	176.3	0	0	112.9	T284 Q285 L286 F290 N291 K292	T284-E288 PolarHBondContact O-N 3.07Å; Q285-E288 PolarHBondContact O-N 3.1Å; L286-E288 VanDerWaalsContact C-N 3.29Å; L286-E288 PolarHBondContact O-N 3.13Å; E288-F290 VanDerWaalsContact C-N 3.3Å; E288-N291 PolarHBondContact O-N 3.31Å; E288-K292 WeakPolarHBondContact O-CG 3.49Å; E288-K292 PolarHBondContact O-N 3.39Å
289	V	81.6	Confident	80.1	Confident	45 Å²	45	68.1 Å²	68.1	27%	0.273	34%	0.34	S	S	.	.	H	α-helix	trans	-62.9	-42.9	175.3	172.1	0	0	0	0	110.1	Q285 L286 K292 V293 L980	Q285-V289 WeakPolarHBondContact O-CG2 3.47Å; Q285-V289 PolarHBondContact O-N 3.17Å; L286-V289 PolarHBondContact O-N 2.89Å; V289-K292 WeakPolarHBondContact O-CB 3.01Å; V289-K292 PolarHBondContact O-N 3.32Å; V289-V293 WeakPolarHBondContact O-CG2 3.48Å; V289-V293 PolarHBondContact O-N 3.24Å; V289-L980 HydrophobicContact CG1-CD1 4.08Å
290	F	77.8	Confident	81.2	Confident	18 Å²	18	66.6 Å²	66.6	8%	0.079	34%	0.337	C	S	.	.	H	α-helix	trans	-62.2	-46.5	179.1	174.9	-125.7	0	0	0	111.9	L286 E287 E288 K292 V293 V294 P355 L358 Y359 L898	L286-F290 WeakPolarHBondContact O-CB 3.33Å; L286-F290 PolarHBondContact O-N 3.36Å; E287-F290 PolarHBondContact O-N 3.06Å; E288-F290 VanDerWaalsContact C-N 3.3Å; F290-K292 PolarHBondContact O-N 3.47Å; F290-V293 PolarHBondContact O-N 3.43Å; F290-V294 HydrophobicContact CD1-CG2 4.5Å; F290-V294 HydrophobicContact CD2-CG2 3.89Å; F290-V294 HydrophobicContact CE1-CG2 4.08Å; F290-V294 HydrophobicContact CE2-CG2 3.32Å; F290-V294 HydrophobicContact CG-CG2 4.42Å; F290-V294 HydrophobicContact CZ-CG2 3.42Å; F290-V294 VanDerWaalsContact CZ-CG2 3.42Å; F290-V294 WeakPolarHBondContact O-CG2 3.25Å; F290-V294 PolarHBondContact O-N 3.2Å; F290-P355 HydrophobicContact CE2-CG 4.33Å; F290-P355 HydrophobicContact CZ-CG 4.11Å; F290-L358 HydrophobicContact CD2-CD2 4.14Å; F290-L358 HydrophobicContact CE1-CD2 4.23Å; F290-L358 HydrophobicContact CE1-CG 4.39Å; F290-L358 HydrophobicContact CE2-CD2 3.16Å; F290-L358 HydrophobicContact CE2-CG 4.14Å; F290-L358 HydrophobicContact CZ-CD2 3.22Å; F290-L358 HydrophobicContact CZ-CG 3.75Å; F290-Y359 HydrophobicContact CD1-CE1 4.1Å; F290-Y359 HydrophobicContact CE1-CD1 4.02Å; F290-Y359 HydrophobicContact CE1-CD2 4.35Å; F290-Y359 AromaticContact CE1-CE1 3.41Å; F290-Y359 HydrophobicContact CE1-CE1 3.41Å; F290-Y359 VanDerWaalsContact CE1-CE1 3.41Å; F290-Y359 AromaticContact CE1-CE2 3.77Å; F290-Y359 HydrophobicContact CE1-CE2 3.77Å; F290-Y359 HydrophobicContact CE1-CG 4.46Å; F290-Y359 AromaticContact CE1-CZ 3.26Å; F290-Y359 WeakPolarHBondContact CE1-OH 3.48Å; F290-Y359 HydrophobicContact CZ-CE1 4.38Å; F290-Y359 AromaticContact CZ-CE2 3.93Å; F290-Y359 HydrophobicContact CZ-CE2 3.93Å; F290-Y359 AromaticContact CZ-CZ 3.86Å; F290-L898 HydrophobicContact CD2-CD1 3.86Å; F290-L898 HydrophobicContact CE2-CD1 4.22Å
291	N	80.6	Confident	82.4	Confident	67 Å²	67	56.2 Å²	56.2	36%	0.358	30%	0.299	S	S	.	.	H	α-helix	trans	-57.3	-38.7	175.5	-72.6	-30.7	0	0	0	111.9	E287 E288 V294 I295 Y359	E287-N291 WeakPolarHBondContact O-CB 3.41Å; E287-N291 PolarHBondContact O-N 3.39Å; E287-N291 PolarHBondContact O-ND2 3.34Å; E287-N291 VanDerWaalsContact O-ND2 3.14Å; E288-N291 PolarHBondContact O-N 3.31Å; N291-V294 PolarHBondContact O-N 3.44Å; N291-I295 WeakPolarHBondContact O-CD1 3.22Å; N291-I295 VanDerWaalsContact O-CG1 3.24Å; N291-I295 WeakPolarHBondContact O-CG1 3.47Å; N291-I295 PolarHBondContact O-N 3.38Å; N291-Y359 PolarHBondContact OD1-OH 3.23Å
292	K	83.1	Confident	83.4	Confident	146 Å²	146	55.3 Å²	55.3	64%	0.635	28%	0.282	S	S	*	.	H	α-helix	trans	-65	-40.8	174.4	-69	171.6	-175.9	170.3	0	112.4	E288 V289 F290 G296	E288-K292 WeakPolarHBondContact O-CG 3.49Å; E288-K292 PolarHBondContact O-N 3.39Å; V289-K292 WeakPolarHBondContact O-CB 3.01Å; V289-K292 PolarHBondContact O-N 3.32Å; F290-K292 PolarHBondContact O-N 3.47Å; K292-G296 PolarHBondContact O-N 3.36Å
293	V	81.9	Confident	84	Confident	26 Å²	26	58.6 Å²	58.6	16%	0.158	30%	0.301	C	S	.	.	H	α-helix	trans	-65.6	-44.8	176.3	173	0	0	0	0	110.9	V289 F290 I295 G296 I297 L902 L980	V289-V293 WeakPolarHBondContact O-CG2 3.48Å; V289-V293 PolarHBondContact O-N 3.24Å; F290-V293 PolarHBondContact O-N 3.43Å; V293-I295 PolarHBondContact O-N 3.09Å; V293-G296 CarbonylContact O-C 3.57Å; V293-G296 WeakPolarHBondContact O-CA 3.27Å; V293-G296 PolarHBondContact O-N 3.19Å; V293-G296 VanDerWaalsContact O-N 3.08Å; V293-I297 HydrophobicContact CG1-CD1 3.98Å; V293-I297 HydrophobicContact CG1-CG1 4.39Å; V293-I297 WeakPolarHBondContact O-CG1 3.33Å; V293-I297 PolarHBondContact O-N 2.91Å; V293-L902 HydrophobicContact CG1-CD1 4.11Å; V293-L902 HydrophobicContact CG1-CD2 4.29Å; V293-L980 HydrophobicContact CG2-CD1 4.1Å
294	V	79.9	Confident	84.6	Confident	16 Å²	16	50.3 Å²	50.3	10%	0.097	27%	0.274	C	S	.	.	H	α-helix	trans	-58.2	-47.7	176.7	172.1	0	0	0	0	110.9	F290 N291 G296 I297 V298 M354	F290-V294 HydrophobicContact CD1-CG2 4.5Å; F290-V294 HydrophobicContact CD2-CG2 3.89Å; F290-V294 HydrophobicContact CE1-CG2 4.08Å; F290-V294 HydrophobicContact CE2-CG2 3.32Å; F290-V294 HydrophobicContact CG-CG2 4.42Å; F290-V294 HydrophobicContact CZ-CG2 3.42Å; F290-V294 VanDerWaalsContact CZ-CG2 3.42Å; F290-V294 WeakPolarHBondContact O-CG2 3.25Å; F290-V294 PolarHBondContact O-N 3.2Å; N291-V294 PolarHBondContact O-N 3.44Å; V294-G296 VanDerWaalsContact C-N 3.27Å; V294-G296 PolarHBondContact O-N 3.44Å; V294-I297 PolarHBondContact O-N 2.7Å; V294-I297 VanDerWaalsContact O-N 3.13Å; V294-V298 HydrophobicContact CG1-CG2 4.47Å; V294-V298 WeakPolarHBondContact O-CG2 3.37Å; V294-V298 PolarHBondContact O-N 3.46Å; V294-M354 HydrophobicContact CG1-SD 3.91Å
295	I	83.8	Confident	85	Confident	101 Å²	101	50.3 Å²	50.3	52%	0.518	27%	0.274	S	S	.	.	H	α-helix	trans	-57.1	-43.7	174.8	-68.7	164.7	0	0	0	110.7	N291 V293 I297 V298 L299	N291-I295 WeakPolarHBondContact O-CD1 3.22Å; N291-I295 VanDerWaalsContact O-CG1 3.24Å; N291-I295 WeakPolarHBondContact O-CG1 3.47Å; N291-I295 PolarHBondContact O-N 3.38Å; V293-I295 PolarHBondContact O-N 3.09Å; I295-I297 PolarHBondContact O-N 3.19Å; I295-V298 PolarHBondContact O-N 3.33Å; I295-L299 HydrophobicContact CG2-CD1 4.04Å; I295-L299 HydrophobicContact CG2-CG 4.47Å; I295-L299 WeakPolarHBondContact O-CG 3.25Å; I295-L299 PolarHBondContact O-N 3.1Å
296	G	86.4	Confident	85.6	Confident	38 Å²	38	52.2 Å²	52.2	39%	0.392	29%	0.285	S	S	.	.	H	α-helix	trans	-58.8	-43.2	175.4	0	0	0	0	0	113.3	K292 V293 V294 L299 S300	K292-G296 PolarHBondContact O-N 3.36Å; V293-G296 CarbonylContact O-C 3.57Å; V293-G296 WeakPolarHBondContact O-CA 3.27Å; V293-G296 PolarHBondContact O-N 3.19Å; V293-G296 VanDerWaalsContact O-N 3.08Å; V294-G296 VanDerWaalsContact C-N 3.27Å; V294-G296 PolarHBondContact O-N 3.44Å; G296-L299 PolarHBondContact O-N 3.36Å; G296-S300 PolarHBondContact O-N 3.37Å
297	I	85.1	Confident	86.3	Confident	12 Å²	12	57.2 Å²	57.2	6%	0.062	31%	0.311	C	S	.	.	H	α-helix	trans	-69.1	-42.2	177.9	-56.7	164.1	0	0	0	110.4	V293 V294 I295 L299 S300 V301 A353 M354 L902	V293-I297 HydrophobicContact CG1-CD1 3.98Å; V293-I297 HydrophobicContact CG1-CG1 4.39Å; V293-I297 WeakPolarHBondContact O-CG1 3.33Å; V293-I297 PolarHBondContact O-N 2.91Å; V294-I297 PolarHBondContact O-N 2.7Å; V294-I297 VanDerWaalsContact O-N 3.13Å; I295-I297 PolarHBondContact O-N 3.19Å; I297-L299 VanDerWaalsContact C-N 3.33Å; I297-L299 PolarHBondContact O-N 2.92Å; I297-S300 WeakPolarHBondContact CA-OG 3.34Å; I297-S300 PolarHBondContact O-N 3.02Å; I297-S300 VanDerWaalsContact O-N 3.1Å; I297-S300 PolarHBondContact O-OG 3.33Å; I297-V301 HydrophobicContact CG2-CG2 4.27Å; I297-V301 WeakPolarHBondContact O-CG2 3.43Å; I297-V301 PolarHBondContact O-N 3.22Å; I297-A353 HydrophobicContact CG2-CB 4.48Å; I297-M354 HydrophobicContact CB-CE 3.3Å; I297-M354 HydrophobicContact CD1-CE 4.35Å; I297-M354 HydrophobicContact CG1-CE 4.42Å; I297-M354 HydrophobicContact CG2-CE 3.05Å; I297-L902 HydrophobicContact CD1-CD2 3.85Å
298	V	86	Confident	86.9	Confident	34 Å²	34	56.2 Å²	56.2	21%	0.206	31%	0.307	C	S	.	.	H	α-helix	trans	-56.5	-48.2	175.1	172.8	0	0	0	0	110.7	Y69 V294 I295 S300 V301 L302 M354	Y69-V298 HydrophobicContact CE2-CG2 4.39Å; V294-V298 HydrophobicContact CG1-CG2 4.47Å; V294-V298 WeakPolarHBondContact O-CG2 3.37Å; V294-V298 PolarHBondContact O-N 3.46Å; I295-V298 PolarHBondContact O-N 3.33Å; V298-S300 VanDerWaalsContact C-N 3.3Å; V298-S300 PolarHBondContact O-N 3.35Å; V298-V301 PolarHBondContact O-N 2.87Å; V298-L302 HydrophobicContact CG1-CD1 4.05Å; V298-L302 HydrophobicContact CG1-CG 4.4Å; V298-L302 WeakPolarHBondContact O-CG 3.07Å; V298-L302 PolarHBondContact O-N 3.5Å; V298-M354 HydrophobicContact CG2-CE 4.14Å; V298-M354 HydrophobicContact CG2-CG 4.27Å; V298-M354 HydrophobicContact CG2-SD 3.37Å; V298-M354 WeakPolarHBondContact CG2-SD 3.34Å
299	L	90	Very high	87.4	Confident	109 Å²	109	51.6 Å²	51.6	57%	0.571	29%	0.286	S	S	*	.	H	α-helix	trans	-60.3	-40.1	176.8	-70.5	171.6	0	0	0	111.8	I295 G296 I297 L303	I295-L299 HydrophobicContact CG2-CD1 4.04Å; I295-L299 HydrophobicContact CG2-CG 4.47Å; I295-L299 WeakPolarHBondContact O-CG 3.25Å; I295-L299 PolarHBondContact O-N 3.1Å; G296-L299 PolarHBondContact O-N 3.36Å; I297-L299 VanDerWaalsContact C-N 3.33Å; I297-L299 PolarHBondContact O-N 2.92Å; L299-L303 WeakPolarHBondContact O-CB 3.44Å; L299-L303 PolarHBondContact O-N 3.12Å
300	S	88.3	Confident	87.9	Confident	63 Å²	63	54.1 Å²	54.1	44%	0.441	30%	0.297	S	S	.	.	H	α-helix	trans	-67	-36.7	176.6	74.7	0	0	0	0	113.2	G296 I297 V298 L303 A304	G296-S300 PolarHBondContact O-N 3.37Å; I297-S300 WeakPolarHBondContact CA-OG 3.34Å; I297-S300 PolarHBondContact O-N 3.02Å; I297-S300 VanDerWaalsContact O-N 3.1Å; I297-S300 PolarHBondContact O-OG 3.33Å; V298-S300 VanDerWaalsContact C-N 3.3Å; V298-S300 PolarHBondContact O-N 3.35Å; S300-L303 PolarHBondContact O-N 3.47Å; S300-A304 WeakPolarHBondContact O-CB 3.46Å; S300-A304 PolarHBondContact O-N 3.21Å
301	V	89.8	Confident	88.5	Confident	10 Å²	10	54 Å²	54	6%	0.061	30%	0.301	C	S	.	.	H	α-helix	trans	-67.7	-44.9	176.6	168	0	0	0	0	110.5	I297 V298 L303 A304 A305 L350 A353	I297-V301 HydrophobicContact CG2-CG2 4.27Å; I297-V301 WeakPolarHBondContact O-CG2 3.43Å; I297-V301 PolarHBondContact O-N 3.22Å; V298-V301 PolarHBondContact O-N 2.87Å; V301-L303 VanDerWaalsContact C-N 3.3Å; V301-L303 PolarHBondContact O-N 2.82Å; V301-A304 PolarHBondContact O-N 3.07Å; V301-A305 VanDerWaalsContact O-CB 3.31Å; V301-A305 WeakPolarHBondContact O-CB 3.45Å; V301-A305 PolarHBondContact O-N 3.45Å; V301-L350 HydrophobicContact CG1-CB 3.77Å; V301-L350 HydrophobicContact CG1-CD1 4.32Å; V301-L350 HydrophobicContact CG2-CB 4.43Å; V301-A353 HydrophobicContact CG2-CB 4.25Å
302	L	91.3	Very high	88.9	Confident	64 Å²	64	51 Å²	51	34%	0.335	29%	0.286	S	S	.	.	H	α-helix	trans	-60.9	-40.6	176.4	-68.4	173.6	0	0	0	111.7	V298 L306 I347	V298-L302 HydrophobicContact CG1-CD1 4.05Å; V298-L302 HydrophobicContact CG1-CG 4.4Å; V298-L302 WeakPolarHBondContact O-CG 3.07Å; V298-L302 PolarHBondContact O-N 3.5Å; L302-L306 WeakPolarHBondContact O-CB 3.39Å; L302-L306 PolarHBondContact O-N 3.33Å; L302-L306 VanDerWaalsContact O-N 3.11Å; L302-I347 HydrophobicContact CD2-CD1 3.75Å; L302-I347 HydrophobicContact CD2-CG1 4.17Å
303	L	93.5	Very high	89.1	Confident	106 Å²	106	44.7 Å²	44.7	56%	0.555	26%	0.262	S	S	*	.	H	α-helix	trans	-67.6	-45.8	176.3	-177.9	66.1	0	0	0	112	L299 S300 V301 L306 L307	L299-L303 WeakPolarHBondContact O-CB 3.44Å; L299-L303 PolarHBondContact O-N 3.12Å; S300-L303 PolarHBondContact O-N 3.47Å; V301-L303 VanDerWaalsContact C-N 3.3Å; V301-L303 PolarHBondContact O-N 2.82Å; L303-L306 WeakPolarHBondContact O-CB 3.41Å; L303-L306 PolarHBondContact O-N 3.28Å; L303-L307 WeakPolarHBondContact O-CG 3.36Å; L303-L307 PolarHBondContact O-N 2.76Å
304	A	91.9	Very high	89.4	Confident	20 Å²	20	46.7 Å²	46.7	17%	0.165	27%	0.274	C	S	.	.	H	α-helix	trans	-62.8	-44.4	178.6	0	0	0	0	0	111.8	S300 V301 L306 L307 L308 L350 I913	S300-A304 WeakPolarHBondContact O-CB 3.46Å; S300-A304 PolarHBondContact O-N 3.21Å; V301-A304 PolarHBondContact O-N 3.07Å; A304-L306 VanDerWaalsContact C-N 3.28Å; A304-L306 PolarHBondContact O-N 3.04Å; A304-L307 PolarHBondContact O-N 3.5Å; A304-L308 VanDerWaalsContact O-CG 3.31Å; A304-L308 WeakPolarHBondContact O-CG 3.15Å; A304-L308 PolarHBondContact O-N 3.33Å; A304-L350 HydrophobicContact CB-CD1 4.38Å; A304-I913 HydrophobicContact CB-CD1 3.95Å
305	A	92.9	Very high	89.7	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.2	-38.3	175.3	0	0	0	0	0	111.8	V301 L308 A309 Y343 I347	V301-A305 VanDerWaalsContact O-CB 3.31Å; V301-A305 WeakPolarHBondContact O-CB 3.45Å; V301-A305 PolarHBondContact O-N 3.45Å; A305-L308 PolarHBondContact O-N 3.23Å; A305-A309 WeakPolarHBondContact O-CB 3.07Å; A305-A309 PolarHBondContact O-N 3.13Å; A305-Y343 HydrophobicContact CB-CD2 4Å; A305-Y343 HydrophobicContact CB-CE2 3.99Å; A305-I347 HydrophobicContact CB-CG1 3.75Å
306	L	93.7	Very high	89.5	Confident	82 Å²	82	44.5 Å²	44.5	43%	0.429	26%	0.26	S	S	.	.	H	α-helix	trans	-63.5	-46.2	176	-177.5	65.6	0	0	0	111.6	L302 L303 A304 L308 A309 I310 Y343	L302-L306 WeakPolarHBondContact O-CB 3.39Å; L302-L306 PolarHBondContact O-N 3.33Å; L302-L306 VanDerWaalsContact O-N 3.11Å; L303-L306 WeakPolarHBondContact O-CB 3.41Å; L303-L306 PolarHBondContact O-N 3.28Å; A304-L306 VanDerWaalsContact C-N 3.28Å; A304-L306 PolarHBondContact O-N 3.04Å; L306-L308 PolarHBondContact O-N 2.9Å; L306-A309 PolarHBondContact O-N 2.87Å; L306-I310 HydrophobicContact CD1-CD1 4.47Å; L306-I310 HydrophobicContact CG-CD1 4.16Å; L306-I310 VanDerWaalsContact O-CG1 3.3Å; L306-I310 WeakPolarHBondContact O-CG1 3.38Å; L306-I310 PolarHBondContact O-N 2.85Å; L306-Y343 HydrophobicContact CB-CD2 4.28Å; L306-Y343 HydrophobicContact CB-CE2 3.86Å; L306-Y343 HydrophobicContact CD1-CD2 4.44Å; L306-Y343 HydrophobicContact CD1-CE2 4.33Å
307	L	93.7	Very high	89.4	Confident	111 Å²	111	50.3 Å²	50.3	58%	0.581	27%	0.272	S	S	*	.	H	α-helix	trans	-63.1	-42.4	178.6	-67.8	173.5	0	0	0	111.8	L303 A304 I310 G311	L303-L307 WeakPolarHBondContact O-CG 3.36Å; L303-L307 PolarHBondContact O-N 2.76Å; A304-L307 PolarHBondContact O-N 3.5Å; L307-I310 PolarHBondContact O-N 2.87Å; L307-G311 PolarHBondContact O-N 2.8Å
308	L	92.4	Very high	89.2	Confident	10 Å²	10	55 Å²	55	5%	0.052	29%	0.293	C	S	.	.	H	α-helix	trans	-67.1	-37.6	176.9	-66.2	169.5	0	0	0	112	A304 A305 L306 G311 A312 Y346 I913 F921	A304-L308 VanDerWaalsContact O-CG 3.31Å; A304-L308 WeakPolarHBondContact O-CG 3.15Å; A304-L308 PolarHBondContact O-N 3.33Å; A305-L308 PolarHBondContact O-N 3.23Å; L306-L308 PolarHBondContact O-N 2.9Å; L308-G311 PolarHBondContact O-N 3.32Å; L308-A312 PolarHBondContact O-N 3.36Å; L308-Y346 HydrophobicContact CB-CD2 3.72Å; L308-Y346 HydrophobicContact CB-CE2 3.64Å; L308-Y346 HydrophobicContact CB-CG 4.24Å; L308-Y346 HydrophobicContact CD1-CD1 3.7Å; L308-Y346 HydrophobicContact CD1-CD2 4.28Å; L308-Y346 HydrophobicContact CD1-CE1 3.77Å; L308-Y346 HydrophobicContact CD1-CE2 4.34Å; L308-Y346 HydrophobicContact CD1-CG 3.98Å; L308-I913 HydrophobicContact CD1-CG1 4.31Å; L308-I913 HydrophobicContact CD1-CG2 4.28Å; L308-I913 HydrophobicContact CD2-CG2 4.31Å; L308-F921 HydrophobicContact CB-CD1 4.41Å; L308-F921 HydrophobicContact CD2-CD1 3.69Å; L308-F921 HydrophobicContact CD2-CE1 3.83Å
309	A	92.3	Very high	88.8	Confident	6 Å²	6	56 Å²	56	5%	0.05	30%	0.299	C	S	.	.	H	α-helix	trans	-65	-40.5	175.2	0	0	0	0	0	112.8	A305 L306 G311 A312 G313 G339 Y343	A305-A309 WeakPolarHBondContact O-CB 3.07Å; A305-A309 PolarHBondContact O-N 3.13Å; L306-A309 PolarHBondContact O-N 2.87Å; A309-G311 VanDerWaalsContact C-N 3.31Å; A309-A312 PolarHBondContact O-N 3.46Å; A309-G313 PolarHBondContact O-N 2.85Å; A309-G339 WeakPolarHBondContact CB-O 3.49Å; A309-Y343 HydrophobicContact CB-CD2 4.22Å; A309-Y343 HydrophobicContact CB-CG 4.45Å
310	I	91.9	Very high	87.9	Confident	97 Å²	97	52.3 Å²	52.3	50%	0.497	28%	0.28	S	S	.	.	H	α-helix	trans	-61.8	-44.2	172.1	-66.8	164.6	0	0	0	109.6	L306 L307 A312 G313 V314	L306-I310 HydrophobicContact CD1-CD1 4.47Å; L306-I310 HydrophobicContact CG-CD1 4.16Å; L306-I310 VanDerWaalsContact O-CG1 3.3Å; L306-I310 WeakPolarHBondContact O-CG1 3.38Å; L306-I310 PolarHBondContact O-N 2.85Å; L307-I310 PolarHBondContact O-N 2.87Å; I310-A312 VanDerWaalsContact C-N 3.34Å; I310-A312 PolarHBondContact O-N 3.11Å; I310-G313 PolarHBondContact O-N 2.55Å; I310-V314 HydrophobicContact CG2-CG2 4.47Å; I310-V314 WeakPolarHBondContact O-CG2 3.36Å; I310-V314 PolarHBondContact O-N 2.8Å
311	G	90.1	Very high	86.9	Confident	16 Å²	16	53.6 Å²	53.6	17%	0.165	29%	0.285	C	S	.	.	H	α-helix	trans	-55.9	-45.2	173.8	0	0	0	0	0	112.9	L307 L308 A309 V314 F315	L307-G311 PolarHBondContact O-N 2.8Å; L308-G311 PolarHBondContact O-N 3.32Å; A309-G311 VanDerWaalsContact C-N 3.31Å; G311-V314 PolarHBondContact O-N 3.43Å; G311-F315 VanDerWaalsContact O-CB 3.3Å; G311-F315 WeakPolarHBondContact O-CB 3.4Å; G311-F315 PolarHBondContact O-N 2.92Å
312	A	88.4	Confident	86	Confident	5 Å²	5	60.9 Å²	60.9	4%	0.041	32%	0.318	C	S	.	.	H	α-helix	trans	-63.3	-42.4	176.2	0	0	0	0	0	112.8	L308 A309 I310 F315 S316 V342 F921	L308-A312 PolarHBondContact O-N 3.36Å; A309-A312 PolarHBondContact O-N 3.46Å; I310-A312 VanDerWaalsContact C-N 3.34Å; I310-A312 PolarHBondContact O-N 3.11Å; A312-F315 PolarHBondContact O-N 2.88Å; A312-S316 VanDerWaalsContact O-CB 3.22Å; A312-S316 WeakPolarHBondContact O-CB 3.44Å; A312-S316 PolarHBondContact O-N 3.12Å; A312-V342 HydrophobicContact CB-CB 4.14Å; A312-V342 HydrophobicContact CB-CG1 3.71Å; A312-V342 HydrophobicContact CB-CG2 4.17Å; A312-F921 HydrophobicContact CB-CB 3.64Å
313	G	87.5	Confident	85	Confident	13 Å²	13	60.6 Å²	60.6	13%	0.134	32%	0.32	C	S	.	.	H	α-helix	trans	-62.3	-43.7	175.9	0	0	0	0	0	112.4	A309 I310 S316 Y317	A309-G313 PolarHBondContact O-N 2.85Å; I310-G313 PolarHBondContact O-N 2.55Å; G313-S316 PolarHBondContact O-N 3.47Å; G313-Y317 PolarHBondContact O-N 3.48Å
314	V	87.9	Confident	83.6	Confident	67 Å²	67	60.7 Å²	60.7	41%	0.406	33%	0.329	S	S	.	.	H	α-helix	trans	-65.2	-45.5	176.1	174.1	0	0	0	0	111.1	I310 G311 S316 Y317 Q318	I310-V314 HydrophobicContact CG2-CG2 4.47Å; I310-V314 WeakPolarHBondContact O-CG2 3.36Å; I310-V314 PolarHBondContact O-N 2.8Å; G311-V314 PolarHBondContact O-N 3.43Å; V314-S316 VanDerWaalsContact C-N 3.34Å; V314-S316 PolarHBondContact O-N 3.27Å; V314-Y317 PolarHBondContact O-N 3.44Å; V314-Q318 HydrophobicContact CG1-CG 4.28Å; V314-Q318 WeakPolarHBondContact O-CB 3.39Å; V314-Q318 WeakPolarHBondContact O-CG 3.11Å; V314-Q318 PolarHBondContact O-N 3.14Å
315	F	86	Confident	82.5	Confident	65 Å²	65	67.3 Å²	67.3	29%	0.285	35%	0.354	S	S	.	.	H	α-helix	trans	-61.7	-42.4	177.2	-176.4	-95.6	0	0	0	111.9	G311 A312 Y317 Q318 V319 M320 G920 F921	G311-F315 VanDerWaalsContact O-CB 3.3Å; G311-F315 WeakPolarHBondContact O-CB 3.4Å; G311-F315 PolarHBondContact O-N 2.92Å; A312-F315 PolarHBondContact O-N 2.88Å; F315-Y317 VanDerWaalsContact C-N 3.29Å; F315-Y317 PolarHBondContact O-N 3.49Å; F315-Q318 PolarHBondContact O-N 3.34Å; F315-V319 HydrophobicContact CD2-CB 4.1Å; F315-V319 HydrophobicContact CD2-CG2 3.87Å; F315-V319 HydrophobicContact CE1-CB 4.46Å; F315-V319 HydrophobicContact CE2-CB 3.84Å; F315-V319 HydrophobicContact CE2-CG1 3.92Å; F315-V319 HydrophobicContact CE2-CG2 3.79Å; F315-V319 HydrophobicContact CZ-CB 4.03Å; F315-V319 HydrophobicContact CZ-CG1 3.84Å; F315-V319 HydrophobicContact CZ-CG2 4.48Å; F315-V319 PolarHBondContact O-N 3.29Å; F315-M320 PolarHBondContact O-N 3.22Å; F315-G920 WeakPolarHBondContact CD1-O 3.47Å; F315-F921 HydrophobicContact CB-CD2 4.34Å
316	S	80.9	Confident	81.2	Confident	6 Å²	6	69.9 Å²	69.9	4%	0.042	37%	0.368	C	S	.	.	I	π-helix	trans	-60.4	-38.8	175.3	-171.7	0	0	0	0	111.9	A312 G313 V314 M320 N338	A312-S316 VanDerWaalsContact O-CB 3.22Å; A312-S316 WeakPolarHBondContact O-CB 3.44Å; A312-S316 PolarHBondContact O-N 3.12Å; G313-S316 PolarHBondContact O-N 3.47Å; V314-S316 VanDerWaalsContact C-N 3.34Å; V314-S316 PolarHBondContact O-N 3.27Å; S316-M320 WeakPolarHBondContact O-CB 3.49Å; S316-M320 WeakPolarHBondContact OG-CE 3.42Å; S316-N338 PolarHBondContact OG-ND2 3.33Å
317	Y	82.7	Confident	79.5	Confident	161 Å²	161	68.5 Å²	68.5	63%	0.631	37%	0.365	S	S	*	.	I	π-helix	trans	-74.9	-44.4	178.7	178.5	-104.7	0	0	0	112.7	G313 V314 F315 T321 P335	G313-Y317 PolarHBondContact O-N 3.48Å; V314-Y317 PolarHBondContact O-N 3.44Å; F315-Y317 VanDerWaalsContact C-N 3.29Å; F315-Y317 PolarHBondContact O-N 3.49Å; Y317-T321 PolarHBondContact O-OG1 3.06Å; Y317-P335 HydrophobicContact CD2-CG 4.46Å
318	Q	82.7	Confident	77.9	Confident	110 Å²	110	67.2 Å²	67.2	51%	0.514	37%	0.371	S	S	.	.	I	π-helix	trans	-84.2	-43	-171.1	-69.8	-177.5	-20	0	0	113.8	V314 F315 Q322	V314-Q318 HydrophobicContact CG1-CG 4.28Å; V314-Q318 WeakPolarHBondContact O-CB 3.39Å; V314-Q318 WeakPolarHBondContact O-CG 3.11Å; V314-Q318 PolarHBondContact O-N 3.14Å; F315-Q318 PolarHBondContact O-N 3.34Å; Q318-Q322 VanDerWaalsContact O-CG 3.31Å; Q318-Q322 WeakPolarHBondContact O-CG 3.2Å; Q318-Q322 PolarHBondContact O-OE1 2.9Å
319	V	77.8	Confident	76.4	Confident	55 Å²	55	72.7 Å²	72.7	33%	0.333	40%	0.399	S	S	.	.	I	π-helix	trans	-104.1	-45.3	-169.5	-179.1	0	0	0	0	111	F315 T321 Q322 T323	F315-V319 HydrophobicContact CD2-CB 4.1Å; F315-V319 HydrophobicContact CD2-CG2 3.87Å; F315-V319 HydrophobicContact CE1-CB 4.46Å; F315-V319 HydrophobicContact CE2-CB 3.84Å; F315-V319 HydrophobicContact CE2-CG1 3.92Å; F315-V319 HydrophobicContact CE2-CG2 3.79Å; F315-V319 HydrophobicContact CZ-CB 4.03Å; F315-V319 HydrophobicContact CZ-CG1 3.84Å; F315-V319 HydrophobicContact CZ-CG2 4.48Å; F315-V319 PolarHBondContact O-N 3.29Å; V319-T321 VanDerWaalsContact C-N 3.35Å; V319-T321 PolarHBondContact O-N 3.27Å; V319-Q322 PolarHBondContact O-N 3.23Å; V319-Q322 VanDerWaalsContact O-N 3.15Å; V319-T323 PolarHBondContact O-N 2.95Å; V319-T323 PolarHBondContact O-OG1 2.88Å
320	M	70.9	Confident	74.8	Confident	32 Å²	32	74.7 Å²	74.7	16%	0.158	41%	0.411	C	S	.	.	I	π-helix	trans	-72.8	-26.3	-170.9	-159.5	151.6	63.3	0	0	113.4	F315 S316 L326 V330 N338	F315-M320 PolarHBondContact O-N 3.22Å; S316-M320 WeakPolarHBondContact O-CB 3.49Å; S316-M320 WeakPolarHBondContact OG-CE 3.42Å; M320-L326 HydrophobicContact CG-CB 3.87Å; M320-V330 HydrophobicContact CE-CG2 3.41Å; M320-V330 VanDerWaalsContact CE-CG2 3.41Å; M320-V330 HydrophobicContact CG-CG2 3.57Å; M320-V330 HydrophobicContact SD-CG2 3.6Å; M320-V330 VanDerWaalsContact SD-CG2 3.6Å; M320-N338 WeakPolarHBondContact CE-ND2 3.43Å
321	T	67.4	Low	72.9	Confident	90 Å²	90	76.4 Å²	76.4	55%	0.552	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-23.3	172	58.3	0	0	0	0	113.2	Y317 V319	Y317-T321 PolarHBondContact O-OG1 3.06Å; V319-T321 VanDerWaalsContact C-N 3.35Å; V319-T321 PolarHBondContact O-N 3.27Å
322	Q	69.1	Low	71.2	Confident	162 Å²	162	83.6 Å²	83.6	76%	0.757	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-16.2	-174.6	-65.8	-171.4	-4.8	0	0	113.6	Q318 V319	Q318-Q322 VanDerWaalsContact O-CG 3.31Å; Q318-Q322 WeakPolarHBondContact O-CG 3.2Å; Q318-Q322 PolarHBondContact O-OE1 2.9Å; V319-Q322 PolarHBondContact O-N 3.23Å; V319-Q322 VanDerWaalsContact O-N 3.15Å
323	T	71.5	Confident	69.9	Low	59 Å²	59	84.7 Å²	84.7	36%	0.362	47%	0.472	S	S	.	.			trans	-108.3	119.5	-177.1	32.5	0	0	0	0	112.1	V319 F325 L326 S327	V319-T323 PolarHBondContact O-N 2.95Å; V319-T323 PolarHBondContact O-OG1 2.88Å; T323-F325 VanDerWaalsContact C-N 3.33Å; T323-F325 PolarHBondContact O-N 3.49Å; T323-L326 PolarHBondContact O-N 2.77Å; T323-S327 PolarHBondContact O-N 2.95Å; T323-S327 PolarHBondContact O-OG 3.35Å
324	S	63	Low	69.6	Low	108 Å²	108	89.1 Å²	89.1	76%	0.755	49%	0.492	S	S	*	.	H	α-helix	trans	-62.1	-29	-171.9	56.1	0	0	0	0	115.6	S327	S324-S327 WeakPolarHBondContact CA-OG 3.39Å; S324-S327 PolarHBondContact O-OG 2.66Å; S324-S327 VanDerWaalsContact O-OG 3.04Å
325	F	68.6	Low	69.3	Low	158 Å²	158	88 Å²	88	69%	0.693	49%	0.486	S	S	*	.	H	α-helix	trans	-76	-38.4	176.6	174.9	-99.3	0	0	0	112.5	T323 L329	T323-F325 VanDerWaalsContact C-N 3.33Å; T323-F325 PolarHBondContact O-N 3.49Å; F325-L329 HydrophobicContact CE1-CD1 4.34Å
326	L	65.9	Low	69.2	Low	55 Å²	55	88.1 Å²	88.1	29%	0.288	50%	0.5	S	S	.	.	H	α-helix	trans	-83.5	-27.4	-178.1	-64.7	175.2	0	0	0	112.2	M320 T323 A328 L329	M320-L326 HydrophobicContact CG-CB 3.87Å; T323-L326 PolarHBondContact O-N 2.77Å; L326-A328 PolarHBondContact O-N 2.71Å; L326-L329 HydrophobicContact CD2-CD1 4.19Å; L326-L329 PolarHBondContact O-N 2.67Å; L326-L329 VanDerWaalsContact O-N 3.13Å
327	S	59	Low	69.5	Low	53 Å²	53	94.2 Å²	94.2	37%	0.371	52%	0.523	S	S	.	.	H	α-helix	trans	-63.2	-25.5	173.7	63.1	0	0	0	0	113.1	T323 S324 L329 V330	T323-S327 PolarHBondContact O-N 2.95Å; T323-S327 PolarHBondContact O-OG 3.35Å; S324-S327 WeakPolarHBondContact CA-OG 3.39Å; S324-S327 PolarHBondContact O-OG 2.66Å; S324-S327 VanDerWaalsContact O-OG 3.04Å; S327-L329 VanDerWaalsContact C-N 3.33Å; S327-V330 PolarHBondContact O-N 3.35Å
328	A	60.8	Low	69.6	Low	84 Å²	84	88.7 Å²	88.7	69%	0.694	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-19.7	175.9	0	0	0	0	0	113.8	L326	L326-A328 PolarHBondContact O-N 2.71Å
329	L	59.4	Low	69.8	Low	124 Å²	124	83.9 Å²	83.9	65%	0.649	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-13.9	175.9	-80.1	148.9	0	0	0	112.5	F325 L326 S327 V331	F325-L329 HydrophobicContact CE1-CD1 4.34Å; L326-L329 HydrophobicContact CD2-CD1 4.19Å; L326-L329 PolarHBondContact O-N 2.67Å; L326-L329 VanDerWaalsContact O-N 3.13Å; S327-L329 VanDerWaalsContact C-N 3.33Å; L329-V331 PolarHBondContact O-N 3.43Å
330	V	58.3	Low	70.4	Confident	49 Å²	49	86.6 Å²	86.6	30%	0.297	49%	0.491	S	S	.	.			trans	-93.9	96.9	178.5	-176.6	0	0	0	0	109.4	M320 S327 D332	M320-V330 HydrophobicContact CE-CG2 3.41Å; M320-V330 VanDerWaalsContact CE-CG2 3.41Å; M320-V330 HydrophobicContact CG-CG2 3.57Å; M320-V330 HydrophobicContact SD-CG2 3.6Å; M320-V330 VanDerWaalsContact SD-CG2 3.6Å; S327-V330 PolarHBondContact O-N 3.35Å; V330-D332 PolarHBondContact O-N 3.3Å
331	V	53.3	Low	71.2	Confident	132 Å²	132	86.8 Å²	86.8	80%	0.8	49%	0.493	S	S	*	.			trans	-76.1	99.9	170.2	-177.7	0	0	0	0	108.3	L329 G333	L329-V331 PolarHBondContact O-N 3.43Å; V331-G333 VanDerWaalsContact C-N 3.27Å; V331-G333 PolarHBondContact O-N 3.35Å
332	D	54.5	Low	72.2	Confident	168 Å²	168	83.1 Å²	83.1	90%	0.898	47%	0.47	S	S	*	.	S	Bend	trans	38.5	42.5	164.9	-67.3	-36.3	0	0	0	117	V330	V330-D332 PolarHBondContact O-N 3.3Å
333	G	60.3	Low	73.4	Confident	28 Å²	28	77.9 Å²	77.9	29%	0.289	44%	0.444	S	S	.	.			trans	-101	123.8	-175	0	0	0	0	0	113.6	V331	V331-G333 VanDerWaalsContact C-N 3.27Å; V331-G333 PolarHBondContact O-N 3.35Å
334	N	80.5	Confident	74.3	Confident	106 Å²	106	78.7 Å²	78.7	57%	0.567	44%	0.44	S	S	*	.			trans	-53.1	130.7	164.1	179.7	-16.2	0	0	0	109.6	A336 Y337 N338	N334-A336 PolarHBondContact O-N 3.4Å; N334-A336 WeakPolarHBondContact OD1-CB 3.28Å; N334-A336 PolarHBondContact OD1-N 3.09Å; N334-Y337 WeakPolarHBondContact O-CA 3.38Å; N334-Y337 WeakPolarHBondContact O-CB 3.2Å; N334-Y337 PolarHBondContact O-N 3.04Å; N334-N338 PolarHBondContact O-N 3.12Å; N334-N338 VanDerWaalsContact O-N 3.09Å
335	P	82.1	Confident	75.7	Confident	43 Å²	43	74.2 Å²	74.2	28%	0.279	41%	0.409	S	S	.	.	H	α-helix	trans	-52	-32.2	177.9	-28.1	34.1	0	0	0	113.8	Y317 G339	Y317-P335 HydrophobicContact CD2-CG 4.46Å; P335-G339 PolarHBondContact O-N 2.92Å
336	A	85.2	Confident	76.8	Confident	68 Å²	68	66.8 Å²	66.8	56%	0.562	38%	0.377	S	S	*	.	H	α-helix	trans	-68.1	-35.8	174.7	0	0	0	0	0	112.8	N334 F340	N334-A336 PolarHBondContact O-N 3.4Å; N334-A336 WeakPolarHBondContact OD1-CB 3.28Å; N334-A336 PolarHBondContact OD1-N 3.09Å; A336-F340 WeakPolarHBondContact O-CB 3.07Å; A336-F340 PolarHBondContact O-N 3.18Å
337	Y	85.9	Confident	78	Confident	134 Å²	134	64.3 Å²	64.3	53%	0.525	36%	0.364	S	S	.	.	H	α-helix	trans	-71.7	-39.7	176.8	-177.9	-109.9	0	0	0	111.7	N334 F340 L341	N334-Y337 WeakPolarHBondContact O-CA 3.38Å; N334-Y337 WeakPolarHBondContact O-CB 3.2Å; N334-Y337 PolarHBondContact O-N 3.04Å; Y337-F340 WeakPolarHBondContact O-CB 3.31Å; Y337-F340 PolarHBondContact O-N 3.1Å; Y337-L341 HydrophobicContact CD1-CD1 4.21Å; Y337-L341 HydrophobicContact CE1-CD1 3.65Å; Y337-L341 HydrophobicContact CE1-CG 4.23Å; Y337-L341 PolarHBondContact O-N 3.22Å
338	N	84.3	Confident	79.5	Confident	45 Å²	45	61.8 Å²	61.8	24%	0.241	35%	0.346	C	S	.	.	H	α-helix	trans	-61.6	-48	172.5	-171	7.3	0	0	0	111	S316 M320 N334 F340 L341 V342	S316-N338 PolarHBondContact OG-ND2 3.33Å; M320-N338 WeakPolarHBondContact CE-ND2 3.43Å; N334-N338 PolarHBondContact O-N 3.12Å; N334-N338 VanDerWaalsContact O-N 3.09Å; N338-F340 VanDerWaalsContact C-N 3.25Å; N338-F340 PolarHBondContact O-N 3.42Å; N338-L341 PolarHBondContact O-N 2.88Å; N338-L341 VanDerWaalsContact O-N 3.17Å; N338-V342 WeakPolarHBondContact O-CB 3.42Å; N338-V342 WeakPolarHBondContact O-CG2 3.37Å; N338-V342 PolarHBondContact O-N 3.17Å
339	G	87.7	Confident	80.9	Confident	9 Å²	9	57.8 Å²	57.8	9%	0.093	31%	0.313	C	S	.	.	H	α-helix	trans	-56.2	-38.7	172.6	0	0	0	0	0	112.9	A309 P335 V342 Y343	A309-G339 WeakPolarHBondContact CB-O 3.49Å; P335-G339 PolarHBondContact O-N 2.92Å; G339-V342 PolarHBondContact O-N 3.26Å; G339-Y343 WeakPolarHBondContact O-CB 3.01Å; G339-Y343 PolarHBondContact O-N 3.47Å
340	F	89.6	Confident	82.3	Confident	111 Å²	111	52.1 Å²	52.1	49%	0.487	28%	0.283	S	S	.	.	H	α-helix	trans	-64.6	-43.2	175.7	176.4	-97.8	0	0	0	113.2	A336 Y337 N338 Y343 W344	A336-F340 WeakPolarHBondContact O-CB 3.07Å; A336-F340 PolarHBondContact O-N 3.18Å; Y337-F340 WeakPolarHBondContact O-CB 3.31Å; Y337-F340 PolarHBondContact O-N 3.1Å; N338-F340 VanDerWaalsContact C-N 3.25Å; N338-F340 PolarHBondContact O-N 3.42Å; F340-Y343 WeakPolarHBondContact O-CB 3.35Å; F340-Y343 PolarHBondContact O-N 2.63Å; F340-W344 AromaticContact CE1-CD1 3.95Å; F340-W344 AromaticContact CE1-NE1 3.82Å; F340-W344 AromaticContact CE2-NE1 3.31Å; F340-W344 VanDerWaalsContact CE2-NE1 3.31Å; F340-W344 AromaticContact CZ-CD1 3.81Å; F340-W344 AromaticContact CZ-NE1 3.2Å; F340-W344 PolarHBondContact O-N 3.05Å
341	L	88.6	Confident	83.5	Confident	37 Å²	37	50.2 Å²	50.2	19%	0.194	27%	0.272	C	S	.	.	H	α-helix	trans	-67.1	-41.2	176	-66.9	178.5	0	0	0	111.8	I82 Y337 N338 Y343 W344 S345	I82-L341 HydrophobicContact CG2-CB 4.44Å; I82-L341 HydrophobicContact CG2-CD2 3.76Å; Y337-L341 HydrophobicContact CD1-CD1 4.21Å; Y337-L341 HydrophobicContact CE1-CD1 3.65Å; Y337-L341 HydrophobicContact CE1-CG 4.23Å; Y337-L341 PolarHBondContact O-N 3.22Å; N338-L341 PolarHBondContact O-N 2.88Å; N338-L341 VanDerWaalsContact O-N 3.17Å; L341-Y343 VanDerWaalsContact C-N 3.32Å; L341-Y343 PolarHBondContact O-N 2.58Å; L341-W344 PolarHBondContact O-N 3.45Å; L341-S345 PolarHBondContact O-N 2.84Å; L341-S345 PolarHBondContact O-OG 3.17Å
342	V	89.4	Confident	84.8	Confident	12 Å²	12	45 Å²	45	7%	0.073	24%	0.241	C	C	.	.	H	α-helix	trans	-64.9	-35.6	177.2	171.4	0	0	0	0	111.6	A312 N338 G339 W344 S345 Y346 F921	A312-V342 HydrophobicContact CB-CB 4.14Å; A312-V342 HydrophobicContact CB-CG1 3.71Å; A312-V342 HydrophobicContact CB-CG2 4.17Å; N338-V342 WeakPolarHBondContact O-CB 3.42Å; N338-V342 WeakPolarHBondContact O-CG2 3.37Å; N338-V342 PolarHBondContact O-N 3.17Å; G339-V342 PolarHBondContact O-N 3.26Å; V342-W344 PolarHBondContact O-N 3.4Å; V342-S345 PolarHBondContact O-N 3.33Å; V342-Y346 HydrophobicContact CG1-CD2 3.44Å; V342-Y346 VanDerWaalsContact CG1-CD2 3.44Å; V342-Y346 HydrophobicContact CG1-CE2 3.34Å; V342-Y346 WeakPolarHBondContact O-CD2 3.42Å; V342-Y346 PolarHBondContact O-N 3.08Å; V342-F921 WeakPolarHBondContact CG1-O 3.44Å
343	Y	92.6	Very high	86	Confident	52 Å²	52	37.3 Å²	37.3	20%	0.204	20%	0.201	C	C	.	.	H	α-helix	trans	-54.8	-52.2	173.7	176.6	-111.5	0	0	0	112	A305 L306 A309 G339 F340 L341 S345 Y346 I347	A305-Y343 HydrophobicContact CB-CD2 4Å; A305-Y343 HydrophobicContact CB-CE2 3.99Å; L306-Y343 HydrophobicContact CB-CD2 4.28Å; L306-Y343 HydrophobicContact CB-CE2 3.86Å; L306-Y343 HydrophobicContact CD1-CD2 4.44Å; L306-Y343 HydrophobicContact CD1-CE2 4.33Å; A309-Y343 HydrophobicContact CB-CD2 4.22Å; A309-Y343 HydrophobicContact CB-CG 4.45Å; G339-Y343 WeakPolarHBondContact O-CB 3.01Å; G339-Y343 PolarHBondContact O-N 3.47Å; F340-Y343 WeakPolarHBondContact O-CB 3.35Å; F340-Y343 PolarHBondContact O-N 2.63Å; L341-Y343 VanDerWaalsContact C-N 3.32Å; L341-Y343 PolarHBondContact O-N 2.58Å; Y343-S345 VanDerWaalsContact C-N 3.33Å; Y343-S345 PolarHBondContact O-N 3.36Å; Y343-Y346 PolarHBondContact O-N 3.4Å; Y343-I347 HydrophobicContact CD1-CD1 3.97Å; Y343-I347 HydrophobicContact CD2-CD1 4.49Å; Y343-I347 HydrophobicContact CE1-CD1 3.49Å; Y343-I347 VanDerWaalsContact CE1-CD1 3.49Å; Y343-I347 HydrophobicContact CE2-CD1 4.07Å; Y343-I347 HydrophobicContact CG-CD1 4.45Å; Y343-I347 WeakPolarHBondContact O-CG1 3.17Å; Y343-I347 PolarHBondContact O-N 2.76Å; Y343-I347 VanDerWaalsContact O-N 3.13Å
344	W	91.6	Very high	86.7	Confident	76 Å²	76	36.2 Å²	36.2	29%	0.288	19%	0.188	S	C	.	.	H	α-helix	trans	-66.7	-35.7	177.6	-69.5	108.7	0	0	0	112.4	L76 I82 F340 L341 V342 Y346 I347 I348	L76-W344 HydrophobicContact CD1-CE3 3.88Å; L76-W344 HydrophobicContact CD1-CZ3 3.74Å; L76-W344 HydrophobicContact CD2-CE3 4Å; L76-W344 HydrophobicContact CD2-CZ3 4.09Å; I82-W344 HydrophobicContact CB-CB 4.03Å; I82-W344 HydrophobicContact CD1-CB 4.02Å; I82-W344 HydrophobicContact CG2-CB 3.88Å; F340-W344 AromaticContact CE1-CD1 3.95Å; F340-W344 AromaticContact CE1-NE1 3.82Å; F340-W344 AromaticContact CE2-NE1 3.31Å; F340-W344 VanDerWaalsContact CE2-NE1 3.31Å; F340-W344 AromaticContact CZ-CD1 3.81Å; F340-W344 AromaticContact CZ-NE1 3.2Å; F340-W344 PolarHBondContact O-N 3.05Å; L341-W344 PolarHBondContact O-N 3.45Å; V342-W344 PolarHBondContact O-N 3.4Å; W344-Y346 PolarHBondContact O-N 2.93Å; W344-I347 HydrophobicContact CE3-CD1 3.9Å; W344-I347 HydrophobicContact CZ3-CD1 4.13Å; W344-I347 PolarHBondContact O-N 3.48Å; W344-I348 WeakPolarHBondContact O-CG1 3.37Å; W344-I348 PolarHBondContact O-N 3.45Å; W344-I348 VanDerWaalsContact O-N 3.09Å
345	S	91.4	Very high	86.1	Confident	15 Å²	15	31.4 Å²	31.4	11%	0.105	16%	0.163	C	C	.	.	H	α-helix	trans	-63.9	-39.2	177.4	-55.6	0	0	0	0	112.5	I82 S84 L341 V342 Y343 I348 L349	I82-S345 WeakPolarHBondContact CA-OG 3.49Å; I82-S345 WeakPolarHBondContact O-CA 3.17Å; I82-S345 PolarHBondContact O-OG 2.84Å; S84-S345 PolarHBondContact OG-O 2.93Å; L341-S345 PolarHBondContact O-N 2.84Å; L341-S345 PolarHBondContact O-OG 3.17Å; V342-S345 PolarHBondContact O-N 3.33Å; Y343-S345 VanDerWaalsContact C-N 3.33Å; Y343-S345 PolarHBondContact O-N 3.36Å; S345-I348 PolarHBondContact O-N 2.7Å; S345-L349 WeakPolarHBondContact O-CB 3.3Å; S345-L349 PolarHBondContact O-N 3.44Å
346	Y	91.9	Very high	85.6	Confident	1 Å²	1	30.8 Å²	30.8	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-72.5	-34	174.4	-85.4	-63.4	0	0	0	113.4	L308 V342 Y343 W344 I348 L349 L350 F921 A923	L308-Y346 HydrophobicContact CB-CD2 3.72Å; L308-Y346 HydrophobicContact CB-CE2 3.64Å; L308-Y346 HydrophobicContact CB-CG 4.24Å; L308-Y346 HydrophobicContact CD1-CD1 3.7Å; L308-Y346 HydrophobicContact CD1-CD2 4.28Å; L308-Y346 HydrophobicContact CD1-CE1 3.77Å; L308-Y346 HydrophobicContact CD1-CE2 4.34Å; L308-Y346 HydrophobicContact CD1-CG 3.98Å; V342-Y346 HydrophobicContact CG1-CD2 3.44Å; V342-Y346 VanDerWaalsContact CG1-CD2 3.44Å; V342-Y346 HydrophobicContact CG1-CE2 3.34Å; V342-Y346 WeakPolarHBondContact O-CD2 3.42Å; V342-Y346 PolarHBondContact O-N 3.08Å; Y343-Y346 PolarHBondContact O-N 3.4Å; W344-Y346 PolarHBondContact O-N 2.93Å; Y346-I348 VanDerWaalsContact C-N 3.26Å; Y346-I348 PolarHBondContact O-N 3.25Å; Y346-L349 HydrophobicContact CD1-CD2 4.04Å; Y346-L349 HydrophobicContact CE1-CD2 4.08Å; Y346-L349 PolarHBondContact O-N 2.9Å; Y346-L350 WeakPolarHBondContact O-CB 3.36Å; Y346-L350 WeakPolarHBondContact O-CG 3.42Å; Y346-L350 PolarHBondContact O-N 3.25Å; Y346-F921 VanDerWaalsContact CE2-O 3.28Å; Y346-F921 WeakPolarHBondContact CE2-O 3.37Å; Y346-F921 VanDerWaalsContact OH-CA 3.22Å; Y346-F921 WeakPolarHBondContact OH-CA 3.31Å; Y346-F921 PolarHBondContact OH-O 3.23Å; Y346-F921 VanDerWaalsContact OH-O 3.08Å; Y346-A923 HydrophobicContact CD1-CB 4.1Å; Y346-A923 HydrophobicContact CD2-CB 3.96Å; Y346-A923 HydrophobicContact CE1-CB 3.95Å; Y346-A923 HydrophobicContact CE2-CB 3.81Å; Y346-A923 HydrophobicContact CG-CB 4.09Å; Y346-A923 PolarHBondContact OH-N 3.48Å
347	I	91.4	Very high	85	Confident	3 Å²	3	28.1 Å²	28.1	2%	0.015	13%	0.134	C	C	.	.	H	α-helix	trans	-58.9	-43.2	172.2	-71.4	170.9	0	0	0	110	M73 L302 A305 Y343 W344 S351	M73-I347 HydrophobicContact CE-CG2 3.27Å; M73-I347 HydrophobicContact SD-CG2 3.89Å; L302-I347 HydrophobicContact CD2-CD1 3.75Å; L302-I347 HydrophobicContact CD2-CG1 4.17Å; A305-I347 HydrophobicContact CB-CG1 3.75Å; Y343-I347 HydrophobicContact CD1-CD1 3.97Å; Y343-I347 HydrophobicContact CD2-CD1 4.49Å; Y343-I347 HydrophobicContact CE1-CD1 3.49Å; Y343-I347 VanDerWaalsContact CE1-CD1 3.49Å; Y343-I347 HydrophobicContact CE2-CD1 4.07Å; Y343-I347 HydrophobicContact CG-CD1 4.45Å; Y343-I347 WeakPolarHBondContact O-CG1 3.17Å; Y343-I347 PolarHBondContact O-N 2.76Å; Y343-I347 VanDerWaalsContact O-N 3.13Å; W344-I347 HydrophobicContact CE3-CD1 3.9Å; W344-I347 HydrophobicContact CZ3-CD1 4.13Å; W344-I347 PolarHBondContact O-N 3.48Å; I347-S351 PolarHBondContact O-N 3.41Å; I347-S351 VanDerWaalsContact O-N 3.11Å
348	I	89.9	Confident	84.7	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-66.5	-46	176	-68.7	166.4	0	0	0	110.8	L76 Q77 I82 S84 I85 W344 S345 Y346 L350 S351	L76-I348 HydrophobicContact CB-CD1 4.23Å; Q77-I348 HydrophobicContact CG-CD1 4.11Å; Q77-I348 HydrophobicContact CG-CG1 4.14Å; Q77-I348 HydrophobicContact CG-CG2 3.64Å; I82-I348 HydrophobicContact CD1-CD1 4.22Å; I82-I348 HydrophobicContact CG1-CD1 4.18Å; I82-I348 WeakPolarHBondContact O-CD1 3.31Å; S84-I348 WeakPolarHBondContact OG-CG2 3.13Å; I85-I348 HydrophobicContact CB-CG2 4.22Å; I85-I348 HydrophobicContact CG1-CG2 4.42Å; W344-I348 WeakPolarHBondContact O-CG1 3.37Å; W344-I348 PolarHBondContact O-N 3.45Å; W344-I348 VanDerWaalsContact O-N 3.09Å; S345-I348 PolarHBondContact O-N 2.7Å; Y346-I348 VanDerWaalsContact C-N 3.26Å; Y346-I348 PolarHBondContact O-N 3.25Å; I348-L350 VanDerWaalsContact C-N 3.33Å; I348-L350 PolarHBondContact O-N 3.1Å; I348-S351 WeakPolarHBondContact O-CB 3.37Å; I348-S351 PolarHBondContact O-N 3.34Å; I348-S351 VanDerWaalsContact O-N 3.13Å; I348-S351 PolarHBondContact O-OG 2.7Å
349	L	89.8	Confident	84.3	Confident	1 Å²	1	21.3 Å²	21.3	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-64	-37	-177.9	-173.9	62.2	0	0	0	112.9	S84 I85 S345 Y346 S351 P352 H912	S84-L349 PolarHBondContact OG-N 3.23Å; I85-L349 HydrophobicContact CD1-CD1 4.29Å; I85-L349 HydrophobicContact CG1-CD1 4.39Å; S345-L349 WeakPolarHBondContact O-CB 3.3Å; S345-L349 PolarHBondContact O-N 3.44Å; Y346-L349 HydrophobicContact CD1-CD2 4.04Å; Y346-L349 HydrophobicContact CE1-CD2 4.08Å; Y346-L349 PolarHBondContact O-N 2.9Å; L349-S351 VanDerWaalsContact C-N 3.35Å; L349-P352 WeakPolarHBondContact O-CD 3.38Å; L349-H912 HydrophobicContact CD2-CB 3.92Å; L349-H912 HydrophobicContact CG-CB 4.11Å
350	L	89.6	Confident	83.8	Confident	4 Å²	4	22.6 Å²	22.6	2%	0.021	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-3.3	177.8	-64	174.9	0	0	0	113	V301 A304 Y346 I348 P352 A353 A909 H912 I913	V301-L350 HydrophobicContact CG1-CB 3.77Å; V301-L350 HydrophobicContact CG1-CD1 4.32Å; V301-L350 HydrophobicContact CG2-CB 4.43Å; A304-L350 HydrophobicContact CB-CD1 4.38Å; Y346-L350 WeakPolarHBondContact O-CB 3.36Å; Y346-L350 WeakPolarHBondContact O-CG 3.42Å; Y346-L350 PolarHBondContact O-N 3.25Å; I348-L350 VanDerWaalsContact C-N 3.33Å; I348-L350 PolarHBondContact O-N 3.1Å; L350-P352 VanDerWaalsContact C-N 3.29Å; L350-A353 WeakPolarHBondContact O-CB 3.48Å; L350-A353 PolarHBondContact O-N 3.04Å; L350-A909 WeakPolarHBondContact CD2-O 3.45Å; L350-H912 HydrophobicContact CD2-CB 4.14Å; L350-I913 HydrophobicContact CD1-CD1 4.24Å; L350-I913 HydrophobicContact CD1-CG1 4.14Å; L350-I913 HydrophobicContact CD2-CD1 4.31Å; L350-I913 HydrophobicContact CD2-CG1 3.78Å
351	S	84.6	Confident	83.5	Confident	10 Å²	10	18 Å²	18	7%	0.07	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-56.9	-28.9	177.5	73.3	0	0	0	0	114.8	I347 I348 L349 A353 M354	I347-S351 PolarHBondContact O-N 3.41Å; I347-S351 VanDerWaalsContact O-N 3.11Å; I348-S351 WeakPolarHBondContact O-CB 3.37Å; I348-S351 PolarHBondContact O-N 3.34Å; I348-S351 VanDerWaalsContact O-N 3.13Å; I348-S351 PolarHBondContact O-OG 2.7Å; L349-S351 VanDerWaalsContact C-N 3.35Å; S351-A353 PolarHBondContact O-N 3.27Å; S351-M354 WeakPolarHBondContact O-CA 3.48Å; S351-M354 VanDerWaalsContact O-CB 3.24Å; S351-M354 WeakPolarHBondContact O-CB 3.27Å; S351-M354 PolarHBondContact O-N 3.27Å
352	P	80.3	Confident	83.3	Confident	21 Å²	21	17.4 Å²	17.4	14%	0.136	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-65.7	-14	172.7	-22.4	35.9	0	0	0	114.4	I85 L349 L350 M354 F908 I932	I85-P352 HydrophobicContact CD1-CG 4.4Å; L349-P352 WeakPolarHBondContact O-CD 3.38Å; L350-P352 VanDerWaalsContact C-N 3.29Å; P352-M354 PolarHBondContact O-N 2.86Å; P352-F908 HydrophobicContact CB-CE1 4.02Å; P352-I932 HydrophobicContact CB-CG2 4.25Å; P352-I932 HydrophobicContact CG-CG2 3.64Å
353	A	79.3	Confident	82.9	Confident	7 Å²	7	18 Å²	18	6%	0.058	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-62.4	-28.2	166.4	0	0	0	0	0	111.1	I297 V301 L350 S351 A909	I297-A353 HydrophobicContact CG2-CB 4.48Å; V301-A353 HydrophobicContact CG2-CB 4.25Å; L350-A353 WeakPolarHBondContact O-CB 3.48Å; L350-A353 PolarHBondContact O-N 3.04Å; S351-A353 PolarHBondContact O-N 3.27Å; A353-A909 HydrophobicContact CB-CB 3.56Å
354	M	75.2	Confident	82.6	Confident	6 Å²	6	17.6 Å²	17.6	3%	0.03	9%	0.091	C	C	.	.	S	Bend	trans	-77.7	122.7	172.8	-73.9	-63.2	98.9	0	0	111.2	Y69 F70 V294 I297 V298 S351 P352 I356	Y69-M354 HydrophobicContact CD1-CB 4.42Å; Y69-M354 HydrophobicContact CD1-CG 4.24Å; Y69-M354 HydrophobicContact CE1-CB 3.7Å; Y69-M354 HydrophobicContact CE1-CG 3.46Å; Y69-M354 VanDerWaalsContact CE1-CG 3.46Å; Y69-M354 HydrophobicContact CE2-CG 4.38Å; Y69-M354 WeakPolarHBondContact OH-CG 3.13Å; F70-M354 HydrophobicContact CE1-CB 3.77Å; F70-M354 HydrophobicContact CZ-CB 3.91Å; V294-M354 HydrophobicContact CG1-SD 3.91Å; I297-M354 HydrophobicContact CB-CE 3.3Å; I297-M354 HydrophobicContact CD1-CE 4.35Å; I297-M354 HydrophobicContact CG1-CE 4.42Å; I297-M354 HydrophobicContact CG2-CE 3.05Å; V298-M354 HydrophobicContact CG2-CE 4.14Å; V298-M354 HydrophobicContact CG2-CG 4.27Å; V298-M354 HydrophobicContact CG2-SD 3.37Å; V298-M354 WeakPolarHBondContact CG2-SD 3.34Å; S351-M354 WeakPolarHBondContact O-CA 3.48Å; S351-M354 VanDerWaalsContact O-CB 3.24Å; S351-M354 WeakPolarHBondContact O-CB 3.27Å; S351-M354 PolarHBondContact O-N 3.27Å; P352-M354 PolarHBondContact O-N 2.86Å; M354-I356 PolarHBondContact O-N 2.88Å
355	P	66.6	Low	82.6	Confident	4 Å²	4	14 Å²	14	3%	0.026	8%	0.078	C	C	.	.			trans	-89.2	78.4	-164.9	38.9	-41.4	0	0	0	111.9	F290 A357 L358 F901	F290-P355 HydrophobicContact CE2-CG 4.33Å; F290-P355 HydrophobicContact CZ-CG 4.11Å; P355-A357 VanDerWaalsContact C-N 3.29Å; P355-A357 PolarHBondContact O-N 2.99Å; P355-L358 HydrophobicContact CB-CB 3.56Å; P355-L358 HydrophobicContact CB-CD2 3.89Å; P355-L358 HydrophobicContact CB-CG 4.38Å; P355-L358 HydrophobicContact CG-CB 4.03Å; P355-L358 HydrophobicContact CG-CD2 3.71Å; P355-L358 HydrophobicContact CG-CG 4.46Å; P355-L358 WeakPolarHBondContact O-CB 3.48Å; P355-L358 PolarHBondContact O-N 2.86Å; P355-L358 VanDerWaalsContact O-N 3.16Å; P355-F901 HydrophobicContact CB-CD1 3.85Å; P355-F901 HydrophobicContact CB-CE1 3.11Å; P355-F901 HydrophobicContact CB-CZ 3.79Å; P355-F901 HydrophobicContact CG-CE1 4.39Å
356	I	72.4	Confident	82.5	Confident	31 Å²	31	13.3 Å²	13.3	16%	0.159	7%	0.073	C	C	.	.	H	α-helix	trans	-53.6	-50.7	173.2	-58.8	169.4	0	0	0	109.9	F70 T90 P93 V97 M354 L358 Y359	F70-I356 HydrophobicContact CD1-CD1 3.5Å; F70-I356 HydrophobicContact CD1-CG1 3.32Å; F70-I356 HydrophobicContact CD2-CD1 4.49Å; F70-I356 HydrophobicContact CD2-CG1 3.73Å; F70-I356 HydrophobicContact CE1-CB 4.31Å; F70-I356 HydrophobicContact CE1-CD1 3.63Å; F70-I356 HydrophobicContact CE1-CG1 3.01Å; F70-I356 HydrophobicContact CE2-CB 4.08Å; F70-I356 HydrophobicContact CE2-CG1 3.45Å; F70-I356 VanDerWaalsContact CE2-CG1 3.45Å; F70-I356 HydrophobicContact CE2-CG2 4.45Å; F70-I356 HydrophobicContact CG-CD1 4Å; F70-I356 HydrophobicContact CG-CG1 3.69Å; F70-I356 HydrophobicContact CZ-CB 3.98Å; F70-I356 HydrophobicContact CZ-CD1 4.2Å; F70-I356 HydrophobicContact CZ-CG1 3.09Å; T90-I356 HydrophobicContact CG2-CD1 4.04Å; P93-I356 HydrophobicContact CB-CG2 4.43Å; V97-I356 HydrophobicContact CG2-CG2 3.67Å; M354-I356 PolarHBondContact O-N 2.88Å; I356-L358 PolarHBondContact O-N 3.25Å; I356-Y359 PolarHBondContact O-N 2.66Å
357	A	72.7	Confident	82.3	Confident	11 Å²	11	15.1 Å²	15.1	9%	0.091	8%	0.084	C	C	.	.	H	α-helix	trans	-64.3	-22.3	-176.4	0	0	0	0	0	112.8	P355 T361 F901	P355-A357 VanDerWaalsContact C-N 3.29Å; P355-A357 PolarHBondContact O-N 2.99Å; A357-T361 VanDerWaalsContact O-CB 3.23Å; A357-T361 WeakPolarHBondContact O-CB 3.12Å; A357-T361 PolarHBondContact O-N 3.49Å; A357-T361 PolarHBondContact O-OG1 2.82Å; A357-F901 HydrophobicContact CB-CE2 4.28Å; A357-F901 HydrophobicContact CB-CZ 4.16Å
358	L	78.8	Confident	82.3	Confident	3 Å²	3	17 Å²	17	2%	0.016	9%	0.093	C	C	.	.	H	α-helix	trans	-65.7	-44.5	179.1	176.7	53.5	0	0	0	111.5	F290 P355 I356 I360 T361 F362 F897 L898 F901	F290-L358 HydrophobicContact CD2-CD2 4.14Å; F290-L358 HydrophobicContact CE1-CD2 4.23Å; F290-L358 HydrophobicContact CE1-CG 4.39Å; F290-L358 HydrophobicContact CE2-CD2 3.16Å; F290-L358 HydrophobicContact CE2-CG 4.14Å; F290-L358 HydrophobicContact CZ-CD2 3.22Å; F290-L358 HydrophobicContact CZ-CG 3.75Å; P355-L358 HydrophobicContact CB-CB 3.56Å; P355-L358 HydrophobicContact CB-CD2 3.89Å; P355-L358 HydrophobicContact CB-CG 4.38Å; P355-L358 HydrophobicContact CG-CB 4.03Å; P355-L358 HydrophobicContact CG-CD2 3.71Å; P355-L358 HydrophobicContact CG-CG 4.46Å; P355-L358 WeakPolarHBondContact O-CB 3.48Å; P355-L358 PolarHBondContact O-N 2.86Å; P355-L358 VanDerWaalsContact O-N 3.16Å; I356-L358 PolarHBondContact O-N 3.25Å; L358-I360 PolarHBondContact O-N 3.05Å; L358-T361 PolarHBondContact O-N 3.12Å; L358-F362 WeakPolarHBondContact O-CB 3.49Å; L358-F362 PolarHBondContact O-N 2.85Å; L358-F897 HydrophobicContact CD1-CD1 4.21Å; L358-F897 HydrophobicContact CD1-CE1 3.19Å; L358-F897 HydrophobicContact CD1-CE2 4.45Å; L358-F897 HydrophobicContact CD1-CZ 3.33Å; L358-L898 HydrophobicContact CD1-CD1 4.43Å; L358-L898 HydrophobicContact CD2-CD1 3.96Å; L358-F901 HydrophobicContact CB-CD1 3.91Å; L358-F901 HydrophobicContact CB-CD2 4.13Å; L358-F901 HydrophobicContact CB-CE1 3.7Å; L358-F901 HydrophobicContact CB-CE2 3.84Å; L358-F901 HydrophobicContact CB-CG 4.16Å; L358-F901 HydrophobicContact CB-CZ 3.63Å; L358-F901 HydrophobicContact CD1-CB 4.18Å; L358-F901 HydrophobicContact CD1-CD1 4.2Å; L358-F901 HydrophobicContact CD1-CD2 3.95Å; L358-F901 HydrophobicContact CD1-CE2 4.47Å; L358-F901 HydrophobicContact CD1-CG 3.8Å; L358-F901 HydrophobicContact CD2-CD1 3.8Å; L358-F901 HydrophobicContact CD2-CE1 4.28Å; L358-F901 HydrophobicContact CD2-CG 4.21Å; L358-F901 HydrophobicContact CG-CD1 4.22Å; L358-F901 HydrophobicContact CG-CE1 4.49Å; L358-F901 HydrophobicContact CG-CG 4.31Å
359	Y	76.8	Confident	82.5	Confident	33 Å²	33	17.1 Å²	17.1	13%	0.129	9%	0.094	C	C	.	.	H	α-helix	trans	-63.4	-40.8	-179.3	-74.4	-82.5	0	0	0	112.3	A66 F290 N291 I356 E363	A66-Y359 HydrophobicContact CB-CD2 4.12Å; A66-Y359 HydrophobicContact CB-CE1 4.46Å; A66-Y359 HydrophobicContact CB-CE2 3.39Å; F290-Y359 HydrophobicContact CD1-CE1 4.1Å; F290-Y359 HydrophobicContact CE1-CD1 4.02Å; F290-Y359 HydrophobicContact CE1-CD2 4.35Å; F290-Y359 AromaticContact CE1-CE1 3.41Å; F290-Y359 HydrophobicContact CE1-CE1 3.41Å; F290-Y359 VanDerWaalsContact CE1-CE1 3.41Å; F290-Y359 AromaticContact CE1-CE2 3.77Å; F290-Y359 HydrophobicContact CE1-CE2 3.77Å; F290-Y359 HydrophobicContact CE1-CG 4.46Å; F290-Y359 AromaticContact CE1-CZ 3.26Å; F290-Y359 WeakPolarHBondContact CE1-OH 3.48Å; F290-Y359 HydrophobicContact CZ-CE1 4.38Å; F290-Y359 AromaticContact CZ-CE2 3.93Å; F290-Y359 HydrophobicContact CZ-CE2 3.93Å; F290-Y359 AromaticContact CZ-CZ 3.86Å; N291-Y359 PolarHBondContact OD1-OH 3.23Å; I356-Y359 PolarHBondContact O-N 2.66Å; Y359-E363 VanDerWaalsContact O-CG 3.3Å; Y359-E363 WeakPolarHBondContact O-CG 3.48Å; Y359-E363 PolarHBondContact O-N 3.47Å; Y359-E363 VanDerWaalsContact O-N 3.17Å
360	I	78.3	Confident	82.5	Confident	37 Å²	37	17.5 Å²	17.5	19%	0.19	10%	0.097	C	C	.	.	H	α-helix	trans	-66.1	-50.7	176.1	-48.2	169.7	0	0	0	110.1	V97 L358 F362 E363 V364	V97-I360 HydrophobicContact CB-CD1 3.92Å; V97-I360 HydrophobicContact CB-CG1 3.81Å; V97-I360 HydrophobicContact CG1-CD1 4.48Å; V97-I360 HydrophobicContact CG1-CG1 3.82Å; V97-I360 HydrophobicContact CG2-CD1 3.11Å; V97-I360 HydrophobicContact CG2-CG1 3.29Å; L358-I360 PolarHBondContact O-N 3.05Å; I360-F362 PolarHBondContact O-N 3.34Å; I360-E363 PolarHBondContact O-N 3.44Å; I360-E363 VanDerWaalsContact O-N 3.12Å; I360-V364 HydrophobicContact CG2-CG2 4.21Å; I360-V364 WeakPolarHBondContact O-CG2 3.28Å; I360-V364 PolarHBondContact O-N 2.81Å
361	T	82.7	Confident	82.6	Confident	13 Å²	13	22.6 Å²	22.6	8%	0.08	12%	0.119	C	C	.	.	H	α-helix	trans	-62.7	-38.7	-174.4	-53.9	0	0	0	0	109.9	A357 L358 V364 I365 F897 M945	A357-T361 VanDerWaalsContact O-CB 3.23Å; A357-T361 WeakPolarHBondContact O-CB 3.12Å; A357-T361 PolarHBondContact O-N 3.49Å; A357-T361 PolarHBondContact O-OG1 2.82Å; L358-T361 PolarHBondContact O-N 3.12Å; T361-V364 PolarHBondContact O-N 3.08Å; T361-I365 HydrophobicContact CG2-CD1 3.84Å; T361-I365 HydrophobicContact CG2-CG1 4.37Å; T361-I365 WeakPolarHBondContact O-CB 3.44Å; T361-I365 WeakPolarHBondContact O-CD1 3.08Å; T361-I365 WeakPolarHBondContact O-CG1 3.4Å; T361-I365 PolarHBondContact O-N 3.03Å; T361-F897 HydrophobicContact CG2-CE2 3.52Å; T361-F897 HydrophobicContact CG2-CZ 3.55Å; T361-M945 HydrophobicContact CG2-CG 3.6Å; T361-M945 HydrophobicContact CG2-SD 4.27Å
362	F	83.2	Confident	83.1	Confident	26 Å²	26	24.7 Å²	24.7	11%	0.114	13%	0.127	C	C	.	.	H	α-helix	trans	-58.2	-50.7	172.6	-170.8	-102.6	0	0	0	112.1	L286 E287 L358 I360 V364 I365 H366 I894 F897	L286-F362 HydrophobicContact CD2-CE2 4.13Å; E287-F362 HydrophobicContact CG-CE1 4.06Å; E287-F362 HydrophobicContact CG-CZ 4.36Å; L358-F362 WeakPolarHBondContact O-CB 3.49Å; L358-F362 PolarHBondContact O-N 2.85Å; I360-F362 PolarHBondContact O-N 3.34Å; F362-V364 VanDerWaalsContact C-N 3.34Å; F362-V364 PolarHBondContact O-N 3.19Å; F362-I365 PolarHBondContact O-N 3.18Å; F362-H366 AromaticContact CD1-CD2 3.47Å; F362-H366 VanDerWaalsContact CD1-CD2 3.47Å; F362-H366 WeakPolarHBondContact CD1-CD2 3.23Å; F362-H366 AromaticContact CD1-NE2 3.68Å; F362-H366 AromaticContact CD2-NE2 3.89Å; F362-H366 AromaticContact CE1-CD2 3.36Å; F362-H366 WeakPolarHBondContact CE1-CD2 3.38Å; F362-H366 AromaticContact CE1-NE2 3.13Å; F362-H366 WeakPolarHBondContact CE1-NE2 3.49Å; F362-H366 AromaticContact CE2-NE2 3.38Å; F362-H366 WeakPolarHBondContact CE2-NE2 3.33Å; F362-H366 AromaticContact CG-CD2 3.9Å; F362-H366 AromaticContact CZ-CD2 3.7Å; F362-H366 AromaticContact CZ-NE2 2.96Å; F362-H366 WeakPolarHBondContact CZ-NE2 3.47Å; F362-H366 WeakPolarHBondContact O-CB 3.44Å; F362-H366 PolarHBondContact O-CD2 3.15Å; F362-H366 PolarHBondContact O-N 3.2Å; F362-I894 HydrophobicContact CD2-CG2 4.23Å; F362-I894 HydrophobicContact CE2-CG2 3.6Å; F362-F897 HydrophobicContact CB-CE1 4.39Å; F362-F897 HydrophobicContact CD2-CE1 4.39Å
363	E	82	Confident	83.8	Confident	23 Å²	23	23.8 Å²	23.8	11%	0.107	12%	0.121	C	C	.	.	H	α-helix	trans	-63	-37.1	177.7	-69.7	-83.7	-178	0	0	112.9	R64 R101 K104 Y359 I360 T367	R64-E363 IonicContact CZ-OE1 3.79Å; R64-E363 IonicContact NH1-OE1 3.87Å; R64-E363 PolarHBondContact NH1-OE1 2.92Å; R64-E363 IonicContact NH2-OE1 3.68Å; R64-E363 PolarHBondContact NH2-OE1 2.97Å; R101-E363 IonicContact NE-OE1 2.82Å; K104-E363 IonicContact NZ-OE2 2.71Å; K104-E363 PolarHBondContact NZ-OE2 3.43Å; Y359-E363 VanDerWaalsContact O-CG 3.3Å; Y359-E363 WeakPolarHBondContact O-CG 3.48Å; Y359-E363 PolarHBondContact O-N 3.47Å; Y359-E363 VanDerWaalsContact O-N 3.17Å; I360-E363 PolarHBondContact O-N 3.44Å; I360-E363 VanDerWaalsContact O-N 3.12Å; E363-T367 WeakPolarHBondContact O-CB 3.08Å; E363-T367 PolarHBondContact O-N 3.24Å; E363-T367 PolarHBondContact O-OG1 3.18Å
364	V	86.9	Confident	84.4	Confident	45 Å²	45	24.5 Å²	24.5	27%	0.273	13%	0.129	S	C	.	.	H	α-helix	trans	-66.6	-46.1	175.5	172	0	0	0	0	110.8	I360 T361 F362 H366 T367 I368 F949	I360-V364 HydrophobicContact CG2-CG2 4.21Å; I360-V364 WeakPolarHBondContact O-CG2 3.28Å; I360-V364 PolarHBondContact O-N 2.81Å; T361-V364 PolarHBondContact O-N 3.08Å; F362-V364 VanDerWaalsContact C-N 3.34Å; F362-V364 PolarHBondContact O-N 3.19Å; V364-H366 VanDerWaalsContact C-N 3.34Å; V364-H366 PolarHBondContact O-N 3.15Å; V364-T367 PolarHBondContact O-N 3.47Å; V364-I368 HydrophobicContact CG1-CD1 3.82Å; V364-I368 WeakPolarHBondContact O-CG1 3.36Å; V364-I368 PolarHBondContact O-N 2.73Å; V364-F949 HydrophobicContact CG1-CZ 4.06Å
365	I	89.9	Confident	85.3	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-56	-49.9	174.9	-69.9	161.3	0	0	0	110.4	T361 F362 T367 I368 H369 I894 F897 A948 F949	T361-I365 HydrophobicContact CG2-CD1 3.84Å; T361-I365 HydrophobicContact CG2-CG1 4.37Å; T361-I365 WeakPolarHBondContact O-CB 3.44Å; T361-I365 WeakPolarHBondContact O-CD1 3.08Å; T361-I365 WeakPolarHBondContact O-CG1 3.4Å; T361-I365 PolarHBondContact O-N 3.03Å; F362-I365 PolarHBondContact O-N 3.18Å; I365-T367 VanDerWaalsContact C-N 3.34Å; I365-T367 PolarHBondContact O-N 3Å; I365-I368 PolarHBondContact O-N 3.29Å; I365-H369 WeakPolarHBondContact CG2-CE1 3.45Å; I365-H369 WeakPolarHBondContact CG2-NE2 3.37Å; I365-H369 WeakPolarHBondContact O-CB 3.34Å; I365-H369 PolarHBondContact O-CD2 2.79Å; I365-H369 VanDerWaalsContact O-CG 3.3Å; I365-H369 PolarHBondContact O-N 3.03Å; I365-I894 HydrophobicContact CG2-CD1 4.33Å; I365-I894 HydrophobicContact CG2-CG1 3.9Å; I365-F897 HydrophobicContact CD1-CB 4.49Å; I365-F897 HydrophobicContact CD1-CD1 3.69Å; I365-F897 HydrophobicContact CD1-CD2 3.81Å; I365-F897 HydrophobicContact CD1-CE1 3.74Å; I365-F897 HydrophobicContact CD1-CE2 3.91Å; I365-F897 HydrophobicContact CD1-CG 3.72Å; I365-F897 HydrophobicContact CD1-CZ 3.88Å; I365-A948 HydrophobicContact CD1-CB 3.43Å; I365-A948 VanDerWaalsContact CD1-CB 3.43Å; I365-A948 HydrophobicContact CG1-CB 3.73Å; I365-A948 HydrophobicContact CG2-CB 4.38Å; I365-F949 HydrophobicContact CB-CE1 4.24Å; I365-F949 HydrophobicContact CG1-CD1 4.2Å; I365-F949 HydrophobicContact CG1-CE1 3.63Å
366	H	89.2	Confident	86.6	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-57.7	-44.7	176.9	-86.2	-53.6	0	0	0	113.3	F362 V364 I368 H369 S370 T393 S396 E397 I894	F362-H366 AromaticContact CD1-CD2 3.47Å; F362-H366 VanDerWaalsContact CD1-CD2 3.47Å; F362-H366 WeakPolarHBondContact CD1-CD2 3.23Å; F362-H366 AromaticContact CD1-NE2 3.68Å; F362-H366 AromaticContact CD2-NE2 3.89Å; F362-H366 AromaticContact CE1-CD2 3.36Å; F362-H366 WeakPolarHBondContact CE1-CD2 3.38Å; F362-H366 AromaticContact CE1-NE2 3.13Å; F362-H366 WeakPolarHBondContact CE1-NE2 3.49Å; F362-H366 AromaticContact CE2-NE2 3.38Å; F362-H366 WeakPolarHBondContact CE2-NE2 3.33Å; F362-H366 AromaticContact CG-CD2 3.9Å; F362-H366 AromaticContact CZ-CD2 3.7Å; F362-H366 AromaticContact CZ-NE2 2.96Å; F362-H366 WeakPolarHBondContact CZ-NE2 3.47Å; F362-H366 WeakPolarHBondContact O-CB 3.44Å; F362-H366 PolarHBondContact O-CD2 3.15Å; F362-H366 PolarHBondContact O-N 3.2Å; V364-H366 VanDerWaalsContact C-N 3.34Å; V364-H366 PolarHBondContact O-N 3.15Å; H366-I368 VanDerWaalsContact C-N 3.33Å; H366-I368 PolarHBondContact O-N 3.03Å; H366-H369 PolarHBondContact O-N 2.85Å; H366-S370 WeakPolarHBondContact O-CB 3.29Å; H366-S370 PolarHBondContact O-N 3.2Å; H366-S370 PolarHBondContact O-OG 3.27Å; H366-T393 VanDerWaalsContact CB-O 3.29Å; H366-T393 WeakPolarHBondContact CB-O 3.35Å; H366-S396 PolarHBondContact ND1-OG 3.11Å; H366-E397 VanDerWaalsContact CE1-CD 3.49Å; H366-E397 IonicContact CE1-OE1 2.91Å; H366-E397 IonicContact CE1-OE2 3.84Å; H366-E397 PolarHBondContact CE1-OE2 3.05Å; H366-E397 IonicContact ND1-OE2 3.84Å; H366-E397 IonicContact NE2-OE1 3.05Å; H366-E397 IonicContact NE2-OE2 3.91Å; H366-I894 WeakPolarHBondContact CE1-CD1 3.35Å
367	T	88.3	Confident	87.7	Confident	38 Å²	38	39 Å²	39	23%	0.233	19%	0.193	C	C	.	.	H	α-helix	trans	-64.2	-39.4	179.5	-54.8	0	0	0	0	111.5	E363 V364 I365 K371	E363-T367 WeakPolarHBondContact O-CB 3.08Å; E363-T367 PolarHBondContact O-N 3.24Å; E363-T367 PolarHBondContact O-OG1 3.18Å; V364-T367 PolarHBondContact O-N 3.47Å; I365-T367 VanDerWaalsContact C-N 3.34Å; I365-T367 PolarHBondContact O-N 3Å; T367-K371 WeakPolarHBondContact O-CG 3.38Å; T367-K371 PolarHBondContact O-N 3Å; T367-K371 VanDerWaalsContact O-N 3.1Å
368	I	91.8	Very high	88.6	Confident	43 Å²	43	43.9 Å²	43.9	22%	0.221	21%	0.214	C	C	.	.	H	α-helix	trans	-72.1	-42.7	177.6	-71.3	167.2	0	0	0	111.2	V364 I365 H366 S370 K371 F372 F949	V364-I368 HydrophobicContact CG1-CD1 3.82Å; V364-I368 WeakPolarHBondContact O-CG1 3.36Å; V364-I368 PolarHBondContact O-N 2.73Å; I365-I368 PolarHBondContact O-N 3.29Å; H366-I368 VanDerWaalsContact C-N 3.33Å; H366-I368 PolarHBondContact O-N 3.03Å; I368-S370 VanDerWaalsContact C-N 3.28Å; I368-S370 PolarHBondContact O-N 3.26Å; I368-K371 WeakPolarHBondContact O-CB 3.32Å; I368-K371 PolarHBondContact O-N 3.31Å; I368-K371 VanDerWaalsContact O-N 3.1Å; I368-F372 HydrophobicContact CG2-CD1 4.47Å; I368-F372 HydrophobicContact CG2-CD2 4.11Å; I368-F372 HydrophobicContact CG2-CE1 4.01Å; I368-F372 HydrophobicContact CG2-CE2 3.62Å; I368-F372 HydrophobicContact CG2-CZ 3.57Å; I368-F372 WeakPolarHBondContact O-CG 3.42Å; I368-F372 PolarHBondContact O-N 2.93Å; I368-F949 HydrophobicContact CB-CD1 4.32Å; I368-F949 HydrophobicContact CB-CE1 4.3Å; I368-F949 HydrophobicContact CD1-CD1 4.1Å; I368-F949 HydrophobicContact CD1-CD2 4.15Å; I368-F949 HydrophobicContact CD1-CE1 3.51Å; I368-F949 HydrophobicContact CD1-CE2 3.55Å; I368-F949 HydrophobicContact CD1-CG 4.43Å; I368-F949 HydrophobicContact CD1-CZ 3.21Å; I368-F949 HydrophobicContact CG1-CE1 4.47Å; I368-F949 HydrophobicContact CG2-CD1 4.06Å; I368-F949 HydrophobicContact CG2-CE1 4.48Å; I368-F949 HydrophobicContact CG2-CG 4.21Å
369	H	93.4	Very high	89.3	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.009	21%	0.213	C	C	.	.	H	α-helix	trans	-58.9	-41.3	174	-70.2	-177.7	0	0	0	111.5	I365 H366 K371 F372 I373 A948	I365-H369 WeakPolarHBondContact CG2-CE1 3.45Å; I365-H369 WeakPolarHBondContact CG2-NE2 3.37Å; I365-H369 WeakPolarHBondContact O-CB 3.34Å; I365-H369 PolarHBondContact O-CD2 2.79Å; I365-H369 VanDerWaalsContact O-CG 3.3Å; I365-H369 PolarHBondContact O-N 3.03Å; H366-H369 PolarHBondContact O-N 2.85Å; H369-K371 VanDerWaalsContact C-N 3.33Å; H369-K371 PolarHBondContact O-N 2.87Å; H369-F372 PolarHBondContact O-N 3.39Å; H369-I373 WeakPolarHBondContact O-CG1 3.24Å; H369-I373 PolarHBondContact O-N 2.81Å; H369-I373 VanDerWaalsContact O-N 3.1Å; H369-A948 PolarHBondContact NE2-O 3.37Å
370	S	90.9	Very high	90.1	Very high	9 Å²	9	45.8 Å²	45.8	6%	0.063	22%	0.221	C	C	.	.	H	α-helix	trans	-60.8	-40.3	174.3	-60.1	0	0	0	0	112.3	H366 I368 I373 G374 T393	H366-S370 WeakPolarHBondContact O-CB 3.29Å; H366-S370 PolarHBondContact O-N 3.2Å; H366-S370 PolarHBondContact O-OG 3.27Å; I368-S370 VanDerWaalsContact C-N 3.28Å; I368-S370 PolarHBondContact O-N 3.26Å; S370-I373 PolarHBondContact O-N 3.08Å; S370-G374 PolarHBondContact O-N 3.42Å; S370-T393 VanDerWaalsContact OG-CA 3.24Å; S370-T393 WeakPolarHBondContact OG-CA 3.48Å; S370-T393 PolarHBondContact OG-O 2.8Å
371	K	91.3	Very high	90.7	Very high	112 Å²	112	45.1 Å²	45.1	49%	0.487	22%	0.216	S	C	.	.	H	α-helix	trans	-68.1	-38.9	174.5	-74	-178.6	178.5	-175.7	0	112.4	T367 I368 H369 I373 G374 W375	T367-K371 WeakPolarHBondContact O-CG 3.38Å; T367-K371 PolarHBondContact O-N 3Å; T367-K371 VanDerWaalsContact O-N 3.1Å; I368-K371 WeakPolarHBondContact O-CB 3.32Å; I368-K371 PolarHBondContact O-N 3.31Å; I368-K371 VanDerWaalsContact O-N 3.1Å; H369-K371 VanDerWaalsContact C-N 3.33Å; H369-K371 PolarHBondContact O-N 2.87Å; K371-I373 VanDerWaalsContact C-N 3.27Å; K371-I373 PolarHBondContact O-N 2.88Å; K371-G374 CarbonylContact O-C 3.59Å; K371-G374 PolarHBondContact O-N 3.28Å; K371-G374 VanDerWaalsContact O-N 3.08Å; K371-W375 HydrophobicContact CB-CD2 4.44Å; K371-W375 HydrophobicContact CB-CH2 4.4Å; K371-W375 HydrophobicContact CB-CZ2 4.29Å; K371-W375 HydrophobicContact CD-CH2 4.28Å; K371-W375 HydrophobicContact CD-CZ2 4.16Å; K371-W375 VanDerWaalsContact O-CG 3.31Å; K371-W375 PolarHBondContact O-N 2.87Å
372	F	94.6	Very high	91	Very high	53 Å²	53	53 Å²	53	23%	0.232	25%	0.249	C	C	.	.	H	α-helix	trans	-61.8	-35	176.1	-70.8	-21.5	0	0	0	112.9	I368 H369 G374 W375 D376 F949 F950	I368-F372 HydrophobicContact CG2-CD1 4.47Å; I368-F372 HydrophobicContact CG2-CD2 4.11Å; I368-F372 HydrophobicContact CG2-CE1 4.01Å; I368-F372 HydrophobicContact CG2-CE2 3.62Å; I368-F372 HydrophobicContact CG2-CZ 3.57Å; I368-F372 WeakPolarHBondContact O-CG 3.42Å; I368-F372 PolarHBondContact O-N 2.93Å; H369-F372 PolarHBondContact O-N 3.39Å; F372-G374 VanDerWaalsContact C-N 3.34Å; F372-W375 AromaticContact CD1-CE3 3.93Å; F372-W375 HydrophobicContact CD1-CE3 3.93Å; F372-W375 HydrophobicContact CD1-CZ3 4.22Å; F372-W375 HydrophobicContact CE1-CE3 4.28Å; F372-W375 HydrophobicContact CE1-CZ3 4.18Å; F372-W375 PolarHBondContact O-N 3.23Å; F372-D376 PolarHBondContact O-N 3.49Å; F372-F949 HydrophobicContact CE2-CB 4.36Å; F372-F950 HydrophobicContact CZ-CE1 4.05Å
373	I	94.6	Very high	91.1	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-61.6	-44.7	172.2	-68.5	167.4	0	0	0	110.2	H369 S370 K371 D376 M379 A388 L399 F871 L882 H886	H369-I373 WeakPolarHBondContact O-CG1 3.24Å; H369-I373 PolarHBondContact O-N 2.81Å; H369-I373 VanDerWaalsContact O-N 3.1Å; S370-I373 PolarHBondContact O-N 3.08Å; K371-I373 VanDerWaalsContact C-N 3.27Å; K371-I373 PolarHBondContact O-N 2.88Å; I373-D376 PolarHBondContact O-N 3.37Å; I373-M379 HydrophobicContact CB-CE 4.44Å; I373-M379 HydrophobicContact CG2-CE 3.88Å; I373-M379 WeakPolarHBondContact O-CE 3.47Å; I373-A388 HydrophobicContact CG2-CB 4.24Å; I373-L399 HydrophobicContact CD1-CD1 4.29Å; I373-F871 HydrophobicContact CD1-CD1 4.43Å; I373-F871 HydrophobicContact CD1-CE1 3.89Å; I373-L882 HydrophobicContact CD1-CD1 4.09Å; I373-L882 HydrophobicContact CG1-CD1 4.35Å; I373-L882 HydrophobicContact CG2-CD1 3.92Å; I373-H886 HydrophobicContact CD1-CB 4.44Å; I373-H886 HydrophobicContact CG1-CB 4Å
374	G	91.9	Very high	91.1	Very high	23 Å²	23	61.3 Å²	61.3	24%	0.237	29%	0.293	C	S	.	.	H	α-helix	trans	-77	-18	-179.5	0	0	0	0	0	115.9	S370 K371 F372 A388	S370-G374 PolarHBondContact O-N 3.42Å; K371-G374 CarbonylContact O-C 3.59Å; K371-G374 PolarHBondContact O-N 3.28Å; K371-G374 VanDerWaalsContact O-N 3.08Å; F372-G374 VanDerWaalsContact C-N 3.34Å; G374-A388 WeakPolarHBondContact CA-O 3.25Å
375	W	94.6	Very high	91.1	Very high	179 Å²	179	64.9 Å²	64.9	68%	0.678	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-0.8	174.5	-65.7	-18	0	0	0	113.7	K371 F372 L377	K371-W375 HydrophobicContact CB-CD2 4.44Å; K371-W375 HydrophobicContact CB-CH2 4.4Å; K371-W375 HydrophobicContact CB-CZ2 4.29Å; K371-W375 HydrophobicContact CD-CH2 4.28Å; K371-W375 HydrophobicContact CD-CZ2 4.16Å; K371-W375 VanDerWaalsContact O-CG 3.31Å; K371-W375 PolarHBondContact O-N 2.87Å; F372-W375 AromaticContact CD1-CE3 3.93Å; F372-W375 HydrophobicContact CD1-CE3 3.93Å; F372-W375 HydrophobicContact CD1-CZ3 4.22Å; F372-W375 HydrophobicContact CE1-CE3 4.28Å; F372-W375 HydrophobicContact CE1-CZ3 4.18Å; F372-W375 PolarHBondContact O-N 3.23Å; W375-L377 PolarHBondContact O-N 3.42Å
376	D	95.3	Very high	90.9	Very high	21 Å²	21	69.9 Å²	69.9	11%	0.112	33%	0.332	C	S	.	.			trans	-79.2	108.4	-179.6	-165.5	-7.7	0	0	0	111.6	F372 I373 E378 M379 Y380 R881 H886	F372-D376 PolarHBondContact O-N 3.49Å; I373-D376 PolarHBondContact O-N 3.37Å; D376-E378 PolarHBondContact O-N 2.8Å; D376-E378 PolarHBondContact OD1-N 2.6Å; D376-M379 HydrophobicContact CB-CB 4.47Å; D376-M379 HydrophobicContact CB-CE 3.69Å; D376-M379 PolarHBondContact O-N 3.05Å; D376-Y380 PolarHBondContact O-N 2.83Å; D376-R881 IonicContact OD1-CZ 3.08Å; D376-R881 IonicContact OD1-NE 3.9Å; D376-R881 PolarHBondContact OD1-NE 2.99Å; D376-R881 IonicContact OD1-NH2 3.88Å; D376-R881 PolarHBondContact OD1-NH2 2.82Å; D376-R881 VanDerWaalsContact OD1-NH2 3.09Å; D376-R881 IonicContact OD2-CZ 3.17Å; D376-R881 IonicContact OD2-NE 3.89Å; D376-R881 PolarHBondContact OD2-NE 3.07Å; D376-R881 IonicContact OD2-NH2 2.67Å; D376-R881 PolarHBondContact OD2-NH2 3.26Å; D376-H886 IonicContact OD2-CD2 3.99Å; D376-H886 IonicContact OD2-CE1 3.3Å; D376-H886 IonicContact OD2-NE2 3.37Å; D376-H886 PolarHBondContact OD2-NE2 2.98Å
377	L	93.9	Very high	91	Very high	145 Å²	145	72.2 Å²	72.2	76%	0.759	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-63	-25.7	179.7	-67	174.3	0	0	0	113	W375 M379 Y380	W375-L377 PolarHBondContact O-N 3.42Å; L377-M379 PolarHBondContact O-N 2.89Å; L377-Y380 WeakPolarHBondContact O-CB 3.26Å; L377-Y380 PolarHBondContact O-N 3.02Å
378	E	93.1	Very high	91.2	Very high	114 Å²	114	70.5 Å²	70.5	53%	0.533	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-74.6	-14.8	176.4	-72	-174.7	-126.2	0	0	112.9	D376 F878 R881	D376-E378 PolarHBondContact O-N 2.8Å; D376-E378 PolarHBondContact OD1-N 2.6Å; E378-F878 WeakPolarHBondContact O-CD1 3.46Å; E378-F878 WeakPolarHBondContact O-CE1 3.07Å; E378-R881 IonicContact OE1-CZ 3.5Å; E378-R881 IonicContact OE1-NH1 2.93Å; E378-R881 PolarHBondContact OE1-NH1 3.23Å; E378-R881 IonicContact OE1-NH2 3.7Å; E378-R881 PolarHBondContact OE1-NH2 3.25Å; E378-R881 IonicContact OE2-CZ 2.63Å; E378-R881 IonicContact OE2-NE 3.95Å; E378-R881 IonicContact OE2-NH1 3.93Å; E378-R881 PolarHBondContact OE2-NH1 3.37Å; E378-R881 IonicContact OE2-NH2 2.66Å
379	M	93.4	Very high	91.1	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-105.8	17	172.6	-60	-168.8	-62.5	0	0	112.2	I373 D376 L377 A388 F878 R881 L882 H886	I373-M379 HydrophobicContact CB-CE 4.44Å; I373-M379 HydrophobicContact CG2-CE 3.88Å; I373-M379 WeakPolarHBondContact O-CE 3.47Å; D376-M379 HydrophobicContact CB-CB 4.47Å; D376-M379 HydrophobicContact CB-CE 3.69Å; D376-M379 PolarHBondContact O-N 3.05Å; L377-M379 PolarHBondContact O-N 2.89Å; M379-A388 HydrophobicContact CB-CB 3.97Å; M379-A388 HydrophobicContact CE-CB 4.43Å; M379-A388 PolarHBondContact O-N 2.76Å; M379-F878 HydrophobicContact CB-CB 4.41Å; M379-F878 HydrophobicContact CB-CD1 4.36Å; M379-F878 HydrophobicContact CB-CG 4.29Å; M379-F878 HydrophobicContact CG-CB 4.2Å; M379-F878 HydrophobicContact CG-CD1 4.34Å; M379-F878 HydrophobicContact CG-CG 4.42Å; M379-R881 HydrophobicContact CG-CB 4.27Å; M379-R881 HydrophobicContact CG-CG 4.25Å; M379-R881 HydrophobicContact SD-CB 4.13Å; M379-R881 HydrophobicContact SD-CG 4.18Å; M379-L882 HydrophobicContact SD-CB 4.15Å; M379-H886 WeakPolarHBondContact CE-CD2 3.31Å; M379-H886 WeakPolarHBondContact CE-NE2 3.36Å
380	Y	93.1	Very high	90.9	Very high	75 Å²	75	73.7 Å²	73.7	29%	0.294	36%	0.355	S	S	.	.			trans	-96.8	132.8	174.9	169.8	-99.7	0	0	0	110.9	D376 L377 K382 D385 P387	D376-Y380 PolarHBondContact O-N 2.83Å; L377-Y380 WeakPolarHBondContact O-CB 3.26Å; L377-Y380 PolarHBondContact O-N 3.02Å; Y380-K382 HydrophobicContact CE1-CB 4.23Å; Y380-D385 PolarHBondContact OH-OD1 3.46Å; Y380-P387 HydrophobicContact CD2-CB 4.19Å
381	W	90.5	Very high	90.6	Very high	23 Å²	23	78.3 Å²	78.3	9%	0.087	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-104.5	107.7	179.4	-174.3	-118.2	0	0	0	111.9	Q383 T384 D385 K386 S874 Q875 F878	W381-Q383 VanDerWaalsContact C-N 3.31Å; W381-Q383 HydrophobicContact CZ2-CB 4.3Å; W381-Q383 HydrophobicContact CZ2-CG 3.88Å; W381-Q383 PolarHBondContact O-N 3.06Å; W381-T384 VanDerWaalsContact CD1-OG1 3.3Å; W381-T384 PolarHBondContact O-N 3.01Å; W381-D385 PolarHBondContact O-N 2.69Å; W381-D385 VanDerWaalsContact O-N 3.12Å; W381-K386 PolarHBondContact N-O 3.43Å; W381-K386 VanDerWaalsContact N-O 3.08Å; W381-K386 PolarHBondContact O-N 3.46Å; W381-S874 WeakPolarHBondContact CB-OG 3.12Å; W381-Q875 HydrophobicContact CD2-CG 3.9Å; W381-Q875 HydrophobicContact CE3-CG 3.84Å; W381-Q875 HydrophobicContact CG-CG 4.49Å; W381-Q875 HydrophobicContact CH2-CG 4.21Å; W381-Q875 HydrophobicContact CZ2-CG 4.25Å; W381-Q875 HydrophobicContact CZ3-CG 4Å; W381-F878 HydrophobicContact CB-CE2 4.19Å; W381-F878 HydrophobicContact CB-CZ 4.47Å; W381-F878 HydrophobicContact CE3-CZ 4.15Å
382	K	88.8	Confident	90.3	Very high	180 Å²	180	74.7 Å²	74.7	78%	0.783	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-32.1	-175.4	-171.8	178.7	179	-178.3	0	114	Y380	Y380-K382 HydrophobicContact CE1-CB 4.23Å
383	Q	85.7	Confident	89.7	Confident	158 Å²	158	73.7 Å²	73.7	74%	0.738	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-30.1	-173.9	-57.3	179.1	-3.3	0	0	113.3	W381	W381-Q383 VanDerWaalsContact C-N 3.31Å; W381-Q383 HydrophobicContact CZ2-CB 4.3Å; W381-Q383 HydrophobicContact CZ2-CG 3.88Å; W381-Q383 PolarHBondContact O-N 3.06Å
384	T	81.9	Confident	89.1	Confident	65 Å²	65	74.4 Å²	74.4	40%	0.399	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	4.9	178.9	67.7	0	0	0	0	113.5	W381 K386	W381-T384 VanDerWaalsContact CD1-OG1 3.3Å; W381-T384 PolarHBondContact O-N 3.01Å; T384-K386 VanDerWaalsContact C-N 3.3Å; T384-K386 WeakPolarHBondContact O-CG 3.49Å; T384-K386 PolarHBondContact O-N 3.08Å
385	D	87.8	Confident	89	Confident	119 Å²	119	73.4 Å²	73.4	64%	0.636	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	48.8	-177.6	-169.2	15.7	0	0	0	112.4	Y380 W381	Y380-D385 PolarHBondContact OH-OD1 3.46Å; W381-D385 PolarHBondContact O-N 2.69Å; W381-D385 VanDerWaalsContact O-N 3.12Å
386	K	84.9	Confident	88.8	Confident	105 Å²	105	64.9 Å²	64.9	46%	0.457	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-127.5	119.9	-178.3	-75.2	179	-174.7	179.5	0	111.5	W381 T384 A858	W381-K386 PolarHBondContact N-O 3.43Å; W381-K386 VanDerWaalsContact N-O 3.08Å; W381-K386 PolarHBondContact O-N 3.46Å; T384-K386 VanDerWaalsContact C-N 3.3Å; T384-K386 WeakPolarHBondContact O-CG 3.49Å; T384-K386 PolarHBondContact O-N 3.08Å; K386-A858 HydrophobicContact CD-CB 4.26Å
387	P	91.7	Very high	88.6	Confident	50 Å²	50	63.9 Å²	63.9	33%	0.325	31%	0.312	S	S	.	.			trans	-76.1	167.5	168.3	33.1	-34	0	0	0	111	Y380	Y380-P387 HydrophobicContact CD2-CB 4.19Å
388	A	91.9	Very high	88.5	Confident	2 Å²	2	57.2 Å²	57.2	2%	0.017	28%	0.277	C	S	.	.			trans	-65.9	138.5	163.5	0	0	0	0	0	109.9	I373 G374 M379 A872 V873	I373-A388 HydrophobicContact CG2-CB 4.24Å; G374-A388 WeakPolarHBondContact CA-O 3.25Å; M379-A388 HydrophobicContact CB-CB 3.97Å; M379-A388 HydrophobicContact CE-CB 4.43Å; M379-A388 PolarHBondContact O-N 2.76Å; A388-A872 CarbonylContact C-O 3.55Å; A388-A872 VanDerWaalsContact CA-O 3.3Å; A388-A872 WeakPolarHBondContact CA-O 3.3Å; A388-V873 HydrophobicContact CB-CG1 4.37Å
389	E	89.9	Confident	88.6	Confident	92 Å²	92	51.8 Å²	51.8	43%	0.43	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.3	179.4	-63.2	-175.8	166.8	0	0	111.1	R391 F871 A872	E389-R391 PolarHBondContact O-N 3.38Å; E389-R391 IonicContact OE2-NH1 2.78Å; E389-F871 CarbonylContact O-C 3.55Å; E389-F871 WeakPolarHBondContact O-CA 3.42Å; E389-A872 HydrophobicContact CB-CB 4.22Å; E389-A872 PolarHBondContact N-O 3.01Å; E389-A872 PolarHBondContact O-N 2.93Å
390	A	89.8	Confident	88.5	Confident	21 Å²	21	51.8 Å²	51.8	17%	0.174	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	95	168.5	0	0	0	0	0	109.3	F871	A390-F871 HydrophobicContact CB-CD1 3.77Å; A390-F871 HydrophobicContact CB-CE1 3.73Å
391	R	84.3	Confident	88.6	Confident	106 Å²	106	48.6 Å²	48.6	40%	0.4	24%	0.239	S	C	.	.	S	Bend	trans	-75.4	-36.7	-179.9	-61.4	-178.4	77.6	97.9	-5	111.5	E389 V866 D870	E389-R391 PolarHBondContact O-N 3.38Å; E389-R391 IonicContact OE2-NH1 2.78Å; R391-V866 WeakPolarHBondContact CD-O 3.5Å; R391-V866 PolarHBondContact NE-O 3.38Å; R391-D870 WeakPolarHBondContact CA-O 3.4Å; R391-D870 PolarHBondContact N-O 3.24Å
392	N	83.6	Confident	88.8	Confident	35 Å²	35	47.5 Å²	47.5	19%	0.187	24%	0.235	C	C	.	.	S	Bend	trans	-99.7	109.3	171.4	-170.1	-9.3	0	0	0	110.2	S394 L395 D870	N392-S394 VanDerWaalsContact C-N 3.32Å; N392-S394 PolarHBondContact O-N 3.26Å; N392-S394 PolarHBondContact OD1-N 2.75Å; N392-S394 PolarHBondContact OD1-OG 2.87Å; N392-S394 VanDerWaalsContact OD1-OG 3.14Å; N392-L395 HydrophobicContact CB-CD1 4.36Å; N392-L395 VanDerWaalsContact ND2-CD1 3.3Å; N392-L395 WeakPolarHBondContact ND2-CD1 3.43Å; N392-D870 HydrophobicContact CB-CB 3.78Å; N392-D870 WeakPolarHBondContact CB-OD1 3.24Å; N392-D870 PolarHBondContact N-O 2.85Å; N392-D870 PolarHBondContact ND2-OD1 3.28Å
393	T	82	Confident	89	Confident	33 Å²	33	39.2 Å²	39.2	20%	0.202	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-73.4	-21.2	-172.4	56.7	0	0	0	0	114.5	K104 H366 S370	K104-T393 WeakPolarHBondContact CE-OG1 3.5Å; K104-T393 PolarHBondContact NZ-OG1 2.82Å; H366-T393 VanDerWaalsContact CB-O 3.29Å; H366-T393 WeakPolarHBondContact CB-O 3.35Å; S370-T393 VanDerWaalsContact OG-CA 3.24Å; S370-T393 WeakPolarHBondContact OG-CA 3.48Å; S370-T393 PolarHBondContact OG-O 2.8Å
394	S	83.4	Confident	89.4	Confident	16 Å²	16	32 Å²	32	11%	0.112	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-91.8	-0.1	-167.1	64.4	0	0	0	0	114.7	T284 N392	T284-S394 WeakPolarHBondContact CG2-O 3.36Å; N392-S394 VanDerWaalsContact C-N 3.32Å; N392-S394 PolarHBondContact O-N 3.26Å; N392-S394 PolarHBondContact OD1-N 2.75Å; N392-S394 PolarHBondContact OD1-OG 2.87Å; N392-S394 VanDerWaalsContact OD1-OG 3.14Å
395	L	89.1	Confident	90.1	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-105.9	10.5	-171.9	-58.8	-176.5	0	0	0	114	K282 T284 N392 E397 E398 D870 F871	K282-L395 HydrophobicContact CB-CD1 4.26Å; K282-L395 HydrophobicContact CB-CD2 4.2Å; K282-L395 HydrophobicContact CD-CD1 4.14Å; T284-L395 HydrophobicContact CG2-CD2 3.59Å; N392-L395 HydrophobicContact CB-CD1 4.36Å; N392-L395 VanDerWaalsContact ND2-CD1 3.3Å; N392-L395 WeakPolarHBondContact ND2-CD1 3.43Å; L395-E397 VanDerWaalsContact C-N 3.27Å; L395-E397 PolarHBondContact O-N 2.88Å; L395-E398 PolarHBondContact O-N 3.16Å; L395-D870 HydrophobicContact CD1-CB 3.86Å; L395-D870 WeakPolarHBondContact CD1-OD1 3.4Å; L395-F871 HydrophobicContact CB-CE2 4.12Å; L395-F871 HydrophobicContact CB-CZ 4.24Å
396	S	90.4	Very high	90.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-29.9	-171.7	58.3	0	0	0	0	113.5	H366 S890	H366-S396 PolarHBondContact ND1-OG 3.11Å; S396-S890 WeakPolarHBondContact O-CB 3.46Å
397	E	90.8	Very high	90.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-30.2	177.3	80.1	-77.7	-148.9	0	0	113.7	T284 L286 H366 L395 L399 G400 I894	T284-E397 WeakPolarHBondContact CB-OE1 3.37Å; T284-E397 VanDerWaalsContact CG2-OE1 3.23Å; T284-E397 WeakPolarHBondContact CG2-OE1 3.43Å; T284-E397 PolarHBondContact OG1-OE1 3.05Å; L286-E397 HydrophobicContact CB-CG 4.49Å; L286-E397 HydrophobicContact CD2-CG 4.38Å; H366-E397 VanDerWaalsContact CE1-CD 3.49Å; H366-E397 IonicContact CE1-OE1 2.91Å; H366-E397 IonicContact CE1-OE2 3.84Å; H366-E397 PolarHBondContact CE1-OE2 3.05Å; H366-E397 IonicContact ND1-OE2 3.84Å; H366-E397 IonicContact NE2-OE1 3.05Å; H366-E397 IonicContact NE2-OE2 3.91Å; L395-E397 VanDerWaalsContact C-N 3.27Å; L395-E397 PolarHBondContact O-N 2.88Å; E397-L399 PolarHBondContact O-N 3.16Å; E397-G400 PolarHBondContact O-N 3.22Å; E397-I894 HydrophobicContact CB-CD1 3.72Å
398	E	92.4	Very high	90.8	Very high	5 Å²	5	16.3 Å²	16.3	2%	0.023	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-65.5	-29.8	178.1	-70.1	-69.3	166.6	0	0	110.9	T284 Q285 L395 G400 Q401 V402 I834 I853	T284-E398 WeakPolarHBondContact CA-OE1 3.38Å; T284-E398 VanDerWaalsContact CB-OE1 3.29Å; T284-E398 WeakPolarHBondContact CB-OE1 3.31Å; T284-E398 HydrophobicContact CG2-CG 3.73Å; Q285-E398 PolarHBondContact N-OE1 2.91Å; L395-E398 PolarHBondContact O-N 3.16Å; E398-G400 PolarHBondContact O-N 2.76Å; E398-G400 VanDerWaalsContact O-N 3.12Å; E398-Q401 PolarHBondContact O-N 3.4Å; E398-V402 PolarHBondContact O-N 3.32Å; E398-I834 WeakPolarHBondContact OE2-CD1 3.1Å; E398-I834 WeakPolarHBondContact OE2-CG1 3.45Å; E398-I853 VanDerWaalsContact C-CD1 3.41Å; E398-I853 HydrophobicContact CB-CD1 3.62Å; E398-I853 HydrophobicContact CB-CG1 4.05Å
399	L	94.5	Very high	90.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-58	-22.2	171.9	-69.7	174.1	0	0	0	112.8	I373 E397 Q401 I853 F871 L882 L883 G887 Y966	I373-L399 HydrophobicContact CD1-CD1 4.29Å; E397-L399 PolarHBondContact O-N 3.16Å; L399-Q401 VanDerWaalsContact C-N 3.34Å; L399-I853 HydrophobicContact CD2-CD1 3.9Å; L399-I853 HydrophobicContact CD2-CG2 3.98Å; L399-I853 HydrophobicContact CG-CD1 4.23Å; L399-F871 HydrophobicContact CD1-CD1 4.38Å; L399-F871 HydrophobicContact CD1-CE1 3.77Å; L399-F871 HydrophobicContact CD1-CE2 3.91Å; L399-F871 HydrophobicContact CD1-CZ 3.51Å; L399-F871 HydrophobicContact CD2-CD2 4.16Å; L399-F871 HydrophobicContact CD2-CE2 3.88Å; L399-F871 HydrophobicContact CD2-CZ 4.35Å; L399-F871 HydrophobicContact CG-CE2 3.91Å; L399-F871 HydrophobicContact CG-CZ 3.93Å; L399-L882 HydrophobicContact CD1-CD1 3.8Å; L399-L882 HydrophobicContact CD1-CG 4.09Å; L399-L882 HydrophobicContact CD2-CD2 4.43Å; L399-L882 HydrophobicContact CD2-CG 4.36Å; L399-L883 HydrophobicContact CB-CD2 4.15Å; L399-L883 HydrophobicContact CD2-CD2 3.77Å; L399-L883 VanDerWaalsContact O-CD2 3.27Å; L399-L883 WeakPolarHBondContact O-CD2 3.3Å; L399-G887 VanDerWaalsContact CB-CA 3.48Å; L399-Y966 PolarHBondContact O-OH 3.25Å
400	G	92.8	Very high	90.4	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.01	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-86.6	-1	175.2	0	0	0	0	0	114.4	E397 E398 G887 G969	E397-G400 PolarHBondContact O-N 3.22Å; E398-G400 PolarHBondContact O-N 2.76Å; E398-G400 VanDerWaalsContact O-N 3.12Å; G400-G887 WeakPolarHBondContact CA-O 3.39Å; G400-G887 PolarHBondContact N-O 2.66Å; G400-G969 WeakPolarHBondContact O-CA 3.35Å
401	Q	93.3	Very high	89.9	Confident	7 Å²	7	12.5 Å²	12.5	3%	0.033	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-0.4	-172.8	-60.8	-173.6	2.9	0	0	113.6	E398 L399 G403 I834 Y891 Y966	E398-Q401 PolarHBondContact O-N 3.4Å; L399-Q401 VanDerWaalsContact C-N 3.34Å; Q401-G403 PolarHBondContact O-N 3.04Å; Q401-I834 HydrophobicContact CB-CB 4.44Å; Q401-I834 HydrophobicContact CB-CG1 3.78Å; Q401-Y891 HydrophobicContact CG-CD2 3.99Å; Q401-Y891 HydrophobicContact CG-CE2 4.22Å; Q401-Y891 HydrophobicContact CG-CG 4.45Å; Q401-Y966 PolarHBondContact N-OH 2.9Å
402	V	95.4	Very high	90.1	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	124.4	-179.6	-179.1	0	0	0	0	110.6	E398 Y404 I684 I834 M836 I853 L883 Y966 Q970	E398-V402 PolarHBondContact O-N 3.32Å; V402-Y404 WeakPolarHBondContact CG1-O 3.18Å; V402-I684 HydrophobicContact CG1-CG2 4.47Å; V402-I834 HydrophobicContact CG2-CG2 4.16Å; V402-M836 HydrophobicContact CB-CB 4.47Å; V402-M836 HydrophobicContact CG1-CB 3.53Å; V402-M836 HydrophobicContact CG2-CB 4.05Å; V402-M836 HydrophobicContact CG2-SD 4.42Å; V402-I853 HydrophobicContact CG2-CD1 3.74Å; V402-L883 HydrophobicContact CB-CD2 4.37Å; V402-L883 HydrophobicContact CG2-CD2 3.85Å; V402-Y966 WeakPolarHBondContact CB-OH 3.32Å; V402-Y966 PolarHBondContact N-OH 2.89Å; V402-Y966 WeakPolarHBondContact O-CE1 3.48Å; V402-Y966 PolarHBondContact O-OH 3.36Å; V402-Q970 PolarHBondContact O-NE2 3.15Å
403	G	93	Very high	90.5	Very high	7 Å²	7	5.9 Å²	5.9	7%	0.072	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-30	175.1	0	0	0	0	0	113.5	Q401 R685 I834	Q401-G403 PolarHBondContact O-N 3.04Å; G403-R685 PolarHBondContact O-N 2.87Å; G403-I834 PolarHBondContact N-O 2.97Å
404	Y	94.6	Very high	90.8	Very high	6 Å²	6	4.3 Å²	4.3	2%	0.024	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.3	177.9	-71.2	-89.8	0	0	0	110.1	V402 R685 W687 V827 T831 I834 M836	V402-Y404 WeakPolarHBondContact CG1-O 3.18Å; Y404-R685 WeakPolarHBondContact CA-O 3.38Å; Y404-R685 HydrophobicContact CD1-CB 3.76Å; Y404-R685 HydrophobicContact CE1-CB 3.9Å; Y404-R685 VanDerWaalsContact CE1-CD 3.48Å; Y404-R685 HydrophobicContact CE1-CG 4.32Å; Y404-R685 PolarHBondContact OH-NH1 3.22Å; Y404-W687 HydrophobicContact CD1-CZ2 4.32Å; Y404-W687 AromaticContact CD1-NE1 3.92Å; Y404-W687 AromaticContact CE1-CZ2 3.97Å; Y404-W687 HydrophobicContact CE1-CZ2 3.97Å; Y404-W687 AromaticContact CE1-NE1 3.96Å; Y404-V827 HydrophobicContact CD1-CG1 4.37Å; Y404-V827 HydrophobicContact CD2-CG1 4.1Å; Y404-V827 HydrophobicContact CE2-CG1 4.46Å; Y404-V827 HydrophobicContact CG-CG1 4.06Å; Y404-T831 HydrophobicContact CE2-CG2 3.9Å; Y404-I834 PolarHBondContact N-O 2.71Å; Y404-M836 PolarHBondContact O-N 3.48Å
405	L	95.8	Very high	90.9	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	116.1	170.8	177	64.7	0	0	0	108.9	L679 I684 R685 V686 W687 M836 I838 F876 L879	L405-L679 HydrophobicContact CD2-CD1 3.83Å; L405-I684 HydrophobicContact CB-CG2 3.88Å; L405-R685 PolarHBondContact N-O 3.5Å; L405-V686 HydrophobicContact CB-CG2 4.38Å; L405-V686 HydrophobicContact CD2-CG1 4.28Å; L405-V686 HydrophobicContact CD2-CG2 4.19Å; L405-V686 CarbonylContact O-C 3.48Å; L405-V686 WeakPolarHBondContact O-CA 3.22Å; L405-W687 PolarHBondContact O-N 2.95Å; L405-M836 CarbonylContact C-O 3.52Å; L405-M836 WeakPolarHBondContact CA-O 3.44Å; L405-M836 HydrophobicContact CD1-CB 4.24Å; L405-M836 HydrophobicContact CD1-CE 3.85Å; L405-M836 HydrophobicContact CD1-CG 3.89Å; L405-M836 HydrophobicContact CD1-SD 4.04Å; L405-I838 HydrophobicContact CD1-CG2 3.93Å; L405-F876 HydrophobicContact CD2-CZ 4.19Å; L405-L879 HydrophobicContact CD1-CD2 3.99Å; L405-L879 HydrophobicContact CD2-CD2 3.55Å; L405-L879 HydrophobicContact CG-CD2 4.44Å
406	L	95.4	Very high	90.3	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	104.6	176.1	-56.8	171.2	0	0	0	107.8	W687 L689 V824 M836 S837 I838	L406-W687 HydrophobicContact CD2-CB 3.68Å; L406-W687 HydrophobicContact CD2-CD2 3.92Å; L406-W687 HydrophobicContact CD2-CE3 3.71Å; L406-W687 HydrophobicContact CD2-CG 3.95Å; L406-L689 HydrophobicContact CB-CD1 4.16Å; L406-L689 HydrophobicContact CD2-CD1 4.42Å; L406-V824 HydrophobicContact CD1-CB 3.92Å; L406-V824 HydrophobicContact CD1-CG1 4Å; L406-V824 HydrophobicContact CD1-CG2 3.42Å; L406-V824 VanDerWaalsContact CD1-CG2 3.42Å; L406-M836 PolarHBondContact N-O 2.78Å; L406-S837 CarbonylContact O-C 3.54Å; L406-S837 WeakPolarHBondContact O-CA 3.29Å; L406-I838 PolarHBondContact O-N 3.25Å
407	S	94.1	Very high	89.9	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	141.9	-176.4	-169.6	0	0	0	0	111.3	T412 W687 V688 L689 I838	S407-T412 WeakPolarHBondContact OG-CG2 3.44Å; S407-W687 PolarHBondContact N-O 3.32Å; S407-V688 CarbonylContact O-C 3.55Å; S407-V688 VanDerWaalsContact O-CA 3.32Å; S407-V688 WeakPolarHBondContact O-CA 3.22Å; S407-L689 PolarHBondContact O-N 2.93Å; S407-I838 WeakPolarHBondContact OG-CG2 3.37Å
408	D	91.4	Very high	89.7	Confident	9 Å²	9	14 Å²	14	5%	0.048	7%	0.069	C	C	.	.			trans	-72.8	161.7	157.5	-169.3	50.5	0	0	0	111.2	T410 T412 L413 K820 I838 D844	D408-T410 PolarHBondContact OD2-N 3.41Å; D408-T412 WeakPolarHBondContact O-CB 3.44Å; D408-L413 WeakPolarHBondContact O-CG 3.42Å; D408-K820 VanDerWaalsContact CG-NZ 3.35Å; D408-K820 IonicContact OD1-NZ 3.1Å; D408-K820 PolarHBondContact OD1-NZ 3.27Å; D408-I838 PolarHBondContact N-O 3.1Å; D408-D844 WeakPolarHBondContact CB-OD2 3.4Å
409	K	88.6	Confident	89.5	Confident	5 Å²	5	14.3 Å²	14.3	2%	0.022	7%	0.07	C	C	.	.	S	Bend	trans	-93.4	-53.7	178.1	-172.9	-120.4	69.7	169.3	0	112	L413 T414 D666 V688 D692 T696 I700	K409-L413 PolarHBondContact O-N 2.96Å; K409-L413 VanDerWaalsContact O-N 3.11Å; K409-T414 PolarHBondContact O-N 2.84Å; K409-D666 IonicContact NZ-OD2 3.1Å; K409-V688 HydrophobicContact CB-CG1 3.88Å; K409-D692 VanDerWaalsContact CD-OD2 3.28Å; K409-D692 WeakPolarHBondContact CD-OD2 3.49Å; K409-D692 WeakPolarHBondContact CE-OD2 3.4Å; K409-D692 IonicContact NZ-OD2 2.77Å; K409-D692 PolarHBondContact NZ-OD2 3.24Å; K409-T696 HydrophobicContact CD-CG2 4.48Å; K409-I700 HydrophobicContact CD-CG1 4.04Å; K409-I700 HydrophobicContact CG-CB 4.27Å; K409-I700 HydrophobicContact CG-CG1 4.26Å; K409-I700 HydrophobicContact CG-CG2 3.91Å
410	T	83.1	Confident	89.3	Confident	24 Å²	24	14.7 Å²	14.7	15%	0.147	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	132.7	-169.9	-60.9	0	0	0	0	108.4	D408 T412 D692 D840	D408-T410 PolarHBondContact OD2-N 3.41Å; T410-T412 PolarHBondContact O-N 2.85Å; T410-D692 PolarHBondContact OG1-OD2 3.48Å; T410-D840 VanDerWaalsContact O-OD1 3.1Å
411	G	80.3	Confident	89	Confident	6 Å²	6	17.5 Å²	17.5	6%	0.062	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	-17	177.5	0	0	0	0	0	115.6	T414 Q669 D840	G411-T414 CarbonylContact C-O 3.5Å; G411-T414 VanDerWaalsContact C-O 3.26Å; G411-T414 VanDerWaalsContact CA-O 3.22Å; G411-T414 WeakPolarHBondContact CA-O 3.08Å; G411-T414 PolarHBondContact N-O 3.14Å; G411-T414 PolarHBondContact N-OG1 3.16Å; G411-Q669 PolarHBondContact O-NE2 3.36Å; G411-D840 VanDerWaalsContact C-OD2 3.28Å; G411-D840 WeakPolarHBondContact CA-OD2 3.44Å
412	T	88.9	Confident	88.8	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-57.7	173.1	-60.8	0	0	0	0	112.9	S407 D408 T410 Q669 I838 G839 D840 L857 F876	S407-T412 WeakPolarHBondContact OG-CG2 3.44Å; D408-T412 WeakPolarHBondContact O-CB 3.44Å; T410-T412 PolarHBondContact O-N 2.85Å; T412-Q669 PolarHBondContact O-NE2 3Å; T412-Q669 VanDerWaalsContact O-NE2 3.13Å; T412-I838 HydrophobicContact CG2-CD1 4.32Å; T412-I838 HydrophobicContact CG2-CG1 3.95Å; T412-I838 HydrophobicContact CG2-CG2 4.04Å; T412-G839 WeakPolarHBondContact OG1-CA 3.44Å; T412-D840 PolarHBondContact OG1-N 2.74Å; T412-D840 PolarHBondContact OG1-OD1 2.98Å; T412-L857 HydrophobicContact CG2-CD1 4.4Å; T412-F876 HydrophobicContact CG2-CD2 4Å; T412-F876 HydrophobicContact CG2-CE2 4.44Å
413	L	91.1	Very high	88.6	Confident	2 Å²	2	18.1 Å²	18.1	1%	0.01	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-35	174.8	-64.6	177	0	0	0	111.2	D408 K409 L668 Q669 V672 I676 V688 I700 F876	D408-L413 WeakPolarHBondContact O-CG 3.42Å; K409-L413 PolarHBondContact O-N 2.96Å; K409-L413 VanDerWaalsContact O-N 3.11Å; L413-L668 CarbonylContact O-C 3.43Å; L413-L668 WeakPolarHBondContact O-CA 3.38Å; L413-Q669 PolarHBondContact O-N 3.47Å; L413-V672 HydrophobicContact CD2-CG1 3.78Å; L413-I676 HydrophobicContact CD2-CD1 4.06Å; L413-V688 HydrophobicContact CD1-CG1 4.29Å; L413-V688 HydrophobicContact CD1-CG2 3.97Å; L413-I700 HydrophobicContact CD1-CG2 4.37Å; L413-F876 HydrophobicContact CD2-CD1 4.46Å; L413-F876 HydrophobicContact CD2-CD2 3.91Å; L413-F876 HydrophobicContact CD2-CE1 4.2Å; L413-F876 HydrophobicContact CD2-CE2 3.61Å; L413-F876 HydrophobicContact CD2-CG 4.33Å; L413-F876 HydrophobicContact CD2-CZ 3.77Å
414	T	89.1	Confident	88.6	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	156.4	177.6	74.7	0	0	0	0	111.2	K409 G411 N416 D666 R667 L668 I700	K409-T414 PolarHBondContact O-N 2.84Å; G411-T414 CarbonylContact C-O 3.5Å; G411-T414 VanDerWaalsContact C-O 3.26Å; G411-T414 VanDerWaalsContact CA-O 3.22Å; G411-T414 WeakPolarHBondContact CA-O 3.08Å; G411-T414 PolarHBondContact N-O 3.14Å; G411-T414 PolarHBondContact N-OG1 3.16Å; T414-N416 PolarHBondContact O-N 2.56Å; T414-N416 PolarHBondContact OG1-N 3.16Å; T414-D666 WeakPolarHBondContact CB-OD1 3.39Å; T414-R667 CarbonylContact C-O 3.5Å; T414-R667 WeakPolarHBondContact CA-O 3.44Å; T414-L668 HydrophobicContact CG2-CD2 4.15Å; T414-I700 HydrophobicContact CG2-CD1 3.76Å; T414-I700 HydrophobicContact CG2-CG1 4.22Å
415	Q	84.3	Confident	88.5	Confident	68 Å²	68	17.6 Å²	17.6	32%	0.318	8%	0.082	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	3.5	172.8	-63.2	179.8	10	0	0	112.3	R417 R667 L668 Q669	Q415-R417 HydrophobicContact CB-CB 4.4Å; Q415-R417 PolarHBondContact O-N 3.04Å; Q415-R667 PolarHBondContact N-O 3.02Å; Q415-R667 VanDerWaalsContact OE1-NH1 3.1Å; Q415-L668 WeakPolarHBondContact CG-O 3.11Å; Q415-L668 PolarHBondContact NE2-O 3.31Å; Q415-Q669 HydrophobicContact CG-CB 4.43Å; Q415-Q669 HydrophobicContact CG-CG 4.04Å
416	N	78.2	Confident	88.1	Confident	45 Å²	45	18.6 Å²	18.6	24%	0.241	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	49.6	38.7	-168.3	-157.7	11.5	0	0	0	112.3	T414 E861	T414-N416 PolarHBondContact O-N 2.56Å; T414-N416 PolarHBondContact OG1-N 3.16Å; N416-E861 PolarHBondContact ND2-OE1 2.95Å
417	R	81.9	Confident	87.5	Confident	98 Å²	98	19.5 Å²	19.5	37%	0.37	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	114.3	178.5	-175.8	177.7	178.8	175.3	0.3	109.5	Q415 L419 R667	Q415-R417 HydrophobicContact CB-CB 4.4Å; Q415-R417 PolarHBondContact O-N 3.04Å; R417-L419 HydrophobicContact CG-CD2 4.38Å; R417-R667 WeakPolarHBondContact O-CB 3.19Å; R417-R667 PolarHBondContact O-N 3.23Å
418	L	86	Confident	87.3	Confident	12 Å²	12	25.1 Å²	25.1	6%	0.063	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	141.9	175.6	-61.1	-175.6	0	0	0	110.1	P510 D511 T514 I664 E665 D666	L418-P510 HydrophobicContact CD1-CB 3.84Å; L418-P510 HydrophobicContact CD1-CG 3.8Å; L418-P510 HydrophobicContact CG-CB 4.33Å; L418-D511 HydrophobicContact CD1-CB 4.19Å; L418-D511 WeakPolarHBondContact CD1-OD1 3.36Å; L418-T514 HydrophobicContact CB-CG2 4.41Å; L418-T514 WeakPolarHBondContact CB-OG1 3.4Å; L418-T514 PolarHBondContact O-OG1 3.35Å; L418-I664 HydrophobicContact CB-CG2 3.78Å; L418-I664 HydrophobicContact CD1-CG2 4.45Å; L418-I664 HydrophobicContact CD2-CG2 4.44Å; L418-I664 HydrophobicContact CG-CG2 4.45Å; L418-E665 WeakPolarHBondContact CA-O 3.32Å; L418-D666 HydrophobicContact CD2-CB 3.62Å
419	L	88.1	Confident	87.2	Confident	10 Å²	10	28.2 Å²	28.2	5%	0.052	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	128.1	179.8	-65.9	175.1	0	0	0	110	R417 R421 I664 E665	R417-L419 HydrophobicContact CG-CD2 4.38Å; L419-R421 PolarHBondContact O-N 3.3Å; L419-I664 CarbonylContact O-C 3.54Å; L419-I664 WeakPolarHBondContact O-CA 3.33Å; L419-E665 PolarHBondContact N-O 3.34Å; L419-E665 PolarHBondContact O-N 2.77Å
420	L	89.4	Confident	87.1	Confident	8 Å²	8	28.4 Å²	28.4	4%	0.042	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	117.8	167.8	-173.6	72.6	0	0	0	108.8	L462 T514 L515 A518 T662 I664	L420-L462 HydrophobicContact CB-CD1 4.28Å; L420-L462 HydrophobicContact CD2-CD1 4.38Å; L420-T514 HydrophobicContact CB-CG2 4.26Å; L420-L515 HydrophobicContact CD1-CD2 4.28Å; L420-A518 HydrophobicContact CB-CB 4.03Å; L420-A518 HydrophobicContact CD2-CB 3.42Å; L420-A518 VanDerWaalsContact CD2-CB 3.42Å; L420-A518 HydrophobicContact CG-CB 4.36Å; L420-T662 HydrophobicContact CD1-CG2 4.37Å; L420-I664 HydrophobicContact CD1-CG1 4.11Å
421	R	86.8	Confident	86.9	Confident	60 Å²	60	27.8 Å²	27.8	23%	0.226	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-43	-177.7	-74.7	-56.8	-165.3	141.6	24.1	113.4	L419 R463 M464 A663 E665	L419-R421 PolarHBondContact O-N 3.3Å; R421-R463 PolarHBondContact NH1-O 3.49Å; R421-M464 WeakPolarHBondContact O-CG 3.49Å; R421-A663 PolarHBondContact N-O 3.35Å; R421-E665 HydrophobicContact CG-CB 3.64Å; R421-E665 WeakPolarHBondContact CG-OE2 3.43Å; R421-E665 IonicContact CZ-OE2 2.82Å; R421-E665 IonicContact NE-OE2 3.46Å; R421-E665 PolarHBondContact NE-OE2 2.9Å; R421-E665 IonicContact NH2-OE1 2.61Å; R421-E665 IonicContact NH2-OE2 3.64Å; R421-E665 PolarHBondContact NH2-OE2 2.8Å
422	Q	90.3	Very high	86.3	Confident	18 Å²	18	35.6 Å²	35.6	8%	0.084	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	157.2	-177.8	-60.8	-179.8	-60.7	0	0	109.4	Y430 G431 F603 L608 A663	Q422-Y430 VanDerWaalsContact CA-O 3.3Å; Q422-Y430 WeakPolarHBondContact CA-O 3.49Å; Q422-Y430 WeakPolarHBondContact CB-O 3.46Å; Q422-G431 PolarHBondContact NE2-O 2.89Å; Q422-F603 HydrophobicContact CB-CD1 4.29Å; Q422-F603 HydrophobicContact CB-CE1 3.6Å; Q422-F603 HydrophobicContact CB-CZ 3.97Å; Q422-F603 HydrophobicContact CG-CE1 4.35Å; Q422-L608 HydrophobicContact CB-CD1 4.49Å; Q422-L608 HydrophobicContact CG-CD1 4.41Å; Q422-L608 VanDerWaalsContact OE1-CD1 3.26Å; Q422-A663 HydrophobicContact CB-CB 4.05Å; Q422-A663 PolarHBondContact N-O 3.28Å; Q422-A663 WeakPolarHBondContact O-CA 3.35Å; Q422-A663 VanDerWaalsContact O-CB 3.31Å; Q422-A663 WeakPolarHBondContact O-CB 3.11Å; Q422-A663 PolarHBondContact O-N 2.95Å
423	C	91.3	Very high	84.8	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.02	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	147.5	168.3	59.7	0	0	0	0	109.4	Y430 F484 V661	C423-Y430 PolarHBondContact N-O 2.97Å; C423-Y430 VanDerWaalsContact N-O 3.11Å; C423-Y430 PolarHBondContact O-N 2.94Å; C423-F484 HydrophobicContact CB-CZ 4.4Å; C423-V661 CarbonylContact C-O 3.54Å; C423-V661 WeakPolarHBondContact CA-O 3.28Å; C423-V661 WeakPolarHBondContact CB-O 3.31Å
424	C	92.3	Very high	83.1	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.4	170.7	-176.5	0	0	0	0	108.3	Q428 I429 A599 F603 G660 V661	C424-Q428 CarbonylContact C-O 3.58Å; C424-Q428 VanDerWaalsContact CA-O 3.25Å; C424-Q428 WeakPolarHBondContact CA-O 3.4Å; C424-I429 HydrophobicContact CB-CG1 4.31Å; C424-A599 HydrophobicContact CB-CB 3.76Å; C424-F603 HydrophobicContact CB-CE2 4.11Å; C424-F603 HydrophobicContact CB-CZ 4.24Å; C424-G660 CarbonylContact O-C 3.1Å; C424-G660 WeakPolarHBondContact O-CA 3.41Å; C424-V661 HydrophobicContact CB-CB 4.41Å; C424-V661 PolarHBondContact N-O 2.69Å; C424-V661 PolarHBondContact O-N 3.01Å
425	I	91.9	Very high	80.9	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128.3	179.8	-52.4	173.4	0	0	0	107.7	G427 Q428 Y430 L469 V480 T481 F484	I425-G427 PolarHBondContact O-N 3.22Å; I425-Q428 PolarHBondContact N-O 3.48Å; I425-Q428 PolarHBondContact O-N 2.77Å; I425-Y430 HydrophobicContact CB-CD2 4.33Å; I425-Y430 HydrophobicContact CB-CE2 3.94Å; I425-Y430 HydrophobicContact CD1-CD2 4.4Å; I425-Y430 HydrophobicContact CD1-CE2 4.49Å; I425-Y430 HydrophobicContact CG1-CD2 4.32Å; I425-Y430 HydrophobicContact CG1-CE2 4.39Å; I425-L469 HydrophobicContact CD1-CD1 4.26Å; I425-V480 HydrophobicContact CG2-CG1 4.45Å; I425-T481 HydrophobicContact CD1-CG2 4.21Å; I425-T481 HydrophobicContact CG2-CG2 4.42Å; I425-F484 HydrophobicContact CD1-CD1 3.54Å; I425-F484 HydrophobicContact CD1-CE1 3.72Å; I425-F484 HydrophobicContact CD1-CG 4.22Å; I425-F484 HydrophobicContact CG1-CD1 3.83Å; I425-F484 HydrophobicContact CG1-CD2 4.48Å; I425-F484 HydrophobicContact CG1-CE1 3.83Å; I425-F484 HydrophobicContact CG1-CE2 4.48Å; I425-F484 HydrophobicContact CG1-CG 4.14Å; I425-F484 HydrophobicContact CG1-CZ 4.15Å; I425-F484 HydrophobicContact CG2-CB 4.24Å; I425-F484 HydrophobicContact CG2-CG 4.38Å
426	A	87.6	Confident	78.9	Confident	20 Å²	20	55.8 Å²	55.8	17%	0.165	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	38.4	-176.6	0	0	0	0	0	113.6	Q428 V480 H592 L659	A426-Q428 VanDerWaalsContact C-N 3.28Å; A426-Q428 PolarHBondContact O-N 2.86Å; A426-V480 HydrophobicContact CB-CB 4.28Å; A426-V480 HydrophobicContact CB-CG1 4.04Å; A426-H592 PolarHBondContact O-ND1 3.45Å; A426-L659 PolarHBondContact N-O 3.25Å
427	G	84	Confident	77	Confident	19 Å²	19	59.7 Å²	59.7	20%	0.196	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	1.3	-179.4	0	0	0	0	0	115.9	I425	I425-G427 PolarHBondContact O-N 3.22Å
428	Q	88.4	Confident	75	Confident	118 Å²	118	56.7 Å²	56.7	55%	0.551	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	129.4	175.6	-65.6	-174.4	-2.5	0	0	111.2	C424 I425 A426 Y430	C424-Q428 CarbonylContact C-O 3.58Å; C424-Q428 VanDerWaalsContact CA-O 3.25Å; C424-Q428 WeakPolarHBondContact CA-O 3.4Å; I425-Q428 PolarHBondContact N-O 3.48Å; I425-Q428 PolarHBondContact O-N 2.77Å; A426-Q428 VanDerWaalsContact C-N 3.28Å; A426-Q428 PolarHBondContact O-N 2.86Å; Q428-Y430 HydrophobicContact CB-CE2 3.88Å; Q428-Y430 VanDerWaalsContact O-CD2 3.28Å; Q428-Y430 WeakPolarHBondContact O-CD2 3.44Å; Q428-Y430 WeakPolarHBondContact O-CE2 3.47Å; Q428-Y430 PolarHBondContact OE1-OH 3.07Å; Q428-Y430 VanDerWaalsContact OE1-OH 3.05Å
429	I	88.9	Confident	72.3	Confident	74 Å²	74	60.7 Å²	60.7	38%	0.379	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	125.5	177	-59.2	173.9	0	0	0	109.4	C424 A599 L602 F603	C424-I429 HydrophobicContact CB-CG1 4.31Å; I429-A599 HydrophobicContact CD1-CB 3.75Å; I429-A599 HydrophobicContact CG1-CB 3.83Å; I429-L602 HydrophobicContact CD1-CD1 3.91Å; I429-F603 HydrophobicContact CG2-CE1 3.97Å; I429-F603 HydrophobicContact CG2-CZ 4.03Å
430	Y	87	Confident	69.7	Low	10 Å²	10	64.4 Å²	64.4	4%	0.039	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140.9	174	-60.6	-85.8	0	0	0	109.5	Q422 C423 I425 Q428 M464 S466 L469	Q422-Y430 VanDerWaalsContact CA-O 3.3Å; Q422-Y430 WeakPolarHBondContact CA-O 3.49Å; Q422-Y430 WeakPolarHBondContact CB-O 3.46Å; C423-Y430 PolarHBondContact N-O 2.97Å; C423-Y430 VanDerWaalsContact N-O 3.11Å; C423-Y430 PolarHBondContact O-N 2.94Å; I425-Y430 HydrophobicContact CB-CD2 4.33Å; I425-Y430 HydrophobicContact CB-CE2 3.94Å; I425-Y430 HydrophobicContact CD1-CD2 4.4Å; I425-Y430 HydrophobicContact CD1-CE2 4.49Å; I425-Y430 HydrophobicContact CG1-CD2 4.32Å; I425-Y430 HydrophobicContact CG1-CE2 4.39Å; Q428-Y430 HydrophobicContact CB-CE2 3.88Å; Q428-Y430 VanDerWaalsContact O-CD2 3.28Å; Q428-Y430 WeakPolarHBondContact O-CD2 3.44Å; Q428-Y430 WeakPolarHBondContact O-CE2 3.47Å; Q428-Y430 PolarHBondContact OE1-OH 3.07Å; Q428-Y430 VanDerWaalsContact OE1-OH 3.05Å; Y430-M464 WeakPolarHBondContact O-CE 3.46Å; Y430-S466 WeakPolarHBondContact CD1-OG 3.35Å; Y430-L469 HydrophobicContact CD1-CB 3.68Å; Y430-L469 HydrophobicContact CD1-CD1 3.97Å; Y430-L469 HydrophobicContact CD1-CG 4.32Å; Y430-L469 HydrophobicContact CD2-CD1 4.27Å; Y430-L469 HydrophobicContact CE1-CB 4.07Å; Y430-L469 HydrophobicContact CE1-CD1 3.96Å; Y430-L469 HydrophobicContact CE2-CD1 4.3Å; Y430-L469 HydrophobicContact CG-CB 4.3Å; Y430-L469 HydrophobicContact CG-CD1 4.11Å
431	G	78.6	Confident	66.8	Low	10 Å²	10	68.3 Å²	68.3	10%	0.103	39%	0.393	C	S	.	.	S	Bend	trans	93.1	133.5	-176.4	0	0	0	0	0	113	Q422 F465	Q422-G431 PolarHBondContact NE2-O 2.89Å; G431-F465 WeakPolarHBondContact CA-O 3.21Å
432	K	69.2	Low	64.2	Low	170 Å²	170	75.2 Å²	75.2	74%	0.739	43%	0.427	S	S	*	.			trans	-96.3	135.1	170.6	-74.5	-175.3	177.2	-178.8	0	110.9
433	Y	57.4	Low	61.5	Low	100 Å²	100	78.5 Å²	78.5	39%	0.392	46%	0.458	S	S	.	.			trans	-99.7	106.9	169	-168.5	-97.1	0	0	0	107.8	E435 A606 L608	Y433-E435 HydrophobicContact CD1-CG 4.16Å; Y433-E435 HydrophobicContact CE1-CG 4.41Å; Y433-E435 PolarHBondContact O-N 3.11Å; Y433-A606 HydrophobicContact CD1-CB 4.14Å; Y433-A606 HydrophobicContact CD2-CB 4.46Å; Y433-A606 HydrophobicContact CE1-CB 4.14Å; Y433-A606 HydrophobicContact CE2-CB 4.48Å; Y433-A606 HydrophobicContact CG-CB 4.3Å; Y433-L608 HydrophobicContact CD2-CD1 4.49Å; Y433-L608 HydrophobicContact CE2-CD2 4.22Å
434	D	54.7	Low	58.8	Low	124 Å²	124	83.1 Å²	83.1	66%	0.663	50%	0.496	S	S	*	.			trans	-79.4	111.9	172.1	-88.1	-25.9	0	0	0	108.9	L436	D434-L436 PolarHBondContact O-N 2.8Å; D434-L436 VanDerWaalsContact O-N 3.14Å
435	E	43.5	Very low	56	Low	170 Å²	170	89.6 Å²	89.6	79%	0.794	53%	0.531	S	S	*	.			trans	-67	-4.3	174.9	-69.7	-176.7	143.1	0	0	113.7	Y433 C437	Y433-E435 HydrophobicContact CD1-CG 4.16Å; Y433-E435 HydrophobicContact CE1-CG 4.41Å; Y433-E435 PolarHBondContact O-N 3.11Å; E435-C437 PolarHBondContact O-N 2.91Å
436	L	40.5	Very low	53.6	Low	100 Å²	100	99.9 Å²	99.9	52%	0.524	57%	0.571	S	S	.	*			trans	-101.1	36.5	-160.7	-95.7	141.1	0	0	0	116.1	D434 G438 T439	D434-L436 PolarHBondContact O-N 2.8Å; D434-L436 VanDerWaalsContact O-N 3.14Å; L436-G438 PolarHBondContact O-N 3.35Å; L436-T439 WeakPolarHBondContact CD2-OG1 3.49Å
437	C	39.5	Very low	51.8	Low	127 Å²	127	102.5 Å²	102.5	86%	0.858	59%	0.588	S	S	*	*	S	Bend	trans	-81	5.9	159.2	-80.9	0	0	0	0	113.3	E435	E435-C437 PolarHBondContact O-N 2.91Å
438	G	38.5	Very low	50.4	Low	36 Å²	36	107 Å²	107	37%	0.371	61%	0.611	S	S	.	*	S	Bend	trans	-106.4	-15.5	-176.2	0	0	0	0	0	117.4	L436	L436-G438 PolarHBondContact O-N 3.35Å
439	T	29.7	Very low	49.1	Very low	95 Å²	95	106 Å²	106	58%	0.583	62%	0.615	S	S	*	*	S	Bend	trans	-144.8	117	-176.3	37.9	0	0	0	0	110.6	L436 S441	L436-T439 WeakPolarHBondContact CD2-OG1 3.49Å; T439-S441 VanDerWaalsContact C-N 3.35Å; T439-S441 PolarHBondContact O-N 3.41Å
440	G	33.4	Very low	48.1	Very low	88 Å²	88	103.5 Å²	103.5	91%	0.907	60%	0.602	S	S	*	*			trans	-70.9	77.7	-175.8	0	0	0	0	0	114
441	S	30.1	Very low	47.3	Very low	91 Å²	91	107.2 Å²	107.2	64%	0.636	62%	0.622	S	S	*	*			trans	-140.2	105.7	171.1	-62.4	0	0	0	0	111.6	T439 A443	T439-S441 VanDerWaalsContact C-N 3.35Å; T439-S441 PolarHBondContact O-N 3.41Å; S441-A443 PolarHBondContact O-N 3.4Å
442	Q	31.6	Very low	47.2	Very low	205 Å²	205	107.5 Å²	107.5	96%	0.958	62%	0.622	S	S	*	*	S	Bend	trans	32.2	72.2	148.2	-62.9	-179.2	-6	0	0	117.6
443	A	33.9	Very low	47.5	Very low	87 Å²	87	104.1 Å²	104.1	72%	0.719	62%	0.619	S	S	*	*			trans	-140.7	42	163.2	0	0	0	0	0	111.6	S441	S441-A443 PolarHBondContact O-N 3.4Å
444	A	34.6	Very low	48.5	Very low	100 Å²	100	103 Å²	103	83%	0.826	61%	0.614	S	S	*	*			trans	-85.6	2.8	-175.9	0	0	0	0	0	114.8
445	D	32.4	Very low	49.8	Very low	136 Å²	136	97.5 Å²	97.5	73%	0.727	59%	0.585	S	S	*	*	S	Bend	trans	-105.6	-6.4	-156.8	-124.1	9.7	0	0	0	118.2
446	Y	42.5	Very low	51.5	Low	218 Å²	218	94.8 Å²	94.8	86%	0.855	58%	0.582	S	S	*	*			trans	-151.8	78.3	177	-70	-82.3	0	0	0	114.4
447	S	48.5	Very low	53.4	Low	74 Å²	74	92.3 Å²	92.3	52%	0.517	57%	0.567	S	S	.	*			trans	-131.4	78.3	161.6	55.7	0	0	0	0	110.8	P449	S447-P449 WeakPolarHBondContact O-CD 3.12Å
448	V	56	Low	55.4	Low	115 Å²	115	88.1 Å²	88.1	70%	0.697	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-62.2	122.1	174.4	-176	0	0	0	0	108.6
449	P	60.8	Low	57.1	Low	96 Å²	96	90.3 Å²	90.3	62%	0.623	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-58.9	152.9	174.8	-20.2	31	0	0	0	111.5	S447 D451	S447-P449 WeakPolarHBondContact O-CD 3.12Å; P449-D451 PolarHBondContact O-N 3.25Å
450	M	68.3	Low	59	Low	22 Å²	22	88.5 Å²	88.5	11%	0.108	55%	0.549	C	S	.	.	P	Polyproline II helix	trans	-62.3	130.4	170.2	-79	-163.4	-98	0	0	110.4	L452 L462 M464 V470	M450-L452 HydrophobicContact CB-CD2 4.46Å; M450-L452 HydrophobicContact CB-CG 4.3Å; M450-L452 PolarHBondContact O-N 2.83Å; M450-L452 VanDerWaalsContact O-N 3.17Å; M450-L462 HydrophobicContact CE-CD2 4.29Å; M450-M464 VanDerWaalsContact CE-C 3.48Å; M450-M464 HydrophobicContact CE-CB 3.51Å; M450-M464 HydrophobicContact CE-CG 3.54Å; M450-M464 WeakPolarHBondContact CE-O 3.43Å; M450-M464 HydrophobicContact CE-SD 3.9Å; M450-V470 HydrophobicContact CB-CG2 4.37Å; M450-V470 HydrophobicContact CG-CG2 4.19Å; M450-V470 HydrophobicContact SD-CG2 3.48Å; M450-V470 WeakPolarHBondContact SD-CG2 3.27Å
451	D	70.1	Confident	60.6	Low	87 Å²	87	85.5 Å²	85.5	47%	0.465	52%	0.518	S	S	.	.			trans	-75.3	101.3	170.7	173.7	31.9	0	0	0	110	P449 S453 W454 R474	P449-D451 PolarHBondContact O-N 3.25Å; D451-S453 VanDerWaalsContact OD1-CB 3.27Å; D451-S453 WeakPolarHBondContact OD1-CB 3.37Å; D451-S453 PolarHBondContact OD1-N 2.71Å; D451-S453 VanDerWaalsContact OD1-N 3.16Å; D451-S453 PolarHBondContact OD1-OG 3.38Å; D451-W454 PolarHBondContact O-NE1 3.04Å; D451-R474 IonicContact OD2-NH2 2.62Å; D451-R474 PolarHBondContact OD2-NH2 2.96Å
452	L	76.8	Confident	62.9	Low	17 Å²	17	82.2 Å²	82.2	9%	0.089	49%	0.493	C	S	.	.			trans	-103.8	10.2	177.3	-60.7	174.8	0	0	0	112.7	M450 W454 N455 L462 V470 E521	M450-L452 HydrophobicContact CB-CD2 4.46Å; M450-L452 HydrophobicContact CB-CG 4.3Å; M450-L452 PolarHBondContact O-N 2.83Å; M450-L452 VanDerWaalsContact O-N 3.17Å; L452-W454 PolarHBondContact O-N 2.7Å; L452-W454 VanDerWaalsContact O-N 3.15Å; L452-N455 PolarHBondContact O-N 3.13Å; L452-N455 VanDerWaalsContact O-N 3.16Å; L452-L462 HydrophobicContact CD1-CB 4.43Å; L452-V470 HydrophobicContact CD2-CG2 4.38Å; L452-E521 HydrophobicContact CD1-CB 4.32Å
453	S	74.9	Confident	64.7	Low	98 Å²	98	78.3 Å²	78.3	69%	0.685	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.6	-176.9	62.6	0	0	0	0	114	D451 N455	D451-S453 VanDerWaalsContact OD1-CB 3.27Å; D451-S453 WeakPolarHBondContact OD1-CB 3.37Å; D451-S453 PolarHBondContact OD1-N 2.71Å; D451-S453 VanDerWaalsContact OD1-N 3.16Å; D451-S453 PolarHBondContact OD1-OG 3.38Å; S453-N455 VanDerWaalsContact C-N 3.25Å; S453-N455 PolarHBondContact O-N 2.67Å
454	W	77.3	Confident	66.7	Low	76 Å²	76	74.4 Å²	74.4	29%	0.288	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-18.1	177.8	59.9	-84.9	0	0	0	113.9	D451 L452 L522 L539	D451-W454 PolarHBondContact O-NE1 3.04Å; L452-W454 PolarHBondContact O-N 2.7Å; L452-W454 VanDerWaalsContact O-N 3.15Å; W454-L522 WeakPolarHBondContact CH2-O 3.1Å; W454-L539 HydrophobicContact CH2-CD2 3.78Å; W454-L539 HydrophobicContact CZ3-CD2 3.62Å
455	N	82.3	Confident	68.4	Low	10 Å²	10	73.5 Å²	73.5	5%	0.053	41%	0.414	C	S	.	.			trans	-99.9	114	179.7	177.6	8	0	0	0	110.3	L452 S453 F457 S458 R520 E521	L452-N455 PolarHBondContact O-N 3.13Å; L452-N455 VanDerWaalsContact O-N 3.16Å; S453-N455 VanDerWaalsContact C-N 3.25Å; S453-N455 PolarHBondContact O-N 2.67Å; N455-F457 PolarHBondContact O-N 3.5Å; N455-F457 PolarHBondContact OD1-N 3.31Å; N455-S458 VanDerWaalsContact O-CB 3.29Å; N455-S458 WeakPolarHBondContact O-CB 3.36Å; N455-S458 PolarHBondContact O-N 2.85Å; N455-S458 VanDerWaalsContact O-N 3.15Å; N455-R520 PolarHBondContact ND2-O 3.46Å; N455-E521 PolarHBondContact ND2-O 2.9Å
456	P	79.7	Confident	70.4	Confident	112 Å²	112	67.4 Å²	67.4	73%	0.727	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-18.5	-178	27.3	-34.4	0	0	0	113.5
457	F	81.6	Confident	71.7	Confident	49 Å²	49	60.8 Å²	60.8	22%	0.215	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	7	179.1	-59.6	-73.9	0	0	0	113.6	N455 W498 R520 V525	N455-F457 PolarHBondContact O-N 3.5Å; N455-F457 PolarHBondContact OD1-N 3.31Å; F457-W498 HydrophobicContact CE1-CH2 4.32Å; F457-W498 HydrophobicContact CE1-CZ3 4.35Å; F457-R520 HydrophobicContact CB-CG 4.21Å; F457-R520 WeakPolarHBondContact O-CD 3.44Å; F457-R520 PolarHBondContact O-NE 3.44Å; F457-V525 HydrophobicContact CB-CG1 4.27Å; F457-V525 HydrophobicContact CB-CG2 3.85Å; F457-V525 HydrophobicContact CD2-CB 4.39Å; F457-V525 HydrophobicContact CD2-CG1 4.3Å; F457-V525 HydrophobicContact CD2-CG2 3.76Å; F457-V525 HydrophobicContact CG-CG1 4.12Å; F457-V525 HydrophobicContact CG-CG2 4.04Å
458	S	81.4	Confident	73.2	Confident	39 Å²	39	60.8 Å²	60.8	27%	0.273	36%	0.363	S	S	.	.			trans	-69.2	128.2	175.9	173.8	0	0	0	0	110.8	N455 E521	N455-S458 VanDerWaalsContact O-CB 3.29Å; N455-S458 WeakPolarHBondContact O-CB 3.36Å; N455-S458 PolarHBondContact O-N 2.85Å; N455-S458 VanDerWaalsContact O-N 3.15Å; S458-E521 PolarHBondContact OG-OE2 3.47Å
459	S	73.2	Confident	74.4	Confident	81 Å²	81	55.3 Å²	55.3	57%	0.566	33%	0.33	S	S	*	.			trans	-105.9	8.4	174.2	87.7	0	0	0	0	112.8	G461 R520 E521	S459-G461 PolarHBondContact O-N 3.32Å; S459-R520 VanDerWaalsContact CB-NH2 3.29Å; S459-R520 PolarHBondContact OG-NH2 3.37Å; S459-E521 PolarHBondContact N-OE1 2.89Å; S459-E521 PolarHBondContact N-OE2 3.27Å; S459-E521 PolarHBondContact OG-OE1 3.45Å
460	G	70.7	Confident	75.2	Confident	58 Å²	58	51.2 Å²	51.2	60%	0.598	30%	0.303	S	S	*	.	S	Bend	trans	66.3	24.4	-175.4	0	0	0	0	0	113.2	E521	G460-E521 PolarHBondContact N-OE2 2.93Å
461	G	66.9	Low	75.6	Confident	24 Å²	24	56.6 Å²	56.6	25%	0.247	33%	0.328	C	S	.	.			trans	-79.7	-27.9	-174.2	0	0	0	0	0	113.9	S459 R463 E521	S459-G461 PolarHBondContact O-N 3.32Å; G461-R463 PolarHBondContact O-N 2.81Å; G461-E521 PolarHBondContact N-OE2 3.23Å
462	L	77.2	Confident	76	Confident	23 Å²	23	54.1 Å²	54.1	12%	0.12	32%	0.316	C	S	.	.			trans	-81.1	114.6	-176.2	-173.9	67.3	0	0	0	111.2	L420 M450 L452 M464 A518 E521 L522	L420-L462 HydrophobicContact CB-CD1 4.28Å; L420-L462 HydrophobicContact CD2-CD1 4.38Å; M450-L462 HydrophobicContact CE-CD2 4.29Å; L452-L462 HydrophobicContact CD1-CB 4.43Å; L462-M464 HydrophobicContact CD1-CB 4.19Å; L462-M464 HydrophobicContact CD2-CB 4.46Å; L462-M464 HydrophobicContact CG-CB 4.01Å; L462-A518 HydrophobicContact CD1-CB 3.92Å; L462-E521 HydrophobicContact CB-CB 3.83Å; L462-E521 HydrophobicContact CB-CG 3.86Å; L462-E521 HydrophobicContact CD2-CB 4.2Å; L462-L522 HydrophobicContact CD2-CD2 3.85Å; L462-L522 HydrophobicContact CD2-CG 3.97Å
463	R	68.8	Low	76	Confident	122 Å²	122	53.7 Å²	53.7	46%	0.46	31%	0.314	S	S	.	.			trans	-104.4	57.4	177.9	-66.9	-169.5	176.9	-161.6	-3.1	112	R421 G461	R421-R463 PolarHBondContact NH1-O 3.49Å; G461-R463 PolarHBondContact O-N 2.81Å
464	M	76	Confident	76	Confident	5 Å²	5	55.6 Å²	55.6	3%	0.025	31%	0.306	C	S	.	.			trans	-114.5	139.8	178.3	-179.1	-176.5	-175.3	0	0	109.2	R421 Y430 M450 L462 L469	R421-M464 WeakPolarHBondContact O-CG 3.49Å; Y430-M464 WeakPolarHBondContact O-CE 3.46Å; M450-M464 VanDerWaalsContact CE-C 3.48Å; M450-M464 HydrophobicContact CE-CB 3.51Å; M450-M464 HydrophobicContact CE-CG 3.54Å; M450-M464 WeakPolarHBondContact CE-O 3.43Å; M450-M464 HydrophobicContact CE-SD 3.9Å; L462-M464 HydrophobicContact CD1-CB 4.19Å; L462-M464 HydrophobicContact CD2-CB 4.46Å; L462-M464 HydrophobicContact CG-CB 4.01Å; M464-L469 HydrophobicContact CE-CD2 4.1Å; M464-L469 HydrophobicContact SD-CD2 4.3Å
465	F	70.6	Confident	75.6	Confident	81 Å²	81	53.9 Å²	53.9	36%	0.355	31%	0.312	S	S	.	.			trans	-110.8	96.2	179.6	-62.8	-83.3	0	0	0	109.6	G431	G431-F465 WeakPolarHBondContact CA-O 3.21Å
466	S	74.3	Confident	74.6	Confident	9 Å²	9	60.6 Å²	60.6	6%	0.063	34%	0.343	C	S	.	.			trans	-159.1	77.2	179.1	-158.9	0	0	0	0	112.3	Y430 T468 L469	Y430-S466 WeakPolarHBondContact CD1-OG 3.35Å; S466-T468 PolarHBondContact O-N 3.39Å; S466-T468 VanDerWaalsContact O-N 3.15Å; S466-T468 PolarHBondContact OG-OG1 3.3Å; S466-L469 WeakPolarHBondContact O-CB 3.47Å; S466-L469 PolarHBondContact O-N 2.96Å
467	P	71.4	Confident	73.7	Confident	79 Å²	79	65.6 Å²	65.6	51%	0.513	35%	0.347	S	S	.	.	H	α-helix	trans	-57	-32	179.4	23.1	-32.9	0	0	0	112.8	L469 V470 E471	P467-L469 VanDerWaalsContact C-N 3.25Å; P467-L469 PolarHBondContact O-N 2.78Å; P467-V470 PolarHBondContact O-N 2.82Å; P467-E471 PolarHBondContact O-N 3.09Å; P467-E471 VanDerWaalsContact O-N 3.09Å
468	T	78.1	Confident	73.3	Confident	73 Å²	73	64.9 Å²	64.9	45%	0.448	35%	0.348	S	S	.	.	H	α-helix	trans	-57.9	-31.4	175.6	54.8	0	0	0	0	114.1	S466 T472	S466-T468 PolarHBondContact O-N 3.39Å; S466-T468 VanDerWaalsContact O-N 3.15Å; S466-T468 PolarHBondContact OG-OG1 3.3Å; T468-T472 WeakPolarHBondContact O-CB 3.39Å; T468-T472 PolarHBondContact O-N 3.18Å; T468-T472 PolarHBondContact O-OG1 2.69Å
469	L	81.1	Confident	73.4	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.005	36%	0.363	C	S	.	.	H	α-helix	trans	-69.1	-46.9	178.4	-177.9	61	0	0	0	110	I425 Y430 M464 S466 P467 E471 T472 L473 T481 L522	I425-L469 HydrophobicContact CD1-CD1 4.26Å; Y430-L469 HydrophobicContact CD1-CB 3.68Å; Y430-L469 HydrophobicContact CD1-CD1 3.97Å; Y430-L469 HydrophobicContact CD1-CG 4.32Å; Y430-L469 HydrophobicContact CD2-CD1 4.27Å; Y430-L469 HydrophobicContact CE1-CB 4.07Å; Y430-L469 HydrophobicContact CE1-CD1 3.96Å; Y430-L469 HydrophobicContact CE2-CD1 4.3Å; Y430-L469 HydrophobicContact CG-CB 4.3Å; Y430-L469 HydrophobicContact CG-CD1 4.11Å; M464-L469 HydrophobicContact CE-CD2 4.1Å; M464-L469 HydrophobicContact SD-CD2 4.3Å; S466-L469 WeakPolarHBondContact O-CB 3.47Å; S466-L469 PolarHBondContact O-N 2.96Å; P467-L469 VanDerWaalsContact C-N 3.25Å; P467-L469 PolarHBondContact O-N 2.78Å; L469-E471 VanDerWaalsContact C-N 3.34Å; L469-E471 PolarHBondContact O-N 2.77Å; L469-T472 PolarHBondContact O-N 3.45Å; L469-L473 HydrophobicContact CG-CD1 4.17Å; L469-L473 VanDerWaalsContact O-CG 3.23Å; L469-L473 WeakPolarHBondContact O-CG 3.38Å; L469-L473 PolarHBondContact O-N 3.3Å; L469-T481 HydrophobicContact CD1-CG2 4.36Å; L469-L522 HydrophobicContact CD2-CD1 4.28Å; L469-L522 HydrophobicContact CD2-CD2 4.18Å
470	V	78.3	Confident	74.1	Confident	9 Å²	9	65.4 Å²	65.4	6%	0.055	35%	0.347	C	S	.	.	H	α-helix	trans	-63.6	-41.1	178.9	-179.4	0	0	0	0	111	M450 L452 P467 T472 L473 R474	M450-V470 HydrophobicContact CB-CG2 4.37Å; M450-V470 HydrophobicContact CG-CG2 4.19Å; M450-V470 HydrophobicContact SD-CG2 3.48Å; M450-V470 WeakPolarHBondContact SD-CG2 3.27Å; L452-V470 HydrophobicContact CD2-CG2 4.38Å; P467-V470 PolarHBondContact O-N 2.82Å; V470-T472 VanDerWaalsContact C-N 3.34Å; V470-T472 PolarHBondContact O-N 2.87Å; V470-L473 PolarHBondContact O-N 2.75Å; V470-R474 HydrophobicContact CG1-CG 4.39Å; V470-R474 WeakPolarHBondContact O-CB 3.27Å; V470-R474 WeakPolarHBondContact O-CG 3.29Å; V470-R474 PolarHBondContact O-N 3.13Å
471	E	76.4	Confident	74.9	Confident	135 Å²	135	62.8 Å²	62.8	63%	0.631	32%	0.32	S	S	*	.	H	α-helix	trans	-61.3	-42.4	174.2	-71.4	176.2	-173.3	0	0	112.2	P467 L469 R474 G475	P467-E471 PolarHBondContact O-N 3.09Å; P467-E471 VanDerWaalsContact O-N 3.09Å; L469-E471 VanDerWaalsContact C-N 3.34Å; L469-E471 PolarHBondContact O-N 2.77Å; E471-R474 PolarHBondContact O-N 3.44Å; E471-G475 PolarHBondContact O-N 3.33Å
472	T	78.8	Confident	75.9	Confident	36 Å²	36	64.2 Å²	64.2	22%	0.221	32%	0.324	C	S	.	.	H	α-helix	trans	-65.8	-38.8	178.1	-56.4	0	0	0	0	111.7	T468 L469 V470 Q476 C478	T468-T472 WeakPolarHBondContact O-CB 3.39Å; T468-T472 PolarHBondContact O-N 3.18Å; T468-T472 PolarHBondContact O-OG1 2.69Å; L469-T472 PolarHBondContact O-N 3.45Å; V470-T472 VanDerWaalsContact C-N 3.34Å; V470-T472 PolarHBondContact O-N 2.87Å; T472-Q476 PolarHBondContact O-N 3.21Å; T472-C478 HydrophobicContact CG2-CB 4.44Å
473	L	77.8	Confident	76.6	Confident	8 Å²	8	65.5 Å²	65.5	4%	0.042	33%	0.329	C	S	.	.	H	α-helix	trans	-66.2	-47.5	175.3	-68.4	172.8	0	0	0	111.7	L469 V470 G475 Q476 T481 L485 L522 W524	L469-L473 HydrophobicContact CG-CD1 4.17Å; L469-L473 VanDerWaalsContact O-CG 3.23Å; L469-L473 WeakPolarHBondContact O-CG 3.38Å; L469-L473 PolarHBondContact O-N 3.3Å; V470-L473 PolarHBondContact O-N 2.75Å; L473-G475 VanDerWaalsContact C-N 3.28Å; L473-G475 PolarHBondContact O-N 3.3Å; L473-Q476 PolarHBondContact O-N 2.94Å; L473-T481 HydrophobicContact CD2-CG2 3.57Å; L473-L485 HydrophobicContact CD1-CD1 4.14Å; L473-L485 HydrophobicContact CD2-CD1 3.5Å; L473-L485 VanDerWaalsContact CD2-CD1 3.5Å; L473-L485 HydrophobicContact CG-CD1 4.48Å; L473-L522 HydrophobicContact CD1-CB 4.36Å; L473-L522 HydrophobicContact CD1-CD2 4.13Å; L473-W524 HydrophobicContact CD1-CZ3 4.44Å; L473-W524 HydrophobicContact CD2-CH2 3.76Å; L473-W524 HydrophobicContact CD2-CZ3 3.82Å
474	R	73.3	Confident	77.7	Confident	138 Å²	138	59.8 Å²	59.8	52%	0.521	31%	0.308	S	S	.	.	H	α-helix	trans	-62.6	-35.5	177.6	-73.3	-178.9	-175.9	-179.8	5.6	112.2	D451 V470 E471 Q476	D451-R474 IonicContact OD2-NH2 2.62Å; D451-R474 PolarHBondContact OD2-NH2 2.96Å; V470-R474 HydrophobicContact CG1-CG 4.39Å; V470-R474 WeakPolarHBondContact O-CB 3.27Å; V470-R474 WeakPolarHBondContact O-CG 3.29Å; V470-R474 PolarHBondContact O-N 3.13Å; E471-R474 PolarHBondContact O-N 3.44Å; R474-Q476 VanDerWaalsContact C-N 3.31Å; R474-Q476 PolarHBondContact O-N 2.93Å
475	G	68.6	Low	78.5	Confident	40 Å²	40	59.7 Å²	59.7	41%	0.412	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-5.9	178.4	0	0	0	0	0	115.4	E471 L473 R477	E471-G475 PolarHBondContact O-N 3.33Å; L473-G475 VanDerWaalsContact C-N 3.28Å; L473-G475 PolarHBondContact O-N 3.3Å; G475-R477 WeakPolarHBondContact O-CG 3.43Å; G475-R477 PolarHBondContact O-N 3.42Å
476	Q	63.3	Low	79.5	Confident	151 Å²	151	56.1 Å²	56.1	71%	0.706	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.8	31.3	-172.4	-68.6	-174.8	-7.9	0	0	114.2	T472 L473 R474 C478	T472-Q476 PolarHBondContact O-N 3.21Å; L473-Q476 PolarHBondContact O-N 2.94Å; R474-Q476 VanDerWaalsContact C-N 3.31Å; R474-Q476 PolarHBondContact O-N 2.93Å; Q476-C478 VanDerWaalsContact C-N 3.34Å; Q476-C478 PolarHBondContact O-N 3.43Å
477	R	60.3	Low	80.4	Confident	217 Å²	217	55.8 Å²	55.8	82%	0.819	29%	0.291	S	S	*	.			trans	-77.2	-13.7	-168.1	-68.9	-176.1	180	170.5	-0.1	114.5	G475	G475-R477 WeakPolarHBondContact O-CG 3.43Å; G475-R477 PolarHBondContact O-N 3.42Å
478	C	72.3	Confident	81.5	Confident	33 Å²	33	52.3 Å²	52.3	22%	0.223	27%	0.267	C	S	.	.			trans	-138.4	111.2	-172.8	-171.8	0	0	0	0	113.3	T472 Q476 V480 T481	T472-C478 HydrophobicContact CG2-CB 4.44Å; Q476-C478 VanDerWaalsContact C-N 3.34Å; Q476-C478 PolarHBondContact O-N 3.43Å; C478-V480 VanDerWaalsContact C-N 3.27Å; C478-V480 PolarHBondContact O-N 3.25Å; C478-T481 PolarHBondContact O-N 2.78Å
479	P	84.1	Confident	82.2	Confident	91 Å²	91	48.8 Å²	48.8	59%	0.591	25%	0.246	S	C	*	.	H	α-helix	trans	-68.1	-22	178.6	25.4	-32.7	0	0	0	113.9	T481 T482 Q483	P479-T481 VanDerWaalsContact C-N 3.31Å; P479-T482 PolarHBondContact O-OG1 2.84Å; P479-Q483 WeakPolarHBondContact O-CG 3.4Å; P479-Q483 PolarHBondContact O-N 3.39Å; P479-Q483 VanDerWaalsContact O-N 3.16Å
480	V	87.6	Confident	82.8	Confident	40 Å²	40	48.9 Å²	48.9	24%	0.242	25%	0.246	C	C	.	.	H	α-helix	trans	-68	-34.9	175.1	-178.7	0	0	0	0	110.8	I425 A426 C478 Q483 F484 L659	I425-V480 HydrophobicContact CG2-CG1 4.45Å; A426-V480 HydrophobicContact CB-CB 4.28Å; A426-V480 HydrophobicContact CB-CG1 4.04Å; C478-V480 VanDerWaalsContact C-N 3.27Å; C478-V480 PolarHBondContact O-N 3.25Å; V480-Q483 PolarHBondContact O-N 3.39Å; V480-F484 WeakPolarHBondContact O-CB 3.12Å; V480-F484 PolarHBondContact O-N 2.75Å; V480-L659 HydrophobicContact CG1-CB 4.45Å; V480-L659 HydrophobicContact CG1-CD2 3.84Å
481	T	87.8	Confident	83.5	Confident	4 Å²	4	48.5 Å²	48.5	3%	0.025	24%	0.244	C	C	.	.	H	α-helix	trans	-70.5	-40.8	-179.4	-53.9	0	0	0	0	111.5	I425 L469 L473 C478 P479 F484 L485	I425-T481 HydrophobicContact CD1-CG2 4.21Å; I425-T481 HydrophobicContact CG2-CG2 4.42Å; L469-T481 HydrophobicContact CD1-CG2 4.36Å; L473-T481 HydrophobicContact CD2-CG2 3.57Å; C478-T481 PolarHBondContact O-N 2.78Å; P479-T481 VanDerWaalsContact C-N 3.31Å; T481-F484 PolarHBondContact O-N 3.42Å; T481-L485 HydrophobicContact CG2-CD1 4.49Å; T481-L485 PolarHBondContact O-N 3.38Å; T481-L485 VanDerWaalsContact O-N 3.1Å
482	T	88.5	Confident	84.1	Confident	53 Å²	53	42 Å²	42	33%	0.325	21%	0.214	S	C	.	.	H	α-helix	trans	-64.9	-45.3	175.3	57.5	0	0	0	0	110.7	P479 F484 L485 S486 W524	P479-T482 PolarHBondContact O-OG1 2.84Å; T482-F484 VanDerWaalsContact C-N 3.3Å; T482-F484 PolarHBondContact O-N 2.98Å; T482-L485 PolarHBondContact O-N 2.86Å; T482-S486 PolarHBondContact O-N 3.01Å; T482-S486 PolarHBondContact O-OG 3.45Å; T482-S486 VanDerWaalsContact O-OG 3.05Å; T482-W524 HydrophobicContact CG2-CH2 4.41Å; T482-W524 HydrophobicContact CG2-CZ2 4.02Å
483	Q	90.5	Very high	84.5	Confident	50 Å²	50	41.1 Å²	41.1	23%	0.234	21%	0.208	C	C	.	.	H	α-helix	trans	-61.4	-36.9	175.8	-72	-178.7	6.4	0	0	113	P479 V480 A487 L659	P479-Q483 WeakPolarHBondContact O-CG 3.4Å; P479-Q483 PolarHBondContact O-N 3.39Å; P479-Q483 VanDerWaalsContact O-N 3.16Å; V480-Q483 PolarHBondContact O-N 3.39Å; Q483-A487 VanDerWaalsContact O-CB 3.3Å; Q483-A487 WeakPolarHBondContact O-CB 3.41Å; Q483-A487 PolarHBondContact O-N 2.88Å; Q483-L659 HydrophobicContact CB-CD1 4.07Å; Q483-L659 HydrophobicContact CB-CD2 3.99Å
484	F	93.4	Very high	84.8	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.009	21%	0.206	C	C	.	.	H	α-helix	trans	-63.3	-46	175.7	-179.5	-95.2	0	0	0	111.8	C423 I425 V480 T481 T482 A487 L488 V613 L659 T662	C423-F484 HydrophobicContact CB-CZ 4.4Å; I425-F484 HydrophobicContact CD1-CD1 3.54Å; I425-F484 HydrophobicContact CD1-CE1 3.72Å; I425-F484 HydrophobicContact CD1-CG 4.22Å; I425-F484 HydrophobicContact CG1-CD1 3.83Å; I425-F484 HydrophobicContact CG1-CD2 4.48Å; I425-F484 HydrophobicContact CG1-CE1 3.83Å; I425-F484 HydrophobicContact CG1-CE2 4.48Å; I425-F484 HydrophobicContact CG1-CG 4.14Å; I425-F484 HydrophobicContact CG1-CZ 4.15Å; I425-F484 HydrophobicContact CG2-CB 4.24Å; I425-F484 HydrophobicContact CG2-CG 4.38Å; V480-F484 WeakPolarHBondContact O-CB 3.12Å; V480-F484 PolarHBondContact O-N 2.75Å; T481-F484 PolarHBondContact O-N 3.42Å; T482-F484 VanDerWaalsContact C-N 3.3Å; T482-F484 PolarHBondContact O-N 2.98Å; F484-A487 WeakPolarHBondContact O-CB 3.33Å; F484-A487 PolarHBondContact O-N 3.17Å; F484-L488 HydrophobicContact CD1-CD1 4.34Å; F484-L488 HydrophobicContact CE1-CD1 3.87Å; F484-L488 HydrophobicContact CE1-CG 4.47Å; F484-L488 HydrophobicContact CZ-CD1 4.43Å; F484-L488 WeakPolarHBondContact O-CG 3.36Å; F484-L488 PolarHBondContact O-N 2.87Å; F484-L488 VanDerWaalsContact O-N 3.16Å; F484-V613 HydrophobicContact CD2-CB 3.94Å; F484-V613 HydrophobicContact CD2-CG1 4.18Å; F484-V613 HydrophobicContact CD2-CG2 4.34Å; F484-V613 HydrophobicContact CE2-CB 3.77Å; F484-V613 HydrophobicContact CE2-CG1 4.42Å; F484-V613 HydrophobicContact CE2-CG2 3.76Å; F484-V613 HydrophobicContact CZ-CG2 4.43Å; F484-L659 HydrophobicContact CB-CB 4.31Å; F484-L659 HydrophobicContact CD2-CB 4.01Å; F484-T662 HydrophobicContact CE1-CG2 4.25Å; F484-T662 HydrophobicContact CE2-CG2 4.28Å; F484-T662 HydrophobicContact CZ-CG2 3.49Å; F484-T662 VanDerWaalsContact CZ-CG2 3.49Å
485	L	91.9	Very high	85.3	Confident	3 Å²	3	38.2 Å²	38.2	2%	0.016	20%	0.202	C	C	.	.	H	α-helix	trans	-71.5	-38.6	179.1	-66.1	174.4	0	0	0	112.5	L473 T481 T482 A487 L488 A489 L522 W524	L473-L485 HydrophobicContact CD1-CD1 4.14Å; L473-L485 HydrophobicContact CD2-CD1 3.5Å; L473-L485 VanDerWaalsContact CD2-CD1 3.5Å; L473-L485 HydrophobicContact CG-CD1 4.48Å; T481-L485 HydrophobicContact CG2-CD1 4.49Å; T481-L485 PolarHBondContact O-N 3.38Å; T481-L485 VanDerWaalsContact O-N 3.1Å; T482-L485 PolarHBondContact O-N 2.86Å; L485-A487 VanDerWaalsContact C-N 3.28Å; L485-A487 PolarHBondContact O-N 2.85Å; L485-L488 HydrophobicContact CD2-CD1 4.36Å; L485-L488 PolarHBondContact O-N 3.44Å; L485-A489 PolarHBondContact O-N 3.14Å; L485-L522 HydrophobicContact CD1-CB 4.3Å; L485-L522 HydrophobicContact CD1-CD1 4.45Å; L485-L522 HydrophobicContact CD2-CB 4.41Å; L485-L522 HydrophobicContact CD2-CD1 3.65Å; L485-W524 HydrophobicContact CB-CD2 3.54Å; L485-W524 HydrophobicContact CB-CE3 3.79Å; L485-W524 HydrophobicContact CB-CG 3.88Å; L485-W524 HydrophobicContact CB-CZ2 4.28Å; L485-W524 HydrophobicContact CB-CZ3 4.29Å; L485-W524 HydrophobicContact CD1-CD2 4.06Å; L485-W524 HydrophobicContact CD1-CE3 3.4Å; L485-W524 VanDerWaalsContact CD1-CE3 3.4Å; L485-W524 HydrophobicContact CD1-CH2 3.72Å; L485-W524 HydrophobicContact CD1-CZ2 4.31Å; L485-W524 HydrophobicContact CD1-CZ3 3.22Å; L485-W524 HydrophobicContact CG-CD2 4.42Å; L485-W524 HydrophobicContact CG-CE3 4.18Å; L485-W524 HydrophobicContact CG-CZ3 4.36Å
486	S	91.8	Very high	86	Confident	7 Å²	7	37.6 Å²	37.6	5%	0.049	19%	0.192	C	C	.	.	H	α-helix	trans	-60.8	-38.7	170.7	-55.4	0	0	0	0	111	T482 L488 A489 L490 W524 E538	T482-S486 PolarHBondContact O-N 3.01Å; T482-S486 PolarHBondContact O-OG 3.45Å; T482-S486 VanDerWaalsContact O-OG 3.05Å; S486-L488 VanDerWaalsContact C-N 3.35Å; S486-L488 PolarHBondContact O-N 2.92Å; S486-A489 CarbonylContact O-C 3.59Å; S486-A489 PolarHBondContact O-N 3.14Å; S486-L490 VanDerWaalsContact O-CB 3.28Å; S486-L490 WeakPolarHBondContact O-CB 3.24Å; S486-L490 WeakPolarHBondContact O-CG 3.47Å; S486-L490 PolarHBondContact O-N 2.6Å; S486-W524 PolarHBondContact OG-NE1 2.87Å; S486-E538 PolarHBondContact OG-OE1 3.5Å
487	A	93.5	Very high	86.9	Confident	2 Å²	2	32 Å²	32	2%	0.017	17%	0.166	C	C	.	.	H	α-helix	trans	-61	-41.5	175.2	0	0	0	0	0	112.4	Q483 F484 L485 L490 C491 Y574 V613 L659	Q483-A487 VanDerWaalsContact O-CB 3.3Å; Q483-A487 WeakPolarHBondContact O-CB 3.41Å; Q483-A487 PolarHBondContact O-N 2.88Å; F484-A487 WeakPolarHBondContact O-CB 3.33Å; F484-A487 PolarHBondContact O-N 3.17Å; L485-A487 VanDerWaalsContact C-N 3.28Å; L485-A487 PolarHBondContact O-N 2.85Å; A487-L490 PolarHBondContact O-N 2.67Å; A487-C491 WeakPolarHBondContact O-CB 3.25Å; A487-C491 PolarHBondContact O-N 3.46Å; A487-Y574 HydrophobicContact CB-CD1 3.39Å; A487-Y574 HydrophobicContact CB-CE1 3.95Å; A487-Y574 HydrophobicContact CB-CG 4.07Å; A487-V613 HydrophobicContact CB-CG1 3.57Å; A487-L659 HydrophobicContact CB-CD1 4.39Å
488	L	93.6	Very high	87.9	Confident	5 Å²	5	27.8 Å²	27.8	3%	0.026	15%	0.15	C	C	.	.	H	α-helix	trans	-66	-36.2	176.1	-63.8	-175.1	0	0	0	112.6	F484 L485 S486 H492 L515 A519 V613 T662	F484-L488 HydrophobicContact CD1-CD1 4.34Å; F484-L488 HydrophobicContact CE1-CD1 3.87Å; F484-L488 HydrophobicContact CE1-CG 4.47Å; F484-L488 HydrophobicContact CZ-CD1 4.43Å; F484-L488 WeakPolarHBondContact O-CG 3.36Å; F484-L488 PolarHBondContact O-N 2.87Å; F484-L488 VanDerWaalsContact O-N 3.16Å; L485-L488 HydrophobicContact CD2-CD1 4.36Å; L485-L488 PolarHBondContact O-N 3.44Å; S486-L488 VanDerWaalsContact C-N 3.35Å; S486-L488 PolarHBondContact O-N 2.92Å; L488-H492 PolarHBondContact O-CD2 3.32Å; L488-L515 HydrophobicContact CD2-CB 4.4Å; L488-L515 HydrophobicContact CD2-CD1 4.34Å; L488-L515 HydrophobicContact CD2-CD2 4.11Å; L488-A519 HydrophobicContact CB-CB 4.08Å; L488-V613 HydrophobicContact CD2-CG2 4.08Å; L488-T662 HydrophobicContact CD1-CG2 4.28Å; L488-T662 HydrophobicContact CD2-CG2 4.05Å
489	A	93.8	Very high	88.2	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-84.6	-11	179.9	0	0	0	0	0	114.8	L485 S486 H492 A519 W524 V536	L485-A489 PolarHBondContact O-N 3.14Å; S486-A489 CarbonylContact O-C 3.59Å; S486-A489 PolarHBondContact O-N 3.14Å; A489-H492 PolarHBondContact O-CD2 3.33Å; A489-H492 PolarHBondContact O-NE2 2.72Å; A489-A519 HydrophobicContact CB-CB 4.31Å; A489-W524 HydrophobicContact CB-CB 4.1Å; A489-V536 HydrophobicContact CB-CG1 4.09Å
490	L	93	Very high	87.9	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-110.6	-44.4	179.8	-66.9	170	0	0	0	112.3	S486 A487 H492 V534 V536 Y545 V562 V564 Y574	S486-L490 VanDerWaalsContact O-CB 3.28Å; S486-L490 WeakPolarHBondContact O-CB 3.24Å; S486-L490 WeakPolarHBondContact O-CG 3.47Å; S486-L490 PolarHBondContact O-N 2.6Å; A487-L490 PolarHBondContact O-N 2.67Å; L490-H492 PolarHBondContact O-N 2.7Å; L490-V534 HydrophobicContact CD2-CB 4.2Å; L490-V534 HydrophobicContact CD2-CG1 3.91Å; L490-V536 HydrophobicContact CD2-CG2 3.75Å; L490-Y545 HydrophobicContact CD1-CD1 3.91Å; L490-Y545 HydrophobicContact CD1-CD2 4.49Å; L490-Y545 HydrophobicContact CD1-CE1 3.88Å; L490-Y545 HydrophobicContact CD1-CE2 4.48Å; L490-Y545 HydrophobicContact CD1-CG 4.23Å; L490-Y545 HydrophobicContact CD2-CD1 4.35Å; L490-Y545 HydrophobicContact CD2-CD2 3.78Å; L490-Y545 HydrophobicContact CD2-CE2 4.3Å; L490-Y545 HydrophobicContact CD2-CG 3.82Å; L490-V562 HydrophobicContact CB-CG1 4.34Å; L490-V564 HydrophobicContact CD1-CG2 4.34Å; L490-Y574 HydrophobicContact CD1-CD2 4.24Å; L490-Y574 HydrophobicContact CD1-CE2 3.82Å
491	C	92.6	Very high	87.3	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.007	20%	0.195	C	C	.	.	S	Bend	trans	-85.1	74	-174	-170	0	0	0	0	111.2	A487 V562 K576	A487-C491 WeakPolarHBondContact O-CB 3.25Å; A487-C491 PolarHBondContact O-N 3.46Å; C491-V562 HydrophobicContact CB-CB 4.42Å; C491-V562 HydrophobicContact CB-CG1 3.64Å; C491-K576 WeakPolarHBondContact O-CD 3.13Å; C491-K576 WeakPolarHBondContact O-CE 3.48Å; C491-K576 PolarHBondContact O-NZ 3.01Å
492	H	90.4	Very high	87	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-157.4	174.1	177	62.4	78.9	0	0	0	112.8	L488 A489 L490 V494 V516 F526 R529	L488-H492 PolarHBondContact O-CD2 3.32Å; A489-H492 PolarHBondContact O-CD2 3.33Å; A489-H492 PolarHBondContact O-NE2 2.72Å; L490-H492 PolarHBondContact O-N 2.7Å; H492-V494 HydrophobicContact CB-CG2 4.09Å; H492-V494 WeakPolarHBondContact ND1-CB 3.07Å; H492-V494 PolarHBondContact ND1-N 3.46Å; H492-V494 VanDerWaalsContact ND1-N 3.14Å; H492-V494 PolarHBondContact ND1-O 3.44Å; H492-V516 HydrophobicContact CB-CG2 3.91Å; H492-V516 WeakPolarHBondContact CD2-CG2 3.39Å; H492-F526 AromaticContact CE1-CD1 3.62Å; H492-F526 AromaticContact CE1-CD2 3.89Å; H492-F526 AromaticContact CE1-CE1 3.76Å; H492-F526 AromaticContact CE1-CG 3.7Å; H492-F526 AromaticContact CE1-CZ 3.97Å; H492-F526 AromaticContact NE2-CD2 3.99Å; H492-F526 AromaticContact NE2-CG 3.8Å; H492-R529 PolarHBondContact CE1-NH2 3.23Å; H492-R529 PolarHBondContact ND1-NH2 3.11Å; H492-R529 PolarHBondContact O-NH1 2.87Å; H492-R529 PolarHBondContact O-NH2 3.08Å
493	T	85.9	Confident	86.8	Confident	17 Å²	17	36.8 Å²	36.8	10%	0.104	20%	0.195	C	C	.	.			trans	-112.9	8.4	170.1	52.6	0	0	0	0	114.5	E512 L550 M560 Q1154	T493-E512 PolarHBondContact N-OE2 3.14Å; T493-E512 PolarHBondContact OG1-OE2 3.41Å; T493-L550 HydrophobicContact CG2-CD2 3.9Å; T493-M560 HydrophobicContact CG2-CE 3.71Å; T493-Q1154 PolarHBondContact OG1-NE2 2.88Å
494	V	85.6	Confident	86.5	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.198	C	C	.	.			trans	-56.4	138	176.1	-174.6	0	0	0	0	112.1	H492 Y505 A507 E512 V516 F526	H492-V494 HydrophobicContact CB-CG2 4.09Å; H492-V494 WeakPolarHBondContact ND1-CB 3.07Å; H492-V494 PolarHBondContact ND1-N 3.46Å; H492-V494 VanDerWaalsContact ND1-N 3.14Å; H492-V494 PolarHBondContact ND1-O 3.44Å; V494-Y505 HydrophobicContact CG1-CD1 3.95Å; V494-Y505 HydrophobicContact CG1-CG 3.93Å; V494-A507 HydrophobicContact CB-CB 4.43Å; V494-A507 HydrophobicContact CG1-CB 4.46Å; V494-A507 HydrophobicContact CG2-CB 3.78Å; V494-E512 HydrophobicContact CG2-CB 3.7Å; V494-V516 HydrophobicContact CB-CG2 4.17Å; V494-V516 HydrophobicContact CG2-CB 4.21Å; V494-V516 HydrophobicContact CG2-CG2 3.63Å; V494-F526 WeakPolarHBondContact O-CE1 3.5Å
495	M	82.6	Confident	86.2	Confident	85 Å²	85	37.2 Å²	37.2	42%	0.419	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	142.2	171.9	-63.5	-63.4	-73.6	0	0	109.8	Y505 Q506	M495-Y505 WeakPolarHBondContact O-CA 3.35Å; M495-Q506 PolarHBondContact N-O 3.28Å; M495-Q506 PolarHBondContact O-N 2.64Å
496	A	84.6	Confident	85.5	Confident	26 Å²	26	38.9 Å²	38.9	22%	0.215	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	124.1	178.1	0	0	0	0	0	109.9	P503 Y505 F526 L527	A496-P503 HydrophobicContact CB-CB 4.41Å; A496-Y505 HydrophobicContact CB-CD1 4.06Å; A496-Y505 HydrophobicContact CB-CE1 3.93Å; A496-F526 HydrophobicContact CB-CD1 3.88Å; A496-F526 HydrophobicContact CB-CE1 3.69Å; A496-L527 WeakPolarHBondContact CB-O 3.49Å
497	E	80.5	Confident	84.8	Confident	33 Å²	33	39 Å²	39	15%	0.154	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.6	172.6	-168.9	-162.8	166.4	0	0	109.5	R150 K499 P503 V504 Q506	R150-E497 IonicContact CZ-OE1 2.83Å; R150-E497 IonicContact NH2-OE1 2.67Å; R150-E497 PolarHBondContact NH2-OE1 3.31Å; R150-E497 IonicContact NH2-OE2 4Å; R150-E497 PolarHBondContact NH2-OE2 2.93Å; E497-K499 PolarHBondContact O-N 3.2Å; E497-K499 WeakPolarHBondContact OE1-CE 3.36Å; E497-K499 IonicContact OE1-NZ 3.62Å; E497-K499 WeakPolarHBondContact OE2-CE 3.37Å; E497-K499 IonicContact OE2-NZ 3.18Å; E497-P503 CarbonylContact O-C 3.54Å; E497-V504 PolarHBondContact N-O 3.25Å; E497-V504 PolarHBondContact O-N 2.87Å; E497-Q506 PolarHBondContact OE2-NE2 2.91Å
498	W	81.1	Confident	83.7	Confident	129 Å²	129	41 Å²	41	49%	0.489	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	113.4	-179.6	-72.2	81.5	0	0	0	110.9	F457 L527	F457-W498 HydrophobicContact CE1-CH2 4.32Å; F457-W498 HydrophobicContact CE1-CZ3 4.35Å; W498-L527 HydrophobicContact CH2-CD2 3.71Å; W498-L527 HydrophobicContact CZ2-CB 4.2Å; W498-L527 HydrophobicContact CZ2-CD2 3.65Å; W498-L527 HydrophobicContact CZ2-CG 4.5Å; W498-L527 PolarHBondContact NE1-O 3.47Å
499	K	79	Confident	83	Confident	93 Å²	93	40.7 Å²	40.7	40%	0.404	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.6	172.1	-63.8	-168.9	-175.3	179.2	0	110	E497 G501 S502 V504	E497-K499 PolarHBondContact O-N 3.2Å; E497-K499 WeakPolarHBondContact OE1-CE 3.36Å; E497-K499 IonicContact OE1-NZ 3.62Å; E497-K499 WeakPolarHBondContact OE2-CE 3.37Å; E497-K499 IonicContact OE2-NZ 3.18Å; K499-G501 PolarHBondContact O-N 2.99Å; K499-S502 PolarHBondContact N-O 2.81Å; K499-S502 PolarHBondContact O-N 3.36Å; K499-S502 PolarHBondContact O-OG 2.57Å; K499-V504 HydrophobicContact CB-CG2 4Å; K499-V504 HydrophobicContact CD-CG2 4.2Å; K499-V504 HydrophobicContact CG-CG2 4.16Å
500	E	77.9	Confident	82.3	Confident	208 Å²	208	41.6 Å²	41.6	97%	0.972	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	34.3	174.5	-58.3	-178.9	173.7	0	0	114
501	G	76.1	Confident	82	Confident	60 Å²	60	41.5 Å²	41.5	62%	0.619	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.1	5.6	179.8	0	0	0	0	0	115.9	K499	K499-G501 PolarHBondContact O-N 2.99Å
502	S	80.3	Confident	81.7	Confident	49 Å²	49	41.5 Å²	41.5	34%	0.343	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	145.4	175.5	69.8	0	0	0	0	112.2	K499 V504	K499-S502 PolarHBondContact N-O 2.81Å; K499-S502 PolarHBondContact O-N 3.36Å; K499-S502 PolarHBondContact O-OG 2.57Å; S502-V504 PolarHBondContact O-N 2.89Å
503	P	84.4	Confident	81.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	120.4	175.5	29.9	-31.9	0	0	0	110.7	A496 E497 Y505 R520 V525	A496-P503 HydrophobicContact CB-CB 4.41Å; E497-P503 CarbonylContact O-C 3.54Å; P503-Y505 HydrophobicContact CB-CE1 4.05Å; P503-R520 PolarHBondContact O-NH1 3.04Å; P503-V525 HydrophobicContact CG-CG1 3.84Å
504	V	84.6	Confident	81.8	Confident	50 Å²	50	46 Å²	46	30%	0.303	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	121.9	169	179.5	0	0	0	0	108.3	E497 K499 S502	E497-V504 PolarHBondContact N-O 3.25Å; E497-V504 PolarHBondContact O-N 2.87Å; K499-V504 HydrophobicContact CB-CG2 4Å; K499-V504 HydrophobicContact CD-CG2 4.2Å; K499-V504 HydrophobicContact CG-CG2 4.16Å; S502-V504 PolarHBondContact O-N 2.89Å
505	Y	86.1	Confident	82.1	Confident	12 Å²	12	46.2 Å²	46.2	5%	0.047	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	136.6	-178.1	-66.1	-41	0	0	0	111.6	V494 M495 A496 P503 V516 R520 F526	V494-Y505 HydrophobicContact CG1-CD1 3.95Å; V494-Y505 HydrophobicContact CG1-CG 3.93Å; M495-Y505 WeakPolarHBondContact O-CA 3.35Å; A496-Y505 HydrophobicContact CB-CD1 4.06Å; A496-Y505 HydrophobicContact CB-CE1 3.93Å; P503-Y505 HydrophobicContact CB-CE1 4.05Å; Y505-V516 HydrophobicContact CD1-CG1 4.27Å; Y505-V516 HydrophobicContact CD2-CB 4.43Å; Y505-V516 HydrophobicContact CD2-CG1 3.88Å; Y505-V516 HydrophobicContact CE1-CG1 4.14Å; Y505-V516 HydrophobicContact CE2-CG1 3.7Å; Y505-V516 HydrophobicContact CG-CG1 4.18Å; Y505-R520 HydrophobicContact CE2-CB 3.74Å; Y505-R520 HydrophobicContact CE2-CG 4.21Å; Y505-F526 HydrophobicContact CD1-CD1 4.08Å; Y505-F526 HydrophobicContact CE1-CB 4.03Å; Y505-F526 AromaticContact CE1-CD1 3.68Å; Y505-F526 HydrophobicContact CE1-CD1 3.68Å; Y505-F526 HydrophobicContact CE1-CG 4.32Å; Y505-F526 VanDerWaalsContact CE1-O 3.29Å; Y505-F526 WeakPolarHBondContact CE1-O 3.43Å; Y505-F526 PolarHBondContact OH-N 3.25Å; Y505-F526 VanDerWaalsContact OH-N 3.12Å; Y505-F526 PolarHBondContact OH-O 2.85Å
506	Q	77.1	Confident	82.5	Confident	38 Å²	38	42.2 Å²	42.2	18%	0.178	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	131.2	174.6	-56.7	-169.3	22.5	0	0	109	L183 N251 M495 E497	L183-Q506 HydrophobicContact CD1-CB 4.24Å; L183-Q506 VanDerWaalsContact CD1-OE1 3.23Å; N251-Q506 VanDerWaalsContact ND2-CD 3.34Å; N251-Q506 PolarHBondContact ND2-OE1 3.21Å; N251-Q506 VanDerWaalsContact OD1-CD 3.28Å; N251-Q506 PolarHBondContact OD1-NE2 3.28Å; N251-Q506 PolarHBondContact OD1-OE1 3.15Å; M495-Q506 PolarHBondContact N-O 3.28Å; M495-Q506 PolarHBondContact O-N 2.64Å; E497-Q506 PolarHBondContact OE2-NE2 2.91Å
507	A	78.6	Confident	82.8	Confident	9 Å²	9	41.7 Å²	41.7	7%	0.074	23%	0.229	C	C	.	.			trans	-133.9	155.1	-172.4	0	0	0	0	0	111.7	V494 S509 E512 E513	V494-A507 HydrophobicContact CB-CB 4.43Å; V494-A507 HydrophobicContact CG1-CB 4.46Å; V494-A507 HydrophobicContact CG2-CB 3.78Å; A507-S509 WeakPolarHBondContact CB-O 3.38Å; A507-E512 HydrophobicContact CB-CB 4.41Å; A507-E513 HydrophobicContact CB-CB 3.84Å
508	A	70	Confident	83.3	Confident	43 Å²	43	40.3 Å²	40.3	36%	0.355	22%	0.223	S	C	.	.	S	Bend	trans	-74.3	-16.9	167.4	0	0	0	0	0	112.5	N182	N182-A508 VanDerWaalsContact CG-O 3.26Å; N182-A508 PolarHBondContact ND2-O 3.16Å
509	S	78.2	Confident	83.8	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-131.3	128	177.2	166.3	0	0	0	0	109.8	A507 D511 E512 E513 S1153	A507-S509 WeakPolarHBondContact CB-O 3.38Å; S509-D511 PolarHBondContact O-N 3.5Å; S509-D511 PolarHBondContact OG-N 2.85Å; S509-D511 PolarHBondContact OG-OD2 2.94Å; S509-E512 PolarHBondContact O-N 2.9Å; S509-E512 VanDerWaalsContact O-N 3.13Å; S509-E513 PolarHBondContact O-N 3.29Å; S509-S1153 WeakPolarHBondContact CB-O 3.48Å; S509-S1153 PolarHBondContact OG-O 3.36Å
510	P	80.3	Confident	84.3	Confident	19 Å²	19	31 Å²	31	12%	0.123	19%	0.185	C	C	.	.	H	α-helix	trans	-67.1	-23.2	178.7	29.2	-35.4	0	0	0	112	N182 L418 E512 E513 T514 S1153	N182-P510 WeakPolarHBondContact OD1-CD 3.26Å; L418-P510 HydrophobicContact CD1-CB 3.84Å; L418-P510 HydrophobicContact CD1-CG 3.8Å; L418-P510 HydrophobicContact CG-CB 4.33Å; P510-E512 VanDerWaalsContact C-N 3.32Å; P510-E513 PolarHBondContact O-N 3.4Å; P510-T514 WeakPolarHBondContact O-CB 3.42Å; P510-T514 PolarHBondContact O-N 2.94Å; P510-T514 PolarHBondContact O-OG1 2.94Å; P510-S1153 WeakPolarHBondContact CD-OG 3.35Å; P510-S1153 WeakPolarHBondContact CG-OG 3.48Å
511	D	85.4	Confident	84.8	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.1	-41	175.3	-56.3	-77.3	0	0	0	109.4	L418 S509 T514 L515 R609 I664 I1152 S1153	L418-D511 HydrophobicContact CD1-CB 4.19Å; L418-D511 WeakPolarHBondContact CD1-OD1 3.36Å; S509-D511 PolarHBondContact O-N 3.5Å; S509-D511 PolarHBondContact OG-N 2.85Å; S509-D511 PolarHBondContact OG-OD2 2.94Å; D511-T514 PolarHBondContact O-N 3.2Å; D511-L515 VanDerWaalsContact O-CG 3.26Å; D511-L515 WeakPolarHBondContact O-CG 3.41Å; D511-L515 PolarHBondContact O-N 3.41Å; D511-R609 IonicContact OD1-NH1 3.91Å; D511-R609 PolarHBondContact OD1-NH1 3.19Å; D511-R609 IonicContact OD2-NH1 3.82Å; D511-I664 HydrophobicContact CB-CD1 4.33Å; D511-I1152 HydrophobicContact CB-CG1 4.19Å; D511-I1152 WeakPolarHBondContact OD2-CA 3.35Å; D511-S1153 WeakPolarHBondContact OD2-CB 3.3Å; D511-S1153 PolarHBondContact OD2-N 3.41Å; D511-S1153 PolarHBondContact OD2-OG 2.9Å
512	E	87.9	Confident	85.4	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-68.9	-43	177.1	-61.5	-157.9	135.3	0	0	112.3	T493 V494 A507 S509 P510 T514 L515 V516 M560 K576	T493-E512 PolarHBondContact N-OE2 3.14Å; T493-E512 PolarHBondContact OG1-OE2 3.41Å; V494-E512 HydrophobicContact CG2-CB 3.7Å; A507-E512 HydrophobicContact CB-CB 4.41Å; S509-E512 PolarHBondContact O-N 2.9Å; S509-E512 VanDerWaalsContact O-N 3.13Å; P510-E512 VanDerWaalsContact C-N 3.32Å; E512-T514 PolarHBondContact O-N 3.26Å; E512-L515 PolarHBondContact O-N 3.38Å; E512-V516 WeakPolarHBondContact O-CG2 3.5Å; E512-V516 PolarHBondContact O-N 3.47Å; E512-M560 WeakPolarHBondContact OE1-CE 3.38Å; E512-K576 WeakPolarHBondContact OE1-CE 3.3Å; E512-K576 IonicContact OE1-NZ 2.64Å; E512-K576 PolarHBondContact OE1-NZ 3.21Å
513	E	87.6	Confident	85.7	Confident	89 Å²	89	16.2 Å²	16.2	42%	0.416	10%	0.095	S	C	.	.	H	α-helix	trans	-55.5	-43.6	175.6	-169.7	-172.6	152.9	0	0	110.9	A507 S509 P510 G517	A507-E513 HydrophobicContact CB-CB 3.84Å; S509-E513 PolarHBondContact O-N 3.29Å; P510-E513 PolarHBondContact O-N 3.4Å; E513-G517 WeakPolarHBondContact O-CA 3.48Å; E513-G517 PolarHBondContact O-N 3.47Å
514	T	89.6	Confident	86	Confident	24 Å²	24	16.4 Å²	16.4	15%	0.147	10%	0.096	C	C	.	.	H	α-helix	trans	-67.1	-41.2	179.6	-58.6	0	0	0	0	112.1	L418 L420 P510 D511 E512 A518 I664	L418-T514 HydrophobicContact CB-CG2 4.41Å; L418-T514 WeakPolarHBondContact CB-OG1 3.4Å; L418-T514 PolarHBondContact O-OG1 3.35Å; L420-T514 HydrophobicContact CB-CG2 4.26Å; P510-T514 WeakPolarHBondContact O-CB 3.42Å; P510-T514 PolarHBondContact O-N 2.94Å; P510-T514 PolarHBondContact O-OG1 2.94Å; D511-T514 PolarHBondContact O-N 3.2Å; E512-T514 PolarHBondContact O-N 3.26Å; T514-A518 VanDerWaalsContact O-CB 3.31Å; T514-A518 WeakPolarHBondContact O-CB 3.46Å; T514-A518 PolarHBondContact O-N 3.34Å; T514-I664 HydrophobicContact CG2-CG2 4.31Å
515	L	91.9	Very high	86.4	Confident	4 Å²	4	14.1 Å²	14.1	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-67.5	-45.5	179.1	-72.1	176.1	0	0	0	112.2	L420 L488 D511 E512 A518 A519 L611 T662 I664	L420-L515 HydrophobicContact CD1-CD2 4.28Å; L488-L515 HydrophobicContact CD2-CB 4.4Å; L488-L515 HydrophobicContact CD2-CD1 4.34Å; L488-L515 HydrophobicContact CD2-CD2 4.11Å; D511-L515 VanDerWaalsContact O-CG 3.26Å; D511-L515 WeakPolarHBondContact O-CG 3.41Å; D511-L515 PolarHBondContact O-N 3.41Å; E512-L515 PolarHBondContact O-N 3.38Å; L515-A518 PolarHBondContact O-N 3.06Å; L515-A519 PolarHBondContact O-N 3.33Å; L515-L611 HydrophobicContact CD1-CD1 3.88Å; L515-T662 HydrophobicContact CD2-CG2 3.74Å; L515-I664 HydrophobicContact CD1-CD1 4.39Å; L515-I664 HydrophobicContact CD2-CD1 3.9Å; L515-I664 HydrophobicContact CD2-CG1 4.38Å; L515-I664 HydrophobicContact CG-CD1 3.95Å
516	V	92.1	Very high	86.7	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-69.4	-38.6	177.6	-179.2	0	0	0	0	110.6	H492 V494 Y505 E512 A518 A519 R520 F526	H492-V516 HydrophobicContact CB-CG2 3.91Å; H492-V516 WeakPolarHBondContact CD2-CG2 3.39Å; V494-V516 HydrophobicContact CB-CG2 4.17Å; V494-V516 HydrophobicContact CG2-CB 4.21Å; V494-V516 HydrophobicContact CG2-CG2 3.63Å; Y505-V516 HydrophobicContact CD1-CG1 4.27Å; Y505-V516 HydrophobicContact CD2-CB 4.43Å; Y505-V516 HydrophobicContact CD2-CG1 3.88Å; Y505-V516 HydrophobicContact CE1-CG1 4.14Å; Y505-V516 HydrophobicContact CE2-CG1 3.7Å; Y505-V516 HydrophobicContact CG-CG1 4.18Å; E512-V516 WeakPolarHBondContact O-CG2 3.5Å; E512-V516 PolarHBondContact O-N 3.47Å; V516-A518 PolarHBondContact O-N 2.97Å; V516-A519 PolarHBondContact O-N 3.07Å; V516-R520 PolarHBondContact O-N 3.22Å; V516-F526 HydrophobicContact CG1-CB 3.93Å; V516-F526 HydrophobicContact CG1-CD1 4.46Å
517	G	90.4	Very high	87.2	Confident	16 Å²	16	12.8 Å²	12.8	17%	0.165	8%	0.077	C	C	.	.	H	α-helix	trans	-57.8	-47.2	171.2	0	0	0	0	0	111.8	E513 A519 R520 E521	E513-G517 WeakPolarHBondContact O-CA 3.48Å; E513-G517 PolarHBondContact O-N 3.47Å; G517-A519 PolarHBondContact O-N 3.39Å; G517-R520 WeakPolarHBondContact O-CB 3.36Å; G517-R520 PolarHBondContact O-N 2.74Å; G517-E521 WeakPolarHBondContact O-CG 3.35Å; G517-E521 PolarHBondContact O-N 3.46Å
518	A	89.9	Confident	87.5	Confident	4 Å²	4	14.9 Å²	14.9	3%	0.033	9%	0.091	C	C	.	.	H	α-helix	trans	-63.4	-40.8	176.2	0	0	0	0	0	112.8	L420 L462 T514 L515 V516 R520 E521 L522	L420-A518 HydrophobicContact CB-CB 4.03Å; L420-A518 HydrophobicContact CD2-CB 3.42Å; L420-A518 VanDerWaalsContact CD2-CB 3.42Å; L420-A518 HydrophobicContact CG-CB 4.36Å; L462-A518 HydrophobicContact CD1-CB 3.92Å; T514-A518 VanDerWaalsContact O-CB 3.31Å; T514-A518 WeakPolarHBondContact O-CB 3.46Å; T514-A518 PolarHBondContact O-N 3.34Å; L515-A518 PolarHBondContact O-N 3.06Å; V516-A518 PolarHBondContact O-N 2.97Å; A518-R520 VanDerWaalsContact C-N 3.32Å; A518-R520 PolarHBondContact O-N 2.72Å; A518-E521 PolarHBondContact O-N 3.36Å; A518-L522 WeakPolarHBondContact O-CG 3.48Å; A518-L522 PolarHBondContact O-N 3.12Å; A518-L522 VanDerWaalsContact O-N 3.11Å
519	A	91.6	Very high	88	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-60.1	-43	174.4	0	0	0	0	0	111.5	L488 A489 L515 V516 G517 E521 L522 G523 W524	L488-A519 HydrophobicContact CB-CB 4.08Å; A489-A519 HydrophobicContact CB-CB 4.31Å; L515-A519 PolarHBondContact O-N 3.33Å; V516-A519 PolarHBondContact O-N 3.07Å; G517-A519 PolarHBondContact O-N 3.39Å; A519-E521 PolarHBondContact O-N 3.11Å; A519-L522 CarbonylContact O-C 3.59Å; A519-L522 PolarHBondContact O-N 3.07Å; A519-G523 PolarHBondContact O-N 3.09Å; A519-W524 CarbonylContact C-O 3.52Å; A519-W524 HydrophobicContact CB-CB 4.23Å; A519-W524 CarbonylContact O-C 3.58Å; A519-W524 WeakPolarHBondContact O-CA 3.45Å; A519-W524 PolarHBondContact O-N 3.19Å
520	R	90.4	Very high	87.9	Confident	25 Å²	25	18.4 Å²	18.4	9%	0.094	10%	0.104	C	C	.	.	H	α-helix	trans	-57.9	-49.5	175.2	177.2	-169.6	72.4	-177.3	4.6	111.5	N455 F457 S459 P503 Y505 V516 G517 A518 L522 G523 W524 V525	N455-R520 PolarHBondContact ND2-O 3.46Å; F457-R520 HydrophobicContact CB-CG 4.21Å; F457-R520 WeakPolarHBondContact O-CD 3.44Å; F457-R520 PolarHBondContact O-NE 3.44Å; S459-R520 VanDerWaalsContact CB-NH2 3.29Å; S459-R520 PolarHBondContact OG-NH2 3.37Å; P503-R520 PolarHBondContact O-NH1 3.04Å; Y505-R520 HydrophobicContact CE2-CB 3.74Å; Y505-R520 HydrophobicContact CE2-CG 4.21Å; V516-R520 PolarHBondContact O-N 3.22Å; G517-R520 WeakPolarHBondContact O-CB 3.36Å; G517-R520 PolarHBondContact O-N 2.74Å; A518-R520 VanDerWaalsContact C-N 3.32Å; A518-R520 PolarHBondContact O-N 2.72Å; R520-L522 PolarHBondContact O-N 3.04Å; R520-G523 PolarHBondContact O-N 3.14Å; R520-W524 WeakPolarHBondContact CA-O 3.49Å; R520-W524 PolarHBondContact N-O 2.97Å; R520-W524 VanDerWaalsContact N-O 3.13Å; R520-V525 HydrophobicContact CB-CG2 4.49Å; R520-V525 HydrophobicContact CG-CB 4.36Å; R520-V525 HydrophobicContact CG-CG1 4.05Å; R520-V525 HydrophobicContact CG-CG2 3.9Å
521	E	88.3	Confident	87.4	Confident	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-60.8	-34.9	-179.6	-60.2	-67.3	128.2	0	0	111.6	L452 N455 S458 S459 G460 G461 L462 G517 A518 A519 G523	L452-E521 HydrophobicContact CD1-CB 4.32Å; N455-E521 PolarHBondContact ND2-O 2.9Å; S458-E521 PolarHBondContact OG-OE2 3.47Å; S459-E521 PolarHBondContact N-OE1 2.89Å; S459-E521 PolarHBondContact N-OE2 3.27Å; S459-E521 PolarHBondContact OG-OE1 3.45Å; G460-E521 PolarHBondContact N-OE2 2.93Å; G461-E521 PolarHBondContact N-OE2 3.23Å; L462-E521 HydrophobicContact CB-CB 3.83Å; L462-E521 HydrophobicContact CB-CG 3.86Å; L462-E521 HydrophobicContact CD2-CB 4.2Å; G517-E521 WeakPolarHBondContact O-CG 3.35Å; G517-E521 PolarHBondContact O-N 3.46Å; A518-E521 PolarHBondContact O-N 3.36Å; A519-E521 PolarHBondContact O-N 3.11Å; E521-G523 VanDerWaalsContact C-N 3.26Å; E521-G523 PolarHBondContact O-N 3.36Å
522	L	87.7	Confident	86.9	Confident	5 Å²	5	26.3 Å²	26.3	3%	0.026	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	4.1	176.4	-64.6	173.7	0	0	0	114.3	W454 L462 L469 L473 L485 A518 A519 R520 W524	W454-L522 WeakPolarHBondContact CH2-O 3.1Å; L462-L522 HydrophobicContact CD2-CD2 3.85Å; L462-L522 HydrophobicContact CD2-CG 3.97Å; L469-L522 HydrophobicContact CD2-CD1 4.28Å; L469-L522 HydrophobicContact CD2-CD2 4.18Å; L473-L522 HydrophobicContact CD1-CB 4.36Å; L473-L522 HydrophobicContact CD1-CD2 4.13Å; L485-L522 HydrophobicContact CD1-CB 4.3Å; L485-L522 HydrophobicContact CD1-CD1 4.45Å; L485-L522 HydrophobicContact CD2-CB 4.41Å; L485-L522 HydrophobicContact CD2-CD1 3.65Å; A518-L522 WeakPolarHBondContact O-CG 3.48Å; A518-L522 PolarHBondContact O-N 3.12Å; A518-L522 VanDerWaalsContact O-N 3.11Å; A519-L522 CarbonylContact O-C 3.59Å; A519-L522 PolarHBondContact O-N 3.07Å; R520-L522 PolarHBondContact O-N 3.04Å; L522-W524 VanDerWaalsContact O-CE3 3.24Å; L522-W524 VanDerWaalsContact O-CZ3 3.26Å; L522-W524 WeakPolarHBondContact O-CZ3 3.49Å
523	G	87.4	Confident	86.8	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.01	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.4	5.6	173.7	0	0	0	0	0	115.9	A519 R520 E521 S537 L539	A519-G523 PolarHBondContact O-N 3.09Å; R520-G523 PolarHBondContact O-N 3.14Å; E521-G523 VanDerWaalsContact C-N 3.26Å; E521-G523 PolarHBondContact O-N 3.36Å; G523-S537 VanDerWaalsContact O-O 3.06Å; G523-L539 PolarHBondContact O-N 3.32Å
524	W	91.8	Very high	86.9	Confident	5 Å²	5	25.4 Å²	25.4	2%	0.019	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	91	171.4	-81.4	-103.1	0	0	0	109.6	L473 T482 L485 S486 A489 A519 R520 L522 S537 E538 L539	L473-W524 HydrophobicContact CD1-CZ3 4.44Å; L473-W524 HydrophobicContact CD2-CH2 3.76Å; L473-W524 HydrophobicContact CD2-CZ3 3.82Å; T482-W524 HydrophobicContact CG2-CH2 4.41Å; T482-W524 HydrophobicContact CG2-CZ2 4.02Å; L485-W524 HydrophobicContact CB-CD2 3.54Å; L485-W524 HydrophobicContact CB-CE3 3.79Å; L485-W524 HydrophobicContact CB-CG 3.88Å; L485-W524 HydrophobicContact CB-CZ2 4.28Å; L485-W524 HydrophobicContact CB-CZ3 4.29Å; L485-W524 HydrophobicContact CD1-CD2 4.06Å; L485-W524 HydrophobicContact CD1-CE3 3.4Å; L485-W524 VanDerWaalsContact CD1-CE3 3.4Å; L485-W524 HydrophobicContact CD1-CH2 3.72Å; L485-W524 HydrophobicContact CD1-CZ2 4.31Å; L485-W524 HydrophobicContact CD1-CZ3 3.22Å; L485-W524 HydrophobicContact CG-CD2 4.42Å; L485-W524 HydrophobicContact CG-CE3 4.18Å; L485-W524 HydrophobicContact CG-CZ3 4.36Å; S486-W524 PolarHBondContact OG-NE1 2.87Å; A489-W524 HydrophobicContact CB-CB 4.1Å; A519-W524 CarbonylContact C-O 3.52Å; A519-W524 HydrophobicContact CB-CB 4.23Å; A519-W524 CarbonylContact O-C 3.58Å; A519-W524 WeakPolarHBondContact O-CA 3.45Å; A519-W524 PolarHBondContact O-N 3.19Å; R520-W524 WeakPolarHBondContact CA-O 3.49Å; R520-W524 PolarHBondContact N-O 2.97Å; R520-W524 VanDerWaalsContact N-O 3.13Å; L522-W524 VanDerWaalsContact O-CE3 3.24Å; L522-W524 VanDerWaalsContact O-CZ3 3.26Å; L522-W524 WeakPolarHBondContact O-CZ3 3.49Å; W524-S537 WeakPolarHBondContact CA-O 3.4Å; W524-E538 PolarHBondContact NE1-OE1 2.98Å; W524-L539 HydrophobicContact CH2-CD1 4.32Å; W524-L539 HydrophobicContact CH2-CD2 4.32Å; W524-L539 HydrophobicContact CH2-CG 4.24Å; W524-L539 HydrophobicContact CZ3-CD2 4.03Å; W524-L539 HydrophobicContact CZ3-CG 4.35Å
525	V	92	Very high	86.9	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	114.3	-170.3	-175.3	0	0	0	0	109.9	F457 P503 R520 L527 V536 S537	F457-V525 HydrophobicContact CB-CG1 4.27Å; F457-V525 HydrophobicContact CB-CG2 3.85Å; F457-V525 HydrophobicContact CD2-CB 4.39Å; F457-V525 HydrophobicContact CD2-CG1 4.3Å; F457-V525 HydrophobicContact CD2-CG2 3.76Å; F457-V525 HydrophobicContact CG-CG1 4.12Å; F457-V525 HydrophobicContact CG-CG2 4.04Å; P503-V525 HydrophobicContact CG-CG1 3.84Å; R520-V525 HydrophobicContact CB-CG2 4.49Å; R520-V525 HydrophobicContact CG-CB 4.36Å; R520-V525 HydrophobicContact CG-CG1 4.05Å; R520-V525 HydrophobicContact CG-CG2 3.9Å; V525-L527 HydrophobicContact CG1-CD2 3.82Å; V525-L527 PolarHBondContact O-N 3.23Å; V525-V536 CarbonylContact O-C 3.56Å; V525-V536 WeakPolarHBondContact O-CA 3.24Å; V525-V536 WeakPolarHBondContact O-CG1 3.35Å; V525-S537 PolarHBondContact N-O 3.4Å; V525-S537 PolarHBondContact O-N 3.11Å
526	F	92.7	Very high	86.9	Confident	1 Å²	1	25.8 Å²	25.8	0%	0.004	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	122.5	167.8	171	-119	0	0	0	109.4	H492 V494 A496 Y505 V516 S528 R529 V534	H492-F526 AromaticContact CE1-CD1 3.62Å; H492-F526 AromaticContact CE1-CD2 3.89Å; H492-F526 AromaticContact CE1-CE1 3.76Å; H492-F526 AromaticContact CE1-CG 3.7Å; H492-F526 AromaticContact CE1-CZ 3.97Å; H492-F526 AromaticContact NE2-CD2 3.99Å; H492-F526 AromaticContact NE2-CG 3.8Å; V494-F526 WeakPolarHBondContact O-CE1 3.5Å; A496-F526 HydrophobicContact CB-CD1 3.88Å; A496-F526 HydrophobicContact CB-CE1 3.69Å; Y505-F526 HydrophobicContact CD1-CD1 4.08Å; Y505-F526 HydrophobicContact CE1-CB 4.03Å; Y505-F526 AromaticContact CE1-CD1 3.68Å; Y505-F526 HydrophobicContact CE1-CD1 3.68Å; Y505-F526 HydrophobicContact CE1-CG 4.32Å; Y505-F526 VanDerWaalsContact CE1-O 3.29Å; Y505-F526 WeakPolarHBondContact CE1-O 3.43Å; Y505-F526 PolarHBondContact OH-N 3.25Å; Y505-F526 VanDerWaalsContact OH-N 3.12Å; Y505-F526 PolarHBondContact OH-O 2.85Å; V516-F526 HydrophobicContact CG1-CB 3.93Å; V516-F526 HydrophobicContact CG1-CD1 4.46Å; F526-S528 VanDerWaalsContact CE2-C 3.5Å; F526-S528 VanDerWaalsContact CE2-O 3.31Å; F526-S528 WeakPolarHBondContact CE2-O 3.43Å; F526-R529 HydrophobicContact CE2-CB 3.89Å; F526-R529 HydrophobicContact CZ-CB 3.72Å; F526-V534 HydrophobicContact CD2-CG1 4Å; F526-V534 HydrophobicContact CE2-CG1 3.85Å
527	L	88.2	Confident	86.8	Confident	21 Å²	21	26 Å²	26	11%	0.11	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-52.9	-174.4	-63.1	176.7	0	0	0	112.2	A496 W498 V525 V535 T542	A496-L527 WeakPolarHBondContact CB-O 3.49Å; W498-L527 HydrophobicContact CH2-CD2 3.71Å; W498-L527 HydrophobicContact CZ2-CB 4.2Å; W498-L527 HydrophobicContact CZ2-CD2 3.65Å; W498-L527 HydrophobicContact CZ2-CG 4.5Å; W498-L527 PolarHBondContact NE1-O 3.47Å; V525-L527 HydrophobicContact CG1-CD2 3.82Å; V525-L527 PolarHBondContact O-N 3.23Å; L527-V535 HydrophobicContact CB-CG1 4.49Å; L527-V535 HydrophobicContact CD1-CG1 4.15Å; L527-V535 PolarHBondContact N-O 3.1Å; L527-T542 HydrophobicContact CD1-CG2 3.99Å
528	S	84.3	Confident	86.8	Confident	53 Å²	53	26.2 Å²	26.2	37%	0.371	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	158.7	-179.1	65.3	0	0	0	0	111.4	F526 V535	F526-S528 VanDerWaalsContact CE2-C 3.5Å; F526-S528 VanDerWaalsContact CE2-O 3.31Å; F526-S528 WeakPolarHBondContact CE2-O 3.43Å; S528-V535 PolarHBondContact N-O 3.38Å; S528-V535 PolarHBondContact O-N 3.47Å
529	R	81.2	Confident	86.6	Confident	42 Å²	42	29.5 Å²	29.5	16%	0.158	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	131.4	174.8	175.6	175.9	-63.4	-176.2	-0.4	109.2	H492 F526 V534	H492-R529 PolarHBondContact CE1-NH2 3.23Å; H492-R529 PolarHBondContact ND1-NH2 3.11Å; H492-R529 PolarHBondContact O-NH1 2.87Å; H492-R529 PolarHBondContact O-NH2 3.08Å; F526-R529 HydrophobicContact CE2-CB 3.89Å; F526-R529 HydrophobicContact CZ-CB 3.72Å; R529-V534 HydrophobicContact CG-CG2 4.3Å
530	T	76.1	Confident	86.1	Confident	76 Å²	76	32.3 Å²	32.3	47%	0.466	18%	0.178	S	C	.	.			trans	-108.1	179.5	163	64.6	0	0	0	0	108.7	D532 F533	T530-D532 VanDerWaalsContact C-N 3.29Å; T530-D532 PolarHBondContact O-N 3.44Å; T530-F533 PolarHBondContact N-O 3.38Å; T530-F533 PolarHBondContact OG1-N 3.1Å; T530-F533 VanDerWaalsContact OG1-N 3.11Å; T530-F533 PolarHBondContact OG1-O 3.1Å
531	R	68.3	Low	86	Confident	100 Å²	100	33.6 Å²	33.6	38%	0.377	19%	0.194	S	C	.	.	S	Bend	trans	-60.9	-41.3	177.4	-172.3	-175.1	-174.5	175.2	3.9	112.3	I1162 S1164 S1167	R531-I1162 HydrophobicContact CG-CG2 4.36Å; R531-I1162 PolarHBondContact NE-O 3.15Å; R531-I1162 VanDerWaalsContact NE-O 3.11Å; R531-I1162 PolarHBondContact NH2-O 3.45Å; R531-S1164 PolarHBondContact NH2-O 3.37Å; R531-S1167 PolarHBondContact NH1-OG 3.47Å
532	D	76.4	Confident	86	Confident	85 Å²	85	38.7 Å²	38.7	46%	0.455	23%	0.226	S	C	.	.	S	Bend	trans	-103	-13.2	-170.9	-53	-38.3	0	0	0	112.7	T530 Q546 L547	T530-D532 VanDerWaalsContact C-N 3.29Å; T530-D532 PolarHBondContact O-N 3.44Å; D532-Q546 CarbonylContact O-C 3.52Å; D532-Q546 WeakPolarHBondContact O-CA 3.43Å; D532-L547 PolarHBondContact O-N 3.21Å
533	F	85	Confident	86.2	Confident	70 Å²	70	43.2 Å²	43.2	31%	0.307	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	146	-175.8	-57.8	-81.8	0	0	0	113.7	T530 Q544 Y545 Q546	T530-F533 PolarHBondContact N-O 3.38Å; T530-F533 PolarHBondContact OG1-N 3.1Å; T530-F533 VanDerWaalsContact OG1-N 3.11Å; T530-F533 PolarHBondContact OG1-O 3.1Å; F533-Q544 HydrophobicContact CB-CG 4.04Å; F533-Q544 HydrophobicContact CD1-CG 3.72Å; F533-Q544 HydrophobicContact CG-CG 4.1Å; F533-Y545 CarbonylContact C-O 3.55Å; F533-Y545 WeakPolarHBondContact CA-O 3.49Å; F533-Q546 HydrophobicContact CD1-CB 4.13Å; F533-Q546 HydrophobicContact CD1-CG 4.35Å; F533-Q546 HydrophobicContact CE1-CB 4.01Å; F533-Q546 HydrophobicContact CE1-CG 3.99Å
534	V	88.6	Confident	86.4	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.2	168.7	-174.9	0	0	0	0	108	L490 F526 R529 V536 Y545 L547	L490-V534 HydrophobicContact CD2-CB 4.2Å; L490-V534 HydrophobicContact CD2-CG1 3.91Å; F526-V534 HydrophobicContact CD2-CG1 4Å; F526-V534 HydrophobicContact CE2-CG1 3.85Å; R529-V534 HydrophobicContact CG-CG2 4.3Å; V534-V536 HydrophobicContact CG1-CG2 4.02Å; V534-Y545 PolarHBondContact N-O 2.99Å; V534-Y545 PolarHBondContact O-N 3.22Å; V534-L547 HydrophobicContact CG2-CB 4.24Å; V534-L547 HydrophobicContact CG2-CD2 4.36Å
535	V	90.3	Very high	86.4	Confident	34 Å²	34	48.3 Å²	48.3	21%	0.206	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120.1	179.9	-171.4	0	0	0	0	109.1	L527 S528 Q544	L527-V535 HydrophobicContact CB-CG1 4.49Å; L527-V535 HydrophobicContact CD1-CG1 4.15Å; L527-V535 PolarHBondContact N-O 3.1Å; S528-V535 PolarHBondContact N-O 3.38Å; S528-V535 PolarHBondContact O-N 3.47Å; V535-Q544 HydrophobicContact CG2-CG 4.49Å
536	V	92.1	Very high	86.4	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	137.1	-178.7	-177.8	0	0	0	0	109	A489 L490 V525 V534 E538 R543 Y545	A489-V536 HydrophobicContact CB-CG1 4.09Å; L490-V536 HydrophobicContact CD2-CG2 3.75Å; V525-V536 CarbonylContact O-C 3.56Å; V525-V536 WeakPolarHBondContact O-CA 3.24Å; V525-V536 WeakPolarHBondContact O-CG1 3.35Å; V534-V536 HydrophobicContact CG1-CG2 4.02Å; V536-E538 HydrophobicContact CG1-CG 4.33Å; V536-R543 PolarHBondContact N-O 2.97Å; V536-R543 PolarHBondContact O-N 2.95Å; V536-R543 VanDerWaalsContact O-O 3.13Å; V536-Y545 HydrophobicContact CB-CE2 4.46Å
537	S	90.9	Very high	86.2	Confident	4 Å²	4	52 Å²	52	3%	0.028	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	111.5	169	158.4	0	0	0	0	109.4	G523 W524 V525 G540 A541	G523-S537 VanDerWaalsContact O-O 3.06Å; W524-S537 WeakPolarHBondContact CA-O 3.4Å; V525-S537 PolarHBondContact N-O 3.4Å; V525-S537 PolarHBondContact O-N 3.11Å; S537-G540 WeakPolarHBondContact OG-CA 3.44Å; S537-G540 PolarHBondContact OG-N 3.43Å; S537-A541 CarbonylContact C-O 3.51Å; S537-A541 WeakPolarHBondContact CA-O 3.29Å
538	E	89.6	Confident	86.2	Confident	22 Å²	22	52.7 Å²	52.7	10%	0.103	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	109.8	175.7	-57.1	-163.6	141.8	0	0	109.5	S486 W524 V536 G540 A541 R543 Y545	S486-E538 PolarHBondContact OG-OE1 3.5Å; W524-E538 PolarHBondContact NE1-OE1 2.98Å; V536-E538 HydrophobicContact CG1-CG 4.33Å; E538-G540 PolarHBondContact O-N 3.17Å; E538-G540 VanDerWaalsContact O-N 3.11Å; E538-A541 PolarHBondContact N-O 3.23Å; E538-A541 PolarHBondContact O-N 2.63Å; E538-R543 WeakPolarHBondContact OE2-CD 3.47Å; E538-R543 IonicContact OE2-CZ 3.08Å; E538-R543 VanDerWaalsContact OE2-CZ 3.3Å; E538-R543 IonicContact OE2-NE 3.78Å; E538-R543 PolarHBondContact OE2-NE 3.4Å; E538-R543 IonicContact OE2-NH1 3.57Å; E538-R543 PolarHBondContact OE2-NH1 3.35Å; E538-Y545 PolarHBondContact OE1-OH 3.37Å
539	L	85.3	Confident	86.3	Confident	72 Å²	72	50.2 Å²	50.2	38%	0.377	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	33.6	-178.3	-59.4	172.8	0	0	0	113.7	W454 G523 W524	W454-L539 HydrophobicContact CH2-CD2 3.78Å; W454-L539 HydrophobicContact CZ3-CD2 3.62Å; G523-L539 PolarHBondContact O-N 3.32Å; W524-L539 HydrophobicContact CH2-CD1 4.32Å; W524-L539 HydrophobicContact CH2-CD2 4.32Å; W524-L539 HydrophobicContact CH2-CG 4.24Å; W524-L539 HydrophobicContact CZ3-CD2 4.03Å; W524-L539 HydrophobicContact CZ3-CG 4.35Å
540	G	81.5	Confident	86.5	Confident	59 Å²	59	48.4 Å²	48.4	61%	0.608	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.7	-8.4	-178.8	0	0	0	0	0	115.1	S537 E538	S537-G540 WeakPolarHBondContact OG-CA 3.44Å; S537-G540 PolarHBondContact OG-N 3.43Å; E538-G540 PolarHBondContact O-N 3.17Å; E538-G540 VanDerWaalsContact O-N 3.11Å
541	A	87.6	Confident	87.1	Confident	53 Å²	53	44.9 Å²	44.9	44%	0.438	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	120	174.7	0	0	0	0	0	111.1	S537 E538 R543	S537-A541 CarbonylContact C-O 3.51Å; S537-A541 WeakPolarHBondContact CA-O 3.29Å; E538-A541 PolarHBondContact N-O 3.23Å; E538-A541 PolarHBondContact O-N 2.63Å; A541-R543 PolarHBondContact O-N 3.45Å
542	T	89.9	Confident	87.8	Confident	108 Å²	108	41.1 Å²	41.1	66%	0.663	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	121.4	177.2	51.4	0	0	0	0	111.2	L527	L527-T542 HydrophobicContact CD1-CG2 3.99Å
543	R	90.4	Very high	88.2	Confident	100 Å²	100	37.1 Å²	37.1	38%	0.377	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	140.4	175.3	-68.2	-173.1	173.5	-167.7	-13.9	110.6	V536 E538 A541 Y545 P567	V536-R543 PolarHBondContact N-O 2.97Å; V536-R543 PolarHBondContact O-N 2.95Å; V536-R543 VanDerWaalsContact O-O 3.13Å; E538-R543 WeakPolarHBondContact OE2-CD 3.47Å; E538-R543 IonicContact OE2-CZ 3.08Å; E538-R543 VanDerWaalsContact OE2-CZ 3.3Å; E538-R543 IonicContact OE2-NE 3.78Å; E538-R543 PolarHBondContact OE2-NE 3.4Å; E538-R543 IonicContact OE2-NH1 3.57Å; E538-R543 PolarHBondContact OE2-NH1 3.35Å; A541-R543 PolarHBondContact O-N 3.45Å; R543-Y545 HydrophobicContact CB-CE2 3.84Å; R543-P567 HydrophobicContact CB-CG 4.23Å
544	Q	91.7	Very high	87.8	Confident	107 Å²	107	35.7 Å²	35.7	50%	0.5	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	118.1	179.8	-176.6	175.7	-6.2	0	0	109.3	F533 V535	F533-Q544 HydrophobicContact CB-CG 4.04Å; F533-Q544 HydrophobicContact CD1-CG 3.72Å; F533-Q544 HydrophobicContact CG-CG 4.1Å; V535-Q544 HydrophobicContact CG2-CG 4.49Å
545	Y	92.1	Very high	87.2	Confident	6 Å²	6	38.8 Å²	38.8	2%	0.024	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	134.8	176.7	-67.9	-98	0	0	0	109.1	L490 F533 V534 V536 E538 R543 V564 D566	L490-Y545 HydrophobicContact CD1-CD1 3.91Å; L490-Y545 HydrophobicContact CD1-CD2 4.49Å; L490-Y545 HydrophobicContact CD1-CE1 3.88Å; L490-Y545 HydrophobicContact CD1-CE2 4.48Å; L490-Y545 HydrophobicContact CD1-CG 4.23Å; L490-Y545 HydrophobicContact CD2-CD1 4.35Å; L490-Y545 HydrophobicContact CD2-CD2 3.78Å; L490-Y545 HydrophobicContact CD2-CE2 4.3Å; L490-Y545 HydrophobicContact CD2-CG 3.82Å; F533-Y545 CarbonylContact C-O 3.55Å; F533-Y545 WeakPolarHBondContact CA-O 3.49Å; V534-Y545 PolarHBondContact N-O 2.99Å; V534-Y545 PolarHBondContact O-N 3.22Å; V536-Y545 HydrophobicContact CB-CE2 4.46Å; E538-Y545 PolarHBondContact OE1-OH 3.37Å; R543-Y545 HydrophobicContact CB-CE2 3.84Å; Y545-V564 HydrophobicContact CD1-CG2 4.22Å; Y545-D566 WeakPolarHBondContact CD1-OD1 3.46Å; Y545-D566 HydrophobicContact CE1-CB 4.4Å; Y545-D566 VanDerWaalsContact CE1-OD1 3.23Å; Y545-D566 WeakPolarHBondContact CE1-OD1 3.31Å
546	Q	92	Very high	86.6	Confident	64 Å²	64	45.2 Å²	45.2	30%	0.299	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	119.8	172.9	-170.3	-177.9	10.4	0	0	109	D532 F533 L548 V564 R565	D532-Q546 CarbonylContact O-C 3.52Å; D532-Q546 WeakPolarHBondContact O-CA 3.43Å; F533-Q546 HydrophobicContact CD1-CB 4.13Å; F533-Q546 HydrophobicContact CD1-CG 4.35Å; F533-Q546 HydrophobicContact CE1-CB 4.01Å; F533-Q546 HydrophobicContact CE1-CG 3.99Å; Q546-L548 HydrophobicContact CG-CD2 4.19Å; Q546-V564 CarbonylContact O-C 3.59Å; Q546-V564 WeakPolarHBondContact O-CA 3.33Å; Q546-R565 HydrophobicContact CB-CB 4.05Å; Q546-R565 PolarHBondContact N-O 3.36Å; Q546-R565 PolarHBondContact O-N 2.77Å
547	L	88.6	Confident	86.3	Confident	14 Å²	14	45.9 Å²	45.9	7%	0.073	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	114.1	176.3	-176.8	61.7	0	0	0	109.3	D532 V534 V562 V564	D532-L547 PolarHBondContact O-N 3.21Å; V534-L547 HydrophobicContact CG2-CB 4.24Å; V534-L547 HydrophobicContact CG2-CD2 4.36Å; L547-V562 HydrophobicContact CD1-CG2 3.27Å; L547-V564 HydrophobicContact CD1-CG1 4.32Å
548	L	88.4	Confident	86.1	Confident	36 Å²	36	50.6 Å²	50.6	19%	0.188	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-45.8	-178.4	-65.4	176.4	0	0	0	112	Q546 L563 R565 L571 W623	Q546-L548 HydrophobicContact CG-CD2 4.19Å; L548-L563 HydrophobicContact CB-CD2 4.14Å; L548-L563 HydrophobicContact CB-CG 4.3Å; L548-L563 HydrophobicContact CD1-CD2 4.31Å; L548-L563 HydrophobicContact CD1-CG 4.4Å; L548-L563 PolarHBondContact N-O 2.82Å; L548-R565 HydrophobicContact CD1-CB 4.28Å; L548-L571 HydrophobicContact CD1-CD2 3.14Å; L548-W623 HydrophobicContact CB-CH2 3.77Å; L548-W623 HydrophobicContact CB-CZ2 3.76Å; L548-W623 HydrophobicContact CB-CZ3 4.43Å; L548-W623 HydrophobicContact CD1-CD2 4.5Å; L548-W623 HydrophobicContact CD1-CZ2 4.25Å; L548-W623 HydrophobicContact CD2-CZ2 4.16Å; L548-W623 HydrophobicContact CG-CZ2 4.28Å
549	A	86.2	Confident	86.2	Confident	2 Å²	2	50 Å²	50	2%	0.017	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	138	175.9	0	0	0	0	0	112.5	L551 L563 W623 W626	A549-L551 HydrophobicContact CB-CD1 4.22Å; A549-L563 HydrophobicContact CB-CB 4.2Å; A549-L563 PolarHBondContact N-O 3.04Å; A549-L563 PolarHBondContact O-N 2.9Å; A549-W623 HydrophobicContact CB-CH2 4.27Å; A549-W623 HydrophobicContact CB-CZ3 4.21Å; A549-W626 HydrophobicContact CB-CH2 4.33Å; A549-W626 HydrophobicContact CB-CZ3 4.18Å
550	L	86.4	Confident	86.5	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.016	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	116.2	169.4	-173.6	74.9	0	0	0	109.5	T493 V562 I1162 H1163	T493-L550 HydrophobicContact CG2-CD2 3.9Å; L550-V562 HydrophobicContact CD1-CB 4.16Å; L550-V562 HydrophobicContact CD1-CG2 3.99Å; L550-I1162 HydrophobicContact CD2-CD1 3.97Å; L550-H1163 PolarHBondContact N-NE2 3.38Å; L550-H1163 PolarHBondContact O-NE2 2.67Å
551	L	88.8	Confident	87.1	Confident	3 Å²	3	43.9 Å²	43.9	2%	0.016	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	97.6	176.8	-66.7	79.6	0	0	0	108.1	A549 S561 Y649 E653	A549-L551 HydrophobicContact CB-CD1 4.22Å; L551-S561 PolarHBondContact N-O 2.84Å; L551-S561 PolarHBondContact O-N 3.18Å; L551-S561 VanDerWaalsContact O-N 3.11Å; L551-Y649 HydrophobicContact CD2-CD1 3.54Å; L551-Y649 HydrophobicContact CD2-CD2 4.31Å; L551-Y649 HydrophobicContact CD2-CE1 4.18Å; L551-Y649 HydrophobicContact CD2-CG 3.6Å; L551-Y649 HydrophobicContact CG-CD1 3.96Å; L551-Y649 HydrophobicContact CG-CE1 4.08Å; L551-Y649 HydrophobicContact CG-CG 4.21Å; L551-E653 HydrophobicContact CD2-CG 4.47Å
552	D	82.3	Confident	87.3	Confident	20 Å²	20	41.4 Å²	41.4	11%	0.107	20%	0.201	C	C	.	.			trans	-57	151.6	-173.8	-76.1	-35	0	0	0	114.2	T554 R557 G1159 R1160	D552-T554 PolarHBondContact O-N 3.16Å; D552-R557 PolarHBondContact O-NH1 2.72Å; D552-G1159 VanDerWaalsContact CG-CA 3.44Å; D552-G1159 VanDerWaalsContact OD1-CA 3.3Å; D552-G1159 WeakPolarHBondContact OD1-CA 3.37Å; D552-G1159 PolarHBondContact OD1-N 3.14Å; D552-G1159 WeakPolarHBondContact OD2-CA 3.48Å; D552-G1159 PolarHBondContact OD2-N 3.47Å; D552-R1160 PolarHBondContact OD2-N 2.78Å
553	F	83.8	Confident	87.5	Confident	1 Å²	1	36.3 Å²	36.3	0%	0.004	17%	0.169	C	C	.	.			trans	-62.7	133.1	167.3	-177.5	-94	0	0	0	111.3	R559 M560 Y1150 I1152 Q1154	F553-R559 WeakPolarHBondContact CA-O 3.24Å; F553-M560 HydrophobicContact CB-CB 4.3Å; F553-M560 HydrophobicContact CB-CE 4.23Å; F553-Y1150 WeakPolarHBondContact CE2-OH 3.47Å; F553-I1152 HydrophobicContact CD2-CD1 4.38Å; F553-I1152 HydrophobicContact CD2-CG2 4.2Å; F553-I1152 HydrophobicContact CE1-CG2 3.96Å; F553-I1152 HydrophobicContact CE2-CD1 4.42Å; F553-I1152 HydrophobicContact CE2-CG2 3.32Å; F553-I1152 HydrophobicContact CZ-CG2 3.18Å; F553-Q1154 HydrophobicContact CB-CG 4.16Å; F553-Q1154 HydrophobicContact CD1-CB 3.64Å; F553-Q1154 HydrophobicContact CD1-CG 3.95Å; F553-Q1154 HydrophobicContact CE1-CB 4.09Å; F553-Q1154 VanDerWaalsContact CE1-O 3.23Å; F553-Q1154 WeakPolarHBondContact CE1-O 3.47Å; F553-Q1154 HydrophobicContact CG-CB 4.14Å; F553-Q1154 HydrophobicContact CG-CG 4.25Å
554	T	78.1	Confident	87.6	Confident	41 Å²	41	31.5 Å²	31.5	25%	0.252	15%	0.151	S	C	.	.			trans	-133.5	149.2	165.7	74.8	0	0	0	0	110.7	D552 K556 R557 R558	D552-T554 PolarHBondContact O-N 3.16Å; T554-K556 PolarHBondContact O-N 3.45Å; T554-K556 VanDerWaalsContact O-N 3.16Å; T554-R557 PolarHBondContact O-N 3.34Å; T554-R557 VanDerWaalsContact O-N 3.11Å; T554-R557 WeakPolarHBondContact OG1-CB 3.31Å; T554-R557 VanDerWaalsContact OG1-CG 3.29Å; T554-R557 WeakPolarHBondContact OG1-CG 3.45Å; T554-R557 PolarHBondContact OG1-N 3.42Å; T554-R557 VanDerWaalsContact OG1-N 3.16Å; T554-R558 PolarHBondContact O-N 3.37Å
555	S	74.6	Confident	87.6	Confident	64 Å²	64	29.9 Å²	29.9	45%	0.448	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.5	177.7	-71.4	0	0	0	0	113.4	R558	S555-R558 WeakPolarHBondContact O-CG 3.43Å
556	K	78.7	Confident	87.5	Confident	170 Å²	170	30.2 Å²	30.2	74%	0.739	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-45.9	174	-67.3	-178.4	-178.7	177.1	0	111.6	T554 E646	T554-K556 PolarHBondContact O-N 3.45Å; T554-K556 VanDerWaalsContact O-N 3.16Å; K556-E646 WeakPolarHBondContact CD-OE1 3.33Å; K556-E646 IonicContact NZ-OE1 3.1Å
557	R	85.5	Confident	87.1	Confident	14 Å²	14	30.8 Å²	30.8	5%	0.053	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-28.7	-175.9	-66.8	174.2	67.6	-143.1	1	113.8	D552 T554 R559 E653	D552-R557 PolarHBondContact O-NH1 2.72Å; T554-R557 PolarHBondContact O-N 3.34Å; T554-R557 VanDerWaalsContact O-N 3.11Å; T554-R557 WeakPolarHBondContact OG1-CB 3.31Å; T554-R557 VanDerWaalsContact OG1-CG 3.29Å; T554-R557 WeakPolarHBondContact OG1-CG 3.45Å; T554-R557 PolarHBondContact OG1-N 3.42Å; T554-R557 VanDerWaalsContact OG1-N 3.16Å; R557-R559 HydrophobicContact CB-CG 4.34Å; R557-R559 PolarHBondContact O-N 3.36Å; R557-R559 VanDerWaalsContact O-N 3.16Å; R557-R559 PolarHBondContact O-NH1 2.91Å; R557-E653 IonicContact CZ-OE1 3.72Å; R557-E653 IonicContact CZ-OE2 2.6Å; R557-E653 IonicContact NH2-OE1 2.72Å; R557-E653 PolarHBondContact NH2-OE1 3.3Å; R557-E653 IonicContact NH2-OE2 2.72Å; R557-E653 PolarHBondContact NH2-OE2 3.21Å
558	R	87.6	Confident	87	Confident	104 Å²	104	37.7 Å²	37.7	39%	0.392	18%	0.184	S	C	.	.			trans	54.2	27.7	-179.2	-54.8	-177.8	-176.6	-156.6	-0.2	114.6	T554 S555 G577 A578 V581 E695 Y1150	T554-R558 PolarHBondContact O-N 3.37Å; S555-R558 WeakPolarHBondContact O-CG 3.43Å; R558-G577 WeakPolarHBondContact O-CA 3.42Å; R558-A578 HydrophobicContact CB-CB 4.2Å; R558-A578 PolarHBondContact O-N 2.78Å; R558-V581 HydrophobicContact CB-CG2 4.1Å; R558-E695 IonicContact NH1-OE1 3.78Å; R558-Y1150 WeakPolarHBondContact CA-OH 3.45Å; R558-Y1150 HydrophobicContact CB-CE1 4.03Å; R558-Y1150 WeakPolarHBondContact CB-OH 3.37Å; R558-Y1150 HydrophobicContact CG-CE1 4.32Å; R558-Y1150 PolarHBondContact O-OH 2.93Å
559	R	91.2	Very high	86.7	Confident	10 Å²	10	38 Å²	38	4%	0.038	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	160.8	178.9	68.2	-169.4	179.2	-97.5	9.5	110.9	F553 R557 K576 V581 I582 D650 E653	F553-R559 WeakPolarHBondContact CA-O 3.24Å; R557-R559 HydrophobicContact CB-CG 4.34Å; R557-R559 PolarHBondContact O-N 3.36Å; R557-R559 VanDerWaalsContact O-N 3.16Å; R557-R559 PolarHBondContact O-NH1 2.91Å; R559-K576 CarbonylContact C-O 3.5Å; R559-K576 VanDerWaalsContact CA-O 3.28Å; R559-K576 WeakPolarHBondContact CA-O 3.31Å; R559-K576 WeakPolarHBondContact CB-O 3.49Å; R559-V581 HydrophobicContact CG-CG1 4.5Å; R559-I582 HydrophobicContact CB-CD1 4.39Å; R559-D650 IonicContact CZ-OD1 2.76Å; R559-D650 IonicContact NH2-OD1 4Å; R559-D650 PolarHBondContact NH2-OD1 3.37Å; R559-E653 IonicContact CZ-OE2 2.67Å; R559-E653 VanDerWaalsContact NE-CD 3.34Å; R559-E653 IonicContact NE-OE1 3.44Å; R559-E653 IonicContact NE-OE2 3.68Å; R559-E653 PolarHBondContact NE-OE2 3.47Å; R559-E653 IonicContact NH2-OE2 2.74Å; R559-E653 PolarHBondContact NH2-OE2 3.45Å
560	M	91.5	Very high	86.9	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	144.4	171.6	172.5	-174.4	-84.6	0	0	108.2	T493 E512 F553 C575 K576 Q1154	T493-M560 HydrophobicContact CG2-CE 3.71Å; E512-M560 WeakPolarHBondContact OE1-CE 3.38Å; F553-M560 HydrophobicContact CB-CB 4.3Å; F553-M560 HydrophobicContact CB-CE 4.23Å; M560-C575 WeakPolarHBondContact O-CA 3.49Å; M560-K576 HydrophobicContact CB-CG 4.38Å; M560-K576 PolarHBondContact N-O 2.91Å; M560-K576 PolarHBondContact O-N 3.49Å; M560-Q1154 VanDerWaalsContact CE-NE2 3.33Å
561	S	93.4	Very high	87.2	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	149.6	174.3	-52.3	0	0	0	0	111.7	L551 Y574 C575 E653	L551-S561 PolarHBondContact N-O 2.84Å; L551-S561 PolarHBondContact O-N 3.18Å; L551-S561 VanDerWaalsContact O-N 3.11Å; S561-Y574 CarbonylContact C-O 3.57Å; S561-Y574 WeakPolarHBondContact CA-O 3.49Å; S561-Y574 WeakPolarHBondContact CB-O 3.34Å; S561-C575 WeakPolarHBondContact OG-CB 3.38Å; S561-C575 PolarHBondContact OG-SG 3.21Å; S561-E653 VanDerWaalsContact CB-OE1 3.31Å; S561-E653 WeakPolarHBondContact CB-OE1 3.33Å; S561-E653 PolarHBondContact OG-OE1 2.83Å
562	V	92.8	Very high	87.4	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.4	171.6	72.2	0	0	0	0	109.1	L490 C491 L547 L550 V564 L573 Y574	L490-V562 HydrophobicContact CB-CG1 4.34Å; C491-V562 HydrophobicContact CB-CB 4.42Å; C491-V562 HydrophobicContact CB-CG1 3.64Å; L547-V562 HydrophobicContact CD1-CG2 3.27Å; L550-V562 HydrophobicContact CD1-CB 4.16Å; L550-V562 HydrophobicContact CD1-CG2 3.99Å; V562-V564 HydrophobicContact CG1-CG1 4.4Å; V562-V564 HydrophobicContact CG2-CG1 3.95Å; V562-L573 WeakPolarHBondContact O-CA 3.32Å; V562-Y574 HydrophobicContact CG1-CD2 4.42Å; V562-Y574 PolarHBondContact N-O 2.86Å; V562-Y574 PolarHBondContact O-N 3.43Å
563	L	92.6	Very high	88	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	121.2	172.9	-173.1	73	0	0	0	108.6	L548 A549 L573 V618 W623 M652	L548-L563 HydrophobicContact CB-CD2 4.14Å; L548-L563 HydrophobicContact CB-CG 4.3Å; L548-L563 HydrophobicContact CD1-CD2 4.31Å; L548-L563 HydrophobicContact CD1-CG 4.4Å; L548-L563 PolarHBondContact N-O 2.82Å; A549-L563 HydrophobicContact CB-CB 4.2Å; A549-L563 PolarHBondContact N-O 3.04Å; A549-L563 PolarHBondContact O-N 2.9Å; L563-L573 HydrophobicContact CB-CD1 3.95Å; L563-L573 HydrophobicContact CD1-CB 3.88Å; L563-L573 HydrophobicContact CD1-CD1 4.01Å; L563-V618 HydrophobicContact CD1-CB 4.28Å; L563-V618 HydrophobicContact CD1-CG2 3.83Å; L563-W623 HydrophobicContact CD2-CD2 3.87Å; L563-W623 HydrophobicContact CD2-CE3 3.14Å; L563-W623 HydrophobicContact CD2-CH2 4.09Å; L563-W623 HydrophobicContact CD2-CZ3 3.26Å; L563-M652 HydrophobicContact CD1-CE 4.48Å; L563-M652 HydrophobicContact CD2-CE 4.31Å
564	V	93.3	Very high	88.6	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	151	-179.4	-61.7	0	0	0	0	110.9	L490 Y545 Q546 L547 V562 K572 Y574	L490-V564 HydrophobicContact CD1-CG2 4.34Å; Y545-V564 HydrophobicContact CD1-CG2 4.22Å; Q546-V564 CarbonylContact O-C 3.59Å; Q546-V564 WeakPolarHBondContact O-CA 3.33Å; L547-V564 HydrophobicContact CD1-CG1 4.32Å; V562-V564 HydrophobicContact CG1-CG1 4.4Å; V562-V564 HydrophobicContact CG2-CG1 3.95Å; V564-K572 PolarHBondContact N-O 2.95Å; V564-K572 PolarHBondContact O-N 2.94Å; V564-Y574 HydrophobicContact CG2-CD2 3.94Å; V564-Y574 HydrophobicContact CG2-CE2 3.75Å
565	R	92.6	Very high	89.4	Confident	72 Å²	72	38.5 Å²	38.5	27%	0.272	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	122.4	162.4	-168.2	179.8	-79.1	158.8	-11.5	108.5	Q546 L548 L571 E620	Q546-R565 HydrophobicContact CB-CB 4.05Å; Q546-R565 PolarHBondContact N-O 3.36Å; Q546-R565 PolarHBondContact O-N 2.77Å; L548-R565 HydrophobicContact CD1-CB 4.28Å; R565-L571 HydrophobicContact CB-CD2 4.07Å; R565-L571 HydrophobicContact CG-CD2 4.33Å; R565-E620 IonicContact CZ-OE1 3.3Å; R565-E620 IonicContact NH2-OE1 2.69Å; R565-E620 PolarHBondContact NH2-OE1 2.96Å
566	D	88.6	Confident	90.3	Very high	14 Å²	14	35.9 Å²	35.9	8%	0.075	18%	0.183	C	C	.	.			trans	-69	160.7	178.3	-73	-5.1	0	0	0	111.3	Y545 E568 G569 G570 K572	Y545-D566 WeakPolarHBondContact CD1-OD1 3.46Å; Y545-D566 HydrophobicContact CE1-CB 4.4Å; Y545-D566 VanDerWaalsContact CE1-OD1 3.23Å; Y545-D566 WeakPolarHBondContact CE1-OD1 3.31Å; D566-E568 PolarHBondContact O-N 2.95Å; D566-E568 VanDerWaalsContact O-N 3.11Å; D566-G569 PolarHBondContact O-N 3.05Å; D566-G570 PolarHBondContact N-O 2.87Å; D566-K572 WeakPolarHBondContact OD2-CD 3.27Å; D566-K572 WeakPolarHBondContact OD2-CE 3.34Å; D566-K572 IonicContact OD2-NZ 3.37Å; D566-K572 PolarHBondContact OD2-NZ 3.39Å
567	P	85	Confident	91	Very high	76 Å²	76	27.9 Å²	27.9	49%	0.494	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-26.3	171.7	-22.7	31.1	0	0	0	113.7	R543 G569	R543-P567 HydrophobicContact CB-CG 4.23Å; P567-G569 PolarHBondContact O-N 2.87Å
568	E	84.8	Confident	91.2	Very high	159 Å²	159	27.3 Å²	27.3	74%	0.743	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-0.4	177.3	-63.6	174.1	-172.4	0	0	112.9	D566 G570	D566-E568 PolarHBondContact O-N 2.95Å; D566-E568 VanDerWaalsContact O-N 3.11Å; E568-G570 VanDerWaalsContact C-N 3.34Å
569	G	83.6	Confident	91.2	Very high	42 Å²	42	22.6 Å²	22.6	43%	0.433	13%	0.129	S	C	.	.	S	Bend	trans	87.3	-6.9	178.9	0	0	0	0	0	115	D566 P567	D566-G569 PolarHBondContact O-N 3.05Å; P567-G569 PolarHBondContact O-N 2.87Å
570	G	89.1	Confident	91.1	Very high	31 Å²	31	26 Å²	26	32%	0.32	15%	0.15	S	C	.	.			trans	-73	136.1	178.2	0	0	0	0	0	113.3	D566 E568	D566-G570 PolarHBondContact N-O 2.87Å; E568-G570 VanDerWaalsContact C-N 3.34Å
571	L	93.3	Very high	91	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	120.6	172.1	-73.8	174.8	0	0	0	111.2	L548 R565 V618 E620 W623	L548-L571 HydrophobicContact CD1-CD2 3.14Å; R565-L571 HydrophobicContact CB-CD2 4.07Å; R565-L571 HydrophobicContact CG-CD2 4.33Å; L571-V618 HydrophobicContact CB-CB 4.16Å; L571-V618 WeakPolarHBondContact CB-O 3.13Å; L571-V618 PolarHBondContact O-N 2.94Å; L571-E620 HydrophobicContact CD1-CB 4.5Å; L571-E620 VanDerWaalsContact CD1-CD 3.47Å; L571-E620 HydrophobicContact CD1-CG 4.49Å; L571-E620 WeakPolarHBondContact CD1-OE2 3.35Å; L571-E620 WeakPolarHBondContact CG-OE2 3.23Å; L571-W623 HydrophobicContact CD1-CB 3.82Å; L571-W623 HydrophobicContact CD1-CG 4.18Å
572	K	93.8	Very high	91	Very high	41 Å²	41	26.8 Å²	26.8	18%	0.178	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	131.6	178	-67.5	-177	-173.2	153.5	0	111.2	V564 D566 Y574 V615 R616	V564-K572 PolarHBondContact N-O 2.95Å; V564-K572 PolarHBondContact O-N 2.94Å; D566-K572 WeakPolarHBondContact OD2-CD 3.27Å; D566-K572 WeakPolarHBondContact OD2-CE 3.34Å; D566-K572 IonicContact OD2-NZ 3.37Å; D566-K572 PolarHBondContact OD2-NZ 3.39Å; K572-Y574 HydrophobicContact CB-CD2 4.47Å; K572-Y574 HydrophobicContact CB-CE2 3.9Å; K572-V615 HydrophobicContact CB-CG2 4.49Å; K572-R616 WeakPolarHBondContact CA-O 3.41Å
573	L	94.7	Very high	90.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	115.4	169.1	-176	76.5	0	0	0	108.3	V562 L563 V615 R616 V618 M652 E653 L656	V562-L573 WeakPolarHBondContact O-CA 3.32Å; L563-L573 HydrophobicContact CB-CD1 3.95Å; L563-L573 HydrophobicContact CD1-CB 3.88Å; L563-L573 HydrophobicContact CD1-CD1 4.01Å; L573-V615 CarbonylContact O-C 3.58Å; L573-V615 VanDerWaalsContact O-CA 3.31Å; L573-V615 WeakPolarHBondContact O-CA 3.23Å; L573-R616 HydrophobicContact CB-CB 4.38Å; L573-R616 PolarHBondContact N-O 2.94Å; L573-R616 PolarHBondContact O-N 2.89Å; L573-V618 HydrophobicContact CB-CG2 3.87Å; L573-M652 HydrophobicContact CD2-CB 4.47Å; L573-M652 VanDerWaalsContact CD2-O 3.25Å; L573-M652 WeakPolarHBondContact CD2-O 3.27Å; L573-E653 HydrophobicContact CD2-CG 4.24Å; L573-L656 HydrophobicContact CD2-CD2 4.38Å
574	Y	95.6	Very high	90.8	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.016	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	131.1	170.8	-66	-77.6	0	0	0	109.2	A487 L490 S561 V562 V564 K572 V615	A487-Y574 HydrophobicContact CB-CD1 3.39Å; A487-Y574 HydrophobicContact CB-CE1 3.95Å; A487-Y574 HydrophobicContact CB-CG 4.07Å; L490-Y574 HydrophobicContact CD1-CD2 4.24Å; L490-Y574 HydrophobicContact CD1-CE2 3.82Å; S561-Y574 CarbonylContact C-O 3.57Å; S561-Y574 WeakPolarHBondContact CA-O 3.49Å; S561-Y574 WeakPolarHBondContact CB-O 3.34Å; V562-Y574 HydrophobicContact CG1-CD2 4.42Å; V562-Y574 PolarHBondContact N-O 2.86Å; V562-Y574 PolarHBondContact O-N 3.43Å; V564-Y574 HydrophobicContact CG2-CD2 3.94Å; V564-Y574 HydrophobicContact CG2-CE2 3.75Å; K572-Y574 HydrophobicContact CB-CD2 4.47Å; K572-Y574 HydrophobicContact CB-CE2 3.9Å; Y574-V615 HydrophobicContact CD1-CB 4.1Å; Y574-V615 HydrophobicContact CD1-CG2 3.71Å; Y574-V615 HydrophobicContact CE1-CB 4.25Å; Y574-V615 HydrophobicContact CE1-CG2 3.62Å; Y574-V615 HydrophobicContact CG-CG2 4.46Å
575	C	95	Very high	90.8	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.007	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	134.1	-178.9	-172.9	0	0	0	0	110.2	M560 S561 I582 A614 L656	M560-C575 WeakPolarHBondContact O-CA 3.49Å; S561-C575 WeakPolarHBondContact OG-CB 3.38Å; S561-C575 PolarHBondContact OG-SG 3.21Å; C575-I582 WeakPolarHBondContact SG-CD1 3.42Å; C575-A614 PolarHBondContact N-O 3.27Å; C575-A614 PolarHBondContact O-N 3.25Å; C575-A614 VanDerWaalsContact O-O 3.13Å; C575-L656 HydrophobicContact CB-CD1 4.12Å; C575-L656 HydrophobicContact CB-CD2 4.27Å
576	K	94.4	Very high	90.8	Very high	9 Å²	9	34.1 Å²	34.1	4%	0.039	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	137	171.8	70.7	-176.9	-174.2	-175.8	0	110.5	C491 E512 R559 M560 C612 V613	C491-K576 WeakPolarHBondContact O-CD 3.13Å; C491-K576 WeakPolarHBondContact O-CE 3.48Å; C491-K576 PolarHBondContact O-NZ 3.01Å; E512-K576 WeakPolarHBondContact OE1-CE 3.3Å; E512-K576 IonicContact OE1-NZ 2.64Å; E512-K576 PolarHBondContact OE1-NZ 3.21Å; R559-K576 CarbonylContact C-O 3.5Å; R559-K576 VanDerWaalsContact CA-O 3.28Å; R559-K576 WeakPolarHBondContact CA-O 3.31Å; R559-K576 WeakPolarHBondContact CB-O 3.49Å; M560-K576 HydrophobicContact CB-CG 4.38Å; M560-K576 PolarHBondContact N-O 2.91Å; M560-K576 PolarHBondContact O-N 3.49Å; K576-C612 VanDerWaalsContact CA-O 3.31Å; K576-C612 WeakPolarHBondContact CA-O 3.45Å; K576-V613 HydrophobicContact CB-CG2 4.46Å
577	G	92.2	Very high	91	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	-168.5	-176.7	0	0	0	0	0	115.5	R558 C612	R558-G577 WeakPolarHBondContact O-CA 3.42Å; G577-C612 PolarHBondContact N-O 3Å; G577-C612 PolarHBondContact O-N 2.68Å
578	A	89.6	Confident	90.8	Very high	2 Å²	2	43.9 Å²	43.9	2%	0.017	23%	0.228	C	C	.	.			trans	-62.5	144.8	177.2	0	0	0	0	0	112.6	R558 V580 V581 I582 Y1150	R558-A578 HydrophobicContact CB-CB 4.2Å; R558-A578 PolarHBondContact O-N 2.78Å; A578-V580 PolarHBondContact O-N 3.49Å; A578-V581 HydrophobicContact CB-CB 4.17Å; A578-V581 HydrophobicContact CB-CG2 4.04Å; A578-V581 PolarHBondContact O-N 3.03Å; A578-V581 VanDerWaalsContact O-N 3.17Å; A578-I582 WeakPolarHBondContact O-CB 3.22Å; A578-I582 VanDerWaalsContact O-CG1 3.3Å; A578-I582 WeakPolarHBondContact O-CG1 3.23Å; A578-I582 PolarHBondContact O-N 3.42Å; A578-Y1150 VanDerWaalsContact CA-CE2 3.43Å; A578-Y1150 HydrophobicContact CB-CD1 3.5Å; A578-Y1150 HydrophobicContact CB-CD2 3.48Å; A578-Y1150 VanDerWaalsContact CB-CD2 3.48Å; A578-Y1150 HydrophobicContact CB-CE1 3.64Å; A578-Y1150 HydrophobicContact CB-CE2 3.57Å; A578-Y1150 HydrophobicContact CB-CG 3.38Å
579	D	89	Confident	90.6	Very high	6 Å²	6	44 Å²	44	3%	0.032	23%	0.233	C	C	.	.	H	α-helix	trans	-53.4	-51.9	173.9	55.1	-11	0	0	0	112	V581 I582 L583 L600 C612 S1148	D579-V581 PolarHBondContact O-N 3.12Å; D579-I582 PolarHBondContact O-N 3.14Å; D579-L583 HydrophobicContact CB-CD1 4.33Å; D579-L583 WeakPolarHBondContact O-CB 3.35Å; D579-L583 WeakPolarHBondContact O-CD1 3.3Å; D579-L583 WeakPolarHBondContact O-CG 3.43Å; D579-L583 PolarHBondContact O-N 3.05Å; D579-L600 HydrophobicContact CB-CD1 4Å; D579-L600 HydrophobicContact CB-CD2 4.17Å; D579-C612 VanDerWaalsContact CA-SG 3.58Å; D579-S1148 VanDerWaalsContact CG-OG 3.28Å; D579-S1148 WeakPolarHBondContact OD1-CB 3.38Å; D579-S1148 PolarHBondContact OD1-OG 2.91Å; D579-S1148 WeakPolarHBondContact OD2-CB 3.44Å; D579-S1148 PolarHBondContact OD2-OG 2.7Å
580	V	87.5	Confident	90.5	Very high	80 Å²	80	42.5 Å²	42.5	49%	0.485	22%	0.216	S	C	.	.	H	α-helix	trans	-58	-37.8	179.5	-173.4	0	0	0	0	112	A578 E584	A578-V580 PolarHBondContact O-N 3.49Å; V580-E584 VanDerWaalsContact O-CG 3.24Å; V580-E584 WeakPolarHBondContact O-CG 3.22Å
581	V	90.8	Very high	90.2	Very high	18 Å²	18	44.2 Å²	44.2	11%	0.109	22%	0.222	C	C	.	.	H	α-helix	trans	-81.5	-39.5	-174.7	176.9	0	0	0	0	112.3	R558 R559 A578 D579 R585	R558-V581 HydrophobicContact CB-CG2 4.1Å; R559-V581 HydrophobicContact CG-CG1 4.5Å; A578-V581 HydrophobicContact CB-CB 4.17Å; A578-V581 HydrophobicContact CB-CG2 4.04Å; A578-V581 PolarHBondContact O-N 3.03Å; A578-V581 VanDerWaalsContact O-N 3.17Å; D579-V581 PolarHBondContact O-N 3.12Å; V581-R585 PolarHBondContact O-NH1 2.85Å
582	I	92.3	Very high	89.7	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-74.8	-42.7	-179.6	-62.7	-63.5	0	0	0	110.1	R559 C575 A578 D579 E584 R585 L586 C612 A614 L656 L658	R559-I582 HydrophobicContact CB-CD1 4.39Å; C575-I582 WeakPolarHBondContact SG-CD1 3.42Å; A578-I582 WeakPolarHBondContact O-CB 3.22Å; A578-I582 VanDerWaalsContact O-CG1 3.3Å; A578-I582 WeakPolarHBondContact O-CG1 3.23Å; A578-I582 PolarHBondContact O-N 3.42Å; D579-I582 PolarHBondContact O-N 3.14Å; I582-E584 VanDerWaalsContact C-N 3.29Å; I582-E584 PolarHBondContact O-N 2.85Å; I582-R585 PolarHBondContact O-N 3.45Å; I582-L586 HydrophobicContact CG2-CD2 4.19Å; I582-L586 WeakPolarHBondContact O-CG 3.47Å; I582-L586 PolarHBondContact O-N 3.44Å; I582-C612 HydrophobicContact CB-CB 3.87Å; I582-C612 HydrophobicContact CG1-CB 4.02Å; I582-C612 HydrophobicContact CG2-CB 3.88Å; I582-A614 HydrophobicContact CG2-CB 3.98Å; I582-L656 HydrophobicContact CD1-CD1 4.34Å; I582-L658 HydrophobicContact CG2-CD1 4.49Å
583	L	90.4	Very high	89.4	Confident	31 Å²	31	49.5 Å²	49.5	16%	0.162	25%	0.247	C	C	.	.	H	α-helix	trans	-59.8	-37.5	-179.8	-69.1	171.9	0	0	0	112.3	D579 R585 L586 E597	D579-L583 HydrophobicContact CB-CD1 4.33Å; D579-L583 WeakPolarHBondContact O-CB 3.35Å; D579-L583 WeakPolarHBondContact O-CD1 3.3Å; D579-L583 WeakPolarHBondContact O-CG 3.43Å; D579-L583 PolarHBondContact O-N 3.05Å; L583-R585 PolarHBondContact O-N 3.13Å; L583-L586 HydrophobicContact CD2-CD1 3.71Å; L583-L586 PolarHBondContact O-N 2.96Å; L583-E597 HydrophobicContact CD1-CG 4.49Å; L583-E597 HydrophobicContact CD2-CG 4.44Å
584	E	91.3	Very high	89	Confident	139 Å²	139	57.4 Å²	57.4	65%	0.65	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.5	174.6	-76.1	173	-179.9	0	0	114.2	V580 I582	V580-E584 VanDerWaalsContact O-CG 3.24Å; V580-E584 WeakPolarHBondContact O-CG 3.22Å; I582-E584 VanDerWaalsContact C-N 3.29Å; I582-E584 PolarHBondContact O-N 2.85Å
585	R	92.9	Very high	88.7	Confident	40 Å²	40	60 Å²	60	15%	0.151	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	5.1	-173.8	-73.1	170.2	-178.6	65.8	7.7	113.1	V581 I582 L583 D650 E653 D655 L656	V581-R585 PolarHBondContact O-NH1 2.85Å; I582-R585 PolarHBondContact O-N 3.45Å; L583-R585 PolarHBondContact O-N 3.13Å; R585-D650 IonicContact CZ-OD1 3.67Å; R585-D650 IonicContact NE-OD1 3.63Å; R585-D650 PolarHBondContact NE-OD1 2.8Å; R585-D650 IonicContact NH2-OD1 2.81Å; R585-D650 PolarHBondContact NH2-OD1 3.48Å; R585-E653 WeakPolarHBondContact CB-O 3.38Å; R585-D655 PolarHBondContact O-N 3.29Å; R585-D655 VanDerWaalsContact O-N 3.08Å; R585-L656 HydrophobicContact CB-CD1 4.1Å; R585-L656 PolarHBondContact O-N 3.44Å
586	L	93	Very high	88.4	Confident	19 Å²	19	60.1 Å²	60.1	10%	0.099	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-73.7	156.5	176.4	-67.1	-175.7	0	0	0	112	I582 L583 C590 L656 L658	I582-L586 HydrophobicContact CG2-CD2 4.19Å; I582-L586 WeakPolarHBondContact O-CG 3.47Å; I582-L586 PolarHBondContact O-N 3.44Å; L583-L586 HydrophobicContact CD2-CD1 3.71Å; L583-L586 PolarHBondContact O-N 2.96Å; L586-C590 HydrophobicContact CD1-CB 4.47Å; L586-L656 WeakPolarHBondContact CA-O 3.41Å; L586-L656 HydrophobicContact CD2-CB 4.14Å; L586-L656 WeakPolarHBondContact CD2-O 2.98Å; L586-L658 HydrophobicContact CD1-CB 4Å; L586-L658 HydrophobicContact CD1-CD2 4.14Å; L586-L658 HydrophobicContact CD1-CG 4.5Å; L586-L658 HydrophobicContact CD2-CB 3.85Å
587	Q	91.8	Very high	88.1	Confident	85 Å²	85	62.3 Å²	62.3	40%	0.397	31%	0.314	S	S	.	.			trans	-64.3	145.1	168.1	-61.2	176.8	4.1	0	0	110.6	N589 C590 D655 L656	Q587-N589 PolarHBondContact O-N 3.31Å; Q587-C590 PolarHBondContact O-N 3.16Å; Q587-C590 PolarHBondContact O-SG 2.67Å; Q587-C590 VanDerWaalsContact O-SG 3.39Å; Q587-D655 HydrophobicContact CG-CB 3.97Å; Q587-D655 WeakPolarHBondContact CG-O 3.24Å; Q587-D655 PolarHBondContact NE2-O 3.16Å; Q587-L656 PolarHBondContact N-O 3.13Å; Q587-L656 VanDerWaalsContact N-O 3.07Å
588	K	82.1	Confident	87.9	Confident	210 Å²	210	68.1 Å²	68.1	91%	0.913	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-15.5	-172.1	-69.8	-176.3	178.3	179.2	0	116.1
589	N	80.4	Confident	87.9	Confident	160 Å²	160	68 Å²	68	86%	0.856	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.9	57.9	177.1	-71.8	-20.4	0	0	0	110.7	Q587	Q587-N589 PolarHBondContact O-N 3.31Å
590	C	81	Confident	87.9	Confident	12 Å²	12	67.9 Å²	67.9	8%	0.081	34%	0.34	C	S	.	.			trans	-71.6	132.8	178.8	-86.6	0	0	0	0	112	L586 Q587	L586-C590 HydrophobicContact CD1-CB 4.47Å; Q587-C590 PolarHBondContact O-N 3.16Å; Q587-C590 PolarHBondContact O-SG 2.67Å; Q587-C590 VanDerWaalsContact O-SG 3.39Å
591	P	83	Confident	87.8	Confident	67 Å²	67	68.3 Å²	68.3	44%	0.435	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	146.2	174.2	28.4	-34	0	0	0	110.8	Q593 L657	P591-Q593 PolarHBondContact O-N 3.43Å; P591-Q593 VanDerWaalsContact O-N 3.13Å; P591-L657 HydrophobicContact CG-CD1 4.01Å
592	H	83.7	Confident	87.6	Confident	98 Å²	98	71 Å²	71	45%	0.454	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	15.5	175.9	-47.8	-68.2	0	0	0	116.2	A426 T596	A426-H592 PolarHBondContact O-ND1 3.45Å; H592-T596 WeakPolarHBondContact O-CB 3.17Å; H592-T596 PolarHBondContact O-N 3.2Å; H592-T596 PolarHBondContact O-OG1 3Å
593	Q	85.9	Confident	87.5	Confident	57 Å²	57	71 Å²	71	27%	0.266	35%	0.351	S	S	.	.	H	α-helix	trans	-58.7	-53.7	179.6	-177.4	176.2	-13.2	0	0	111.8	P591 S595 T596 E597	P591-Q593 PolarHBondContact O-N 3.43Å; P591-Q593 VanDerWaalsContact O-N 3.13Å; Q593-S595 PolarHBondContact O-N 3.44Å; Q593-T596 CarbonylContact O-C 3.55Å; Q593-T596 PolarHBondContact O-N 2.95Å; Q593-E597 HydrophobicContact CG-CG 4.32Å; Q593-E597 WeakPolarHBondContact CG-OE1 3.42Å; Q593-E597 PolarHBondContact NE2-OE1 3.29Å; Q593-E597 WeakPolarHBondContact O-CG 3.49Å; Q593-E597 PolarHBondContact O-N 3.1Å
594	E	86.8	Confident	87.1	Confident	167 Å²	167	69.8 Å²	69.8	78%	0.78	34%	0.344	S	S	*	.	H	α-helix	trans	-57.6	-46.9	-178.8	-66.7	-178.8	174.8	0	0	112.8	T596 E597 M598	E594-T596 VanDerWaalsContact C-N 3.25Å; E594-T596 PolarHBondContact O-N 3.4Å; E594-E597 PolarHBondContact O-N 3.35Å; E594-M598 PolarHBondContact O-N 3.28Å
595	S	89.1	Confident	86.7	Confident	59 Å²	59	70 Å²	70	41%	0.413	35%	0.345	S	S	.	.	H	α-helix	trans	-61.9	-35.6	177.3	-48.8	0	0	0	0	112.1	Q593 A599	Q593-S595 PolarHBondContact O-N 3.44Å; S595-A599 PolarHBondContact O-N 3.42Å
596	T	88.9	Confident	86.2	Confident	3 Å²	3	68.9 Å²	68.9	2%	0.018	35%	0.345	C	S	.	.	H	α-helix	trans	-75.2	-34.1	178.2	-52.5	0	0	0	0	111.9	H592 Q593 E594 A599 L600 L658 V661	H592-T596 WeakPolarHBondContact O-CB 3.17Å; H592-T596 PolarHBondContact O-N 3.2Å; H592-T596 PolarHBondContact O-OG1 3Å; Q593-T596 CarbonylContact O-C 3.55Å; Q593-T596 PolarHBondContact O-N 2.95Å; E594-T596 VanDerWaalsContact C-N 3.25Å; E594-T596 PolarHBondContact O-N 3.4Å; T596-A599 PolarHBondContact O-N 3Å; T596-L600 WeakPolarHBondContact O-CG 3.36Å; T596-L600 PolarHBondContact O-N 2.87Å; T596-L658 HydrophobicContact CG2-CD2 3.77Å; T596-V661 HydrophobicContact CG2-CB 4.28Å; T596-V661 HydrophobicContact CG2-CG2 3.32Å
597	E	88.4	Confident	85.8	Confident	55 Å²	55	69.1 Å²	69.1	26%	0.257	35%	0.348	S	S	.	.	H	α-helix	trans	-66.1	-42.1	173.2	-69.7	-174.6	-173.2	0	0	111.9	L583 Q593 E594 A599 L600 E601 R1146	L583-E597 HydrophobicContact CD1-CG 4.49Å; L583-E597 HydrophobicContact CD2-CG 4.44Å; Q593-E597 HydrophobicContact CG-CG 4.32Å; Q593-E597 WeakPolarHBondContact CG-OE1 3.42Å; Q593-E597 PolarHBondContact NE2-OE1 3.29Å; Q593-E597 WeakPolarHBondContact O-CG 3.49Å; Q593-E597 PolarHBondContact O-N 3.1Å; E594-E597 PolarHBondContact O-N 3.35Å; E597-A599 VanDerWaalsContact C-N 3.33Å; E597-A599 PolarHBondContact O-N 2.92Å; E597-L600 WeakPolarHBondContact O-CB 3.11Å; E597-L600 PolarHBondContact O-N 3.48Å; E597-E601 PolarHBondContact O-N 3.42Å; E597-E601 VanDerWaalsContact O-N 3.14Å; E597-R1146 IonicContact OE1-NH1 3.03Å; E597-R1146 IonicContact OE2-NH1 2.78Å; E597-R1146 PolarHBondContact OE2-NH1 2.88Å
598	M	88.8	Confident	85.6	Confident	122 Å²	122	65.1 Å²	65.1	60%	0.601	33%	0.33	S	S	*	.	H	α-helix	trans	-60.9	-41.4	171.7	-173	-177.4	-179.5	0	0	111.6	E594 L600 E601 L602	E594-M598 PolarHBondContact O-N 3.28Å; M598-L600 VanDerWaalsContact C-N 3.32Å; M598-L600 PolarHBondContact O-N 3.21Å; M598-E601 PolarHBondContact O-N 3.49Å; M598-L602 WeakPolarHBondContact O-CG 3.23Å; M598-L602 PolarHBondContact O-N 3.42Å; M598-L602 VanDerWaalsContact O-N 3.12Å
599	A	89.3	Confident	85.8	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.6	-38.3	175.1	0	0	0	0	0	112.5	C424 I429 S595 T596 E597 E601 L602 F603	C424-A599 HydrophobicContact CB-CB 3.76Å; I429-A599 HydrophobicContact CD1-CB 3.75Å; I429-A599 HydrophobicContact CG1-CB 3.83Å; S595-A599 PolarHBondContact O-N 3.42Å; T596-A599 PolarHBondContact O-N 3Å; E597-A599 VanDerWaalsContact C-N 3.33Å; E597-A599 PolarHBondContact O-N 2.92Å; A599-E601 VanDerWaalsContact C-N 3.32Å; A599-E601 PolarHBondContact O-N 2.66Å; A599-L602 PolarHBondContact O-N 3.27Å; A599-F603 HydrophobicContact CB-CE2 4.19Å; A599-F603 HydrophobicContact CB-CZ 4.38Å; A599-F603 WeakPolarHBondContact O-CB 3.33Å; A599-F603 VanDerWaalsContact O-CD2 3.24Å; A599-F603 WeakPolarHBondContact O-CD2 3.45Å; A599-F603 WeakPolarHBondContact O-CG 3.23Å; A599-F603 PolarHBondContact O-N 2.61Å
600	L	89.1	Confident	86.3	Confident	4 Å²	4	48.1 Å²	48.1	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-62.8	-37.8	176	-80.2	161.5	0	0	0	112.3	D579 T596 E597 M598 A604 T610 V661	D579-L600 HydrophobicContact CB-CD1 4Å; D579-L600 HydrophobicContact CB-CD2 4.17Å; T596-L600 WeakPolarHBondContact O-CG 3.36Å; T596-L600 PolarHBondContact O-N 2.87Å; E597-L600 WeakPolarHBondContact O-CB 3.11Å; E597-L600 PolarHBondContact O-N 3.48Å; M598-L600 VanDerWaalsContact C-N 3.32Å; M598-L600 PolarHBondContact O-N 3.21Å; L600-A604 WeakPolarHBondContact O-CB 3.48Å; L600-A604 PolarHBondContact O-N 3.45Å; L600-T610 HydrophobicContact CD2-CG2 3.91Å; L600-V661 HydrophobicContact CD1-CG2 3.97Å; L600-V661 HydrophobicContact CD2-CB 4.39Å; L600-V661 HydrophobicContact CD2-CG1 3.53Å; L600-V661 HydrophobicContact CD2-CG2 3.96Å; L600-V661 HydrophobicContact CG-CG1 4.12Å; L600-V661 HydrophobicContact CG-CG2 3.89Å
601	E	85.7	Confident	86.9	Confident	88 Å²	88	47.7 Å²	47.7	41%	0.411	24%	0.244	S	C	.	.	H	α-helix	trans	-65.9	-47	175.1	-70.3	179.8	173.7	0	0	111.6	E597 M598 A599 F603 A604 E605 R1146	E597-E601 PolarHBondContact O-N 3.42Å; E597-E601 VanDerWaalsContact O-N 3.14Å; M598-E601 PolarHBondContact O-N 3.49Å; A599-E601 VanDerWaalsContact C-N 3.32Å; A599-E601 PolarHBondContact O-N 2.66Å; E601-F603 PolarHBondContact O-N 2.82Å; E601-A604 WeakPolarHBondContact O-CB 3.39Å; E601-A604 PolarHBondContact O-N 3.04Å; E601-A604 VanDerWaalsContact O-N 3.09Å; E601-E605 WeakPolarHBondContact O-CG 3.42Å; E601-E605 PolarHBondContact O-N 3.32Å; E601-R1146 HydrophobicContact CG-CG 4.11Å
602	L	86.6	Confident	87.4	Confident	74 Å²	74	44.5 Å²	44.5	39%	0.387	22%	0.224	S	C	.	.	H	α-helix	trans	-60.3	-43.1	176.6	-68.7	171.2	0	0	0	112.3	I429 M598 A599 A604 E605 A606	I429-L602 HydrophobicContact CD1-CD1 3.91Å; M598-L602 WeakPolarHBondContact O-CG 3.23Å; M598-L602 PolarHBondContact O-N 3.42Å; M598-L602 VanDerWaalsContact O-N 3.12Å; A599-L602 PolarHBondContact O-N 3.27Å; L602-A604 VanDerWaalsContact C-N 3.27Å; L602-A604 PolarHBondContact O-N 3.09Å; L602-E605 PolarHBondContact O-N 2.81Å; L602-A606 PolarHBondContact O-N 3.41Å
603	F	88.7	Confident	88	Confident	2 Å²	2	40 Å²	40	1%	0.009	20%	0.203	C	C	.	.	H	α-helix	trans	-65.4	-32.9	176.2	-62.8	-24	0	0	0	112.2	Q422 C424 I429 A599 E601 A606 C607 L608 T610 V661 A663	Q422-F603 HydrophobicContact CB-CD1 4.29Å; Q422-F603 HydrophobicContact CB-CE1 3.6Å; Q422-F603 HydrophobicContact CB-CZ 3.97Å; Q422-F603 HydrophobicContact CG-CE1 4.35Å; C424-F603 HydrophobicContact CB-CE2 4.11Å; C424-F603 HydrophobicContact CB-CZ 4.24Å; I429-F603 HydrophobicContact CG2-CE1 3.97Å; I429-F603 HydrophobicContact CG2-CZ 4.03Å; A599-F603 HydrophobicContact CB-CE2 4.19Å; A599-F603 HydrophobicContact CB-CZ 4.38Å; A599-F603 WeakPolarHBondContact O-CB 3.33Å; A599-F603 VanDerWaalsContact O-CD2 3.24Å; A599-F603 WeakPolarHBondContact O-CD2 3.45Å; A599-F603 WeakPolarHBondContact O-CG 3.23Å; A599-F603 PolarHBondContact O-N 2.61Å; E601-F603 PolarHBondContact O-N 2.82Å; F603-A606 CarbonylContact O-C 3.35Å; F603-A606 PolarHBondContact O-N 3.12Å; F603-C607 PolarHBondContact O-N 3.27Å; F603-L608 HydrophobicContact CB-CB 4.41Å; F603-L608 HydrophobicContact CD1-CD1 4.34Å; F603-L608 PolarHBondContact O-N 3.17Å; F603-T610 HydrophobicContact CB-CG2 3.54Å; F603-T610 HydrophobicContact CD2-CG2 4.04Å; F603-T610 HydrophobicContact CG-CG2 4.28Å; F603-V661 HydrophobicContact CD2-CG1 3.98Å; F603-V661 HydrophobicContact CE2-CB 4.49Å; F603-V661 HydrophobicContact CE2-CG1 4.03Å; F603-A663 HydrophobicContact CB-CB 4.22Å; F603-A663 HydrophobicContact CD1-CB 4.03Å; F603-A663 HydrophobicContact CD2-CB 3.69Å; F603-A663 HydrophobicContact CE1-CB 4.32Å; F603-A663 HydrophobicContact CE2-CB 3.98Å; F603-A663 HydrophobicContact CG-CB 3.72Å; F603-A663 HydrophobicContact CZ-CB 4.29Å
604	A	83.6	Confident	88.4	Confident	4 Å²	4	37.2 Å²	37.2	3%	0.033	19%	0.19	C	C	.	.	H	α-helix	trans	-69.6	-38.5	175.5	0	0	0	0	0	112.7	L600 E601 L602 A606 C607 R1147 S1149	L600-A604 WeakPolarHBondContact O-CB 3.48Å; L600-A604 PolarHBondContact O-N 3.45Å; E601-A604 WeakPolarHBondContact O-CB 3.39Å; E601-A604 PolarHBondContact O-N 3.04Å; E601-A604 VanDerWaalsContact O-N 3.09Å; L602-A604 VanDerWaalsContact C-N 3.27Å; L602-A604 PolarHBondContact O-N 3.09Å; A604-A606 VanDerWaalsContact C-N 3.34Å; A604-C607 PolarHBondContact O-N 3.44Å; A604-C607 VanDerWaalsContact O-N 3.07Å; A604-R1147 WeakPolarHBondContact CB-O 3.5Å; A604-S1149 WeakPolarHBondContact CA-OG 3.46Å; A604-S1149 WeakPolarHBondContact CB-OG 3.38Å
605	E	82.1	Confident	88.8	Confident	143 Å²	143	29.6 Å²	29.6	67%	0.668	16%	0.155	S	C	*	.	H	α-helix	trans	-62.3	-42.4	172.4	-70.7	178.7	169.9	0	0	111.2	E601 L602 C607	E601-E605 WeakPolarHBondContact O-CG 3.42Å; E601-E605 PolarHBondContact O-N 3.32Å; L602-E605 PolarHBondContact O-N 2.81Å; E605-C607 PolarHBondContact O-N 3.35Å; E605-C607 VanDerWaalsContact O-N 3.12Å
606	A	81.8	Confident	89	Confident	18 Å²	18	28.6 Å²	28.6	15%	0.149	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	1.5	173.1	0	0	0	0	0	114.2	Y433 L602 F603 A604 L608	Y433-A606 HydrophobicContact CD1-CB 4.14Å; Y433-A606 HydrophobicContact CD2-CB 4.46Å; Y433-A606 HydrophobicContact CE1-CB 4.14Å; Y433-A606 HydrophobicContact CE2-CB 4.48Å; Y433-A606 HydrophobicContact CG-CB 4.3Å; L602-A606 PolarHBondContact O-N 3.41Å; F603-A606 CarbonylContact O-C 3.35Å; F603-A606 PolarHBondContact O-N 3.12Å; A604-A606 VanDerWaalsContact C-N 3.34Å; A606-L608 HydrophobicContact CB-CD1 4.17Å; A606-L608 HydrophobicContact CB-CG 4.02Å; A606-L608 PolarHBondContact O-N 3.26Å
607	C	84.6	Confident	89.1	Confident	24 Å²	24	33 Å²	33	16%	0.162	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	28.6	-179.9	-57.6	0	0	0	0	114.3	F603 A604 E605 Y702 A703	F603-C607 PolarHBondContact O-N 3.27Å; A604-C607 PolarHBondContact O-N 3.44Å; A604-C607 VanDerWaalsContact O-N 3.07Å; E605-C607 PolarHBondContact O-N 3.35Å; E605-C607 VanDerWaalsContact O-N 3.12Å; C607-Y702 WeakPolarHBondContact SG-CB 3.03Å; C607-A703 HydrophobicContact CB-CB 4.19Å
608	L	87.1	Confident	89.3	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.162	C	C	.	.			trans	-85.4	141.5	176.4	-57.7	176.6	0	0	0	110.3	Q422 Y433 F603 A606 T610 A663 E665 S1149	Q422-L608 HydrophobicContact CB-CD1 4.49Å; Q422-L608 HydrophobicContact CG-CD1 4.41Å; Q422-L608 VanDerWaalsContact OE1-CD1 3.26Å; Y433-L608 HydrophobicContact CD2-CD1 4.49Å; Y433-L608 HydrophobicContact CE2-CD2 4.22Å; F603-L608 HydrophobicContact CB-CB 4.41Å; F603-L608 HydrophobicContact CD1-CD1 4.34Å; F603-L608 PolarHBondContact O-N 3.17Å; A606-L608 HydrophobicContact CB-CD1 4.17Å; A606-L608 HydrophobicContact CB-CG 4.02Å; A606-L608 PolarHBondContact O-N 3.26Å; L608-T610 PolarHBondContact O-N 3.12Å; L608-A663 HydrophobicContact CB-CB 3.95Å; L608-A663 HydrophobicContact CD1-CB 3.74Å; L608-A663 HydrophobicContact CG-CB 4.49Å; L608-E665 HydrophobicContact CD2-CB 3.72Å; L608-E665 HydrophobicContact CD2-CG 4.16Å; L608-S1149 VanDerWaalsContact O-CB 3.26Å; L608-S1149 WeakPolarHBondContact O-CB 3.13Å
609	R	88.4	Confident	89.5	Confident	12 Å²	12	28.5 Å²	28.5	5%	0.045	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	125.5	172.7	-56.8	-178.1	176.6	-171.1	1.9	109.1	D511 A663 I664 D666 T696 S1149 A1151	D511-R609 IonicContact OD1-NH1 3.91Å; D511-R609 PolarHBondContact OD1-NH1 3.19Å; D511-R609 IonicContact OD2-NH1 3.82Å; R609-A663 CarbonylContact O-C 3.6Å; R609-A663 WeakPolarHBondContact O-CA 3.36Å; R609-I664 HydrophobicContact CB-CB 4.32Å; R609-I664 WeakPolarHBondContact CB-O 3.44Å; R609-I664 PolarHBondContact N-O 3.36Å; R609-I664 PolarHBondContact O-N 3.39Å; R609-D666 IonicContact CZ-OD2 3.85Å; R609-D666 IonicContact NE-OD2 2.6Å; R609-D666 IonicContact NH2-OD2 2.69Å; R609-D666 PolarHBondContact NH2-OD2 3.09Å; R609-T696 VanDerWaalsContact NH2-CG2 3.26Å; R609-S1149 WeakPolarHBondContact CA-O 3.32Å; R609-A1151 HydrophobicContact CB-CB 4.33Å; R609-A1151 HydrophobicContact CG-CB 3.97Å
610	T	90.5	Very high	89.5	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	139.2	-176.2	55	0	0	0	0	112.6	L600 F603 L608 V661 T662 S1149	L600-T610 HydrophobicContact CD2-CG2 3.91Å; F603-T610 HydrophobicContact CB-CG2 3.54Å; F603-T610 HydrophobicContact CD2-CG2 4.04Å; F603-T610 HydrophobicContact CG-CG2 4.28Å; L608-T610 PolarHBondContact O-N 3.12Å; T610-V661 HydrophobicContact CG2-CG1 4.38Å; T610-T662 VanDerWaalsContact CA-O 3.31Å; T610-T662 WeakPolarHBondContact CA-O 3.37Å; T610-S1149 PolarHBondContact N-O 3.38Å
611	L	92.5	Very high	89.5	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	126.7	170	-67.8	164.9	0	0	0	109.9	L515 V661 T662 I664 Y1150 I1152	L515-L611 HydrophobicContact CD1-CD1 3.88Å; L611-V661 CarbonylContact O-C 3.57Å; L611-V661 WeakPolarHBondContact O-CA 3.1Å; L611-T662 WeakPolarHBondContact CB-OG1 3.24Å; L611-T662 PolarHBondContact N-O 3.42Å; L611-T662 VanDerWaalsContact N-O 3.09Å; L611-T662 PolarHBondContact O-N 3.04Å; L611-T662 PolarHBondContact O-OG1 3.01Å; L611-I664 HydrophobicContact CD1-CD1 4.28Å; L611-Y1150 HydrophobicContact CD2-CD2 3.72Å; L611-Y1150 HydrophobicContact CD2-CE2 3.42Å; L611-Y1150 VanDerWaalsContact CD2-CE2 3.42Å; L611-I1152 HydrophobicContact CD1-CD1 4.46Å; L611-I1152 HydrophobicContact CD2-CB 4.49Å; L611-I1152 HydrophobicContact CD2-CD1 4.34Å
612	C	94.1	Very high	89.6	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	138.1	172.5	-68	0	0	0	0	109.9	K576 G577 D579 I582 L658	K576-C612 VanDerWaalsContact CA-O 3.31Å; K576-C612 WeakPolarHBondContact CA-O 3.45Å; G577-C612 PolarHBondContact N-O 3Å; G577-C612 PolarHBondContact O-N 2.68Å; D579-C612 VanDerWaalsContact CA-SG 3.58Å; I582-C612 HydrophobicContact CB-CB 3.87Å; I582-C612 HydrophobicContact CG1-CB 4.02Å; I582-C612 HydrophobicContact CG2-CB 3.88Å; C612-L658 HydrophobicContact CB-CD1 4.28Å
613	V	95.3	Very high	89.7	Confident	3 Å²	3	32.1 Å²	32.1	2%	0.018	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	128.3	176.9	-175	0	0	0	0	108.2	F484 A487 L488 K576 L659 G660 T662	F484-V613 HydrophobicContact CD2-CB 3.94Å; F484-V613 HydrophobicContact CD2-CG1 4.18Å; F484-V613 HydrophobicContact CD2-CG2 4.34Å; F484-V613 HydrophobicContact CE2-CB 3.77Å; F484-V613 HydrophobicContact CE2-CG1 4.42Å; F484-V613 HydrophobicContact CE2-CG2 3.76Å; F484-V613 HydrophobicContact CZ-CG2 4.43Å; A487-V613 HydrophobicContact CB-CG1 3.57Å; L488-V613 HydrophobicContact CD2-CG2 4.08Å; K576-V613 HydrophobicContact CB-CG2 4.46Å; V613-L659 HydrophobicContact CG1-CD1 4.32Å; V613-L659 WeakPolarHBondContact O-CB 3.2Å; V613-L659 PolarHBondContact O-N 3.27Å; V613-G660 PolarHBondContact N-O 2.81Å; V613-G660 PolarHBondContact O-N 3.17Å; V613-T662 HydrophobicContact CG2-CG2 4.37Å
614	A	95.1	Very high	89.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	158.6	-177.1	0	0	0	0	0	111	C575 I582 L656 L657	C575-A614 PolarHBondContact N-O 3.27Å; C575-A614 PolarHBondContact O-N 3.25Å; C575-A614 VanDerWaalsContact O-O 3.13Å; I582-A614 HydrophobicContact CG2-CB 3.98Å; A614-L656 HydrophobicContact CB-CB 3.93Å; A614-L656 HydrophobicContact CB-CD1 4.26Å; A614-L657 CarbonylContact C-O 3.56Å; A614-L657 WeakPolarHBondContact CA-O 3.3Å; A614-L657 VanDerWaalsContact CB-O 3.31Å; A614-L657 WeakPolarHBondContact CB-O 3.19Å
615	V	94.9	Very high	89.9	Confident	7 Å²	7	46.3 Å²	46.3	4%	0.042	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	151.9	-179.9	68	0	0	0	0	110.9	K572 L573 Y574 L657 L659	K572-V615 HydrophobicContact CB-CG2 4.49Å; L573-V615 CarbonylContact O-C 3.58Å; L573-V615 VanDerWaalsContact O-CA 3.31Å; L573-V615 WeakPolarHBondContact O-CA 3.23Å; Y574-V615 HydrophobicContact CD1-CB 4.1Å; Y574-V615 HydrophobicContact CD1-CG2 3.71Å; Y574-V615 HydrophobicContact CE1-CB 4.25Å; Y574-V615 HydrophobicContact CE1-CG2 3.62Å; Y574-V615 HydrophobicContact CG-CG2 4.46Å; V615-L657 HydrophobicContact CG1-CB 4.29Å; V615-L657 HydrophobicContact CG1-CD2 4.38Å; V615-L657 PolarHBondContact N-O 3.29Å; V615-L657 WeakPolarHBondContact O-CB 3.34Å; V615-L657 PolarHBondContact O-N 3.48Å; V615-L659 HydrophobicContact CB-CD1 3.85Å; V615-L659 HydrophobicContact CB-CG 4.21Å; V615-L659 HydrophobicContact CG1-CD1 3.88Å; V615-L659 HydrophobicContact CG1-CD2 3.65Å; V615-L659 HydrophobicContact CG1-CG 3.78Å
616	R	93.3	Very high	90.2	Very high	38 Å²	38	40.2 Å²	40.2	14%	0.143	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	134.1	169.8	173.4	179.2	-172	-173.4	9.6	110.1	K572 L573 V618 E651 M652 R654 D655 L656	K572-R616 WeakPolarHBondContact CA-O 3.41Å; L573-R616 HydrophobicContact CB-CB 4.38Å; L573-R616 PolarHBondContact N-O 2.94Å; L573-R616 PolarHBondContact O-N 2.89Å; R616-V618 HydrophobicContact CG-CG2 4.4Å; R616-E651 PolarHBondContact NH1-O 3.06Å; R616-M652 PolarHBondContact NH1-O 3.38Å; R616-R654 WeakPolarHBondContact CD-O 3.49Å; R616-R654 PolarHBondContact NE-O 3.4Å; R616-R654 PolarHBondContact NH1-O 3.35Å; R616-D655 IonicContact NH2-OD2 3.58Å; R616-L656 HydrophobicContact CB-CD2 3.86Å
617	S	92.3	Very high	90.3	Very high	94 Å²	94	41.1 Å²	41.1	66%	0.657	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78	125.4	165.6	-161.7	0	0	0	0	108.4
618	V	92	Very high	90.3	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.042	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-102.6	128.3	-177	176.3	0	0	0	0	109.3	L563 L571 L573 R616 L622 W623 M652	L563-V618 HydrophobicContact CD1-CB 4.28Å; L563-V618 HydrophobicContact CD1-CG2 3.83Å; L571-V618 HydrophobicContact CB-CB 4.16Å; L571-V618 WeakPolarHBondContact CB-O 3.13Å; L571-V618 PolarHBondContact O-N 2.94Å; L573-V618 HydrophobicContact CB-CG2 3.87Å; R616-V618 HydrophobicContact CG-CG2 4.4Å; V618-L622 HydrophobicContact CG1-CD2 3.87Å; V618-W623 HydrophobicContact CG1-CB 4.37Å; V618-M652 HydrophobicContact CG1-CE 4.04Å; V618-M652 HydrophobicContact CG2-CE 4.21Å
619	P	92	Very high	90	Very high	77 Å²	77	48.7 Å²	48.7	50%	0.5	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-68.5	140.8	172.2	-18.6	31.6	0	0	0	111.8	A621 L622 W623	P619-A621 VanDerWaalsContact C-N 3.31Å; P619-A621 PolarHBondContact O-N 2.96Å; P619-L622 HydrophobicContact CB-CB 4.4Å; P619-L622 WeakPolarHBondContact O-CB 3.24Å; P619-L622 PolarHBondContact O-N 3.13Å; P619-W623 PolarHBondContact O-N 2.86Å
620	E	89.3	Confident	89.6	Confident	71 Å²	71	49.7 Å²	49.7	33%	0.332	26%	0.262	S	S	.	.	H	α-helix	trans	-54.7	-44.4	-179.3	-154.4	70	-146.4	0	0	112.7	R565 L571 L622 W623 E624	R565-E620 IonicContact CZ-OE1 3.3Å; R565-E620 IonicContact NH2-OE1 2.69Å; R565-E620 PolarHBondContact NH2-OE1 2.96Å; L571-E620 HydrophobicContact CD1-CB 4.5Å; L571-E620 VanDerWaalsContact CD1-CD 3.47Å; L571-E620 HydrophobicContact CD1-CG 4.49Å; L571-E620 WeakPolarHBondContact CD1-OE2 3.35Å; L571-E620 WeakPolarHBondContact CG-OE2 3.23Å; E620-L622 PolarHBondContact O-N 3.3Å; E620-W623 WeakPolarHBondContact O-CB 3.46Å; E620-W623 PolarHBondContact O-N 2.96Å; E620-E624 PolarHBondContact O-N 3.26Å
621	A	88.9	Confident	88.8	Confident	73 Å²	73	52.9 Å²	52.9	60%	0.603	29%	0.288	S	S	*	.	H	α-helix	trans	-61.3	-29.6	178.7	0	0	0	0	0	113.4	P619 R625	P619-A621 VanDerWaalsContact C-N 3.31Å; P619-A621 PolarHBondContact O-N 2.96Å; A621-R625 PolarHBondContact O-N 2.98Å
622	L	89.4	Confident	87.9	Confident	64 Å²	64	59 Å²	59	34%	0.335	32%	0.32	S	S	.	.	H	α-helix	trans	-76.1	-38.6	176.6	-173.2	139.3	0	0	0	110.6	V618 P619 E620 W626 M652	V618-L622 HydrophobicContact CG1-CD2 3.87Å; P619-L622 HydrophobicContact CB-CB 4.4Å; P619-L622 WeakPolarHBondContact O-CB 3.24Å; P619-L622 PolarHBondContact O-N 3.13Å; E620-L622 PolarHBondContact O-N 3.3Å; L622-W626 WeakPolarHBondContact O-CB 3.41Å; L622-W626 PolarHBondContact O-N 3.46Å; L622-M652 HydrophobicContact CD2-CE 4.01Å; L622-M652 HydrophobicContact CD2-SD 3.32Å; L622-M652 WeakPolarHBondContact CD2-SD 3.46Å
623	W	87.6	Confident	86.7	Confident	33 Å²	33	59.1 Å²	59.1	13%	0.125	32%	0.321	C	S	.	.	H	α-helix	trans	-63.3	-47.4	174.6	165.1	-113	0	0	0	112.3	L548 A549 L563 L571 V618 P619 E620 R625 W626 S627	L548-W623 HydrophobicContact CB-CH2 3.77Å; L548-W623 HydrophobicContact CB-CZ2 3.76Å; L548-W623 HydrophobicContact CB-CZ3 4.43Å; L548-W623 HydrophobicContact CD1-CD2 4.5Å; L548-W623 HydrophobicContact CD1-CZ2 4.25Å; L548-W623 HydrophobicContact CD2-CZ2 4.16Å; L548-W623 HydrophobicContact CG-CZ2 4.28Å; A549-W623 HydrophobicContact CB-CH2 4.27Å; A549-W623 HydrophobicContact CB-CZ3 4.21Å; L563-W623 HydrophobicContact CD2-CD2 3.87Å; L563-W623 HydrophobicContact CD2-CE3 3.14Å; L563-W623 HydrophobicContact CD2-CH2 4.09Å; L563-W623 HydrophobicContact CD2-CZ3 3.26Å; L571-W623 HydrophobicContact CD1-CB 3.82Å; L571-W623 HydrophobicContact CD1-CG 4.18Å; V618-W623 HydrophobicContact CG1-CB 4.37Å; P619-W623 PolarHBondContact O-N 2.86Å; E620-W623 WeakPolarHBondContact O-CB 3.46Å; E620-W623 PolarHBondContact O-N 2.96Å; W623-R625 PolarHBondContact O-N 2.85Å; W623-W626 AromaticContact CE3-CE3 3.93Å; W623-W626 HydrophobicContact CE3-CE3 3.93Å; W623-W626 HydrophobicContact CE3-CZ3 4.43Å; W623-W626 HydrophobicContact CH2-CE3 4.48Å; W623-W626 HydrophobicContact CH2-CZ3 4.38Å; W623-W626 AromaticContact CZ3-CE3 3.52Å; W623-W626 HydrophobicContact CZ3-CE3 3.52Å; W623-W626 AromaticContact CZ3-CZ3 3.61Å; W623-W626 HydrophobicContact CZ3-CZ3 3.61Å; W623-W626 PolarHBondContact O-N 3.42Å; W623-W626 VanDerWaalsContact O-N 3.16Å; W623-S627 WeakPolarHBondContact O-CB 3.19Å; W623-S627 PolarHBondContact O-N 3.41Å; W623-S627 PolarHBondContact O-OG 2.92Å
624	E	88.1	Confident	85.1	Confident	112 Å²	112	62.5 Å²	62.5	52%	0.523	35%	0.35	S	S	.	.	H	α-helix	trans	-55.4	-54.4	179.9	-72.6	177.1	168.5	0	0	110.9	E620 W626 S627 E628	E620-E624 PolarHBondContact O-N 3.26Å; E624-W626 VanDerWaalsContact C-N 3.29Å; E624-W626 PolarHBondContact O-N 2.87Å; E624-S627 PolarHBondContact O-N 3.38Å; E624-S627 PolarHBondContact O-OG 3.38Å; E624-E628 PolarHBondContact O-N 3.32Å; E624-E628 VanDerWaalsContact O-N 3.12Å
625	R	88.3	Confident	83.4	Confident	192 Å²	192	67.1 Å²	67.1	73%	0.725	39%	0.388	S	S	*	.	H	α-helix	trans	-57.8	-40.9	176.9	-177.3	178.8	178.6	177.3	0.3	112.8	A621 W623 T629	A621-R625 PolarHBondContact O-N 2.98Å; W623-R625 PolarHBondContact O-N 2.85Å; R625-T629 PolarHBondContact O-N 3.02Å; R625-T629 PolarHBondContact O-OG1 3.41Å
626	W	87.9	Confident	82.2	Confident	15 Å²	15	70.5 Å²	70.5	6%	0.057	40%	0.404	C	S	.	.	H	α-helix	trans	-69.4	-40.7	-179.4	-171.2	92.4	0	0	0	111.8	A549 L622 W623 E624 T629 L630 L648 Y649 M652	A549-W626 HydrophobicContact CB-CH2 4.33Å; A549-W626 HydrophobicContact CB-CZ3 4.18Å; L622-W626 WeakPolarHBondContact O-CB 3.41Å; L622-W626 PolarHBondContact O-N 3.46Å; W623-W626 AromaticContact CE3-CE3 3.93Å; W623-W626 HydrophobicContact CE3-CE3 3.93Å; W623-W626 HydrophobicContact CE3-CZ3 4.43Å; W623-W626 HydrophobicContact CH2-CE3 4.48Å; W623-W626 HydrophobicContact CH2-CZ3 4.38Å; W623-W626 AromaticContact CZ3-CE3 3.52Å; W623-W626 HydrophobicContact CZ3-CE3 3.52Å; W623-W626 AromaticContact CZ3-CZ3 3.61Å; W623-W626 HydrophobicContact CZ3-CZ3 3.61Å; W623-W626 PolarHBondContact O-N 3.42Å; W623-W626 VanDerWaalsContact O-N 3.16Å; E624-W626 VanDerWaalsContact C-N 3.29Å; E624-W626 PolarHBondContact O-N 2.87Å; W626-T629 PolarHBondContact O-N 3.17Å; W626-L630 HydrophobicContact CE3-CB 4.29Å; W626-L630 HydrophobicContact CH2-CD1 4.14Å; W626-L630 HydrophobicContact CH2-CD2 4.03Å; W626-L630 HydrophobicContact CH2-CG 4.49Å; W626-L630 HydrophobicContact CZ3-CB 4.14Å; W626-L630 HydrophobicContact CZ3-CD1 4.41Å; W626-L630 HydrophobicContact CZ3-CD2 3.64Å; W626-L630 HydrophobicContact CZ3-CG 4.27Å; W626-L630 PolarHBondContact O-N 3.49Å; W626-L648 HydrophobicContact CD2-CD2 3.98Å; W626-L648 HydrophobicContact CH2-CD2 3.95Å; W626-L648 HydrophobicContact CZ2-CD2 3.19Å; W626-L648 HydrophobicContact CZ2-CG 4.24Å; W626-L648 VanDerWaalsContact NE1-CG 3.28Å; W626-L648 PolarHBondContact NE1-O 3.36Å; W626-Y649 HydrophobicContact CH2-CD1 4.38Å; W626-Y649 HydrophobicContact CH2-CE1 4.19Å; W626-Y649 AromaticContact CZ2-CD1 3.85Å; W626-Y649 HydrophobicContact CZ2-CD1 3.85Å; W626-Y649 HydrophobicContact CZ2-CE1 4.09Å; W626-M652 HydrophobicContact CB-SD 4.14Å; W626-M652 HydrophobicContact CD2-CG 3.9Å; W626-M652 HydrophobicContact CD2-SD 4.08Å; W626-M652 HydrophobicContact CG-CG 3.87Å; W626-M652 HydrophobicContact CG-SD 3.64Å; W626-M652 HydrophobicContact CZ2-CG 3.84Å
627	S	84.9	Confident	80.5	Confident	38 Å²	38	72 Å²	72	27%	0.266	42%	0.424	S	S	.	.	H	α-helix	trans	-65.2	-39	179.9	73.6	0	0	0	0	112.5	W623 E624 L630 A631	W623-S627 WeakPolarHBondContact O-CB 3.19Å; W623-S627 PolarHBondContact O-N 3.41Å; W623-S627 PolarHBondContact O-OG 2.92Å; E624-S627 PolarHBondContact O-N 3.38Å; E624-S627 PolarHBondContact O-OG 3.38Å; S627-L630 PolarHBondContact O-N 3.04Å; S627-A631 WeakPolarHBondContact O-CB 3.48Å; S627-A631 PolarHBondContact O-N 2.97Å
628	E	84.1	Confident	79	Confident	129 Å²	129	71.4 Å²	71.4	60%	0.603	42%	0.417	S	S	*	.	H	α-helix	trans	-62	-45	172.8	-70.8	177.3	173.9	0	0	111.3	E624 L630 A631 L632	E624-E628 PolarHBondContact O-N 3.32Å; E624-E628 VanDerWaalsContact O-N 3.12Å; E628-L630 VanDerWaalsContact C-N 3.33Å; E628-L630 PolarHBondContact O-N 2.85Å; E628-A631 PolarHBondContact O-N 3.01Å; E628-L632 WeakPolarHBondContact O-CG 3.36Å; E628-L632 PolarHBondContact O-N 2.82Å
629	T	80.8	Confident	77.6	Confident	55 Å²	55	76.3 Å²	76.3	34%	0.337	45%	0.45	S	S	.	.	H	α-helix	trans	-66.6	-36.8	179.5	-48.2	0	0	0	0	111.4	R625 W626 L632 S633 L648	R625-T629 PolarHBondContact O-N 3.02Å; R625-T629 PolarHBondContact O-OG1 3.41Å; W626-T629 PolarHBondContact O-N 3.17Å; T629-L632 PolarHBondContact O-N 3.2Å; T629-S633 PolarHBondContact O-N 3.45Å; T629-S633 VanDerWaalsContact O-N 3.1Å; T629-L648 HydrophobicContact CG2-CD1 3.39Å
630	L	79.9	Confident	76.5	Confident	32 Å²	32	78.6 Å²	78.6	17%	0.168	45%	0.454	C	S	.	.	H	α-helix	trans	-63.3	-46.2	173.1	-174.7	74.7	0	0	0	111.1	W626 S627 E628 L632 S633 A634 L645 L648 Y649	W626-L630 HydrophobicContact CE3-CB 4.29Å; W626-L630 HydrophobicContact CH2-CD1 4.14Å; W626-L630 HydrophobicContact CH2-CD2 4.03Å; W626-L630 HydrophobicContact CH2-CG 4.49Å; W626-L630 HydrophobicContact CZ3-CB 4.14Å; W626-L630 HydrophobicContact CZ3-CD1 4.41Å; W626-L630 HydrophobicContact CZ3-CD2 3.64Å; W626-L630 HydrophobicContact CZ3-CG 4.27Å; W626-L630 PolarHBondContact O-N 3.49Å; S627-L630 PolarHBondContact O-N 3.04Å; E628-L630 VanDerWaalsContact C-N 3.33Å; E628-L630 PolarHBondContact O-N 2.85Å; L630-L632 VanDerWaalsContact C-N 3.34Å; L630-L632 PolarHBondContact O-N 3.27Å; L630-S633 PolarHBondContact O-N 2.95Å; L630-S633 PolarHBondContact O-OG 3.33Å; L630-A634 PolarHBondContact O-N 3.29Å; L630-L645 HydrophobicContact CD1-CD2 3.49Å; L630-L645 VanDerWaalsContact CD1-CD2 3.49Å; L630-L648 HydrophobicContact CB-CD2 4.4Å; L630-L648 HydrophobicContact CD1-CD2 3.86Å; L630-Y649 HydrophobicContact CD1-CE1 4.27Å
631	A	73.6	Confident	75.7	Confident	68 Å²	68	76.2 Å²	76.2	56%	0.562	44%	0.442	S	S	*	.	H	α-helix	trans	-61.3	-41.2	178.6	0	0	0	0	0	112.1	S627 E628 S633 A634	S627-A631 WeakPolarHBondContact O-CB 3.48Å; S627-A631 PolarHBondContact O-N 2.97Å; E628-A631 PolarHBondContact O-N 3.01Å; A631-S633 VanDerWaalsContact C-N 3.32Å; A631-S633 PolarHBondContact O-N 2.85Å; A631-A634 WeakPolarHBondContact O-CB 3.49Å; A631-A634 PolarHBondContact O-N 2.87Å
632	L	74.7	Confident	74.9	Confident	130 Å²	130	76.2 Å²	76.2	68%	0.681	43%	0.432	S	S	*	.	H	α-helix	trans	-62.2	-38.7	174.9	-71.6	168.3	0	0	0	112.3	E628 T629 L630 A634 A635	E628-L632 WeakPolarHBondContact O-CG 3.36Å; E628-L632 PolarHBondContact O-N 2.82Å; T629-L632 PolarHBondContact O-N 3.2Å; L630-L632 VanDerWaalsContact C-N 3.34Å; L630-L632 PolarHBondContact O-N 3.27Å; L632-A634 PolarHBondContact O-N 2.93Å; L632-A635 PolarHBondContact O-N 3.41Å
633	S	68.3	Low	74.4	Confident	4 Å²	4	77 Å²	77	3%	0.028	44%	0.44	C	S	.	.	H	α-helix	trans	-65.3	-25.1	179.3	78.4	0	0	0	0	113.4	T629 L630 A631 A635 M636 R641 L645	T629-S633 PolarHBondContact O-N 3.45Å; T629-S633 VanDerWaalsContact O-N 3.1Å; L630-S633 PolarHBondContact O-N 2.95Å; L630-S633 PolarHBondContact O-OG 3.33Å; A631-S633 VanDerWaalsContact C-N 3.32Å; A631-S633 PolarHBondContact O-N 2.85Å; S633-A635 PolarHBondContact O-N 3.3Å; S633-M636 PolarHBondContact O-N 3.3Å; S633-R641 WeakPolarHBondContact O-CD 3.47Å; S633-R641 VanDerWaalsContact O-CG 3.29Å; S633-R641 WeakPolarHBondContact O-CG 3.36Å; S633-L645 WeakPolarHBondContact OG-CD2 3.3Å
634	A	61.8	Low	74	Confident	74 Å²	74	78.2 Å²	78.2	61%	0.612	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.2	-179.5	0	0	0	0	0	113.6	L630 A631 L632	L630-A634 PolarHBondContact O-N 3.29Å; A631-A634 WeakPolarHBondContact O-CB 3.49Å; A631-A634 PolarHBondContact O-N 2.87Å; L632-A634 PolarHBondContact O-N 2.93Å
635	A	59.9	Low	73.6	Confident	97 Å²	97	73.8 Å²	73.8	80%	0.802	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-2.4	-179.9	0	0	0	0	0	114.3	L632 S633	L632-A635 PolarHBondContact O-N 3.41Å; S633-A635 PolarHBondContact O-N 3.3Å
636	M	69.4	Low	73.3	Confident	78 Å²	78	68.2 Å²	68.2	38%	0.384	41%	0.41	S	S	.	.	S	Bend	trans	-87.8	159.5	-174.2	-62	-176.5	76.8	0	0	113.7	S633 E640 R641 L644	S633-M636 PolarHBondContact O-N 3.3Å; M636-E640 HydrophobicContact CE-CB 4.48Å; M636-R641 HydrophobicContact CB-CB 4.27Å; M636-L644 HydrophobicContact CE-CD1 4.42Å; M636-L644 HydrophobicContact SD-CD1 3.97Å
637	A	58.2	Low	73.2	Confident	68 Å²	68	74.5 Å²	74.5	56%	0.562	44%	0.438	S	S	*	.			trans	-58.9	145.8	172.8	0	0	0	0	0	112.1	C639 E640 R641	A637-C639 PolarHBondContact O-N 3.46Å; A637-E640 PolarHBondContact O-N 3.34Å; A637-R641 WeakPolarHBondContact O-CB 3.29Å; A637-R641 PolarHBondContact O-N 2.98Å
638	T	60.8	Low	73.3	Confident	83 Å²	83	73.1 Å²	73.1	51%	0.509	43%	0.428	S	S	.	.	H	α-helix	trans	-58.5	-41.6	-161.8	-24.9	0	0	0	0	114.7	D642	T638-D642 PolarHBondContact O-N 3.33Å
639	C	62.8	Low	73.5	Confident	110 Å²	110	68.6 Å²	68.6	74%	0.743	41%	0.405	S	S	*	.	H	α-helix	trans	-72.4	-43.1	-177.6	-74.1	0	0	0	0	113.2	A637 R641	A637-C639 PolarHBondContact O-N 3.46Å; C639-R641 VanDerWaalsContact C-N 3.35Å
640	E	67.6	Low	73.9	Confident	124 Å²	124	67.6 Å²	67.6	58%	0.579	40%	0.398	S	S	*	.	H	α-helix	trans	-68.9	-38.3	178.4	-69.7	-178.7	170.2	0	0	110.8	M636 A637 D642 T643 L644	M636-E640 HydrophobicContact CE-CB 4.48Å; A637-E640 PolarHBondContact O-N 3.34Å; E640-D642 PolarHBondContact O-N 3.12Å; E640-T643 PolarHBondContact O-N 3.41Å; E640-T643 PolarHBondContact O-OG1 2.9Å; E640-L644 PolarHBondContact O-N 3.17Å; E640-L644 VanDerWaalsContact O-N 3.1Å
641	R	72.5	Confident	74.4	Confident	22 Å²	22	72.1 Å²	72.1	8%	0.083	42%	0.418	C	S	.	.	H	α-helix	trans	-55.3	-49.1	175.9	-176.8	-177.7	62.6	61.4	18.8	112.8	S633 M636 A637 C639 T643 L644 L645	S633-R641 WeakPolarHBondContact O-CD 3.47Å; S633-R641 VanDerWaalsContact O-CG 3.29Å; S633-R641 WeakPolarHBondContact O-CG 3.36Å; M636-R641 HydrophobicContact CB-CB 4.27Å; A637-R641 WeakPolarHBondContact O-CB 3.29Å; A637-R641 PolarHBondContact O-N 2.98Å; C639-R641 VanDerWaalsContact C-N 3.35Å; R641-T643 VanDerWaalsContact C-N 3.33Å; R641-T643 PolarHBondContact O-N 3.36Å; R641-L644 PolarHBondContact O-N 3.11Å; R641-L645 HydrophobicContact CG-CD1 3.89Å; R641-L645 HydrophobicContact CG-CG 4.31Å; R641-L645 WeakPolarHBondContact O-CB 3.15Å; R641-L645 WeakPolarHBondContact O-CG 3.47Å; R641-L645 PolarHBondContact O-N 3.23Å
642	D	71.6	Confident	75.2	Confident	72 Å²	72	69.1 Å²	69.1	39%	0.385	39%	0.392	S	S	.	.	H	α-helix	trans	-65.2	-36.8	-176	-71.6	-25.1	0	0	0	112.2	T638 E640 E646	T638-D642 PolarHBondContact O-N 3.33Å; E640-D642 PolarHBondContact O-N 3.12Å; D642-E646 WeakPolarHBondContact O-CG 3.33Å; D642-E646 PolarHBondContact O-N 2.81Å
643	T	79.1	Confident	76	Confident	81 Å²	81	62.9 Å²	62.9	50%	0.497	36%	0.36	S	S	.	.	H	α-helix	trans	-69	-35.8	176	65	0	0	0	0	112.9	E640 R641 K647	E640-T643 PolarHBondContact O-N 3.41Å; E640-T643 PolarHBondContact O-OG1 2.9Å; R641-T643 VanDerWaalsContact C-N 3.33Å; R641-T643 PolarHBondContact O-N 3.36Å; T643-K647 PolarHBondContact O-N 2.88Å
644	L	80.3	Confident	77.2	Confident	58 Å²	58	69.4 Å²	69.4	30%	0.304	38%	0.384	S	S	.	.	H	α-helix	trans	-71.5	-43.4	177.8	-165.6	153	0	0	0	110.6	M636 E640 R641 E646 K647 L648	M636-L644 HydrophobicContact CE-CD1 4.42Å; M636-L644 HydrophobicContact SD-CD1 3.97Å; E640-L644 PolarHBondContact O-N 3.17Å; E640-L644 VanDerWaalsContact O-N 3.1Å; R641-L644 PolarHBondContact O-N 3.11Å; L644-E646 VanDerWaalsContact C-N 3.34Å; L644-E646 PolarHBondContact O-N 2.84Å; L644-K647 PolarHBondContact O-N 2.99Å; L644-L648 HydrophobicContact CD2-CD1 4.22Å; L644-L648 VanDerWaalsContact O-CB 3.25Å; L644-L648 WeakPolarHBondContact O-CB 3.36Å; L644-L648 PolarHBondContact O-N 3.2Å
645	L	79.8	Confident	78.6	Confident	19 Å²	19	70 Å²	70	10%	0.099	38%	0.376	C	S	.	.	H	α-helix	trans	-59.2	-42.8	174.2	-74.1	173.7	0	0	0	112.1	L630 S633 R641 K647 L648 Y649	L630-L645 HydrophobicContact CD1-CD2 3.49Å; L630-L645 VanDerWaalsContact CD1-CD2 3.49Å; S633-L645 WeakPolarHBondContact OG-CD2 3.3Å; R641-L645 HydrophobicContact CG-CD1 3.89Å; R641-L645 HydrophobicContact CG-CG 4.31Å; R641-L645 WeakPolarHBondContact O-CB 3.15Å; R641-L645 WeakPolarHBondContact O-CG 3.47Å; R641-L645 PolarHBondContact O-N 3.23Å; L645-K647 VanDerWaalsContact C-N 3.33Å; L645-K647 PolarHBondContact O-N 2.95Å; L645-L648 PolarHBondContact O-N 3.21Å; L645-Y649 HydrophobicContact CB-CE2 4.39Å; L645-Y649 HydrophobicContact CD2-CE1 4.15Å; L645-Y649 VanDerWaalsContact O-CB 3.25Å; L645-Y649 WeakPolarHBondContact O-CB 3.16Å; L645-Y649 WeakPolarHBondContact O-CD1 3.46Å; L645-Y649 WeakPolarHBondContact O-CD2 3.48Å; L645-Y649 PolarHBondContact O-N 3.05Å
646	E	81.7	Confident	80.2	Confident	76 Å²	76	65.3 Å²	65.3	36%	0.355	34%	0.338	S	S	.	.	H	α-helix	trans	-59.8	-41.5	176.9	-80.7	-176	174.5	0	0	112.4	K556 D642 L644 D650	K556-E646 WeakPolarHBondContact CD-OE1 3.33Å; K556-E646 IonicContact NZ-OE1 3.1Å; D642-E646 WeakPolarHBondContact O-CG 3.33Å; D642-E646 PolarHBondContact O-N 2.81Å; L644-E646 VanDerWaalsContact C-N 3.34Å; L644-E646 PolarHBondContact O-N 2.84Å; E646-D650 PolarHBondContact O-N 2.6Å; E646-D650 VanDerWaalsContact O-N 3.1Å
647	K	85.4	Confident	81.4	Confident	147 Å²	147	64.1 Å²	64.1	64%	0.639	33%	0.333	S	S	*	.	H	α-helix	trans	-66.2	-48.3	175.7	-70.6	177.5	-178.1	176.6	0	111.7	T643 L644 L645 Y649 D650 E651	T643-K647 PolarHBondContact O-N 2.88Å; L644-K647 PolarHBondContact O-N 2.99Å; L645-K647 VanDerWaalsContact C-N 3.33Å; L645-K647 PolarHBondContact O-N 2.95Å; K647-Y649 VanDerWaalsContact C-N 3.27Å; K647-Y649 PolarHBondContact O-N 2.69Å; K647-D650 PolarHBondContact O-N 3.1Å; K647-D650 VanDerWaalsContact O-N 3.09Å; K647-E651 PolarHBondContact O-N 3.36Å
648	L	86.6	Confident	83.1	Confident	9 Å²	9	61.4 Å²	61.4	5%	0.047	31%	0.309	C	S	.	.	H	α-helix	trans	-62.1	-35.7	-178.6	-175.1	135.2	0	0	0	111.7	W626 T629 L630 L644 L645	W626-L648 HydrophobicContact CD2-CD2 3.98Å; W626-L648 HydrophobicContact CH2-CD2 3.95Å; W626-L648 HydrophobicContact CZ2-CD2 3.19Å; W626-L648 HydrophobicContact CZ2-CG 4.24Å; W626-L648 VanDerWaalsContact NE1-CG 3.28Å; W626-L648 PolarHBondContact NE1-O 3.36Å; T629-L648 HydrophobicContact CG2-CD1 3.39Å; L630-L648 HydrophobicContact CB-CD2 4.4Å; L630-L648 HydrophobicContact CD1-CD2 3.86Å; L644-L648 HydrophobicContact CD2-CD1 4.22Å; L644-L648 VanDerWaalsContact O-CB 3.25Å; L644-L648 WeakPolarHBondContact O-CB 3.36Å; L644-L648 PolarHBondContact O-N 3.2Å; L645-L648 PolarHBondContact O-N 3.21Å
649	Y	88.9	Confident	84.6	Confident	34 Å²	34	57.6 Å²	57.6	13%	0.133	29%	0.286	C	S	.	.	H	α-helix	trans	-68	-43.6	171.8	-69.7	-5.5	0	0	0	112.4	L551 W626 L630 L645 K647 E651 M652 E653	L551-Y649 HydrophobicContact CD2-CD1 3.54Å; L551-Y649 HydrophobicContact CD2-CD2 4.31Å; L551-Y649 HydrophobicContact CD2-CE1 4.18Å; L551-Y649 HydrophobicContact CD2-CG 3.6Å; L551-Y649 HydrophobicContact CG-CD1 3.96Å; L551-Y649 HydrophobicContact CG-CE1 4.08Å; L551-Y649 HydrophobicContact CG-CG 4.21Å; W626-Y649 HydrophobicContact CH2-CD1 4.38Å; W626-Y649 HydrophobicContact CH2-CE1 4.19Å; W626-Y649 AromaticContact CZ2-CD1 3.85Å; W626-Y649 HydrophobicContact CZ2-CD1 3.85Å; W626-Y649 HydrophobicContact CZ2-CE1 4.09Å; L630-Y649 HydrophobicContact CD1-CE1 4.27Å; L645-Y649 HydrophobicContact CB-CE2 4.39Å; L645-Y649 HydrophobicContact CD2-CE1 4.15Å; L645-Y649 VanDerWaalsContact O-CB 3.25Å; L645-Y649 WeakPolarHBondContact O-CB 3.16Å; L645-Y649 WeakPolarHBondContact O-CD1 3.46Å; L645-Y649 WeakPolarHBondContact O-CD2 3.48Å; L645-Y649 PolarHBondContact O-N 3.05Å; K647-Y649 VanDerWaalsContact C-N 3.27Å; K647-Y649 PolarHBondContact O-N 2.69Å; Y649-E651 VanDerWaalsContact C-N 3.3Å; Y649-E651 PolarHBondContact O-N 3.15Å; Y649-M652 PolarHBondContact O-N 3.38Å; Y649-E653 VanDerWaalsContact O-CG 3.27Å; Y649-E653 WeakPolarHBondContact O-CG 3.42Å; Y649-E653 PolarHBondContact O-N 3.32Å
650	D	89.4	Confident	86.1	Confident	33 Å²	33	52.4 Å²	52.4	18%	0.176	25%	0.25	C	S	.	.	H	α-helix	trans	-63.6	-34.8	178.8	-161.1	66.2	0	0	0	112.5	R559 R585 E646 K647 E653 R654	R559-D650 IonicContact CZ-OD1 2.76Å; R559-D650 IonicContact NH2-OD1 4Å; R559-D650 PolarHBondContact NH2-OD1 3.37Å; R585-D650 IonicContact CZ-OD1 3.67Å; R585-D650 IonicContact NE-OD1 3.63Å; R585-D650 PolarHBondContact NE-OD1 2.8Å; R585-D650 IonicContact NH2-OD1 2.81Å; R585-D650 PolarHBondContact NH2-OD1 3.48Å; E646-D650 PolarHBondContact O-N 2.6Å; E646-D650 VanDerWaalsContact O-N 3.1Å; K647-D650 PolarHBondContact O-N 3.1Å; K647-D650 VanDerWaalsContact O-N 3.09Å; D650-E653 PolarHBondContact O-N 3.46Å; D650-R654 WeakPolarHBondContact O-CG 2.95Å; D650-R654 IonicContact OD2-CZ 3.42Å; D650-R654 IonicContact OD2-NE 3.09Å; D650-R654 IonicContact OD2-NH2 2.7Å; D650-R654 PolarHBondContact OD2-NH2 2.99Å
651	E	89.6	Confident	87.3	Confident	128 Å²	128	46.5 Å²	46.5	60%	0.598	22%	0.223	S	C	*	.	H	α-helix	trans	-63.1	-40.7	176.6	-73.1	177	-173.7	0	0	113.1	R616 K647 Y649 E653	R616-E651 PolarHBondContact NH1-O 3.06Å; K647-E651 PolarHBondContact O-N 3.36Å; Y649-E651 VanDerWaalsContact C-N 3.3Å; Y649-E651 PolarHBondContact O-N 3.15Å; E651-E653 VanDerWaalsContact C-N 3.28Å; E651-E653 PolarHBondContact O-N 3.37Å
652	M	90.1	Very high	88.3	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.02	22%	0.219	C	C	.	.	H	α-helix	trans	-68.4	-28.7	176.9	-73.9	-65.4	-70	0	0	113.1	L563 L573 R616 V618 L622 W626 Y649	L563-M652 HydrophobicContact CD1-CE 4.48Å; L563-M652 HydrophobicContact CD2-CE 4.31Å; L573-M652 HydrophobicContact CD2-CB 4.47Å; L573-M652 VanDerWaalsContact CD2-O 3.25Å; L573-M652 WeakPolarHBondContact CD2-O 3.27Å; R616-M652 PolarHBondContact NH1-O 3.38Å; V618-M652 HydrophobicContact CG1-CE 4.04Å; V618-M652 HydrophobicContact CG2-CE 4.21Å; L622-M652 HydrophobicContact CD2-CE 4.01Å; L622-M652 HydrophobicContact CD2-SD 3.32Å; L622-M652 WeakPolarHBondContact CD2-SD 3.46Å; W626-M652 HydrophobicContact CB-SD 4.14Å; W626-M652 HydrophobicContact CD2-CG 3.9Å; W626-M652 HydrophobicContact CD2-SD 4.08Å; W626-M652 HydrophobicContact CG-CG 3.87Å; W626-M652 HydrophobicContact CG-SD 3.64Å; W626-M652 HydrophobicContact CZ2-CG 3.84Å; Y649-M652 PolarHBondContact O-N 3.38Å
653	E	93.1	Very high	89.3	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	13.9	-169.4	-65.8	171.3	143.1	0	0	113.4	L551 R557 R559 S561 L573 R585 Y649 D650 E651 L656	L551-E653 HydrophobicContact CD2-CG 4.47Å; R557-E653 IonicContact CZ-OE1 3.72Å; R557-E653 IonicContact CZ-OE2 2.6Å; R557-E653 IonicContact NH2-OE1 2.72Å; R557-E653 PolarHBondContact NH2-OE1 3.3Å; R557-E653 IonicContact NH2-OE2 2.72Å; R557-E653 PolarHBondContact NH2-OE2 3.21Å; R559-E653 IonicContact CZ-OE2 2.67Å; R559-E653 VanDerWaalsContact NE-CD 3.34Å; R559-E653 IonicContact NE-OE1 3.44Å; R559-E653 IonicContact NE-OE2 3.68Å; R559-E653 PolarHBondContact NE-OE2 3.47Å; R559-E653 IonicContact NH2-OE2 2.74Å; R559-E653 PolarHBondContact NH2-OE2 3.45Å; S561-E653 VanDerWaalsContact CB-OE1 3.31Å; S561-E653 WeakPolarHBondContact CB-OE1 3.33Å; S561-E653 PolarHBondContact OG-OE1 2.83Å; L573-E653 HydrophobicContact CD2-CG 4.24Å; R585-E653 WeakPolarHBondContact CB-O 3.38Å; Y649-E653 VanDerWaalsContact O-CG 3.27Å; Y649-E653 WeakPolarHBondContact O-CG 3.42Å; Y649-E653 PolarHBondContact O-N 3.32Å; D650-E653 PolarHBondContact O-N 3.46Å; E651-E653 VanDerWaalsContact C-N 3.28Å; E651-E653 PolarHBondContact O-N 3.37Å; E653-L656 WeakPolarHBondContact O-CD1 3.1Å; E653-L656 WeakPolarHBondContact O-CG 3.21Å
654	R	91.9	Very high	89.8	Confident	140 Å²	140	38.1 Å²	38.1	53%	0.528	18%	0.177	S	C	.	.	S	Bend	trans	-87.6	163	170.4	-67.5	-173	-177.5	-169.8	0.2	112.1	R616 D650 L656	R616-R654 WeakPolarHBondContact CD-O 3.49Å; R616-R654 PolarHBondContact NE-O 3.4Å; R616-R654 PolarHBondContact NH1-O 3.35Å; D650-R654 WeakPolarHBondContact O-CG 2.95Å; D650-R654 IonicContact OD2-CZ 3.42Å; D650-R654 IonicContact OD2-NE 3.09Å; D650-R654 IonicContact OD2-NH2 2.7Å; D650-R654 PolarHBondContact OD2-NH2 2.99Å; R654-L656 VanDerWaalsContact C-N 3.33Å; R654-L656 PolarHBondContact O-N 3.17Å
655	D	92.6	Very high	90.1	Very high	86 Å²	86	37 Å²	37	46%	0.46	17%	0.17	S	C	.	.	S	Bend	trans	58.4	41.2	177	-54.8	-44.3	0	0	0	113.5	R585 Q587 R616	R585-D655 PolarHBondContact O-N 3.29Å; R585-D655 VanDerWaalsContact O-N 3.08Å; Q587-D655 HydrophobicContact CG-CB 3.97Å; Q587-D655 WeakPolarHBondContact CG-O 3.24Å; Q587-D655 PolarHBondContact NE2-O 3.16Å; R616-D655 IonicContact NH2-OD2 3.58Å
656	L	93.3	Very high	90.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-75.3	147.2	177.4	-61.7	172.1	0	0	0	111.5	L573 C575 I582 R585 L586 Q587 A614 R616 E653 R654	L573-L656 HydrophobicContact CD2-CD2 4.38Å; C575-L656 HydrophobicContact CB-CD1 4.12Å; C575-L656 HydrophobicContact CB-CD2 4.27Å; I582-L656 HydrophobicContact CD1-CD1 4.34Å; R585-L656 HydrophobicContact CB-CD1 4.1Å; R585-L656 PolarHBondContact O-N 3.44Å; L586-L656 WeakPolarHBondContact CA-O 3.41Å; L586-L656 HydrophobicContact CD2-CB 4.14Å; L586-L656 WeakPolarHBondContact CD2-O 2.98Å; Q587-L656 PolarHBondContact N-O 3.13Å; Q587-L656 VanDerWaalsContact N-O 3.07Å; A614-L656 HydrophobicContact CB-CB 3.93Å; A614-L656 HydrophobicContact CB-CD1 4.26Å; R616-L656 HydrophobicContact CB-CD2 3.86Å; E653-L656 WeakPolarHBondContact O-CD1 3.1Å; E653-L656 WeakPolarHBondContact O-CG 3.21Å; R654-L656 VanDerWaalsContact C-N 3.33Å; R654-L656 PolarHBondContact O-N 3.17Å
657	L	93.8	Very high	90.7	Very high	52 Å²	52	36.2 Å²	36.2	27%	0.272	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	123.3	169.2	-176.2	75.4	0	0	0	109.4	P591 A614 V615 L659	P591-L657 HydrophobicContact CG-CD1 4.01Å; A614-L657 CarbonylContact C-O 3.56Å; A614-L657 WeakPolarHBondContact CA-O 3.3Å; A614-L657 VanDerWaalsContact CB-O 3.31Å; A614-L657 WeakPolarHBondContact CB-O 3.19Å; V615-L657 HydrophobicContact CG1-CB 4.29Å; V615-L657 HydrophobicContact CG1-CD2 4.38Å; V615-L657 PolarHBondContact N-O 3.29Å; V615-L657 WeakPolarHBondContact O-CB 3.34Å; V615-L657 PolarHBondContact O-N 3.48Å; L657-L659 PolarHBondContact O-N 3.24Å
658	L	93.9	Very high	91	Very high	12 Å²	12	30.4 Å²	30.4	6%	0.063	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	122.1	178.5	-172.6	63.9	0	0	0	110.6	I582 L586 T596 C612	I582-L658 HydrophobicContact CG2-CD1 4.49Å; L586-L658 HydrophobicContact CD1-CB 4Å; L586-L658 HydrophobicContact CD1-CD2 4.14Å; L586-L658 HydrophobicContact CD1-CG 4.5Å; L586-L658 HydrophobicContact CD2-CB 3.85Å; T596-L658 HydrophobicContact CG2-CD2 3.77Å; C612-L658 HydrophobicContact CB-CD1 4.28Å
659	L	93.3	Very high	91.1	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.016	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-42.3	175.2	-66.4	176.4	0	0	0	111.4	A426 V480 Q483 F484 A487 V613 V615 L657	A426-L659 PolarHBondContact N-O 3.25Å; V480-L659 HydrophobicContact CG1-CB 4.45Å; V480-L659 HydrophobicContact CG1-CD2 3.84Å; Q483-L659 HydrophobicContact CB-CD1 4.07Å; Q483-L659 HydrophobicContact CB-CD2 3.99Å; F484-L659 HydrophobicContact CB-CB 4.31Å; F484-L659 HydrophobicContact CD2-CB 4.01Å; A487-L659 HydrophobicContact CB-CD1 4.39Å; V613-L659 HydrophobicContact CG1-CD1 4.32Å; V613-L659 WeakPolarHBondContact O-CB 3.2Å; V613-L659 PolarHBondContact O-N 3.27Å; V615-L659 HydrophobicContact CB-CD1 3.85Å; V615-L659 HydrophobicContact CB-CG 4.21Å; V615-L659 HydrophobicContact CG1-CD1 3.88Å; V615-L659 HydrophobicContact CG1-CD2 3.65Å; V615-L659 HydrophobicContact CG1-CG 3.78Å; L657-L659 PolarHBondContact O-N 3.24Å
660	G	93.4	Very high	91.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.9	-170	-175.8	0	0	0	0	0	113.9	C424 V613	C424-G660 CarbonylContact O-C 3.1Å; C424-G660 WeakPolarHBondContact O-CA 3.41Å; V613-G660 PolarHBondContact N-O 2.81Å; V613-G660 PolarHBondContact O-N 3.17Å
661	V	94	Very high	91.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	137.4	-178.2	172.8	0	0	0	0	109.5	C423 C424 T596 L600 F603 T610 L611	C423-V661 CarbonylContact C-O 3.54Å; C423-V661 WeakPolarHBondContact CA-O 3.28Å; C423-V661 WeakPolarHBondContact CB-O 3.31Å; C424-V661 HydrophobicContact CB-CB 4.41Å; C424-V661 PolarHBondContact N-O 2.69Å; C424-V661 PolarHBondContact O-N 3.01Å; T596-V661 HydrophobicContact CG2-CB 4.28Å; T596-V661 HydrophobicContact CG2-CG2 3.32Å; L600-V661 HydrophobicContact CD1-CG2 3.97Å; L600-V661 HydrophobicContact CD2-CB 4.39Å; L600-V661 HydrophobicContact CD2-CG1 3.53Å; L600-V661 HydrophobicContact CD2-CG2 3.96Å; L600-V661 HydrophobicContact CG-CG1 4.12Å; L600-V661 HydrophobicContact CG-CG2 3.89Å; F603-V661 HydrophobicContact CD2-CG1 3.98Å; F603-V661 HydrophobicContact CE2-CB 4.49Å; F603-V661 HydrophobicContact CE2-CG1 4.03Å; T610-V661 HydrophobicContact CG2-CG1 4.38Å; L611-V661 CarbonylContact O-C 3.57Å; L611-V661 WeakPolarHBondContact O-CA 3.1Å
662	T	93.3	Very high	91.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	146.7	169.5	59.2	0	0	0	0	110	L420 F484 L488 L515 T610 L611 V613	L420-T662 HydrophobicContact CD1-CG2 4.37Å; F484-T662 HydrophobicContact CE1-CG2 4.25Å; F484-T662 HydrophobicContact CE2-CG2 4.28Å; F484-T662 HydrophobicContact CZ-CG2 3.49Å; F484-T662 VanDerWaalsContact CZ-CG2 3.49Å; L488-T662 HydrophobicContact CD1-CG2 4.28Å; L488-T662 HydrophobicContact CD2-CG2 4.05Å; L515-T662 HydrophobicContact CD2-CG2 3.74Å; T610-T662 VanDerWaalsContact CA-O 3.31Å; T610-T662 WeakPolarHBondContact CA-O 3.37Å; L611-T662 WeakPolarHBondContact CB-OG1 3.24Å; L611-T662 PolarHBondContact N-O 3.42Å; L611-T662 VanDerWaalsContact N-O 3.09Å; L611-T662 PolarHBondContact O-N 3.04Å; L611-T662 PolarHBondContact O-OG1 3.01Å; V613-T662 HydrophobicContact CG2-CG2 4.37Å
663	A	91.5	Very high	91.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	109.9	176.5	0	0	0	0	0	110.3	R421 Q422 F603 L608 R609	R421-A663 PolarHBondContact N-O 3.35Å; Q422-A663 HydrophobicContact CB-CB 4.05Å; Q422-A663 PolarHBondContact N-O 3.28Å; Q422-A663 WeakPolarHBondContact O-CA 3.35Å; Q422-A663 VanDerWaalsContact O-CB 3.31Å; Q422-A663 WeakPolarHBondContact O-CB 3.11Å; Q422-A663 PolarHBondContact O-N 2.95Å; F603-A663 HydrophobicContact CB-CB 4.22Å; F603-A663 HydrophobicContact CD1-CB 4.03Å; F603-A663 HydrophobicContact CD2-CB 3.69Å; F603-A663 HydrophobicContact CE1-CB 4.32Å; F603-A663 HydrophobicContact CE2-CB 3.98Å; F603-A663 HydrophobicContact CG-CB 3.72Å; F603-A663 HydrophobicContact CZ-CB 4.29Å; L608-A663 HydrophobicContact CB-CB 3.95Å; L608-A663 HydrophobicContact CD1-CB 3.74Å; L608-A663 HydrophobicContact CG-CB 4.49Å; R609-A663 CarbonylContact O-C 3.6Å; R609-A663 WeakPolarHBondContact O-CA 3.36Å
664	I	89.7	Confident	91.4	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.9	-173.8	-55.1	173.8	0	0	0	109.1	L418 L419 L420 D511 T514 L515 R609 L611	L418-I664 HydrophobicContact CB-CG2 3.78Å; L418-I664 HydrophobicContact CD1-CG2 4.45Å; L418-I664 HydrophobicContact CD2-CG2 4.44Å; L418-I664 HydrophobicContact CG-CG2 4.45Å; L419-I664 CarbonylContact O-C 3.54Å; L419-I664 WeakPolarHBondContact O-CA 3.33Å; L420-I664 HydrophobicContact CD1-CG1 4.11Å; D511-I664 HydrophobicContact CB-CD1 4.33Å; T514-I664 HydrophobicContact CG2-CG2 4.31Å; L515-I664 HydrophobicContact CD1-CD1 4.39Å; L515-I664 HydrophobicContact CD2-CD1 3.9Å; L515-I664 HydrophobicContact CD2-CG1 4.38Å; L515-I664 HydrophobicContact CG-CD1 3.95Å; R609-I664 HydrophobicContact CB-CB 4.32Å; R609-I664 WeakPolarHBondContact CB-O 3.44Å; R609-I664 PolarHBondContact N-O 3.36Å; R609-I664 PolarHBondContact O-N 3.39Å; L611-I664 HydrophobicContact CD1-CD1 4.28Å
665	E	87.6	Confident	91.5	Very high	33 Å²	33	24.4 Å²	24.4	15%	0.154	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	128.6	172.7	-173	-168.6	170	0	0	109.9	L418 L419 R421 L608 R667	L418-E665 WeakPolarHBondContact CA-O 3.32Å; L419-E665 PolarHBondContact N-O 3.34Å; L419-E665 PolarHBondContact O-N 2.77Å; R421-E665 HydrophobicContact CG-CB 3.64Å; R421-E665 WeakPolarHBondContact CG-OE2 3.43Å; R421-E665 IonicContact CZ-OE2 2.82Å; R421-E665 IonicContact NE-OE2 3.46Å; R421-E665 PolarHBondContact NE-OE2 2.9Å; R421-E665 IonicContact NH2-OE1 2.61Å; R421-E665 IonicContact NH2-OE2 3.64Å; R421-E665 PolarHBondContact NH2-OE2 2.8Å; L608-E665 HydrophobicContact CD2-CB 3.72Å; L608-E665 HydrophobicContact CD2-CG 4.16Å; E665-R667 PolarHBondContact O-N 3.39Å
666	D	87.5	Confident	91.6	Very high	11 Å²	11	20.3 Å²	20.3	6%	0.059	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	97.8	163.7	-173.7	1.7	0	0	0	108.9	K409 T414 L418 R609 L668 I700	K409-D666 IonicContact NZ-OD2 3.1Å; T414-D666 WeakPolarHBondContact CB-OD1 3.39Å; L418-D666 HydrophobicContact CD2-CB 3.62Å; R609-D666 IonicContact CZ-OD2 3.85Å; R609-D666 IonicContact NE-OD2 2.6Å; R609-D666 IonicContact NH2-OD2 2.69Å; R609-D666 PolarHBondContact NH2-OD2 3.09Å; D666-L668 PolarHBondContact O-N 3.49Å; D666-I700 HydrophobicContact CB-CD1 3.97Å
667	R	86.7	Confident	91.5	Very high	68 Å²	68	21.8 Å²	21.8	26%	0.257	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	125.1	-164.8	-167.3	-179.4	-174.6	-158.2	5.8	111.3	T414 Q415 R417 E665	T414-R667 CarbonylContact C-O 3.5Å; T414-R667 WeakPolarHBondContact CA-O 3.44Å; Q415-R667 PolarHBondContact N-O 3.02Å; Q415-R667 VanDerWaalsContact OE1-NH1 3.1Å; R417-R667 WeakPolarHBondContact O-CB 3.19Å; R417-R667 PolarHBondContact O-N 3.23Å; E665-R667 PolarHBondContact O-N 3.39Å
668	L	90.8	Very high	91.4	Very high	26 Å²	26	21.1 Å²	21.1	14%	0.136	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	154.1	173.1	-59.3	-177.3	0	0	0	112.1	L413 T414 Q415 D666 V672 P673 I700 A703 C704	L413-L668 CarbonylContact O-C 3.43Å; L413-L668 WeakPolarHBondContact O-CA 3.38Å; T414-L668 HydrophobicContact CG2-CD2 4.15Å; Q415-L668 WeakPolarHBondContact CG-O 3.11Å; Q415-L668 PolarHBondContact NE2-O 3.31Å; D666-L668 PolarHBondContact O-N 3.49Å; L668-V672 HydrophobicContact CB-CB 4.5Å; L668-P673 HydrophobicContact CD1-CG 3.9Å; L668-I700 HydrophobicContact CD2-CD1 3.98Å; L668-I700 HydrophobicContact CD2-CG2 4.23Å; L668-A703 HydrophobicContact CD1-CB 3.99Å; L668-C704 WeakPolarHBondContact CD2-SG 3.36Å
669	Q	89.8	Confident	91.4	Very high	10 Å²	10	20.5 Å²	20.5	5%	0.047	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-61.7	156.3	165.6	-63.8	-166.5	9.1	0	0	110.7	G411 T412 L413 Q415 G671 V672	G411-Q669 PolarHBondContact O-NE2 3.36Å; T412-Q669 PolarHBondContact O-NE2 3Å; T412-Q669 VanDerWaalsContact O-NE2 3.13Å; L413-Q669 PolarHBondContact O-N 3.47Å; Q415-Q669 HydrophobicContact CG-CB 4.43Å; Q415-Q669 HydrophobicContact CG-CG 4.04Å; Q669-G671 PolarHBondContact O-N 3.19Å; Q669-V672 HydrophobicContact CB-CG2 3.6Å; Q669-V672 WeakPolarHBondContact O-CG2 3.41Å; Q669-V672 PolarHBondContact O-N 3.32Å
670	E	89.4	Confident	91.3	Very high	96 Å²	96	22.4 Å²	22.4	45%	0.449	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	128.7	-179.2	-169.3	-175.3	153.5	0	0	110.3	R877	E670-R877 WeakPolarHBondContact O-CB 3.33Å; E670-R877 IonicContact OE1-CZ 3.69Å; E670-R877 IonicContact OE1-NH1 3.5Å; E670-R877 PolarHBondContact OE1-NH1 3.12Å; E670-R877 IonicContact OE2-NH1 3.07Å
671	G	89.1	Confident	91.1	Very high	21 Å²	21	27.5 Å²	27.5	22%	0.216	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	7.9	175.3	0	0	0	0	0	115.8	Q669 E674 T675	Q669-G671 PolarHBondContact O-N 3.19Å; G671-E674 WeakPolarHBondContact CA-OE2 3.49Å; G671-T675 VanDerWaalsContact O-CB 3.23Å; G671-T675 WeakPolarHBondContact O-CB 3.38Å; G671-T675 PolarHBondContact O-N 3.16Å; G671-T675 PolarHBondContact O-OG1 3.46Å
672	V	94.1	Very high	91	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.7	-51	-177.1	169.3	0	0	0	0	112.9	L413 L668 Q669 E674 T675 I676 C704 F876	L413-V672 HydrophobicContact CD2-CG1 3.78Å; L668-V672 HydrophobicContact CB-CB 4.5Å; Q669-V672 HydrophobicContact CB-CG2 3.6Å; Q669-V672 WeakPolarHBondContact O-CG2 3.41Å; Q669-V672 PolarHBondContact O-N 3.32Å; V672-E674 VanDerWaalsContact C-N 3.33Å; V672-E674 PolarHBondContact O-N 3.25Å; V672-T675 PolarHBondContact O-N 3.12Å; V672-I676 HydrophobicContact CG1-CD1 3.72Å; V672-I676 HydrophobicContact CG1-CG1 4.46Å; V672-I676 WeakPolarHBondContact O-CG1 3.43Å; V672-I676 PolarHBondContact O-N 2.99Å; V672-C704 HydrophobicContact CG1-CB 4.39Å; V672-C704 VanDerWaalsContact CG1-SG 3.6Å; V672-F876 HydrophobicContact CB-CD1 4.38Å; V672-F876 HydrophobicContact CG1-CD1 4.32Å; V672-F876 HydrophobicContact CG1-CE1 4.47Å; V672-F876 HydrophobicContact CG2-CB 3.9Å; V672-F876 HydrophobicContact CG2-CD1 3.87Å; V672-F876 HydrophobicContact CG2-CG 4.09Å
673	P	91.6	Very high	90.8	Very high	19 Å²	19	28.9 Å²	28.9	12%	0.123	16%	0.155	C	C	.	.	H	α-helix	trans	-60.8	-41.3	-179.4	-22.1	33.5	0	0	0	112.7	L668 I676 A677 R705	L668-P673 HydrophobicContact CD1-CG 3.9Å; P673-I676 PolarHBondContact O-N 3.43Å; P673-A677 WeakPolarHBondContact O-CB 3.43Å; P673-A677 PolarHBondContact O-N 3.43Å; P673-R705 HydrophobicContact CB-CG 4.32Å
674	E	92.3	Very high	90.8	Very high	74 Å²	74	29 Å²	29	35%	0.346	16%	0.155	S	C	.	.	H	α-helix	trans	-65.3	-43.7	178.4	-59.5	73.3	-157	0	0	110.7	G671 V672 A677 L678	G671-E674 WeakPolarHBondContact CA-OE2 3.49Å; V672-E674 VanDerWaalsContact C-N 3.33Å; V672-E674 PolarHBondContact O-N 3.25Å; E674-A677 PolarHBondContact O-N 3.13Å; E674-L678 WeakPolarHBondContact O-CG 3.49Å; E674-L678 PolarHBondContact O-N 3.11Å
675	T	94.9	Very high	90.9	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-63	-45.9	178.3	-61.7	0	0	0	0	111.2	G671 V672 A677 L678 L679 F876 R877 L879 Q880	G671-T675 VanDerWaalsContact O-CB 3.23Å; G671-T675 WeakPolarHBondContact O-CB 3.38Å; G671-T675 PolarHBondContact O-N 3.16Å; G671-T675 PolarHBondContact O-OG1 3.46Å; V672-T675 PolarHBondContact O-N 3.12Å; T675-A677 VanDerWaalsContact C-N 3.35Å; T675-A677 PolarHBondContact O-N 3.27Å; T675-L678 PolarHBondContact O-N 3.08Å; T675-L679 HydrophobicContact CG2-CD1 3.84Å; T675-L679 HydrophobicContact CG2-CG 4.28Å; T675-L679 WeakPolarHBondContact O-CB 3.18Å; T675-L679 WeakPolarHBondContact O-CG 3.02Å; T675-L679 PolarHBondContact O-N 3.04Å; T675-F876 HydrophobicContact CG2-CD1 3.92Å; T675-F876 HydrophobicContact CG2-CE1 3.66Å; T675-R877 WeakPolarHBondContact OG1-CA 3.47Å; T675-L879 HydrophobicContact CG2-CB 4.4Å; T675-Q880 HydrophobicContact CG2-CB 4.06Å; T675-Q880 PolarHBondContact OG1-OE1 3.33Å
676	I	93.6	Very high	91.2	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-62.8	-43.1	179.1	-71.5	169.9	0	0	0	110.8	L413 V672 P673 L678 L679 Q680 C704 L706 F876	L413-I676 HydrophobicContact CD2-CD1 4.06Å; V672-I676 HydrophobicContact CG1-CD1 3.72Å; V672-I676 HydrophobicContact CG1-CG1 4.46Å; V672-I676 WeakPolarHBondContact O-CG1 3.43Å; V672-I676 PolarHBondContact O-N 2.99Å; P673-I676 PolarHBondContact O-N 3.43Å; I676-L678 PolarHBondContact O-N 2.96Å; I676-L679 PolarHBondContact O-N 3.31Å; I676-Q680 HydrophobicContact CG2-CG 4.39Å; I676-Q680 WeakPolarHBondContact O-CG 3.36Å; I676-Q680 PolarHBondContact O-N 3.17Å; I676-C704 HydrophobicContact CD1-CB 3.72Å; I676-L706 HydrophobicContact CG2-CD1 4.2Å; I676-F876 HydrophobicContact CD1-CE1 4.41Å; I676-F876 HydrophobicContact CG1-CE1 3.88Å; I676-F876 HydrophobicContact CG1-CZ 4.14Å
677	A	91	Very high	91.4	Very high	30 Å²	30	31.2 Å²	31.2	25%	0.248	16%	0.161	C	C	.	.	H	α-helix	trans	-58.5	-48.8	176.1	0	0	0	0	0	111.6	P673 E674 T675 L679 Q680 E681	P673-A677 WeakPolarHBondContact O-CB 3.43Å; P673-A677 PolarHBondContact O-N 3.43Å; E674-A677 PolarHBondContact O-N 3.13Å; T675-A677 VanDerWaalsContact C-N 3.35Å; T675-A677 PolarHBondContact O-N 3.27Å; A677-L679 VanDerWaalsContact C-N 3.33Å; A677-L679 PolarHBondContact O-N 3.22Å; A677-Q680 PolarHBondContact O-N 3.36Å; A677-E681 WeakPolarHBondContact O-CG 3.42Å; A677-E681 PolarHBondContact O-N 3.45Å
678	L	92.1	Very high	91.7	Very high	38 Å²	38	28.2 Å²	28.2	20%	0.199	15%	0.151	C	C	.	.	H	α-helix	trans	-61.4	-39.4	177.6	-70.2	171.9	0	0	0	112.6	E674 T675 I676 E681 A682 Q880 L884 P963	E674-L678 WeakPolarHBondContact O-CG 3.49Å; E674-L678 PolarHBondContact O-N 3.11Å; T675-L678 PolarHBondContact O-N 3.08Å; I676-L678 PolarHBondContact O-N 2.96Å; L678-E681 PolarHBondContact O-N 3.19Å; L678-A682 WeakPolarHBondContact O-CB 3.34Å; L678-A682 PolarHBondContact O-N 3.4Å; L678-Q880 HydrophobicContact CD1-CB 4.46Å; L678-L884 HydrophobicContact CB-CD1 4.34Å; L678-P963 HydrophobicContact CB-CG 4.4Å; L678-P963 HydrophobicContact CD2-CG 3.59Å; L678-P963 WeakPolarHBondContact O-CB 3.34Å
679	L	94.1	Very high	91.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-67.3	-39.8	177	-66.9	173	0	0	0	111.6	L405 T675 I676 A677 A682 G683 I684 L879 L883	L405-L679 HydrophobicContact CD2-CD1 3.83Å; T675-L679 HydrophobicContact CG2-CD1 3.84Å; T675-L679 HydrophobicContact CG2-CG 4.28Å; T675-L679 WeakPolarHBondContact O-CB 3.18Å; T675-L679 WeakPolarHBondContact O-CG 3.02Å; T675-L679 PolarHBondContact O-N 3.04Å; I676-L679 PolarHBondContact O-N 3.31Å; A677-L679 VanDerWaalsContact C-N 3.33Å; A677-L679 PolarHBondContact O-N 3.22Å; L679-A682 WeakPolarHBondContact O-CB 3.27Å; L679-A682 PolarHBondContact O-N 3.44Å; L679-G683 PolarHBondContact O-N 3.13Å; L679-I684 HydrophobicContact CB-CB 4.33Å; L679-I684 HydrophobicContact CB-CD1 4.38Å; L679-I684 HydrophobicContact CD2-CD1 3.58Å; L679-I684 WeakPolarHBondContact O-CB 3.44Å; L679-I684 PolarHBondContact O-N 3.09Å; L679-L879 HydrophobicContact CD1-CD2 3.98Å; L679-L879 HydrophobicContact CD1-CG 4.37Å; L679-L883 HydrophobicContact CD2-CD1 3.8Å
680	Q	91.1	Very high	91.4	Very high	43 Å²	43	26.6 Å²	26.6	20%	0.201	14%	0.142	C	C	.	.	H	α-helix	trans	-64.5	-42.7	174.6	-74.1	-178.2	-26.2	0	0	111.7	I676 A677 A682 G683	I676-Q680 HydrophobicContact CG2-CG 4.39Å; I676-Q680 WeakPolarHBondContact O-CG 3.36Å; I676-Q680 PolarHBondContact O-N 3.17Å; A677-Q680 PolarHBondContact O-N 3.36Å; Q680-A682 VanDerWaalsContact C-N 3.3Å; Q680-A682 PolarHBondContact O-N 2.93Å; Q680-G683 WeakPolarHBondContact O-CA 3.23Å; Q680-G683 PolarHBondContact O-N 3.42Å
681	E	89.9	Confident	90.7	Very high	107 Å²	107	24.3 Å²	24.3	50%	0.5	14%	0.144	S	C	.	.	H	α-helix	trans	-61.1	-38.2	174.3	-73.1	178.6	-172.4	0	0	112.5	A677 L678 G683 P963 K967	A677-E681 WeakPolarHBondContact O-CG 3.42Å; A677-E681 PolarHBondContact O-N 3.45Å; L678-E681 PolarHBondContact O-N 3.19Å; E681-G683 PolarHBondContact O-N 3.48Å; E681-G683 VanDerWaalsContact O-N 3.15Å; E681-P963 HydrophobicContact CB-CB 4.18Å; E681-P963 HydrophobicContact CB-CG 4.32Å; E681-K967 VanDerWaalsContact O-CE 3.25Å; E681-K967 WeakPolarHBondContact O-CE 3.43Å; E681-K967 PolarHBondContact O-NZ 3.46Å
682	A	90.2	Very high	90	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-10	172.6	0	0	0	0	0	113.5	L678 L679 Q680 I684 L884 P963 Y966 K967	L678-A682 WeakPolarHBondContact O-CB 3.34Å; L678-A682 PolarHBondContact O-N 3.4Å; L679-A682 WeakPolarHBondContact O-CB 3.27Å; L679-A682 PolarHBondContact O-N 3.44Å; Q680-A682 VanDerWaalsContact C-N 3.3Å; Q680-A682 PolarHBondContact O-N 2.93Å; A682-I684 HydrophobicContact CB-CD1 4.35Å; A682-I684 HydrophobicContact CB-CG1 4.47Å; A682-L884 HydrophobicContact CB-CD2 3.58Å; A682-P963 WeakPolarHBondContact CA-O 3.48Å; A682-P963 HydrophobicContact CB-CB 3.86Å; A682-Y966 HydrophobicContact CB-CD1 4.2Å; A682-Y966 HydrophobicContact CB-CG 4.34Å; A682-K967 VanDerWaalsContact O-CG 3.28Å; A682-K967 WeakPolarHBondContact O-CG 3.4Å
683	G	89.1	Confident	89	Confident	29 Å²	29	26.6 Å²	26.6	30%	0.299	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	20.5	-178.1	0	0	0	0	0	113.8	L679 Q680 E681 Q970	L679-G683 PolarHBondContact O-N 3.13Å; Q680-G683 WeakPolarHBondContact O-CA 3.23Å; Q680-G683 PolarHBondContact O-N 3.42Å; E681-G683 PolarHBondContact O-N 3.48Å; E681-G683 VanDerWaalsContact O-N 3.15Å; G683-Q970 PolarHBondContact O-NE2 2.93Å; G683-Q970 VanDerWaalsContact O-NE2 3.14Å
684	I	93.1	Very high	88.4	Confident	3 Å²	3	27.9 Å²	27.9	2%	0.015	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-89.1	126.4	174	-58.9	165.5	0	0	0	108.5	V402 L405 L679 A682 L883 Y966	V402-I684 HydrophobicContact CG1-CG2 4.47Å; L405-I684 HydrophobicContact CB-CG2 3.88Å; L679-I684 HydrophobicContact CB-CB 4.33Å; L679-I684 HydrophobicContact CB-CD1 4.38Å; L679-I684 HydrophobicContact CD2-CD1 3.58Å; L679-I684 WeakPolarHBondContact O-CB 3.44Å; L679-I684 PolarHBondContact O-N 3.09Å; A682-I684 HydrophobicContact CB-CD1 4.35Å; A682-I684 HydrophobicContact CB-CG1 4.47Å; I684-L883 HydrophobicContact CD1-CD1 4.03Å; I684-Y966 HydrophobicContact CD1-CD1 4.2Å; I684-Y966 HydrophobicContact CD1-CE1 3.75Å; I684-Y966 HydrophobicContact CG1-CD1 4.27Å; I684-Y966 HydrophobicContact CG1-CE1 3.87Å
685	R	91.4	Very high	87.7	Confident	89 Å²	89	26.9 Å²	26.9	34%	0.336	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	118.5	176.8	-67.7	173.9	176.6	-168.1	-14.7	109.4	G403 Y404 L405 E805	G403-R685 PolarHBondContact O-N 2.87Å; Y404-R685 WeakPolarHBondContact CA-O 3.38Å; Y404-R685 HydrophobicContact CD1-CB 3.76Å; Y404-R685 HydrophobicContact CE1-CB 3.9Å; Y404-R685 VanDerWaalsContact CE1-CD 3.48Å; Y404-R685 HydrophobicContact CE1-CG 4.32Å; Y404-R685 PolarHBondContact OH-NH1 3.22Å; L405-R685 PolarHBondContact N-O 3.5Å; R685-E805 VanDerWaalsContact CZ-O 3.27Å; R685-E805 VanDerWaalsContact NH1-CA 3.34Å; R685-E805 PolarHBondContact NH1-O 2.95Å; R685-E805 VanDerWaalsContact NH1-O 3.13Å; R685-E805 PolarHBondContact NH2-O 3.41Å
686	V	92.6	Very high	87	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	122	-179.2	-173.9	0	0	0	0	109.5	L405 L706	L405-V686 HydrophobicContact CB-CG2 4.38Å; L405-V686 HydrophobicContact CD2-CG1 4.28Å; L405-V686 HydrophobicContact CD2-CG2 4.19Å; L405-V686 CarbonylContact O-C 3.48Å; L405-V686 WeakPolarHBondContact O-CA 3.22Å; V686-L706 HydrophobicContact CB-CD1 3.91Å; V686-L706 HydrophobicContact CG1-CD1 4.23Å
687	W	93.2	Very high	86.4	Confident	1 Å²	1	27.2 Å²	27.2	0%	0.004	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	141.6	173.4	-62.5	10	0	0	0	108.6	Y404 L405 L406 S407 F800 M801 A804 V810 I823 V827	Y404-W687 HydrophobicContact CD1-CZ2 4.32Å; Y404-W687 AromaticContact CD1-NE1 3.92Å; Y404-W687 AromaticContact CE1-CZ2 3.97Å; Y404-W687 HydrophobicContact CE1-CZ2 3.97Å; Y404-W687 AromaticContact CE1-NE1 3.96Å; L405-W687 PolarHBondContact O-N 2.95Å; L406-W687 HydrophobicContact CD2-CB 3.68Å; L406-W687 HydrophobicContact CD2-CD2 3.92Å; L406-W687 HydrophobicContact CD2-CE3 3.71Å; L406-W687 HydrophobicContact CD2-CG 3.95Å; S407-W687 PolarHBondContact N-O 3.32Å; W687-F800 HydrophobicContact CH2-CE1 4.19Å; W687-F800 HydrophobicContact CZ3-CE1 4.2Å; W687-M801 HydrophobicContact CH2-CE 3.95Å; W687-M801 HydrophobicContact CH2-SD 3.86Å; W687-M801 HydrophobicContact CZ2-CE 4.47Å; W687-A804 HydrophobicContact CH2-CB 3.67Å; W687-A804 HydrophobicContact CZ2-CB 3.66Å; W687-V810 WeakPolarHBondContact CA-O 3.23Å; W687-V810 HydrophobicContact CB-CB 4.36Å; W687-V810 HydrophobicContact CD2-CB 3.72Å; W687-V810 HydrophobicContact CD2-CG1 4.33Å; W687-V810 HydrophobicContact CD2-CG2 3.97Å; W687-V810 HydrophobicContact CE3-CB 4.17Å; W687-V810 HydrophobicContact CE3-CG1 4.27Å; W687-V810 HydrophobicContact CG-CB 3.81Å; W687-V810 HydrophobicContact CG-CG2 4.31Å; W687-V810 HydrophobicContact CH2-CG2 4.39Å; W687-V810 HydrophobicContact CZ2-CB 4.46Å; W687-V810 HydrophobicContact CZ2-CG2 3.82Å; W687-I823 HydrophobicContact CE3-CG2 4.37Å; W687-I823 HydrophobicContact CZ3-CG2 4.23Å; W687-V827 HydrophobicContact CE3-CG2 4.13Å; W687-V827 HydrophobicContact CH2-CG2 3.76Å; W687-V827 HydrophobicContact CZ3-CG2 3.46Å; W687-V827 VanDerWaalsContact CZ3-CG2 3.46Å
688	V	92.3	Very high	86.1	Confident	5 Å²	5	26.3 Å²	26.3	3%	0.03	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	121.7	177.5	-176.7	0	0	0	0	108.8	S407 K409 L413 L706 V810 L811 C812	S407-V688 CarbonylContact O-C 3.55Å; S407-V688 VanDerWaalsContact O-CA 3.32Å; S407-V688 WeakPolarHBondContact O-CA 3.22Å; K409-V688 HydrophobicContact CB-CG1 3.88Å; L413-V688 HydrophobicContact CD1-CG1 4.29Å; L413-V688 HydrophobicContact CD1-CG2 3.97Å; V688-L706 HydrophobicContact CG2-CD2 3.55Å; V688-V810 PolarHBondContact N-O 3.42Å; V688-L811 HydrophobicContact CB-CD2 3.66Å; V688-L811 HydrophobicContact CG2-CD2 3.99Å; V688-C812 PolarHBondContact O-N 3.16Å
689	L	89.7	Confident	85.6	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	101.1	179.3	-52.7	-177.1	0	0	0	108.2	L406 S407 C812 K820 I823 M847	L406-L689 HydrophobicContact CB-CD1 4.16Å; L406-L689 HydrophobicContact CD2-CD1 4.42Å; S407-L689 PolarHBondContact O-N 2.93Å; L689-C812 HydrophobicContact CD2-CB 3.58Å; L689-C812 VanDerWaalsContact CD2-SG 3.51Å; L689-K820 HydrophobicContact CB-CG 4.22Å; L689-K820 VanDerWaalsContact O-CE 3.23Å; L689-K820 WeakPolarHBondContact O-CE 3.3Å; L689-K820 PolarHBondContact O-NZ 2.91Å; L689-I823 HydrophobicContact CD1-CB 4.35Å; L689-I823 HydrophobicContact CD1-CG2 4.18Å; L689-I823 HydrophobicContact CD2-CD1 4.03Å; L689-I823 HydrophobicContact CD2-CG2 3.98Å; L689-M847 HydrophobicContact CD1-SD 3.82Å
690	T	84.6	Confident	85.3	Confident	2 Å²	2	25.2 Å²	25.2	1%	0.012	14%	0.137	C	C	.	.			trans	-120.9	145.6	-174.9	-175.8	0	0	0	0	112.9	D692 A697 C812 C813 R814 V815	T690-D692 HydrophobicContact CG2-CB 4.18Å; T690-D692 WeakPolarHBondContact OG1-CB 3.4Å; T690-D692 PolarHBondContact OG1-N 3.24Å; T690-A697 HydrophobicContact CG2-CB 3.71Å; T690-C812 PolarHBondContact N-O 3.39Å; T690-C813 CarbonylContact O-C 3.54Å; T690-R814 PolarHBondContact O-N 2.85Å; T690-V815 PolarHBondContact O-N 3.43Å
691	G	75.4	Confident	85.1	Confident	47 Å²	47	23.3 Å²	23.3	49%	0.485	13%	0.128	S	C	.	.	S	Bend	trans	-74.4	-11.2	167.1	0	0	0	0	0	113.2
692	D	74.4	Confident	84.8	Confident	32 Å²	32	19.8 Å²	19.8	17%	0.171	11%	0.11	C	C	.	.	S	Bend	trans	-72.9	168.5	-175.9	-78.6	-27.2	0	0	0	114.4	K409 T410 T690 R814	K409-D692 VanDerWaalsContact CD-OD2 3.28Å; K409-D692 WeakPolarHBondContact CD-OD2 3.49Å; K409-D692 WeakPolarHBondContact CE-OD2 3.4Å; K409-D692 IonicContact NZ-OD2 2.77Å; K409-D692 PolarHBondContact NZ-OD2 3.24Å; T410-D692 PolarHBondContact OG1-OD2 3.48Å; T690-D692 HydrophobicContact CG2-CB 4.18Å; T690-D692 WeakPolarHBondContact OG1-CB 3.4Å; T690-D692 PolarHBondContact OG1-N 3.24Å; D692-R814 WeakPolarHBondContact O-CG 3.25Å; D692-R814 PolarHBondContact O-N 3.03Å
693	K	73.4	Confident	84.6	Confident	37 Å²	37	21.4 Å²	21.4	16%	0.161	12%	0.124	C	C	.	.			trans	-61.9	151.4	169.1	-61.9	177.7	-176.8	166.5	0	110.8	E695 T696 A697 I1152	K693-E695 VanDerWaalsContact C-N 3.35Å; K693-E695 WeakPolarHBondContact CB-OE2 3.41Å; K693-E695 PolarHBondContact O-N 2.93Å; K693-T696 PolarHBondContact O-N 3.27Å; K693-A697 PolarHBondContact O-N 3.11Å; K693-A697 VanDerWaalsContact O-N 3.16Å; K693-I1152 PolarHBondContact NZ-O 3Å
694	K	77.9	Confident	84.6	Confident	46 Å²	46	20.1 Å²	20.1	20%	0.2	11%	0.11	C	C	.	.	H	α-helix	trans	-59.1	-45	-177.4	167.6	176	162.3	157.5	0	112.2	T696 A697 V698 E715 D782 C813	K694-T696 VanDerWaalsContact C-N 3.29Å; K694-T696 PolarHBondContact O-N 2.78Å; K694-A697 PolarHBondContact O-N 2.68Å; K694-A697 VanDerWaalsContact O-N 3.14Å; K694-V698 HydrophobicContact CG-CG2 4.24Å; K694-V698 WeakPolarHBondContact O-CG2 3.13Å; K694-V698 PolarHBondContact O-N 3.37Å; K694-E715 IonicContact NZ-OE1 3.05Å; K694-E715 PolarHBondContact NZ-OE1 2.98Å; K694-E715 IonicContact NZ-OE2 3.87Å; K694-E715 PolarHBondContact NZ-OE2 3.36Å; K694-E715 VanDerWaalsContact NZ-OE2 3.1Å; K694-D782 VanDerWaalsContact CD-OD2 3.27Å; K694-D782 WeakPolarHBondContact CD-OD2 3.23Å; K694-D782 WeakPolarHBondContact CE-OD2 3.33Å; K694-D782 IonicContact NZ-OD2 2.85Å; K694-D782 PolarHBondContact NZ-OD2 3.48Å; K694-C813 HydrophobicContact CB-CB 4.29Å
695	E	77.3	Confident	84.3	Confident	54 Å²	54	25.8 Å²	25.8	25%	0.252	13%	0.132	S	C	.	.	H	α-helix	trans	-59.3	-43.1	-176.5	-58.2	86.4	167.7	0	0	111	R558 K693 N699 Y1150	R558-E695 IonicContact NH1-OE1 3.78Å; K693-E695 VanDerWaalsContact C-N 3.35Å; K693-E695 WeakPolarHBondContact CB-OE2 3.41Å; K693-E695 PolarHBondContact O-N 2.93Å; E695-N699 WeakPolarHBondContact O-CB 3.4Å; E695-N699 VanDerWaalsContact O-CG 3.3Å; E695-N699 PolarHBondContact O-N 3.05Å; E695-Y1150 WeakPolarHBondContact CB-O 3.17Å
696	T	79.8	Confident	84	Confident	6 Å²	6	21.6 Å²	21.6	4%	0.037	12%	0.116	C	C	.	.	H	α-helix	trans	-64.3	-46.1	175.1	-50.3	0	0	0	0	112.2	K409 R609 K693 K694 V698 N699 I700 A1151	K409-T696 HydrophobicContact CD-CG2 4.48Å; R609-T696 VanDerWaalsContact NH2-CG2 3.26Å; K693-T696 PolarHBondContact O-N 3.27Å; K694-T696 VanDerWaalsContact C-N 3.29Å; K694-T696 PolarHBondContact O-N 2.78Å; T696-V698 VanDerWaalsContact C-N 3.32Å; T696-V698 PolarHBondContact O-N 3.39Å; T696-N699 PolarHBondContact O-N 3.33Å; T696-I700 WeakPolarHBondContact O-CG1 3.29Å; T696-I700 PolarHBondContact O-N 3.5Å; T696-A1151 VanDerWaalsContact OG1-CB 3.31Å; T696-A1151 WeakPolarHBondContact OG1-CB 3.43Å
697	A	83.1	Confident	83.6	Confident	2 Å²	2	21.9 Å²	21.9	2%	0.017	12%	0.117	C	C	.	.	H	α-helix	trans	-62.3	-41.3	-179.8	0	0	0	0	0	111.9	T690 K693 K694 I700 G701 C813	T690-A697 HydrophobicContact CG2-CB 3.71Å; K693-A697 PolarHBondContact O-N 3.11Å; K693-A697 VanDerWaalsContact O-N 3.16Å; K694-A697 PolarHBondContact O-N 2.68Å; K694-A697 VanDerWaalsContact O-N 3.14Å; A697-I700 PolarHBondContact O-N 2.95Å; A697-G701 PolarHBondContact O-N 3.3Å; A697-C813 VanDerWaalsContact CB-SG 3.57Å
698	V	83.1	Confident	82.8	Confident	12 Å²	12	26.5 Å²	26.5	7%	0.073	14%	0.139	C	C	.	.	H	α-helix	trans	-64.9	-46.9	176.3	171.9	0	0	0	0	110.6	K694 T696 I700 G701 Y702 L707 L713 L811	K694-V698 HydrophobicContact CG-CG2 4.24Å; K694-V698 WeakPolarHBondContact O-CG2 3.13Å; K694-V698 PolarHBondContact O-N 3.37Å; T696-V698 VanDerWaalsContact C-N 3.32Å; T696-V698 PolarHBondContact O-N 3.39Å; V698-I700 VanDerWaalsContact C-N 3.34Å; V698-I700 PolarHBondContact O-N 3.47Å; V698-G701 WeakPolarHBondContact O-CA 3.1Å; V698-G701 PolarHBondContact O-N 3.01Å; V698-Y702 HydrophobicContact CG1-CD2 3.82Å; V698-Y702 HydrophobicContact CG1-CE2 3.46Å; V698-Y702 VanDerWaalsContact CG1-CE2 3.46Å; V698-Y702 WeakPolarHBondContact O-CD2 3.48Å; V698-Y702 PolarHBondContact O-N 3.25Å; V698-L707 HydrophobicContact CG1-CD1 4.25Å; V698-L713 HydrophobicContact CG1-CD1 4.46Å; V698-L811 HydrophobicContact CG2-CD1 4.24Å
699	N	82.9	Confident	81.8	Confident	7 Å²	7	31.6 Å²	31.6	4%	0.037	17%	0.172	C	C	.	.	H	α-helix	trans	-58.8	-44.3	177.2	-74.2	-8.6	0	0	0	112.3	E695 T696 G701 Y702 A703 R1147 S1149	E695-N699 WeakPolarHBondContact O-CB 3.4Å; E695-N699 VanDerWaalsContact O-CG 3.3Å; E695-N699 PolarHBondContact O-N 3.05Å; T696-N699 PolarHBondContact O-N 3.33Å; N699-G701 VanDerWaalsContact C-N 3.33Å; N699-G701 PolarHBondContact O-N 3.05Å; N699-Y702 PolarHBondContact O-N 3.4Å; N699-A703 WeakPolarHBondContact O-CB 3.31Å; N699-A703 PolarHBondContact O-N 3.33Å; N699-R1147 PolarHBondContact OD1-NH2 3.14Å; N699-S1149 PolarHBondContact ND2-O 3.01Å
700	I	86.4	Confident	81	Confident	8 Å²	8	40.1 Å²	40.1	4%	0.041	21%	0.212	C	C	.	.	H	α-helix	trans	-65.5	-36.6	173.5	-66.9	-57.6	0	0	0	111.7	K409 L413 T414 D666 L668 T696 A697 V698 Y702 A703 C704	K409-I700 HydrophobicContact CD-CG1 4.04Å; K409-I700 HydrophobicContact CG-CB 4.27Å; K409-I700 HydrophobicContact CG-CG1 4.26Å; K409-I700 HydrophobicContact CG-CG2 3.91Å; L413-I700 HydrophobicContact CD1-CG2 4.37Å; T414-I700 HydrophobicContact CG2-CD1 3.76Å; T414-I700 HydrophobicContact CG2-CG1 4.22Å; D666-I700 HydrophobicContact CB-CD1 3.97Å; L668-I700 HydrophobicContact CD2-CD1 3.98Å; L668-I700 HydrophobicContact CD2-CG2 4.23Å; T696-I700 WeakPolarHBondContact O-CG1 3.29Å; T696-I700 PolarHBondContact O-N 3.5Å; A697-I700 PolarHBondContact O-N 2.95Å; V698-I700 VanDerWaalsContact C-N 3.34Å; V698-I700 PolarHBondContact O-N 3.47Å; I700-Y702 VanDerWaalsContact C-N 3.3Å; I700-Y702 PolarHBondContact O-N 3.39Å; I700-A703 PolarHBondContact O-N 2.88Å; I700-C704 VanDerWaalsContact O-CB 3.24Å; I700-C704 WeakPolarHBondContact O-CB 3.39Å; I700-C704 PolarHBondContact O-N 2.86Å; I700-C704 PolarHBondContact O-SG 3.31Å; I700-C704 VanDerWaalsContact O-SG 3.38Å
701	G	87.3	Confident	80.2	Confident	2 Å²	2	40.7 Å²	40.7	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-56.6	-42.5	174.4	0	0	0	0	0	112.7	A697 V698 N699 L706 L707	A697-G701 PolarHBondContact O-N 3.3Å; V698-G701 WeakPolarHBondContact O-CA 3.1Å; V698-G701 PolarHBondContact O-N 3.01Å; N699-G701 VanDerWaalsContact C-N 3.33Å; N699-G701 PolarHBondContact O-N 3.05Å; G701-L706 WeakPolarHBondContact O-CA 3.25Å; G701-L706 WeakPolarHBondContact O-CB 3.15Å; G701-L706 PolarHBondContact O-N 3.45Å; G701-L707 PolarHBondContact O-N 3.43Å
702	Y	84.8	Confident	80.2	Confident	33 Å²	33	46.1 Å²	46.1	13%	0.129	22%	0.222	C	C	.	.	H	α-helix	trans	-71.8	-44.8	173.8	-73.1	-74.1	0	0	0	112.4	C607 V698 N699 I700 C704 R705 L707 H708 R1147	C607-Y702 WeakPolarHBondContact SG-CB 3.03Å; V698-Y702 HydrophobicContact CG1-CD2 3.82Å; V698-Y702 HydrophobicContact CG1-CE2 3.46Å; V698-Y702 VanDerWaalsContact CG1-CE2 3.46Å; V698-Y702 WeakPolarHBondContact O-CD2 3.48Å; V698-Y702 PolarHBondContact O-N 3.25Å; N699-Y702 PolarHBondContact O-N 3.4Å; I700-Y702 VanDerWaalsContact C-N 3.3Å; I700-Y702 PolarHBondContact O-N 3.39Å; Y702-C704 VanDerWaalsContact C-N 3.27Å; Y702-C704 PolarHBondContact O-N 3.47Å; Y702-R705 PolarHBondContact O-N 3.27Å; Y702-L707 HydrophobicContact CD1-CB 3.57Å; Y702-L707 HydrophobicContact CD1-CD1 4.5Å; Y702-L707 HydrophobicContact CD2-CB 4.34Å; Y702-L707 HydrophobicContact CD2-CD1 3.8Å; Y702-L707 HydrophobicContact CE1-CB 3.66Å; Y702-L707 HydrophobicContact CE1-CD1 4.41Å; Y702-L707 HydrophobicContact CE2-CB 4.45Å; Y702-L707 HydrophobicContact CE2-CD1 3.74Å; Y702-L707 HydrophobicContact CG-CB 3.94Å; Y702-L707 HydrophobicContact CG-CD1 4.21Å; Y702-H708 WeakPolarHBondContact CE1-O 3.34Å; Y702-R1147 VanDerWaalsContact CD2-NH1 3.29Å; Y702-R1147 VanDerWaalsContact CE2-CZ 3.44Å
703	A	86.1	Confident	80.2	Confident	35 Å²	35	47.6 Å²	47.6	29%	0.289	23%	0.229	S	C	.	.	H	α-helix	trans	-58.5	-39.5	179.2	0	0	0	0	0	112.4	C607 L668 N699 I700 R705	C607-A703 HydrophobicContact CB-CB 4.19Å; L668-A703 HydrophobicContact CD1-CB 3.99Å; N699-A703 WeakPolarHBondContact O-CB 3.31Å; N699-A703 PolarHBondContact O-N 3.33Å; I700-A703 PolarHBondContact O-N 2.88Å; A703-R705 PolarHBondContact O-N 3.43Å
704	C	87.8	Confident	80.2	Confident	1 Å²	1	47 Å²	47	1%	0.007	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	0	177.1	-72.7	0	0	0	0	114.2	L668 V672 I676 I700 Y702 L706	L668-C704 WeakPolarHBondContact CD2-SG 3.36Å; V672-C704 HydrophobicContact CG1-CB 4.39Å; V672-C704 VanDerWaalsContact CG1-SG 3.6Å; I676-C704 HydrophobicContact CD1-CB 3.72Å; I700-C704 VanDerWaalsContact O-CB 3.24Å; I700-C704 WeakPolarHBondContact O-CB 3.39Å; I700-C704 PolarHBondContact O-N 2.86Å; I700-C704 PolarHBondContact O-SG 3.31Å; I700-C704 VanDerWaalsContact O-SG 3.38Å; Y702-C704 VanDerWaalsContact C-N 3.27Å; Y702-C704 PolarHBondContact O-N 3.47Å; C704-L706 PolarHBondContact O-N 3.48Å; C704-L706 VanDerWaalsContact O-N 3.13Å
705	R	86.1	Confident	80.1	Confident	122 Å²	122	47.6 Å²	47.6	46%	0.46	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	24	-170.9	-56.8	179.2	179.6	171.1	0.3	113.8	P673 Y702 A703 L707	P673-R705 HydrophobicContact CB-CG 4.32Å; Y702-R705 PolarHBondContact O-N 3.27Å; A703-R705 PolarHBondContact O-N 3.43Å; R705-L707 VanDerWaalsContact C-N 3.27Å
706	L	86.1	Confident	79.8	Confident	2 Å²	2	46 Å²	46	1%	0.01	22%	0.223	C	C	.	.	S	Bend	trans	-72.2	-30.7	169.6	-176.8	66.8	0	0	0	110.6	I676 V686 V688 G701 C704 S809 L811	I676-L706 HydrophobicContact CG2-CD1 4.2Å; V686-L706 HydrophobicContact CB-CD1 3.91Å; V686-L706 HydrophobicContact CG1-CD1 4.23Å; V688-L706 HydrophobicContact CG2-CD2 3.55Å; G701-L706 WeakPolarHBondContact O-CA 3.25Å; G701-L706 WeakPolarHBondContact O-CB 3.15Å; G701-L706 PolarHBondContact O-N 3.45Å; C704-L706 PolarHBondContact O-N 3.48Å; C704-L706 VanDerWaalsContact O-N 3.13Å; L706-S809 PolarHBondContact O-OG 3.02Å; L706-L811 HydrophobicContact CD2-CD2 3.92Å
707	L	83.4	Confident	79.1	Confident	5 Å²	5	50.2 Å²	50.2	3%	0.026	24%	0.243	C	C	.	.	S	Bend	trans	-112.6	133.5	175.2	-55.4	-178	0	0	0	110	V698 G701 Y702 R705 L713 L780 L811	V698-L707 HydrophobicContact CG1-CD1 4.25Å; G701-L707 PolarHBondContact O-N 3.43Å; Y702-L707 HydrophobicContact CD1-CB 3.57Å; Y702-L707 HydrophobicContact CD1-CD1 4.5Å; Y702-L707 HydrophobicContact CD2-CB 4.34Å; Y702-L707 HydrophobicContact CD2-CD1 3.8Å; Y702-L707 HydrophobicContact CE1-CB 3.66Å; Y702-L707 HydrophobicContact CE1-CD1 4.41Å; Y702-L707 HydrophobicContact CE2-CB 4.45Å; Y702-L707 HydrophobicContact CE2-CD1 3.74Å; Y702-L707 HydrophobicContact CG-CB 3.94Å; Y702-L707 HydrophobicContact CG-CD1 4.21Å; R705-L707 VanDerWaalsContact C-N 3.27Å; L707-L713 HydrophobicContact CD1-CD2 4.45Å; L707-L780 HydrophobicContact CD2-CD1 3.32Å; L707-L780 HydrophobicContact CD2-CD2 3.65Å; L707-L780 HydrophobicContact CD2-CG 4.05Å; L707-L811 HydrophobicContact CD1-CD1 4.03Å; L707-L811 HydrophobicContact CD2-CD1 4.49Å
708	H	77.8	Confident	78.1	Confident	98 Å²	98	55.6 Å²	55.6	45%	0.454	27%	0.267	S	S	.	.			trans	-90.1	148.6	167.3	-78.8	-71.3	0	0	0	110.6	Y702 E710 S711	Y702-H708 WeakPolarHBondContact CE1-O 3.34Å; H708-E710 PolarHBondContact O-N 3.46Å; H708-E710 VanDerWaalsContact O-N 3.08Å; H708-S711 WeakPolarHBondContact O-CB 3Å; H708-S711 PolarHBondContact O-N 3.42Å; H708-S711 PolarHBondContact O-OG 2.96Å
709	P	70.4	Confident	77	Confident	113 Å²	113	57.4 Å²	57.4	73%	0.734	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-31.1	176.3	-28.1	35.9	0	0	0	114	S711	P709-S711 VanDerWaalsContact C-N 3.33Å
710	E	72.7	Confident	75.7	Confident	178 Å²	178	57.8 Å²	57.8	83%	0.832	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-3.7	177.9	-58.4	-176.3	164.5	0	0	114.1	H708	H708-E710 PolarHBondContact O-N 3.46Å; H708-E710 VanDerWaalsContact O-N 3.08Å
711	S	69.1	Low	74.3	Confident	15 Å²	15	62.6 Å²	62.6	11%	0.105	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-70	136.9	-179.5	65.2	0	0	0	0	111.3	H708 P709	H708-S711 WeakPolarHBondContact O-CB 3Å; H708-S711 PolarHBondContact O-N 3.42Å; H708-S711 PolarHBondContact O-OG 2.96Å; P709-S711 VanDerWaalsContact C-N 3.33Å
712	R	73.8	Confident	72.6	Confident	161 Å²	161	68.1 Å²	68.1	61%	0.608	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	123	175.5	-179.6	176	174	175.1	-0.9	110.3	L714 S778 L780	R712-L714 HydrophobicContact CG-CD2 4.19Å; R712-S778 PolarHBondContact N-O 3.27Å; R712-S778 VanDerWaalsContact N-O 3.13Å; R712-L780 WeakPolarHBondContact O-CB 3.41Å; R712-L780 PolarHBondContact O-N 3.22Å
713	L	75.4	Confident	70.9	Confident	62 Å²	62	70.8 Å²	70.8	33%	0.325	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	127	170.1	-52.8	177.9	0	0	0	109.8	V698 L707 L780	V698-L713 HydrophobicContact CG1-CD1 4.46Å; L707-L713 HydrophobicContact CD1-CD2 4.45Å; L713-L780 HydrophobicContact CD2-CB 4.44Å; L713-L780 HydrophobicContact CD2-CD2 3.27Å; L713-L780 HydrophobicContact CD2-CG 4.44Å
714	L	73.1	Confident	69.1	Low	24 Å²	24	72.9 Å²	72.9	13%	0.126	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	117.9	173.4	-55.8	171.2	0	0	0	109.4	R712 L719 K779 L780 L781 D782	R712-L714 HydrophobicContact CG-CD2 4.19Å; L714-L719 HydrophobicContact CB-CD1 4.22Å; L714-K779 HydrophobicContact CD1-CB 3.9Å; L714-K779 HydrophobicContact CD1-CD 4.39Å; L714-K779 HydrophobicContact CD1-CG 4.35Å; L714-L780 WeakPolarHBondContact CA-O 3.02Å; L714-L780 WeakPolarHBondContact CB-O 3.07Å; L714-L780 WeakPolarHBondContact CG-O 3.35Å; L714-L780 PolarHBondContact N-O 2.7Å; L714-L781 HydrophobicContact CB-CD1 4.14Å; L714-L781 CarbonylContact O-C 3.46Å; L714-L781 WeakPolarHBondContact O-CA 3.34Å; L714-D782 WeakPolarHBondContact O-CA 3.3Å; L714-D782 PolarHBondContact O-N 3.45Å
715	E	75	Confident	67	Low	60 Å²	60	82.4 Å²	82.4	28%	0.28	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	130.9	179.9	-59.2	-170.9	-163	0	0	111.5	K694 Q717 E718 L719 D782	K694-E715 IonicContact NZ-OE1 3.05Å; K694-E715 PolarHBondContact NZ-OE1 2.98Å; K694-E715 IonicContact NZ-OE2 3.87Å; K694-E715 PolarHBondContact NZ-OE2 3.36Å; K694-E715 VanDerWaalsContact NZ-OE2 3.1Å; E715-Q717 VanDerWaalsContact C-N 3.26Å; E715-Q717 PolarHBondContact O-N 2.87Å; E715-E718 HydrophobicContact CB-CG 4.22Å; E715-E718 PolarHBondContact O-N 3.35Å; E715-L719 PolarHBondContact O-N 3.34Å; E715-D782 CarbonylContact C-O 3.44Å; E715-D782 WeakPolarHBondContact CA-O 3.12Å; E715-D782 HydrophobicContact CG-CB 4.48Å
716	W	71.3	Confident	64.9	Low	20 Å²	20	79.8 Å²	79.8	8%	0.076	39%	0.39	C	S	.	.	H	α-helix	trans	-57.9	-36.2	179.9	178.8	-106.8	0	0	0	113.7	E718 L719 S720 L781 D782 C783 F790 W796 F800 L803	W716-E718 VanDerWaalsContact C-N 3.32Å; W716-E718 PolarHBondContact O-N 2.89Å; W716-L719 PolarHBondContact O-N 3.23Å; W716-L719 VanDerWaalsContact O-N 3.16Å; W716-S720 PolarHBondContact O-N 3.35Å; W716-L781 HydrophobicContact CE3-CD2 4.36Å; W716-D782 PolarHBondContact N-O 3.31Å; W716-C783 HydrophobicContact CB-CB 4.18Å; W716-C783 VanDerWaalsContact CB-SG 3.54Å; W716-F790 AromaticContact CE2-CZ 3.96Å; W716-F790 HydrophobicContact CH2-CE1 4.47Å; W716-F790 AromaticContact CZ2-CE1 3.88Å; W716-F790 HydrophobicContact CZ2-CE1 3.88Å; W716-F790 AromaticContact CZ2-CZ 3.81Å; W716-F790 HydrophobicContact CZ2-CZ 3.81Å; W716-W796 HydrophobicContact CZ2-CE3 4.25Å; W716-F800 HydrophobicContact CD2-CD2 4.49Å; W716-F800 HydrophobicContact CE3-CD2 4.11Å; W716-F800 HydrophobicContact CH2-CB 3.96Å; W716-F800 HydrophobicContact CH2-CD2 4.34Å; W716-F800 HydrophobicContact CZ3-CB 4.17Å; W716-F800 HydrophobicContact CZ3-CD2 4.03Å; W716-L803 HydrophobicContact CE3-CD2 4.47Å; W716-L803 HydrophobicContact CZ3-CD2 4.25Å
717	Q	65.1	Low	62.9	Low	95 Å²	95	84 Å²	84	44%	0.444	43%	0.425	S	S	.	.	H	α-helix	trans	-63.6	-37.4	-179.5	-69.7	173.9	-16.2	0	0	112	E715 L719 S720 L721	E715-Q717 VanDerWaalsContact C-N 3.26Å; E715-Q717 PolarHBondContact O-N 2.87Å; Q717-L719 VanDerWaalsContact C-N 3.31Å; Q717-L719 PolarHBondContact O-N 2.87Å; Q717-S720 PolarHBondContact O-OG 3.49Å; Q717-S720 VanDerWaalsContact O-OG 3.11Å; Q717-L721 WeakPolarHBondContact O-CD1 3.31Å; Q717-L721 VanDerWaalsContact O-CG 3.3Å; Q717-L721 WeakPolarHBondContact O-CG 3.4Å; Q717-L721 PolarHBondContact O-N 3.12Å
718	E	62	Low	60.7	Low	114 Å²	114	88.9 Å²	88.9	53%	0.533	46%	0.459	S	S	.	.	H	α-helix	trans	-67.5	-36	176	-63.6	-174.9	162.1	0	0	111.4	E715 W716 Q722	E715-E718 HydrophobicContact CB-CG 4.22Å; E715-E718 PolarHBondContact O-N 3.35Å; W716-E718 VanDerWaalsContact C-N 3.32Å; W716-E718 PolarHBondContact O-N 2.89Å; E718-Q722 WeakPolarHBondContact O-CG 3.17Å; E718-Q722 PolarHBondContact O-N 2.73Å
719	L	60.7	Low	58.6	Low	50 Å²	50	88 Å²	88	26%	0.262	46%	0.464	S	S	.	.	H	α-helix	trans	-75.4	-39.1	-179.8	-74.8	155.6	0	0	0	112.7	L714 E715 W716 Q717 Q722 T723 L781 L803	L714-L719 HydrophobicContact CB-CD1 4.22Å; E715-L719 PolarHBondContact O-N 3.34Å; W716-L719 PolarHBondContact O-N 3.23Å; W716-L719 VanDerWaalsContact O-N 3.16Å; Q717-L719 VanDerWaalsContact C-N 3.31Å; Q717-L719 PolarHBondContact O-N 2.87Å; L719-Q722 PolarHBondContact O-N 2.85Å; L719-T723 PolarHBondContact O-N 3.27Å; L719-T723 PolarHBondContact O-OG1 2.88Å; L719-L781 HydrophobicContact CD1-CD1 3.53Å; L719-L803 HydrophobicContact CD1-CD2 3.89Å
720	S	56.4	Low	56.7	Low	15 Å²	15	91.9 Å²	91.9	11%	0.105	47%	0.469	C	S	.	.	H	α-helix	trans	-64.7	-43.4	177.3	68.1	0	0	0	0	111.1	W716 Q717 Q722 T723 H724	W716-S720 PolarHBondContact O-N 3.35Å; Q717-S720 PolarHBondContact O-OG 3.49Å; Q717-S720 VanDerWaalsContact O-OG 3.11Å; S720-Q722 VanDerWaalsContact C-N 3.34Å; S720-Q722 PolarHBondContact O-N 3.28Å; S720-T723 WeakPolarHBondContact O-CB 3.3Å; S720-T723 PolarHBondContact O-N 3.31Å; S720-T723 VanDerWaalsContact O-N 3.15Å; S720-H724 PolarHBondContact O-CD2 2.71Å; S720-H724 PolarHBondContact O-N 2.96Å
721	L	57.1	Low	54.7	Low	109 Å²	109	89.2 Å²	89.2	57%	0.571	47%	0.468	S	S	*	.	H	α-helix	trans	-61.5	-38	176.7	-72.1	169.5	0	0	0	112.9	Q717 H724 R725	Q717-L721 WeakPolarHBondContact O-CD1 3.31Å; Q717-L721 VanDerWaalsContact O-CG 3.3Å; Q717-L721 WeakPolarHBondContact O-CG 3.4Å; Q717-L721 PolarHBondContact O-N 3.12Å; L721-H724 PolarHBondContact O-N 3.12Å; L721-R725 WeakPolarHBondContact O-CG 3.48Å; L721-R725 PolarHBondContact O-N 3.37Å
722	Q	50.8	Low	52.6	Low	118 Å²	118	94 Å²	94	55%	0.551	50%	0.501	S	S	*	.	H	α-helix	trans	-70.2	-34.7	175.3	-72.3	178	17.5	0	0	112.6	E718 L719 S720 S726	E718-Q722 WeakPolarHBondContact O-CG 3.17Å; E718-Q722 PolarHBondContact O-N 2.73Å; L719-Q722 PolarHBondContact O-N 2.85Å; S720-Q722 VanDerWaalsContact C-N 3.34Å; S720-Q722 PolarHBondContact O-N 3.28Å; Q722-S726 WeakPolarHBondContact O-CB 3.46Å; Q722-S726 PolarHBondContact O-N 3.48Å; Q722-S726 PolarHBondContact O-OG 2.9Å
723	T	49.7	Very low	50.7	Low	89 Å²	89	97.9 Å²	97.9	55%	0.546	52%	0.516	S	S	.	.	H	α-helix	trans	-66.9	-40.1	175.1	-49.4	0	0	0	0	110.6	L719 S720 S726 A727	L719-T723 PolarHBondContact O-N 3.27Å; L719-T723 PolarHBondContact O-OG1 2.88Å; S720-T723 WeakPolarHBondContact O-CB 3.3Å; S720-T723 PolarHBondContact O-N 3.31Å; S720-T723 VanDerWaalsContact O-N 3.15Å; T723-S726 PolarHBondContact O-N 3.29Å; T723-A727 PolarHBondContact O-N 3.33Å
724	H	47.3	Very low	48.5	Very low	79 Å²	79	103.9 Å²	103.9	37%	0.366	54%	0.542	S	S	.	.	H	α-helix	trans	-65.6	-45.4	174.5	-81.4	-68.6	0	0	0	114	S720 L721 S726 A727 S728 W796	S720-H724 PolarHBondContact O-CD2 2.71Å; S720-H724 PolarHBondContact O-N 2.96Å; L721-H724 PolarHBondContact O-N 3.12Å; H724-S726 PolarHBondContact O-N 2.89Å; H724-A727 PolarHBondContact O-N 3.13Å; H724-S728 PolarHBondContact O-N 2.86Å; H724-W796 AromaticContact CE1-CH2 3.83Å; H724-W796 AromaticContact CE1-CZ2 3.66Å; H724-W796 AromaticContact NE2-CH2 3.15Å; H724-W796 WeakPolarHBondContact NE2-CH2 3.46Å; H724-W796 AromaticContact NE2-CZ2 3.43Å; H724-W796 WeakPolarHBondContact NE2-CZ2 3.34Å
725	R	43.7	Very low	46.4	Very low	202 Å²	202	108.4 Å²	108.4	76%	0.762	58%	0.576	S	S	*	*	H	α-helix	trans	-60.6	-34.3	177.7	-76.6	-178.4	178.9	-179.2	1.1	112.1	L721 S729	L721-R725 WeakPolarHBondContact O-CG 3.48Å; L721-R725 PolarHBondContact O-N 3.37Å; R725-S729 PolarHBondContact O-N 3.46Å; R725-S729 PolarHBondContact O-OG 3.1Å
726	S	42.9	Very low	44	Very low	67 Å²	67	111.1 Å²	111.1	47%	0.469	60%	0.6	S	S	.	*	H	α-helix	trans	-78.1	-22.7	-178.8	-58.1	0	0	0	0	114.5	Q722 T723 H724	Q722-S726 WeakPolarHBondContact O-CB 3.46Å; Q722-S726 PolarHBondContact O-N 3.48Å; Q722-S726 PolarHBondContact O-OG 2.9Å; T723-S726 PolarHBondContact O-N 3.29Å; H724-S726 PolarHBondContact O-N 2.89Å
727	A	44	Very low	41.9	Very low	90 Å²	90	113 Å²	113	74%	0.744	63%	0.625	S	S	*	*	H	α-helix	trans	-86.6	-23	177.1	0	0	0	0	0	112.8	T723 H724	T723-A727 PolarHBondContact O-N 3.33Å; H724-A727 PolarHBondContact O-N 3.13Å
728	S	36.4	Very low	40.2	Very low	107 Å²	107	116.9 Å²	116.9	75%	0.748	65%	0.648	S	S	*	*	H	α-helix	trans	-96.9	-16	-176.1	-173.8	0	0	0	0	115	H724	H724-S728 PolarHBondContact O-N 2.86Å
729	S	33.1	Very low	38.7	Very low	80 Å²	80	119 Å²	119	56%	0.559	66%	0.658	S	S	*	*			trans	-99.7	112.7	-176.9	65.3	0	0	0	0	112.4	R725	R725-S729 PolarHBondContact O-N 3.46Å; R725-S729 PolarHBondContact O-OG 3.1Å
730	K	30.5	Very low	37.1	Very low	194 Å²	194	120.6 Å²	120.6	84%	0.843	67%	0.67	S	S	*	*			trans	-55.1	138.9	154.4	-76.8	179.7	177.7	176	0	108.2	S732	K730-S732 PolarHBondContact O-N 3.37Å
731	P	32	Very low	35.7	Very low	123 Å²	123	130.1 Å²	130.1	80%	0.799	70%	0.703	S	S	*	*			trans	-74.2	98.9	-174.2	29.5	-31.9	0	0	0	109.9	R733	P731-R733 PolarHBondContact O-N 3.42Å
732	S	25.2	Very low	34.3	Very low	116 Å²	116	135.1 Å²	135.1	81%	0.811	72%	0.715	S	S	*	*			trans	-77.4	117.3	160.1	49.9	0	0	0	0	108.4	K730 Q734	K730-S732 PolarHBondContact O-N 3.37Å; S732-Q734 PolarHBondContact O-N 3.44Å; S732-Q734 VanDerWaalsContact O-N 3.15Å
733	R	33.4	Very low	33.4	Very low	241 Å²	241	137 Å²	137	91%	0.909	72%	0.717	S	S	*	*			trans	-69.9	100	173.3	-77.8	176	169.3	171.8	-3.7	109	P731	P731-R733 PolarHBondContact O-N 3.42Å
734	Q	28.7	Very low	32.3	Very low	189 Å²	189	138.6 Å²	138.6	88%	0.883	72%	0.718	S	S	*	*			trans	-171.5	126.6	141.2	-110.3	159	-8.7	0	0	113.7	S732	S732-Q734 PolarHBondContact O-N 3.44Å; S732-Q734 VanDerWaalsContact O-N 3.15Å
735	S	30.2	Very low	31.6	Very low	119 Å²	119	142 Å²	142	83%	0.832	73%	0.734	S	S	*	*			trans	62.2	87	150.6	-159.8	0	0	0	0	119.8
736	C	24.3	Very low	31.2	Very low	117 Å²	117	137 Å²	137	79%	0.791	72%	0.72	S	S	*	*				-159.6	130.2	128.3	-136.2	0	0	0	0	110.2
737	G	26.9	Very low	30.5	Very low	58 Å²	58	140 Å²	140	60%	0.598	72%	0.724	S	S	*	*			trans	-80.2	159.1	-157.7	0	0	0	0	0	117.5	H739	G737-H739 VanDerWaalsContact C-N 3.26Å; G737-H739 PolarHBondContact O-N 3Å
738	L	29.6	Very low	29.8	Very low	178 Å²	178	142.9 Å²	142.9	93%	0.932	73%	0.726	S	S	*	*	S	Bend	trans	52.4	-26.4	156.6	-82.7	128.8	0	0	0	121.5
739	H	29.1	Very low	29.6	Very low	158 Å²	158	144.8 Å²	144.8	73%	0.731	73%	0.727	S	S	*	*	S	Bend	trans	-81.7	-20	177.2	-97.9	-66.6	0	0	0	113.9	G737	G737-H739 VanDerWaalsContact C-N 3.26Å; G737-H739 PolarHBondContact O-N 3Å
740	T	28.6	Very low	29.4	Very low	84 Å²	84	147.7 Å²	147.7	52%	0.515	73%	0.726	S	S	.	*	S	Bend	trans	-83.7	-20.4	-171.1	-16.6	0	0	0	0	114
741	R	25.4	Very low	29.1	Very low	215 Å²	215	142.9 Å²	142.9	81%	0.811	72%	0.717	S	S	*	*	H	α-helix	trans	-74.1	-33.6	-175.4	-104	-175.3	172.6	-176.5	-2.6	113.7
742	R	28.6	Very low	28.9	Very low	213 Å²	213	141.2 Å²	141.2	80%	0.804	71%	0.708	S	S	*	*	H	α-helix	trans	-78.2	-23.9	-177.3	-143.8	171.9	-173	177.6	0.6	113.3
743	W	31.6	Very low	29.3	Very low	158 Å²	158	141.8 Å²	141.8	60%	0.598	71%	0.709	S	S	*	*	H	α-helix	trans	-85.3	-22.5	176.9	-72.6	96.9	0	0	0	113.5	E745 Q746 K747	W743-E745 VanDerWaalsContact C-N 3.35Å; W743-Q746 PolarHBondContact O-N 3.36Å; W743-K747 PolarHBondContact O-N 2.89Å
744	Q	27.8	Very low	28.9	Very low	123 Å²	123	135.9 Å²	135.9	58%	0.575	70%	0.696	S	S	*	*	H	α-helix	trans	-68.5	-31.9	173.3	-84.2	176.7	-48.6	0	0	112.7	K747	Q744-K747 PolarHBondContact O-N 2.91Å
745	E	32.6	Very low	29.2	Very low	151 Å²	151	134.2 Å²	134.2	71%	0.706	69%	0.692	S	S	*	*	H	α-helix	trans	-71	-31.8	172.6	-74.4	179.8	166.5	0	0	112.5	W743	W743-E745 VanDerWaalsContact C-N 3.35Å
746	Q	34.5	Very low	29.1	Very low	97 Å²	97	135.3 Å²	135.3	45%	0.453	69%	0.688	S	S	.	*	H	α-helix	trans	-70.1	-38	171.8	-80.6	-179.3	-8.8	0	0	111.5	W743 L748 L749 W750	W743-Q746 PolarHBondContact O-N 3.36Å; Q746-L748 VanDerWaalsContact C-N 3.27Å; Q746-L748 PolarHBondContact O-N 2.99Å; Q746-L749 WeakPolarHBondContact O-CB 3.23Å; Q746-L749 PolarHBondContact O-N 3.35Å; Q746-W750 PolarHBondContact O-NE1 3.04Å
747	K	28.7	Very low	29.3	Very low	129 Å²	129	133 Å²	133	56%	0.561	67%	0.673	S	S	*	*	H	α-helix	trans	-61.5	-27.9	-177	-153.8	171.9	-176.4	177.7	0	114.4	W743 Q744 L749 W750	W743-K747 PolarHBondContact O-N 2.89Å; Q744-K747 PolarHBondContact O-N 2.91Å; K747-L749 PolarHBondContact O-N 2.92Å; K747-W750 PolarHBondContact O-N 3.48Å
748	L	28.8	Very low	29.7	Very low	151 Å²	151	137.5 Å²	137.5	79%	0.791	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-17.3	175.2	-114.1	109.4	0	0	0	113.8	Q746	Q746-L748 VanDerWaalsContact C-N 3.27Å; Q746-L748 PolarHBondContact O-N 2.99Å
749	L	32.1	Very low	29.8	Very low	147 Å²	147	138.2 Å²	138.2	77%	0.77	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-16.6	175.4	-114.4	89.9	0	0	0	113.7	Q746 K747	Q746-L749 WeakPolarHBondContact O-CB 3.23Å; Q746-L749 PolarHBondContact O-N 3.35Å; K747-L749 PolarHBondContact O-N 2.92Å
750	W	29.9	Very low	29.7	Very low	141 Å²	141	141.6 Å²	141.6	53%	0.534	68%	0.684	S	S	.	*	S	Bend	trans	-107.2	-1.3	-163.6	-62.9	56	0	0	0	113.1	Q746 K747	Q746-W750 PolarHBondContact O-NE1 3.04Å; K747-W750 PolarHBondContact O-N 3.48Å
751	S	24.3	Very low	29.9	Very low	93 Å²	93	143.6 Å²	143.6	65%	0.65	69%	0.686	S	S	*	*			trans	-117	30.9	-169.2	67.3	0	0	0	0	115.4
752	S	26.6	Very low	30.3	Very low	87 Å²	87	140.4 Å²	140.4	61%	0.608	68%	0.68	S	S	*	*			trans	-114.3	113.2	170.1	65.6	0	0	0	0	111.3	D754	S752-D754 PolarHBondContact O-N 3.38Å; S752-D754 VanDerWaalsContact O-N 3.15Å
753	P	33	Very low	30.2	Very low	128 Å²	128	140.2 Å²	140.2	83%	0.831	68%	0.679	S	S	*	*			trans	-84.5	31.5	179.8	36.1	-34.2	0	0	0	112.8	L755	P753-L755 PolarHBondContact O-N 3.27Å
754	D	26.7	Very low	30.2	Very low	118 Å²	118	135.9 Å²	135.9	63%	0.631	67%	0.667	S	S	*	*			trans	-96.4	96.7	-177.8	-89.4	-29	0	0	0	112.3	S752 N756 C757	S752-D754 PolarHBondContact O-N 3.38Å; S752-D754 VanDerWaalsContact O-N 3.15Å; D754-N756 PolarHBondContact O-N 3.12Å; D754-C757 PolarHBondContact O-N 2.77Å; D754-C757 VanDerWaalsContact O-N 3.12Å
755	L	34.6	Very low	30.2	Very low	154 Å²	154	137.3 Å²	137.3	81%	0.806	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.4	-16.9	178.5	-149.5	73.6	0	0	0	113.9	P753	P753-L755 PolarHBondContact O-N 3.27Å
756	N	27.9	Very low	30.2	Very low	142 Å²	142	134.9 Å²	134.9	76%	0.759	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-12.3	-179.3	-81.1	-26.3	0	0	0	114.9	D754	D754-N756 PolarHBondContact O-N 3.12Å
757	C	28.6	Very low	29.9	Very low	69 Å²	69	138.2 Å²	138.2	47%	0.466	67%	0.673	S	S	.	*	G	3₁₀ helix	trans	-85.9	-15.3	-176.2	-142.5	0	0	0	0	113.8	D754 K759 R760	D754-C757 PolarHBondContact O-N 2.77Å; D754-C757 VanDerWaalsContact O-N 3.12Å; C757-K759 VanDerWaalsContact C-N 3.3Å; C757-K759 PolarHBondContact O-N 3Å; C757-R760 PolarHBondContact O-N 3.45Å
758	L	35.3	Very low	29.9	Very low	151 Å²	151	136.2 Å²	136.2	79%	0.791	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-68.1	-21.7	178.8	-94.3	147.2	0	0	0	114.2
759	K	31	Very low	30	Very low	193 Å²	193	138.9 Å²	138.9	84%	0.839	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-80.3	-15.4	-179.9	-76.9	-180	179.4	171.3	0	114.4	C757	C757-K759 VanDerWaalsContact C-N 3.3Å; C757-K759 PolarHBondContact O-N 3Å
760	R	26.5	Very low	29.9	Very low	230 Å²	230	138.5 Å²	138.5	87%	0.868	67%	0.666	S	S	*	*	S	Bend	trans	-103.4	-6.5	-170.8	-110.5	179.8	-170.7	-172.3	2.7	116.4	C757	C757-R760 PolarHBondContact O-N 3.45Å
761	K	34.1	Very low	29.7	Very low	126 Å²	126	136.3 Å²	136.3	55%	0.548	67%	0.668	S	S	.	*			trans	-104.3	43.4	-173.4	-67.6	-174.6	177.9	178.7	0	114.6	W763 I764	K761-W763 VanDerWaalsContact C-N 3.33Å; K761-I764 HydrophobicContact CD-CD1 4.26Å; K761-I764 HydrophobicContact CG-CD1 4.29Å
762	H	32.6	Very low	29.9	Very low	147 Å²	147	137.5 Å²	137.5	68%	0.681	67%	0.665	S	S	*	*	H	α-helix	trans	-70	-29.5	175.4	-153.8	65.1	0	0	0	112.5
763	W	27.2	Very low	29.9	Very low	209 Å²	209	137.4 Å²	137.4	79%	0.792	66%	0.664	S	S	*	*	H	α-helix	trans	-80.5	-36.4	-176.9	99.2	-65.3	0	0	0	113.7	K761 K765 N766 Y767	K761-W763 VanDerWaalsContact C-N 3.33Å; W763-K765 VanDerWaalsContact C-N 3.32Å; W763-K765 PolarHBondContact O-N 3.44Å; W763-N766 PolarHBondContact O-N 3.41Å; W763-Y767 PolarHBondContact O-N 3.11Å; W763-Y767 VanDerWaalsContact O-N 3.16Å
764	I	30.5	Very low	29.8	Very low	67 Å²	67	141.6 Å²	141.6	34%	0.344	67%	0.669	S	S	.	*	H	α-helix	trans	-68.7	-33.4	176.7	-60.5	177.9	0	0	0	110.8	K761 N766 Y767 I768	K761-I764 HydrophobicContact CD-CD1 4.26Å; K761-I764 HydrophobicContact CG-CD1 4.29Å; I764-N766 PolarHBondContact O-N 2.84Å; I764-Y767 PolarHBondContact O-N 3.26Å; I764-I768 HydrophobicContact CG2-CD1 3.54Å; I764-I768 HydrophobicContact CG2-CG1 4.14Å; I764-I768 WeakPolarHBondContact O-CG1 3.45Å; I764-I768 PolarHBondContact O-N 3.21Å
765	K	29.7	Very low	30.1	Very low	154 Å²	154	140.4 Å²	140.4	67%	0.67	67%	0.666	S	S	*	*	H	α-helix	trans	-65.5	-37.7	178.4	-142.5	176	-173.4	178.7	0	112	W763 W769	W763-K765 VanDerWaalsContact C-N 3.32Å; W763-K765 PolarHBondContact O-N 3.44Å; K765-W769 WeakPolarHBondContact O-CB 3.37Å; K765-W769 PolarHBondContact O-N 3.38Å; K765-W769 VanDerWaalsContact O-N 3.15Å
766	N	30.7	Very low	30.1	Very low	99 Å²	99	140 Å²	140	53%	0.529	67%	0.665	S	S	.	*	H	α-helix	trans	-77.2	-32.1	176.6	-79.6	-3.9	0	0	0	113.1	W763 I764 N770	W763-N766 PolarHBondContact O-N 3.41Å; I764-N766 PolarHBondContact O-N 2.84Å; N766-N770 WeakPolarHBondContact O-CB 3.38Å; N766-N770 PolarHBondContact O-N 2.81Å
767	Y	28.7	Very low	30.5	Very low	167 Å²	167	138 Å²	138	66%	0.655	65%	0.653	S	S	*	*	H	α-helix	trans	-68.2	-51	175.4	-167.9	-103.6	0	0	0	110.6	W763 I764 W769 N770 T771	W763-Y767 PolarHBondContact O-N 3.11Å; W763-Y767 VanDerWaalsContact O-N 3.16Å; I764-Y767 PolarHBondContact O-N 3.26Å; Y767-W769 VanDerWaalsContact C-N 3.33Å; Y767-W769 PolarHBondContact O-N 2.65Å; Y767-N770 PolarHBondContact O-N 3.43Å; Y767-N770 VanDerWaalsContact O-N 3.14Å; Y767-T771 PolarHBondContact O-N 2.83Å; Y767-T771 PolarHBondContact O-OG1 3.03Å
768	I	30.1	Very low	30.8	Very low	88 Å²	88	137 Å²	137	45%	0.451	65%	0.647	S	S	.	*	H	α-helix	trans	-64.7	-35.4	179.6	-62.5	174.2	0	0	0	112.1	I764 N770 T771 M772	I764-I768 HydrophobicContact CG2-CD1 3.54Å; I764-I768 HydrophobicContact CG2-CG1 4.14Å; I764-I768 WeakPolarHBondContact O-CG1 3.45Å; I764-I768 PolarHBondContact O-N 3.21Å; I768-N770 VanDerWaalsContact C-N 3.3Å; I768-N770 PolarHBondContact O-N 3.37Å; I768-T771 PolarHBondContact O-N 2.94Å; I768-M772 HydrophobicContact CG2-SD 4.19Å; I768-M772 PolarHBondContact O-N 3.46Å; I768-M772 VanDerWaalsContact O-N 3.09Å
769	W	30.6	Very low	30.9	Very low	206 Å²	206	133.6 Å²	133.6	78%	0.78	63%	0.625	S	S	*	*	H	α-helix	trans	-68.1	-27.8	176.7	-164.2	-86.7	0	0	0	113.4	K765 Y767	K765-W769 WeakPolarHBondContact O-CB 3.37Å; K765-W769 PolarHBondContact O-N 3.38Å; K765-W769 VanDerWaalsContact O-N 3.15Å; Y767-W769 VanDerWaalsContact C-N 3.33Å; Y767-W769 PolarHBondContact O-N 2.65Å
770	N	29.9	Very low	31.3	Very low	139 Å²	139	124.6 Å²	124.6	74%	0.743	59%	0.586	S	S	*	*	H	α-helix	trans	-88.7	-22.3	177	-77.3	-5.7	0	0	0	113	N766 Y767 I768	N766-N770 WeakPolarHBondContact O-CB 3.38Å; N766-N770 PolarHBondContact O-N 2.81Å; Y767-N770 PolarHBondContact O-N 3.43Å; Y767-N770 VanDerWaalsContact O-N 3.14Å; I768-N770 VanDerWaalsContact C-N 3.3Å; I768-N770 PolarHBondContact O-N 3.37Å
771	T	26.1	Very low	31.9	Very low	95 Å²	95	113.6 Å²	113.6	58%	0.583	55%	0.545	S	S	*	.	H	α-helix	trans	-92.1	-18.2	177.9	-19.9	0	0	0	0	113.9	Y767 I768	Y767-T771 PolarHBondContact O-N 2.83Å; Y767-T771 PolarHBondContact O-OG1 3.03Å; I768-T771 PolarHBondContact O-N 2.94Å
772	M	26.7	Very low	32.1	Very low	119 Å²	119	107.7 Å²	107.7	59%	0.586	52%	0.519	S	S	*	.	S	Bend	trans	-93.1	97.2	170.5	-74.8	-176.4	76.9	0	0	109.9	I768 I777	I768-M772 HydrophobicContact CG2-SD 4.19Å; I768-M772 PolarHBondContact O-N 3.46Å; I768-M772 VanDerWaalsContact O-N 3.09Å; M772-I777 HydrophobicContact CE-CD1 3.94Å
773	S	27.7	Very low	32.7	Very low	84 Å²	84	100.7 Å²	100.7	59%	0.587	49%	0.487	S	S	*	.			trans	-39.9	143	163.4	170.6	0	0	0	0	111.6	T775	S773-T775 PolarHBondContact O-N 2.85Å; S773-T775 PolarHBondContact OG-OG1 2.82Å
774	K	31.2	Very low	33.4	Very low	217 Å²	217	93.2 Å²	93.2	94%	0.943	46%	0.464	S	S	*	.	S	Bend	trans	-56.9	13.7	176.1	-88.7	179.1	170.8	-179.4	0	115.7
775	T	32	Very low	34.2	Very low	92 Å²	92	91.1 Å²	91.1	56%	0.564	46%	0.455	S	S	*	.			trans	-110.8	122.3	-176.6	49.3	0	0	0	0	109.1	S773	S773-T775 PolarHBondContact O-N 2.85Å; S773-T775 PolarHBondContact OG-OG1 2.82Å
776	D	36	Very low	35	Very low	146 Å²	146	85.8 Å²	85.8	78%	0.781	44%	0.437	S	S	*	.	S	Bend	trans	102.9	30	155.3	-50.1	-25.4	0	0	0	121.8
777	I	36.1	Very low	35.7	Very low	101 Å²	101	83.3 Å²	83.3	52%	0.518	42%	0.422	S	S	.	.			trans	-140.4	71.3	160.1	-47.3	177.6	0	0	0	112.4	M772 K779	M772-I777 HydrophobicContact CE-CD1 3.94Å; I777-K779 VanDerWaalsContact C-N 3.32Å; I777-K779 HydrophobicContact CG2-CB 4.09Å; I777-K779 HydrophobicContact CG2-CD 3.6Å; I777-K779 HydrophobicContact CG2-CG 3.68Å; I777-K779 PolarHBondContact O-N 2.89Å
778	S	33.3	Very low	36.6	Very low	47 Å²	47	78.6 Å²	78.6	33%	0.329	42%	0.417	S	S	.	.			trans	-86.7	71.3	161.1	52.6	0	0	0	0	109.8	R712	R712-S778 PolarHBondContact N-O 3.27Å; R712-S778 VanDerWaalsContact N-O 3.13Å
779	K	38.6	Very low	37.6	Very low	79 Å²	79	77.7 Å²	77.7	34%	0.343	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.9	174.8	-71.9	178.3	-172.6	170.2	0	109.3	L714 I777 C807	L714-K779 HydrophobicContact CD1-CB 3.9Å; L714-K779 HydrophobicContact CD1-CD 4.39Å; L714-K779 HydrophobicContact CD1-CG 4.35Å; I777-K779 VanDerWaalsContact C-N 3.32Å; I777-K779 HydrophobicContact CG2-CB 4.09Å; I777-K779 HydrophobicContact CG2-CD 3.6Å; I777-K779 HydrophobicContact CG2-CG 3.68Å; I777-K779 PolarHBondContact O-N 2.89Å; K779-C807 VanDerWaalsContact O-CA 3.25Å; K779-C807 WeakPolarHBondContact O-CA 3.18Å; K779-C807 WeakPolarHBondContact O-CB 3.3Å
780	L	38.7	Very low	38.7	Very low	4 Å²	4	69.4 Å²	69.4	2%	0.021	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	140.3	172.4	-171.7	86.8	0	0	0	109.2	L707 R712 L713 L714 S809 L811	L707-L780 HydrophobicContact CD2-CD1 3.32Å; L707-L780 HydrophobicContact CD2-CD2 3.65Å; L707-L780 HydrophobicContact CD2-CG 4.05Å; R712-L780 WeakPolarHBondContact O-CB 3.41Å; R712-L780 PolarHBondContact O-N 3.22Å; L713-L780 HydrophobicContact CD2-CB 4.44Å; L713-L780 HydrophobicContact CD2-CD2 3.27Å; L713-L780 HydrophobicContact CD2-CG 4.44Å; L714-L780 WeakPolarHBondContact CA-O 3.02Å; L714-L780 WeakPolarHBondContact CB-O 3.07Å; L714-L780 WeakPolarHBondContact CG-O 3.35Å; L714-L780 PolarHBondContact N-O 2.7Å; L780-S809 WeakPolarHBondContact CD1-O 3.5Å; L780-S809 WeakPolarHBondContact CD1-OG 3.07Å; L780-L811 HydrophobicContact CD2-CD1 4.24Å
781	L	39.9	Very low	39.6	Very low	0 Å²	0	69.5 Å²	69.5	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	115.3	165.4	-169.7	70.7	0	0	0	109.8	L714 W716 L719 C783 F800 L803 C807	L714-L781 HydrophobicContact CB-CD1 4.14Å; L714-L781 CarbonylContact O-C 3.46Å; L714-L781 WeakPolarHBondContact O-CA 3.34Å; W716-L781 HydrophobicContact CE3-CD2 4.36Å; L719-L781 HydrophobicContact CD1-CD1 3.53Å; L781-C783 WeakPolarHBondContact CD2-SG 3.28Å; L781-C783 WeakPolarHBondContact CG-SG 3.4Å; L781-F800 HydrophobicContact CD2-CD2 4.32Å; L781-F800 HydrophobicContact CD2-CE2 4.21Å; L781-L803 HydrophobicContact CD1-CD2 3.47Å; L781-L803 VanDerWaalsContact CD1-CD2 3.47Å; L781-L803 HydrophobicContact CD1-CG 4.2Å; L781-L803 HydrophobicContact CD2-CB 4.49Å; L781-L803 HydrophobicContact CD2-CD2 3.75Å; L781-L803 HydrophobicContact CD2-CG 4Å; L781-L803 HydrophobicContact CG-CD2 4.22Å; L781-C807 HydrophobicContact CB-CB 4.45Å; L781-C807 VanDerWaalsContact CB-SG 3.58Å
782	D	37.8	Very low	40.8	Very low	1 Å²	1	72.4 Å²	72.4	1%	0.005	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	116	167.1	-179.5	20	0	0	0	108.8	K694 L714 E715 W716	K694-D782 VanDerWaalsContact CD-OD2 3.27Å; K694-D782 WeakPolarHBondContact CD-OD2 3.23Å; K694-D782 WeakPolarHBondContact CE-OD2 3.33Å; K694-D782 IonicContact NZ-OD2 2.85Å; K694-D782 PolarHBondContact NZ-OD2 3.48Å; L714-D782 WeakPolarHBondContact O-CA 3.3Å; L714-D782 PolarHBondContact O-N 3.45Å; E715-D782 CarbonylContact C-O 3.44Å; E715-D782 WeakPolarHBondContact CA-O 3.12Å; E715-D782 HydrophobicContact CG-CB 4.48Å; W716-D782 PolarHBondContact N-O 3.31Å
783	C	44.3	Very low	42.3	Very low	1 Å²	1	73.2 Å²	73.2	1%	0.007	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	104.8	-179.6	-72	0	0	0	0	110	W716 L781 C785 F800 L811	W716-C783 HydrophobicContact CB-CB 4.18Å; W716-C783 VanDerWaalsContact CB-SG 3.54Å; L781-C783 WeakPolarHBondContact CD2-SG 3.28Å; L781-C783 WeakPolarHBondContact CG-SG 3.4Å; C783-C785 PolarHBondContact O-N 3.31Å; C783-C785 VanDerWaalsContact O-N 3.16Å; C783-F800 HydrophobicContact CB-CE2 4.05Å; C783-F800 WeakPolarHBondContact SG-CE2 3.47Å; C783-L811 PolarHBondContact N-O 3.43Å
784	V	43.1	Very low	44	Very low	51 Å²	51	73.5 Å²	73.5	31%	0.309	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	102.1	150.6	-179.4	0	0	0	0	105.8	P786	V784-P786 WeakPolarHBondContact O-CD 3.39Å
785	C	45.9	Very low	45.7	Very low	23 Å²	23	70.6 Å²	70.6	16%	0.155	37%	0.37	C	S	.	.			trans	-77.3	110.9	-170.9	-153.8	0	0	0	0	110.3	C783 Q787	C783-C785 PolarHBondContact O-N 3.31Å; C783-C785 VanDerWaalsContact O-N 3.16Å; C785-Q787 PolarHBondContact O-N 3.23Å
786	P	47.3	Very low	47.6	Very low	43 Å²	43	67.9 Å²	67.9	28%	0.279	35%	0.349	S	S	.	.			trans	-93.6	88.8	171.4	11.7	11.6	0	0	0	107	V784 A788 E789	V784-P786 WeakPolarHBondContact O-CD 3.39Å; P786-A788 PolarHBondContact O-N 3.18Å; P786-A788 VanDerWaalsContact O-N 3.12Å; P786-E789 PolarHBondContact O-N 3.16Å; P786-E789 VanDerWaalsContact O-N 3.16Å
787	Q	46.3	Very low	49.3	Very low	46 Å²	46	61 Å²	61	22%	0.215	31%	0.313	C	S	.	.	H	α-helix	trans	-52.7	-32.3	-175.9	-172.1	-169.4	-0.9	0	0	113.9	C785 E789 F790 Q819 E822	C785-Q787 PolarHBondContact O-N 3.23Å; Q787-E789 PolarHBondContact O-N 3.4Å; Q787-E789 VanDerWaalsContact O-N 3.13Å; Q787-F790 PolarHBondContact O-N 2.99Å; Q787-Q819 HydrophobicContact CB-CG 4.11Å; Q787-Q819 HydrophobicContact CG-CG 4.04Å; Q787-Q819 VanDerWaalsContact OE1-CD 3.3Å; Q787-E822 WeakPolarHBondContact CG-OE2 2.96Å; Q787-E822 PolarHBondContact NE2-OE1 3.18Å; Q787-E822 PolarHBondContact NE2-OE2 3.33Å
788	A	47.2	Very low	51.1	Low	68 Å²	68	58.3 Å²	58.3	56%	0.562	31%	0.306	S	S	*	.	H	α-helix	trans	-56.9	-30.4	-179.8	0	0	0	0	0	113.2	P786 E792	P786-A788 PolarHBondContact O-N 3.18Å; P786-A788 VanDerWaalsContact O-N 3.12Å; A788-E792 WeakPolarHBondContact O-CG 3.35Å
789	E	50.8	Low	53.2	Low	69 Å²	69	59.5 Å²	59.5	32%	0.322	31%	0.314	S	S	.	.	H	α-helix	trans	-81.5	-28.5	-176.2	-64.5	176.9	161.1	0	0	113.3	P786 Q787 R793 W796	P786-E789 PolarHBondContact O-N 3.16Å; P786-E789 VanDerWaalsContact O-N 3.16Å; Q787-E789 PolarHBondContact O-N 3.4Å; Q787-E789 VanDerWaalsContact O-N 3.13Å; E789-R793 PolarHBondContact O-N 3.48Å; E789-R793 VanDerWaalsContact O-N 3.08Å; E789-W796 HydrophobicContact CB-CE3 4.09Å; E789-W796 HydrophobicContact CB-CZ3 3.96Å; E789-W796 HydrophobicContact CG-CZ3 4.37Å; E789-W796 VanDerWaalsContact OE2-CZ3 3.3Å; E789-W796 WeakPolarHBondContact OE2-CZ3 3.27Å
790	F	54.4	Low	55.2	Low	32 Å²	32	55.9 Å²	55.9	14%	0.14	30%	0.298	C	S	.	.	H	α-helix	trans	-80.9	-30.8	-177.1	-67.7	-60.7	0	0	0	113.4	W716 Q787 R793 W796 F800	W716-F790 AromaticContact CE2-CZ 3.96Å; W716-F790 HydrophobicContact CH2-CE1 4.47Å; W716-F790 AromaticContact CZ2-CE1 3.88Å; W716-F790 HydrophobicContact CZ2-CE1 3.88Å; W716-F790 AromaticContact CZ2-CZ 3.81Å; W716-F790 HydrophobicContact CZ2-CZ 3.81Å; Q787-F790 PolarHBondContact O-N 2.99Å; F790-R793 CarbonylContact O-C 3.47Å; F790-W796 HydrophobicContact CD1-CB 3.77Å; F790-W796 HydrophobicContact CE1-CB 3.95Å; F790-F800 HydrophobicContact CE1-CB 4.03Å; F790-F800 HydrophobicContact CE1-CG 4.46Å; F790-F800 HydrophobicContact CZ-CB 4.34Å; F790-F800 HydrophobicContact CZ-CD2 4.03Å; F790-F800 HydrophobicContact CZ-CG 4.33Å
791	E	47.9	Very low	57.3	Low	141 Å²	141	55.9 Å²	55.9	66%	0.659	30%	0.298	S	S	*	.	H	α-helix	trans	-75.6	-37.1	173.3	-69.7	-167.8	146.8	0	0	111.7
792	E	50.5	Low	59.1	Low	157 Å²	157	58.2 Å²	58.2	73%	0.734	32%	0.315	S	S	*	.	H	α-helix	trans	-70.2	-29.5	174.4	-73.3	-175.8	177.8	0	0	112.7	A788	A788-E792 WeakPolarHBondContact O-CG 3.35Å
793	R	59	Low	61.1	Low	135 Å²	135	59.6 Å²	59.6	51%	0.509	32%	0.322	S	S	.	.			trans	-134.7	93	-177.9	-62.2	-171.6	-177.3	-166.2	0.3	113.1	E789 F790 E795 W796	E789-R793 PolarHBondContact O-N 3.48Å; E789-R793 VanDerWaalsContact O-N 3.08Å; F790-R793 CarbonylContact O-C 3.47Å; R793-E795 PolarHBondContact O-N 2.71Å; R793-E795 VanDerWaalsContact O-N 3.09Å; R793-W796 HydrophobicContact CB-CG 4.06Å; R793-W796 WeakPolarHBondContact O-CB 3.21Å; R793-W796 PolarHBondContact O-N 3.24Å
794	P	64.1	Low	62.9	Low	90 Å²	90	59.6 Å²	59.6	58%	0.584	32%	0.322	S	S	*	.	H	α-helix	trans	-62.2	-22.5	-179.1	23.2	-33.2	0	0	0	114.4	W796 G797	P794-W796 PolarHBondContact O-N 3.22Å; P794-G797 PolarHBondContact O-N 3.28Å
795	E	66.4	Low	64.6	Low	156 Å²	156	60.9 Å²	60.9	73%	0.729	33%	0.325	S	S	*	.	H	α-helix	trans	-62.6	-28.5	175.6	-60.7	-175.2	170.3	0	0	113	R793 A798 S799	R793-E795 PolarHBondContact O-N 2.71Å; R793-E795 VanDerWaalsContact O-N 3.09Å; E795-A798 PolarHBondContact O-N 3.19Å; E795-S799 PolarHBondContact O-N 3.14Å; E795-S799 VanDerWaalsContact O-N 3.16Å; E795-S799 PolarHBondContact O-OG 3.41Å
796	W	71.2	Confident	66.1	Low	35 Å²	35	64.7 Å²	64.7	13%	0.133	34%	0.34	C	S	.	.	H	α-helix	trans	-74.1	-32.8	-179.9	-74.8	31.8	0	0	0	111.9	W716 H724 E789 F790 R793 P794 A798 S799 F800	W716-W796 HydrophobicContact CZ2-CE3 4.25Å; H724-W796 AromaticContact CE1-CH2 3.83Å; H724-W796 AromaticContact CE1-CZ2 3.66Å; H724-W796 AromaticContact NE2-CH2 3.15Å; H724-W796 WeakPolarHBondContact NE2-CH2 3.46Å; H724-W796 AromaticContact NE2-CZ2 3.43Å; H724-W796 WeakPolarHBondContact NE2-CZ2 3.34Å; E789-W796 HydrophobicContact CB-CE3 4.09Å; E789-W796 HydrophobicContact CB-CZ3 3.96Å; E789-W796 HydrophobicContact CG-CZ3 4.37Å; E789-W796 VanDerWaalsContact OE2-CZ3 3.3Å; E789-W796 WeakPolarHBondContact OE2-CZ3 3.27Å; F790-W796 HydrophobicContact CD1-CB 3.77Å; F790-W796 HydrophobicContact CE1-CB 3.95Å; R793-W796 HydrophobicContact CB-CG 4.06Å; R793-W796 WeakPolarHBondContact O-CB 3.21Å; R793-W796 PolarHBondContact O-N 3.24Å; P794-W796 PolarHBondContact O-N 3.22Å; W796-A798 VanDerWaalsContact C-N 3.33Å; W796-A798 PolarHBondContact O-N 3.2Å; W796-S799 PolarHBondContact O-N 3.14Å; W796-F800 VanDerWaalsContact O-CB 3.23Å; W796-F800 WeakPolarHBondContact O-CB 3.37Å; W796-F800 PolarHBondContact O-N 2.91Å
797	G	71.9	Confident	67.5	Low	2 Å²	2	62.9 Å²	62.9	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-61.6	-41.6	174.1	0	0	0	0	0	112.1	P794 M801	P794-G797 PolarHBondContact O-N 3.28Å; G797-M801 WeakPolarHBondContact O-CB 3.42Å; G797-M801 VanDerWaalsContact O-CG 3.28Å; G797-M801 WeakPolarHBondContact O-CG 3.2Å; G797-M801 PolarHBondContact O-N 3.46Å
798	A	74.9	Confident	69	Low	44 Å²	44	64.3 Å²	64.3	36%	0.364	34%	0.335	S	S	.	.	H	α-helix	trans	-68.1	-40.9	175.9	0	0	0	0	0	112.3	E795 W796 M801 S802	E795-A798 PolarHBondContact O-N 3.19Å; W796-A798 VanDerWaalsContact C-N 3.33Å; W796-A798 PolarHBondContact O-N 3.2Å; A798-M801 PolarHBondContact O-N 2.83Å; A798-S802 PolarHBondContact O-N 2.94Å
799	S	75.9	Confident	70.7	Confident	72 Å²	72	61.2 Å²	61.2	50%	0.503	31%	0.309	S	S	.	.	H	α-helix	trans	-65	-44.1	177.4	-58.8	0	0	0	0	112	E795 W796 M801 S802 L803	E795-S799 PolarHBondContact O-N 3.14Å; E795-S799 VanDerWaalsContact O-N 3.16Å; E795-S799 PolarHBondContact O-OG 3.41Å; W796-S799 PolarHBondContact O-N 3.14Å; S799-M801 VanDerWaalsContact C-N 3.34Å; S799-M801 PolarHBondContact O-N 3.26Å; S799-S802 PolarHBondContact O-N 2.66Å; S799-L803 PolarHBondContact O-N 3.14Å; S799-L803 VanDerWaalsContact O-N 3.1Å
800	F	80.8	Confident	72.5	Confident	3 Å²	3	58 Å²	58	1%	0.013	29%	0.294	C	S	.	.	H	α-helix	trans	-56.4	-48.7	172.2	170.4	-87.5	0	0	0	110.9	W687 W716 L781 C783 F790 W796 S802 L803 A804 L826	W687-F800 HydrophobicContact CH2-CE1 4.19Å; W687-F800 HydrophobicContact CZ3-CE1 4.2Å; W716-F800 HydrophobicContact CD2-CD2 4.49Å; W716-F800 HydrophobicContact CE3-CD2 4.11Å; W716-F800 HydrophobicContact CH2-CB 3.96Å; W716-F800 HydrophobicContact CH2-CD2 4.34Å; W716-F800 HydrophobicContact CZ3-CB 4.17Å; W716-F800 HydrophobicContact CZ3-CD2 4.03Å; L781-F800 HydrophobicContact CD2-CD2 4.32Å; L781-F800 HydrophobicContact CD2-CE2 4.21Å; C783-F800 HydrophobicContact CB-CE2 4.05Å; C783-F800 WeakPolarHBondContact SG-CE2 3.47Å; F790-F800 HydrophobicContact CE1-CB 4.03Å; F790-F800 HydrophobicContact CE1-CG 4.46Å; F790-F800 HydrophobicContact CZ-CB 4.34Å; F790-F800 HydrophobicContact CZ-CD2 4.03Å; F790-F800 HydrophobicContact CZ-CG 4.33Å; W796-F800 VanDerWaalsContact O-CB 3.23Å; W796-F800 WeakPolarHBondContact O-CB 3.37Å; W796-F800 PolarHBondContact O-N 2.91Å; F800-S802 PolarHBondContact O-N 3.19Å; F800-L803 PolarHBondContact O-N 3.41Å; F800-A804 HydrophobicContact CE1-CB 4.33Å; F800-A804 VanDerWaalsContact O-CB 3.29Å; F800-A804 WeakPolarHBondContact O-CB 3.35Å; F800-A804 PolarHBondContact O-N 3.28Å; F800-L826 HydrophobicContact CD1-CD2 3.64Å; F800-L826 HydrophobicContact CE1-CD2 3.93Å
801	M	82.6	Confident	74	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.02	29%	0.288	C	S	.	.	H	α-helix	trans	-65.1	-39.3	-179.6	-74.5	-58.3	-48	0	0	112.5	W687 G797 A798 S799 L803 A804 E805 L826 V827 H830 T831	W687-M801 HydrophobicContact CH2-CE 3.95Å; W687-M801 HydrophobicContact CH2-SD 3.86Å; W687-M801 HydrophobicContact CZ2-CE 4.47Å; G797-M801 WeakPolarHBondContact O-CB 3.42Å; G797-M801 VanDerWaalsContact O-CG 3.28Å; G797-M801 WeakPolarHBondContact O-CG 3.2Å; G797-M801 PolarHBondContact O-N 3.46Å; A798-M801 PolarHBondContact O-N 2.83Å; S799-M801 VanDerWaalsContact C-N 3.34Å; S799-M801 PolarHBondContact O-N 3.26Å; M801-L803 VanDerWaalsContact C-N 3.29Å; M801-L803 PolarHBondContact O-N 2.61Å; M801-A804 PolarHBondContact O-N 2.6Å; M801-E805 WeakPolarHBondContact O-CB 3.41Å; M801-E805 WeakPolarHBondContact O-CG 2.95Å; M801-E805 PolarHBondContact O-N 3.11Å; M801-L826 HydrophobicContact CG-CD2 4.16Å; M801-L826 HydrophobicContact CG-CG 3.96Å; M801-L826 HydrophobicContact SD-CD2 4.17Å; M801-L826 HydrophobicContact SD-CG 4.15Å; M801-V827 HydrophobicContact CE-CB 4.35Å; M801-V827 HydrophobicContact CE-CG1 4.29Å; M801-V827 HydrophobicContact CE-CG2 4.07Å; M801-V827 HydrophobicContact SD-CG2 3.93Å; M801-H830 HydrophobicContact CB-CB 4.06Å; M801-H830 HydrophobicContact CG-CB 3.88Å; M801-T831 HydrophobicContact CE-CG2 3.64Å
802	S	79.1	Confident	75.9	Confident	49 Å²	49	49.8 Å²	49.8	34%	0.343	26%	0.256	S	S	.	.	H	α-helix	trans	-60	-39.2	174.8	-179.2	0	0	0	0	112.4	A798 S799 F800 Q806	A798-S802 PolarHBondContact O-N 2.94Å; S799-S802 PolarHBondContact O-N 2.66Å; F800-S802 PolarHBondContact O-N 3.19Å; S802-Q806 PolarHBondContact O-NE2 3.48Å
803	L	79.1	Confident	77.4	Confident	31 Å²	31	42.5 Å²	42.5	16%	0.162	22%	0.222	C	C	.	.	H	α-helix	trans	-72.5	-45.6	175.8	-176.2	63.1	0	0	0	111.7	W716 L719 L781 S799 F800 M801 E805 Q806 C807	W716-L803 HydrophobicContact CE3-CD2 4.47Å; W716-L803 HydrophobicContact CZ3-CD2 4.25Å; L719-L803 HydrophobicContact CD1-CD2 3.89Å; L781-L803 HydrophobicContact CD1-CD2 3.47Å; L781-L803 VanDerWaalsContact CD1-CD2 3.47Å; L781-L803 HydrophobicContact CD1-CG 4.2Å; L781-L803 HydrophobicContact CD2-CB 4.49Å; L781-L803 HydrophobicContact CD2-CD2 3.75Å; L781-L803 HydrophobicContact CD2-CG 4Å; L781-L803 HydrophobicContact CG-CD2 4.22Å; S799-L803 PolarHBondContact O-N 3.14Å; S799-L803 VanDerWaalsContact O-N 3.1Å; F800-L803 PolarHBondContact O-N 3.41Å; M801-L803 VanDerWaalsContact C-N 3.29Å; M801-L803 PolarHBondContact O-N 2.61Å; L803-E805 PolarHBondContact O-N 3.35Å; L803-Q806 WeakPolarHBondContact O-CB 3.31Å; L803-Q806 PolarHBondContact O-N 2.98Å; L803-C807 PolarHBondContact O-N 3.14Å; L803-C807 PolarHBondContact O-SG 2.94Å
804	A	81.4	Confident	78.2	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.1	-31.1	178	0	0	0	0	0	112	W687 F800 M801 Q806 C807 V810	W687-A804 HydrophobicContact CH2-CB 3.67Å; W687-A804 HydrophobicContact CZ2-CB 3.66Å; F800-A804 HydrophobicContact CE1-CB 4.33Å; F800-A804 VanDerWaalsContact O-CB 3.29Å; F800-A804 WeakPolarHBondContact O-CB 3.35Å; F800-A804 PolarHBondContact O-N 3.28Å; M801-A804 PolarHBondContact O-N 2.6Å; A804-Q806 PolarHBondContact O-N 2.87Å; A804-C807 PolarHBondContact O-N 3.37Å; A804-V810 HydrophobicContact CB-CG2 4.13Å
805	E	79.8	Confident	78.7	Confident	79 Å²	79	39.2 Å²	39.2	37%	0.369	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-21.8	174.6	-81	-167.2	169	0	0	114.4	R685 M801 L803	R685-E805 VanDerWaalsContact CZ-O 3.27Å; R685-E805 VanDerWaalsContact NH1-CA 3.34Å; R685-E805 PolarHBondContact NH1-O 2.95Å; R685-E805 VanDerWaalsContact NH1-O 3.13Å; R685-E805 PolarHBondContact NH2-O 3.41Å; M801-E805 WeakPolarHBondContact O-CB 3.41Å; M801-E805 WeakPolarHBondContact O-CG 2.95Å; M801-E805 PolarHBondContact O-N 3.11Å; L803-E805 PolarHBondContact O-N 3.35Å
806	Q	78.1	Confident	79.1	Confident	103 Å²	103	35 Å²	35	48%	0.481	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-15.7	176.1	-62.6	172.8	31.8	0	0	112.1	S802 L803 A804	S802-Q806 PolarHBondContact O-NE2 3.48Å; L803-Q806 WeakPolarHBondContact O-CB 3.31Å; L803-Q806 PolarHBondContact O-N 2.98Å; A804-Q806 PolarHBondContact O-N 2.87Å
807	C	76.8	Confident	79.2	Confident	5 Å²	5	35 Å²	35	3%	0.034	19%	0.189	C	C	.	.	S	Bend	trans	-86.2	147.8	179.7	-59	0	0	0	0	111	K779 L781 L803 A804	K779-C807 VanDerWaalsContact O-CA 3.25Å; K779-C807 WeakPolarHBondContact O-CA 3.18Å; K779-C807 WeakPolarHBondContact O-CB 3.3Å; L781-C807 HydrophobicContact CB-CB 4.45Å; L781-C807 VanDerWaalsContact CB-SG 3.58Å; L803-C807 PolarHBondContact O-N 3.14Å; L803-C807 PolarHBondContact O-SG 2.94Å; A804-C807 PolarHBondContact O-N 3.37Å
808	Q	76.4	Confident	79.3	Confident	76 Å²	76	37.3 Å²	37.3	36%	0.355	21%	0.208	S	C	.	.	S	Bend	trans	-71.2	-44	176.5	-178.8	177.9	-2.8	0	0	111.5
809	S	82.6	Confident	79.6	Confident	3 Å²	3	36.5 Å²	36.5	2%	0.021	20%	0.196	C	C	.	.			trans	-140.3	162.8	178.7	49	0	0	0	0	110.1	L706 L780	L706-S809 PolarHBondContact O-OG 3.02Å; L780-S809 WeakPolarHBondContact CD1-O 3.5Å; L780-S809 WeakPolarHBondContact CD1-OG 3.07Å
810	V	88.6	Confident	80	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	130.8	178.8	178.7	0	0	0	0	107.9	W687 V688 A804	W687-V810 WeakPolarHBondContact CA-O 3.23Å; W687-V810 HydrophobicContact CB-CB 4.36Å; W687-V810 HydrophobicContact CD2-CB 3.72Å; W687-V810 HydrophobicContact CD2-CG1 4.33Å; W687-V810 HydrophobicContact CD2-CG2 3.97Å; W687-V810 HydrophobicContact CE3-CB 4.17Å; W687-V810 HydrophobicContact CE3-CG1 4.27Å; W687-V810 HydrophobicContact CG-CB 3.81Å; W687-V810 HydrophobicContact CG-CG2 4.31Å; W687-V810 HydrophobicContact CH2-CG2 4.39Å; W687-V810 HydrophobicContact CZ2-CB 4.46Å; W687-V810 HydrophobicContact CZ2-CG2 3.82Å; V688-V810 PolarHBondContact N-O 3.42Å; A804-V810 HydrophobicContact CB-CG2 4.13Å
811	L	87.4	Confident	80.3	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	121	174.3	-63.6	177.1	0	0	0	108	V688 V698 L706 L707 L780 C783	V688-L811 HydrophobicContact CB-CD2 3.66Å; V688-L811 HydrophobicContact CG2-CD2 3.99Å; V698-L811 HydrophobicContact CG2-CD1 4.24Å; L706-L811 HydrophobicContact CD2-CD2 3.92Å; L707-L811 HydrophobicContact CD1-CD1 4.03Å; L707-L811 HydrophobicContact CD2-CD1 4.49Å; L780-L811 HydrophobicContact CD2-CD1 4.24Å; C783-L811 PolarHBondContact N-O 3.43Å
812	C	86.5	Confident	80.4	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	117.9	171.6	-55.8	0	0	0	0	108.2	V688 L689 T690 V815 I823	V688-C812 PolarHBondContact O-N 3.16Å; L689-C812 HydrophobicContact CD2-CB 3.58Å; L689-C812 VanDerWaalsContact CD2-SG 3.51Å; T690-C812 PolarHBondContact N-O 3.39Å; C812-V815 HydrophobicContact CB-CG2 3.51Å; C812-V815 WeakPolarHBondContact O-CG2 3.3Å; C812-I823 HydrophobicContact CB-CD1 4.15Å
813	C	82.7	Confident	80.8	Confident	3 Å²	3	34.1 Å²	34.1	2%	0.02	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	153.9	-174.3	-51.9	0	0	0	0	111	T690 K694 A697 V815	T690-C813 CarbonylContact O-C 3.54Å; K694-C813 HydrophobicContact CB-CB 4.29Å; A697-C813 VanDerWaalsContact CB-SG 3.57Å; C813-V815 PolarHBondContact O-N 3.11Å
814	R	76.4	Confident	81.3	Confident	152 Å²	152	32.7 Å²	32.7	57%	0.574	17%	0.165	S	C	*	.	S	Bend	trans	51.6	38.1	-176.1	-62	-168.3	177.5	-178.6	3.6	114.2	T690 D692	T690-R814 PolarHBondContact O-N 2.85Å; D692-R814 WeakPolarHBondContact O-CG 3.25Å; D692-R814 PolarHBondContact O-N 3.03Å
815	V	74.9	Confident	81.6	Confident	5 Å²	5	38.3 Å²	38.3	3%	0.03	19%	0.19	C	C	.	.			trans	-86.3	125.7	-177.9	-171.1	0	0	0	0	110	T690 C812 C813 Q819 K820 I823	T690-V815 PolarHBondContact O-N 3.43Å; C812-V815 HydrophobicContact CB-CG2 3.51Å; C812-V815 WeakPolarHBondContact O-CG2 3.3Å; C813-V815 PolarHBondContact O-N 3.11Å; V815-Q819 HydrophobicContact CG1-CB 3.4Å; V815-Q819 VanDerWaalsContact CG1-CB 3.4Å; V815-K820 HydrophobicContact CB-CG 4.23Å; V815-K820 HydrophobicContact CG1-CB 4.37Å; V815-K820 HydrophobicContact CG1-CG 3.64Å; V815-I823 HydrophobicContact CG1-CD1 3.98Å; V815-I823 HydrophobicContact CG2-CD1 4.45Å
816	T	73.2	Confident	82	Confident	66 Å²	66	36.1 Å²	36.1	41%	0.405	18%	0.18	S	C	.	.			trans	-72.5	157.4	173.4	67.7	0	0	0	0	111.4	A818 Q819 K820	T816-A818 PolarHBondContact O-N 3.3Å; T816-A818 VanDerWaalsContact O-N 3.15Å; T816-Q819 WeakPolarHBondContact O-CB 3.39Å; T816-Q819 PolarHBondContact O-N 3.29Å; T816-Q819 VanDerWaalsContact OG1-CD 3.22Å; T816-Q819 VanDerWaalsContact OG1-CG 3.23Å; T816-Q819 WeakPolarHBondContact OG1-CG 3.23Å; T816-Q819 PolarHBondContact OG1-N 2.94Å; T816-Q819 PolarHBondContact OG1-OE1 3.29Å; T816-K820 PolarHBondContact O-N 2.86Å
817	P	74.9	Confident	82.5	Confident	36 Å²	36	31.2 Å²	31.2	23%	0.234	16%	0.157	C	C	.	.	H	α-helix	trans	-52.3	-37.9	177.3	-31.8	38.5	0	0	0	114.5	A821 N843	P817-A821 PolarHBondContact O-N 3.21Å; P817-N843 HydrophobicContact CB-CB 4.48Å; P817-N843 WeakPolarHBondContact CB-O 3.48Å; P817-N843 HydrophobicContact CG-CB 3.91Å; P817-N843 VanDerWaalsContact CG-OD1 3.24Å; P817-N843 WeakPolarHBondContact CG-OD1 2.94Å
818	A	73.9	Confident	83.1	Confident	51 Å²	51	35.7 Å²	35.7	42%	0.421	17%	0.174	S	C	.	.	H	α-helix	trans	-66.4	-44.8	176.4	0	0	0	0	0	111.6	T816 K820 A821 E822	T816-A818 PolarHBondContact O-N 3.3Å; T816-A818 VanDerWaalsContact O-N 3.15Å; A818-K820 VanDerWaalsContact C-N 3.34Å; A818-K820 PolarHBondContact O-N 3.29Å; A818-A821 WeakPolarHBondContact O-CB 3.12Å; A818-A821 PolarHBondContact O-N 2.96Å; A818-E822 PolarHBondContact O-N 3.5Å; A818-E822 VanDerWaalsContact O-N 3.1Å
819	Q	79.8	Confident	83.6	Confident	27 Å²	27	39.8 Å²	39.8	13%	0.126	19%	0.19	C	C	.	.	H	α-helix	trans	-63.4	-37.8	177.5	-72.6	166	-10.9	0	0	112.3	Q787 V815 T816 A821 E822 I823	Q787-Q819 HydrophobicContact CB-CG 4.11Å; Q787-Q819 HydrophobicContact CG-CG 4.04Å; Q787-Q819 VanDerWaalsContact OE1-CD 3.3Å; V815-Q819 HydrophobicContact CG1-CB 3.4Å; V815-Q819 VanDerWaalsContact CG1-CB 3.4Å; T816-Q819 WeakPolarHBondContact O-CB 3.39Å; T816-Q819 PolarHBondContact O-N 3.29Å; T816-Q819 VanDerWaalsContact OG1-CD 3.22Å; T816-Q819 VanDerWaalsContact OG1-CG 3.23Å; T816-Q819 WeakPolarHBondContact OG1-CG 3.23Å; T816-Q819 PolarHBondContact OG1-N 2.94Å; T816-Q819 PolarHBondContact OG1-OE1 3.29Å; Q819-A821 VanDerWaalsContact C-N 3.27Å; Q819-A821 PolarHBondContact O-N 3.39Å; Q819-E822 PolarHBondContact O-N 3.25Å; Q819-E822 VanDerWaalsContact O-N 3.09Å; Q819-I823 WeakPolarHBondContact O-CG1 3.38Å; Q819-I823 PolarHBondContact O-N 3.27Å
820	K	85.8	Confident	83.7	Confident	7 Å²	7	43 Å²	43	3%	0.03	21%	0.205	C	C	.	.	H	α-helix	trans	-54.9	-47.2	174.3	-68.5	-173.9	176.6	-175.1	0	110.6	D408 L689 V815 T816 A818 E822 I823 V824 D844 M847	D408-K820 VanDerWaalsContact CG-NZ 3.35Å; D408-K820 IonicContact OD1-NZ 3.1Å; D408-K820 PolarHBondContact OD1-NZ 3.27Å; L689-K820 HydrophobicContact CB-CG 4.22Å; L689-K820 VanDerWaalsContact O-CE 3.23Å; L689-K820 WeakPolarHBondContact O-CE 3.3Å; L689-K820 PolarHBondContact O-NZ 2.91Å; V815-K820 HydrophobicContact CB-CG 4.23Å; V815-K820 HydrophobicContact CG1-CB 4.37Å; V815-K820 HydrophobicContact CG1-CG 3.64Å; T816-K820 PolarHBondContact O-N 2.86Å; A818-K820 VanDerWaalsContact C-N 3.34Å; A818-K820 PolarHBondContact O-N 3.29Å; K820-E822 VanDerWaalsContact C-N 3.34Å; K820-E822 PolarHBondContact O-N 3.28Å; K820-I823 PolarHBondContact O-N 3.45Å; K820-V824 WeakPolarHBondContact O-CG2 3.23Å; K820-V824 PolarHBondContact O-N 3.04Å; K820-D844 WeakPolarHBondContact CD-OD1 3.45Å; K820-D844 IonicContact NZ-OD1 3.86Å; K820-D844 PolarHBondContact NZ-OD1 3.48Å; K820-M847 HydrophobicContact CB-CB 4.11Å; K820-M847 HydrophobicContact CB-CG 4.26Å; K820-M847 HydrophobicContact CB-SD 4.25Å; K820-M847 HydrophobicContact CD-SD 4.38Å
821	A	85.9	Confident	83.5	Confident	6 Å²	6	43.6 Å²	43.6	5%	0.05	21%	0.209	C	C	.	.	H	α-helix	trans	-64.9	-36.1	177.9	0	0	0	0	0	112.6	P817 A818 Q819 V824 K825 N846 T850	P817-A821 PolarHBondContact O-N 3.21Å; A818-A821 WeakPolarHBondContact O-CB 3.12Å; A818-A821 PolarHBondContact O-N 2.96Å; Q819-A821 VanDerWaalsContact C-N 3.27Å; Q819-A821 PolarHBondContact O-N 3.39Å; A821-V824 WeakPolarHBondContact O-CB 3.13Å; A821-V824 PolarHBondContact O-N 3.11Å; A821-K825 WeakPolarHBondContact O-CG 3.33Å; A821-K825 PolarHBondContact O-N 2.93Å; A821-N846 HydrophobicContact CB-CB 4.01Å; A821-T850 WeakPolarHBondContact O-CG2 3.42Å
822	E	84.3	Confident	83.2	Confident	55 Å²	55	47.5 Å²	47.5	26%	0.257	24%	0.241	S	C	.	.	H	α-helix	trans	-70.5	-39.6	177.8	-74.5	173.6	-157.6	0	0	113.6	Q787 A818 Q819 K820 V824 K825 L826	Q787-E822 WeakPolarHBondContact CG-OE2 2.96Å; Q787-E822 PolarHBondContact NE2-OE1 3.18Å; Q787-E822 PolarHBondContact NE2-OE2 3.33Å; A818-E822 PolarHBondContact O-N 3.5Å; A818-E822 VanDerWaalsContact O-N 3.1Å; Q819-E822 PolarHBondContact O-N 3.25Å; Q819-E822 VanDerWaalsContact O-N 3.09Å; K820-E822 VanDerWaalsContact C-N 3.34Å; K820-E822 PolarHBondContact O-N 3.28Å; E822-V824 PolarHBondContact O-N 3.44Å; E822-K825 CarbonylContact O-C 3.44Å; E822-K825 WeakPolarHBondContact O-CA 3.19Å; E822-K825 WeakPolarHBondContact O-CB 3.19Å; E822-K825 PolarHBondContact O-N 3.27Å; E822-L826 PolarHBondContact O-N 3.43Å
823	I	87.5	Confident	83.2	Confident	10 Å²	10	49.9 Å²	49.9	5%	0.051	26%	0.258	C	S	.	.	H	α-helix	trans	-58.3	-42.4	172.4	-66.5	167.1	0	0	0	109.4	W687 L689 C812 V815 Q819 K820 K825 L826 V827	W687-I823 HydrophobicContact CE3-CG2 4.37Å; W687-I823 HydrophobicContact CZ3-CG2 4.23Å; L689-I823 HydrophobicContact CD1-CB 4.35Å; L689-I823 HydrophobicContact CD1-CG2 4.18Å; L689-I823 HydrophobicContact CD2-CD1 4.03Å; L689-I823 HydrophobicContact CD2-CG2 3.98Å; C812-I823 HydrophobicContact CB-CD1 4.15Å; V815-I823 HydrophobicContact CG1-CD1 3.98Å; V815-I823 HydrophobicContact CG2-CD1 4.45Å; Q819-I823 WeakPolarHBondContact O-CG1 3.38Å; Q819-I823 PolarHBondContact O-N 3.27Å; K820-I823 PolarHBondContact O-N 3.45Å; I823-K825 VanDerWaalsContact C-N 3.34Å; I823-K825 PolarHBondContact O-N 2.91Å; I823-L826 WeakPolarHBondContact O-CB 3.47Å; I823-L826 PolarHBondContact O-N 3.08Å; I823-L826 VanDerWaalsContact O-N 3.16Å; I823-V827 WeakPolarHBondContact O-CG2 3.48Å; I823-V827 PolarHBondContact O-N 3.28Å
824	V	90.3	Very high	83.7	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58.8	-45.4	173.2	-177.2	0	0	0	0	111	L406 K820 A821 E822 L826 V827 R828 M847 T850 A851	L406-V824 HydrophobicContact CD1-CB 3.92Å; L406-V824 HydrophobicContact CD1-CG1 4Å; L406-V824 HydrophobicContact CD1-CG2 3.42Å; L406-V824 VanDerWaalsContact CD1-CG2 3.42Å; K820-V824 WeakPolarHBondContact O-CG2 3.23Å; K820-V824 PolarHBondContact O-N 3.04Å; A821-V824 WeakPolarHBondContact O-CB 3.13Å; A821-V824 PolarHBondContact O-N 3.11Å; E822-V824 PolarHBondContact O-N 3.44Å; V824-L826 VanDerWaalsContact C-N 3.3Å; V824-L826 PolarHBondContact O-N 3.37Å; V824-V827 PolarHBondContact O-N 3.09Å; V824-R828 HydrophobicContact CG1-CG 4.36Å; V824-R828 WeakPolarHBondContact O-CB 3.27Å; V824-R828 VanDerWaalsContact O-CG 3.24Å; V824-R828 WeakPolarHBondContact O-CG 3.3Å; V824-R828 PolarHBondContact O-N 3.47Å; V824-M847 HydrophobicContact CG2-CB 4.45Å; V824-M847 HydrophobicContact CG2-CG 3.49Å; V824-M847 VanDerWaalsContact CG2-CG 3.49Å; V824-T850 HydrophobicContact CB-CG2 4.15Å; V824-T850 HydrophobicContact CG1-CG2 4.08Å; V824-A851 HydrophobicContact CG1-CB 3.92Å
825	K	88.9	Confident	84.6	Confident	118 Å²	118	42.6 Å²	42.6	51%	0.513	23%	0.23	S	C	.	.	H	α-helix	trans	-61.1	-40	176.5	-65.8	174.8	-169.1	164.3	0	111.6	A821 E822 I823 R828 K829 T850	A821-K825 WeakPolarHBondContact O-CG 3.33Å; A821-K825 PolarHBondContact O-N 2.93Å; E822-K825 CarbonylContact O-C 3.44Å; E822-K825 WeakPolarHBondContact O-CA 3.19Å; E822-K825 WeakPolarHBondContact O-CB 3.19Å; E822-K825 PolarHBondContact O-N 3.27Å; I823-K825 VanDerWaalsContact C-N 3.34Å; I823-K825 PolarHBondContact O-N 2.91Å; K825-R828 PolarHBondContact O-N 3.5Å; K825-K829 VanDerWaalsContact O-CB 3.28Å; K825-K829 WeakPolarHBondContact O-CB 2.98Å; K825-K829 PolarHBondContact O-N 2.98Å; K825-T850 HydrophobicContact CD-CG2 4.25Å; K825-T850 HydrophobicContact CG-CG2 3.38Å
826	L	87.4	Confident	85.6	Confident	33 Å²	33	42.3 Å²	42.3	17%	0.173	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-48.5	179.6	-175.8	72.2	0	0	0	110.9	F800 M801 E822 I823 V824 K829 H830	F800-L826 HydrophobicContact CD1-CD2 3.64Å; F800-L826 HydrophobicContact CE1-CD2 3.93Å; M801-L826 HydrophobicContact CG-CD2 4.16Å; M801-L826 HydrophobicContact CG-CG 3.96Å; M801-L826 HydrophobicContact SD-CD2 4.17Å; M801-L826 HydrophobicContact SD-CG 4.15Å; E822-L826 PolarHBondContact O-N 3.43Å; I823-L826 WeakPolarHBondContact O-CB 3.47Å; I823-L826 PolarHBondContact O-N 3.08Å; I823-L826 VanDerWaalsContact O-N 3.16Å; V824-L826 VanDerWaalsContact C-N 3.3Å; V824-L826 PolarHBondContact O-N 3.37Å; L826-K829 PolarHBondContact O-N 3.42Å; L826-H830 VanDerWaalsContact CD1-CE1 3.45Å; L826-H830 WeakPolarHBondContact CD1-CE1 3.36Å; L826-H830 PolarHBondContact O-N 2.91Å; L826-H830 VanDerWaalsContact O-N 3.14Å; L826-H830 PolarHBondContact O-ND1 3.31Å
827	V	89.4	Confident	86.6	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.1	-45	176.5	-179.9	0	0	0	0	110.2	Y404 W687 M801 I823 V824 K829 H830 T831 T835	Y404-V827 HydrophobicContact CD1-CG1 4.37Å; Y404-V827 HydrophobicContact CD2-CG1 4.1Å; Y404-V827 HydrophobicContact CE2-CG1 4.46Å; Y404-V827 HydrophobicContact CG-CG1 4.06Å; W687-V827 HydrophobicContact CE3-CG2 4.13Å; W687-V827 HydrophobicContact CH2-CG2 3.76Å; W687-V827 HydrophobicContact CZ3-CG2 3.46Å; W687-V827 VanDerWaalsContact CZ3-CG2 3.46Å; M801-V827 HydrophobicContact CE-CB 4.35Å; M801-V827 HydrophobicContact CE-CG1 4.29Å; M801-V827 HydrophobicContact CE-CG2 4.07Å; M801-V827 HydrophobicContact SD-CG2 3.93Å; I823-V827 WeakPolarHBondContact O-CG2 3.48Å; I823-V827 PolarHBondContact O-N 3.28Å; V824-V827 PolarHBondContact O-N 3.09Å; V827-K829 VanDerWaalsContact C-N 3.3Å; V827-K829 PolarHBondContact O-N 3.47Å; V827-H830 PolarHBondContact O-N 3.13Å; V827-T831 HydrophobicContact CG1-CG2 4.28Å; V827-T831 WeakPolarHBondContact O-CB 3.46Å; V827-T831 PolarHBondContact O-N 3.34Å; V827-T831 PolarHBondContact O-OG1 3.12Å; V827-T835 HydrophobicContact CB-CG2 4.25Å; V827-T835 HydrophobicContact CG1-CG2 3.57Å
828	R	89.3	Confident	87.6	Confident	100 Å²	100	37.5 Å²	37.5	38%	0.377	20%	0.198	S	C	.	.	H	α-helix	trans	-63	-33.7	178	-72.1	-174.7	73.1	-167.3	0.2	113.5	V824 K825 T835 T850 H852	V824-R828 HydrophobicContact CG1-CG 4.36Å; V824-R828 WeakPolarHBondContact O-CB 3.27Å; V824-R828 VanDerWaalsContact O-CG 3.24Å; V824-R828 WeakPolarHBondContact O-CG 3.3Å; V824-R828 PolarHBondContact O-N 3.47Å; K825-R828 PolarHBondContact O-N 3.5Å; R828-T835 HydrophobicContact CG-CG2 3.9Å; R828-T835 WeakPolarHBondContact CG-OG1 3.34Å; R828-T850 VanDerWaalsContact CD-O 3.24Å; R828-T850 WeakPolarHBondContact CD-O 3.47Å; R828-T850 PolarHBondContact NH1-O 2.94Å; R828-H852 PolarHBondContact NE-CE1 2.63Å; R828-H852 PolarHBondContact NE-ND1 3.42Å; R828-H852 PolarHBondContact NE-NE2 2.85Å; R828-H852 VanDerWaalsContact NE-NE2 3.19Å; R828-H852 PolarHBondContact NH2-CD2 3.15Å; R828-H852 PolarHBondContact NH2-NE2 3.38Å; R828-H852 VanDerWaalsContact NH2-NE2 3.14Å
829	K	86.9	Confident	88.5	Confident	162 Å²	162	35 Å²	35	70%	0.704	18%	0.178	S	C	*	.	H	α-helix	trans	-75.1	-38.4	-178.3	-174.9	179.2	177.9	-174.3	0	111.9	K825 L826 V827	K825-K829 VanDerWaalsContact O-CB 3.28Å; K825-K829 WeakPolarHBondContact O-CB 2.98Å; K825-K829 PolarHBondContact O-N 2.98Å; L826-K829 PolarHBondContact O-N 3.42Å; V827-K829 VanDerWaalsContact C-N 3.3Å; V827-K829 PolarHBondContact O-N 3.47Å
830	H	83.9	Confident	88.8	Confident	69 Å²	69	34 Å²	34	32%	0.319	17%	0.173	S	C	.	.	H	α-helix	trans	-99.5	-14.5	-173	-62.5	91.9	0	0	0	114	M801 L826 V827	M801-H830 HydrophobicContact CB-CB 4.06Å; M801-H830 HydrophobicContact CG-CB 3.88Å; L826-H830 VanDerWaalsContact CD1-CE1 3.45Å; L826-H830 WeakPolarHBondContact CD1-CE1 3.36Å; L826-H830 PolarHBondContact O-N 2.91Å; L826-H830 VanDerWaalsContact O-N 3.14Å; L826-H830 PolarHBondContact O-ND1 3.31Å; V827-H830 PolarHBondContact O-N 3.13Å
831	T	83.4	Confident	88.4	Confident	14 Å²	14	33.8 Å²	33.8	9%	0.086	17%	0.173	C	C	.	.			trans	-116.1	143.6	177.4	72.1	0	0	0	0	111.4	Y404 M801 V827 S833	Y404-T831 HydrophobicContact CE2-CG2 3.9Å; M801-T831 HydrophobicContact CE-CG2 3.64Å; V827-T831 HydrophobicContact CG1-CG2 4.28Å; V827-T831 WeakPolarHBondContact O-CB 3.46Å; V827-T831 PolarHBondContact O-N 3.34Å; V827-T831 PolarHBondContact O-OG1 3.12Å; T831-S833 VanDerWaalsContact C-N 3.27Å
832	A	82	Confident	87.7	Confident	84 Å²	84	34.4 Å²	34.4	69%	0.694	18%	0.178	S	C	*	.			trans	-85.5	-0.9	174.2	0	0	0	0	0	113.3
833	S	87.2	Confident	87.4	Confident	50 Å²	50	33.2 Å²	33.2	35%	0.35	17%	0.173	S	C	.	.	S	Bend	trans	-81	150.6	-177.3	-63.3	0	0	0	0	111.5	T831 T835	T831-S833 VanDerWaalsContact C-N 3.27Å; S833-T835 PolarHBondContact O-N 3.33Å
834	I	92.8	Very high	87.2	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	130.8	174.3	-59	-57.9	0	0	0	109.3	Q285 E398 Q401 V402 G403 Y404 H852 I853	Q285-I834 HydrophobicContact CG-CD1 3.85Å; E398-I834 WeakPolarHBondContact OE2-CD1 3.1Å; E398-I834 WeakPolarHBondContact OE2-CG1 3.45Å; Q401-I834 HydrophobicContact CB-CB 4.44Å; Q401-I834 HydrophobicContact CB-CG1 3.78Å; V402-I834 HydrophobicContact CG2-CG2 4.16Å; G403-I834 PolarHBondContact N-O 2.97Å; Y404-I834 PolarHBondContact N-O 2.71Å; I834-H852 HydrophobicContact CG2-CB 3.9Å; I834-I853 HydrophobicContact CG2-CD1 4.15Å; I834-I853 HydrophobicContact CG2-CG1 4.35Å
835	T	94.5	Very high	86.9	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126	177.9	61.4	0	0	0	0	109.4	V827 R828 S833 H852 I853	V827-T835 HydrophobicContact CB-CG2 4.25Å; V827-T835 HydrophobicContact CG1-CG2 3.57Å; R828-T835 HydrophobicContact CG-CG2 3.9Å; R828-T835 WeakPolarHBondContact CG-OG1 3.34Å; S833-T835 PolarHBondContact O-N 3.33Å; T835-H852 PolarHBondContact N-ND1 3.33Å; T835-H852 VanDerWaalsContact N-ND1 3.19Å; T835-H852 WeakPolarHBondContact O-CB 3.36Å; T835-H852 PolarHBondContact O-N 3.06Å; T835-H852 PolarHBondContact OG1-ND1 2.91Å; T835-I853 PolarHBondContact O-N 3.06Å
836	M	95.9	Very high	86.7	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	141.7	171.8	177.2	174.8	157.1	0	0	108.9	V402 Y404 L405 L406 I838 I853 V855 L879 L883	V402-M836 HydrophobicContact CB-CB 4.47Å; V402-M836 HydrophobicContact CG1-CB 3.53Å; V402-M836 HydrophobicContact CG2-CB 4.05Å; V402-M836 HydrophobicContact CG2-SD 4.42Å; Y404-M836 PolarHBondContact O-N 3.48Å; L405-M836 CarbonylContact C-O 3.52Å; L405-M836 WeakPolarHBondContact CA-O 3.44Å; L405-M836 HydrophobicContact CD1-CB 4.24Å; L405-M836 HydrophobicContact CD1-CE 3.85Å; L405-M836 HydrophobicContact CD1-CG 3.89Å; L405-M836 HydrophobicContact CD1-SD 4.04Å; L406-M836 PolarHBondContact N-O 2.78Å; M836-I838 HydrophobicContact CE-CB 4.45Å; M836-I853 CarbonylContact C-O 3.49Å; M836-I853 WeakPolarHBondContact CA-O 3.3Å; M836-I853 HydrophobicContact CB-CB 4.39Å; M836-I853 HydrophobicContact CG-CB 4.3Å; M836-I853 HydrophobicContact CG-CG2 4.43Å; M836-V855 HydrophobicContact CE-CB 3.65Å; M836-V855 HydrophobicContact CE-CG1 4.34Å; M836-V855 HydrophobicContact CE-CG2 3.18Å; M836-V855 HydrophobicContact CG-CG2 4.47Å; M836-V855 HydrophobicContact SD-CG2 4.17Å; M836-L879 HydrophobicContact CE-CD1 3.19Å; M836-L879 HydrophobicContact CE-CD2 3.99Å; M836-L879 HydrophobicContact CE-CG 4.24Å; M836-L879 HydrophobicContact SD-CD1 3.95Å; M836-L883 HydrophobicContact SD-CD1 4.17Å; M836-L883 HydrophobicContact SD-CD2 3.94Å; M836-L883 HydrophobicContact SD-CG 4.48Å
837	S	95.7	Very high	86.7	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	142.2	170.4	59.7	0	0	0	0	111.5	L406 M847 I848 A851 I853 V855	L406-S837 CarbonylContact O-C 3.54Å; L406-S837 WeakPolarHBondContact O-CA 3.29Å; S837-M847 PolarHBondContact OG-O 2.9Å; S837-I848 VanDerWaalsContact OG-CA 3.23Å; S837-I848 WeakPolarHBondContact OG-CA 3.38Å; S837-A851 WeakPolarHBondContact OG-CB 3.2Å; S837-I853 PolarHBondContact N-O 3.24Å; S837-V855 PolarHBondContact O-N 3.37Å
838	I	95.5	Very high	86.8	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	137.2	177.8	-173.7	169	0	0	0	110.7	L405 L406 S407 D408 T412 M836 M847 V855 L857 F876	L405-I838 HydrophobicContact CD1-CG2 3.93Å; L406-I838 PolarHBondContact O-N 3.25Å; S407-I838 WeakPolarHBondContact OG-CG2 3.37Å; D408-I838 PolarHBondContact N-O 3.1Å; T412-I838 HydrophobicContact CG2-CD1 4.32Å; T412-I838 HydrophobicContact CG2-CG1 3.95Å; T412-I838 HydrophobicContact CG2-CG2 4.04Å; M836-I838 HydrophobicContact CE-CB 4.45Å; I838-M847 WeakPolarHBondContact O-CE 3.29Å; I838-V855 VanDerWaalsContact CA-O 3.31Å; I838-V855 WeakPolarHBondContact CA-O 3.31Å; I838-V855 HydrophobicContact CB-CB 4.32Å; I838-V855 HydrophobicContact CD1-CB 4.49Å; I838-V855 HydrophobicContact CD1-CG1 4.04Å; I838-V855 HydrophobicContact CG1-CB 4.21Å; I838-V855 HydrophobicContact CG1-CG1 4.14Å; I838-L857 HydrophobicContact CD1-CD1 4.4Å; I838-F876 HydrophobicContact CD1-CD2 3.97Å; I838-F876 HydrophobicContact CD1-CE2 4.33Å; I838-F876 HydrophobicContact CG2-CE2 4.13Å
839	G	91.3	Very high	86.7	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	163	178.6	0	0	0	0	0	111.2	T412 D844 V855 G856 L857	T412-G839 WeakPolarHBondContact OG1-CA 3.44Å; G839-D844 WeakPolarHBondContact CA-OD2 3.35Å; G839-V855 PolarHBondContact N-O 3.31Å; G839-G856 CarbonylContact O-C 3.58Å; G839-G856 WeakPolarHBondContact O-CA 3.48Å; G839-L857 PolarHBondContact O-N 3.37Å
840	D	86.5	Confident	86.8	Confident	6 Å²	6	18.5 Å²	18.5	3%	0.032	12%	0.115	C	C	.	.	S	Bend	trans	-115.6	-30.9	-178.1	69.3	-40	0	0	0	112.6	T410 G411 T412 L857 A865	T410-D840 VanDerWaalsContact O-OD1 3.1Å; G411-D840 VanDerWaalsContact C-OD2 3.28Å; G411-D840 WeakPolarHBondContact CA-OD2 3.44Å; T412-D840 PolarHBondContact OG1-N 2.74Å; T412-D840 PolarHBondContact OG1-OD1 2.98Å; D840-L857 HydrophobicContact CB-CB 3.94Å; D840-A865 WeakPolarHBondContact O-CB 3.43Å
841	G	77.3	Confident	87.3	Confident	2 Å²	2	15.2 Å²	15.2	2%	0.021	10%	0.1	C	C	.	.	S	Bend	trans	-92.2	169.4	-176.8	0	0	0	0	0	116.1	N843 D844	G841-N843 PolarHBondContact O-N 3.46Å; G841-D844 PolarHBondContact O-N 2.94Å; G841-D844 VanDerWaalsContact O-N 3.14Å
842	A	71.8	Confident	87.7	Confident	19 Å²	19	16.1 Å²	16.1	16%	0.157	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-63.9	-28.3	175.6	0	0	0	0	0	113.2	D176 D844 V845 Q864	D176-A842 WeakPolarHBondContact O-CB 3.28Å; A842-D844 PolarHBondContact O-N 3.21Å; A842-D844 VanDerWaalsContact O-N 3.16Å; A842-V845 WeakPolarHBondContact O-CB 3.37Å; A842-V845 WeakPolarHBondContact O-CG2 3.46Å; A842-V845 PolarHBondContact O-N 3.38Å; A842-V845 VanDerWaalsContact O-N 3.14Å; A842-Q864 HydrophobicContact CB-CB 4.23Å
843	N	77.3	Confident	88.4	Confident	30 Å²	30	12.1 Å²	12.1	16%	0.16	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-56.7	-26.6	173	-78.4	-18.2	0	0	0	113.6	I177 D178 P817 G841	I177-N843 PolarHBondContact O-OD1 3.08Å; D178-N843 WeakPolarHBondContact CA-ND2 3.45Å; D178-N843 PolarHBondContact O-ND2 2.87Å; P817-N843 HydrophobicContact CB-CB 4.48Å; P817-N843 WeakPolarHBondContact CB-O 3.48Å; P817-N843 HydrophobicContact CG-CB 3.91Å; P817-N843 VanDerWaalsContact CG-OD1 3.24Å; P817-N843 WeakPolarHBondContact CG-OD1 2.94Å; G841-N843 PolarHBondContact O-N 3.46Å
844	D	84.4	Confident	88.7	Confident	2 Å²	2	9.7 Å²	9.7	1%	0.011	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-96.1	-8.1	-176.7	-61.4	-39.3	0	0	0	112.8	D408 K820 G839 G841 A842 N846 M847 I848	D408-D844 WeakPolarHBondContact CB-OD2 3.4Å; K820-D844 WeakPolarHBondContact CD-OD1 3.45Å; K820-D844 IonicContact NZ-OD1 3.86Å; K820-D844 PolarHBondContact NZ-OD1 3.48Å; G839-D844 WeakPolarHBondContact CA-OD2 3.35Å; G841-D844 PolarHBondContact O-N 2.94Å; G841-D844 VanDerWaalsContact O-N 3.14Å; A842-D844 PolarHBondContact O-N 3.21Å; A842-D844 VanDerWaalsContact O-N 3.16Å; D844-N846 VanDerWaalsContact C-N 3.26Å; D844-N846 PolarHBondContact O-N 2.56Å; D844-M847 HydrophobicContact CB-CE 3.81Å; D844-M847 CarbonylContact O-C 3.56Å; D844-M847 WeakPolarHBondContact O-CA 3.24Å; D844-M847 VanDerWaalsContact O-CB 3.29Å; D844-M847 WeakPolarHBondContact O-CB 3.44Å; D844-M847 PolarHBondContact O-N 2.82Å; D844-I848 HydrophobicContact CB-CD1 4.14Å; D844-I848 HydrophobicContact CB-CG1 4.48Å; D844-I848 WeakPolarHBondContact O-CB 3.28Å; D844-I848 VanDerWaalsContact O-CG1 3.27Å; D844-I848 WeakPolarHBondContact O-CG1 3.4Å; D844-I848 PolarHBondContact O-N 3.03Å
845	V	82.9	Confident	88.8	Confident	3 Å²	3	9.7 Å²	9.7	2%	0.018	5%	0.053	C	C	.	.	H	α-helix	trans	-56.7	-41.5	-177.3	171.1	0	0	0	0	111.5	A842 I848 K849 Q864 N868	A842-V845 WeakPolarHBondContact O-CB 3.37Å; A842-V845 WeakPolarHBondContact O-CG2 3.46Å; A842-V845 PolarHBondContact O-N 3.38Å; A842-V845 VanDerWaalsContact O-N 3.14Å; V845-I848 PolarHBondContact O-N 3.32Å; V845-K849 HydrophobicContact CG1-CD 4Å; V845-K849 HydrophobicContact CG1-CG 4.47Å; V845-K849 WeakPolarHBondContact O-CB 3.43Å; V845-K849 VanDerWaalsContact O-CG 3.27Å; V845-K849 WeakPolarHBondContact O-CG 3.3Å; V845-K849 PolarHBondContact O-N 3.21Å; V845-Q864 HydrophobicContact CG2-CB 4.49Å; V845-N868 HydrophobicContact CG1-CB 3.8Å; V845-N868 HydrophobicContact CG2-CB 4.4Å
846	N	84.2	Confident	88.8	Confident	44 Å²	44	9.7 Å²	9.7	24%	0.235	5%	0.053	C	C	.	.	H	α-helix	trans	-71.4	-33.6	178.5	-74.4	-27.6	0	0	0	112.4	N275 A821 D844 T850	N275-N846 PolarHBondContact O-ND2 3.32Å; N275-N846 PolarHBondContact O-OD1 3.41Å; A821-N846 HydrophobicContact CB-CB 4.01Å; D844-N846 VanDerWaalsContact C-N 3.26Å; D844-N846 PolarHBondContact O-N 2.56Å; N846-T850 VanDerWaalsContact O-CB 3.22Å; N846-T850 WeakPolarHBondContact O-CB 3.38Å; N846-T850 PolarHBondContact O-N 2.99Å; N846-T850 VanDerWaalsContact O-N 3.16Å; N846-T850 PolarHBondContact O-OG1 3.33Å
847	M	88.8	Confident	88.5	Confident	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63.3	-50.9	171.8	-172.6	-174.6	56.3	0	0	110.5	L689 K820 V824 S837 I838 D844 K849 T850 A851	L689-M847 HydrophobicContact CD1-SD 3.82Å; K820-M847 HydrophobicContact CB-CB 4.11Å; K820-M847 HydrophobicContact CB-CG 4.26Å; K820-M847 HydrophobicContact CB-SD 4.25Å; K820-M847 HydrophobicContact CD-SD 4.38Å; V824-M847 HydrophobicContact CG2-CB 4.45Å; V824-M847 HydrophobicContact CG2-CG 3.49Å; V824-M847 VanDerWaalsContact CG2-CG 3.49Å; S837-M847 PolarHBondContact OG-O 2.9Å; I838-M847 WeakPolarHBondContact O-CE 3.29Å; D844-M847 HydrophobicContact CB-CE 3.81Å; D844-M847 CarbonylContact O-C 3.56Å; D844-M847 WeakPolarHBondContact O-CA 3.24Å; D844-M847 VanDerWaalsContact O-CB 3.29Å; D844-M847 WeakPolarHBondContact O-CB 3.44Å; D844-M847 PolarHBondContact O-N 2.82Å; M847-K849 PolarHBondContact O-N 2.98Å; M847-T850 PolarHBondContact O-N 3.04Å; M847-T850 VanDerWaalsContact O-N 3.13Å; M847-A851 PolarHBondContact O-N 3.48Å
848	I	90.7	Very high	87.8	Confident	1 Å²	1	10.6 Å²	10.6	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-57.1	-46.1	177.9	-69.5	171.6	0	0	0	112.1	K282 S837 D844 V845 T850 A865 A869	K282-I848 PolarHBondContact NZ-O 3.22Å; S837-I848 VanDerWaalsContact OG-CA 3.23Å; S837-I848 WeakPolarHBondContact OG-CA 3.38Å; D844-I848 HydrophobicContact CB-CD1 4.14Å; D844-I848 HydrophobicContact CB-CG1 4.48Å; D844-I848 WeakPolarHBondContact O-CB 3.28Å; D844-I848 VanDerWaalsContact O-CG1 3.27Å; D844-I848 WeakPolarHBondContact O-CG1 3.4Å; D844-I848 PolarHBondContact O-N 3.03Å; V845-I848 PolarHBondContact O-N 3.32Å; I848-T850 VanDerWaalsContact C-N 3.3Å; I848-T850 PolarHBondContact O-N 3.03Å; I848-A865 HydrophobicContact CD1-CB 3.94Å; I848-A869 HydrophobicContact CG2-CB 3.91Å
849	K	87.9	Confident	86.5	Confident	38 Å²	38	12.2 Å²	12.2	17%	0.165	8%	0.077	C	C	.	.	H	α-helix	trans	-67.1	-32.8	178.1	-75.5	178.5	-177.8	-178	0	112.6	C276 G277 L279 K282 V845 M847 N868	C276-K849 PolarHBondContact O-NZ 3.15Å; G277-K849 PolarHBondContact O-NZ 3.02Å; L279-K849 HydrophobicContact CD2-CD 4.46Å; L279-K849 HydrophobicContact CD2-CG 4.49Å; K282-K849 WeakPolarHBondContact CE-O 3.2Å; V845-K849 HydrophobicContact CG1-CD 4Å; V845-K849 HydrophobicContact CG1-CG 4.47Å; V845-K849 WeakPolarHBondContact O-CB 3.43Å; V845-K849 VanDerWaalsContact O-CG 3.27Å; V845-K849 WeakPolarHBondContact O-CG 3.3Å; V845-K849 PolarHBondContact O-N 3.21Å; M847-K849 PolarHBondContact O-N 2.98Å; K849-N868 WeakPolarHBondContact CE-OD1 3.42Å; K849-N868 PolarHBondContact NZ-OD1 3.27Å
850	T	89.4	Confident	84.8	Confident	25 Å²	25	23.9 Å²	23.9	15%	0.153	12%	0.121	C	C	.	.	H	α-helix	trans	-83.8	-25.4	-174.3	-59	0	0	0	0	113	A821 V824 K825 R828 N846 M847 I848	A821-T850 WeakPolarHBondContact O-CG2 3.42Å; V824-T850 HydrophobicContact CB-CG2 4.15Å; V824-T850 HydrophobicContact CG1-CG2 4.08Å; K825-T850 HydrophobicContact CD-CG2 4.25Å; K825-T850 HydrophobicContact CG-CG2 3.38Å; R828-T850 VanDerWaalsContact CD-O 3.24Å; R828-T850 WeakPolarHBondContact CD-O 3.47Å; R828-T850 PolarHBondContact NH1-O 2.94Å; N846-T850 VanDerWaalsContact O-CB 3.22Å; N846-T850 WeakPolarHBondContact O-CB 3.38Å; N846-T850 PolarHBondContact O-N 2.99Å; N846-T850 VanDerWaalsContact O-N 3.16Å; N846-T850 PolarHBondContact O-OG1 3.33Å; M847-T850 PolarHBondContact O-N 3.04Å; M847-T850 VanDerWaalsContact O-N 3.13Å; I848-T850 VanDerWaalsContact C-N 3.3Å; I848-T850 PolarHBondContact O-N 3.03Å
851	A	92.8	Very high	83.2	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-69	161.7	175.2	0	0	0	0	0	112.7	K282 V824 S837 M847 I853	K282-A851 VanDerWaalsContact CE-O 3.3Å; K282-A851 WeakPolarHBondContact CE-O 3.15Å; K282-A851 PolarHBondContact NZ-O 3.15Å; V824-A851 HydrophobicContact CG1-CB 3.92Å; S837-A851 WeakPolarHBondContact OG-CB 3.2Å; M847-A851 PolarHBondContact O-N 3.48Å; A851-I853 VanDerWaalsContact C-N 3.27Å; A851-I853 WeakPolarHBondContact CB-O 3.35Å
852	H	93.8	Very high	82.3	Confident	33 Å²	33	25.2 Å²	25.2	15%	0.153	13%	0.132	C	C	.	.	S	Bend	trans	-63.6	-39	171.3	-63.8	98.1	0	0	0	110.9	K282 R828 I834 T835	K282-H852 WeakPolarHBondContact CD-O 3.3Å; R828-H852 PolarHBondContact NE-CE1 2.63Å; R828-H852 PolarHBondContact NE-ND1 3.42Å; R828-H852 PolarHBondContact NE-NE2 2.85Å; R828-H852 VanDerWaalsContact NE-NE2 3.19Å; R828-H852 PolarHBondContact NH2-CD2 3.15Å; R828-H852 PolarHBondContact NH2-NE2 3.38Å; R828-H852 VanDerWaalsContact NH2-NE2 3.14Å; I834-H852 HydrophobicContact CG2-CB 3.9Å; T835-H852 PolarHBondContact N-ND1 3.33Å; T835-H852 VanDerWaalsContact N-ND1 3.19Å; T835-H852 WeakPolarHBondContact O-CB 3.36Å; T835-H852 PolarHBondContact O-N 3.06Å; T835-H852 PolarHBondContact OG1-ND1 2.91Å
853	I	95.3	Very high	82.1	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.3	174.6	-52.7	176	0	0	0	108.3	E398 L399 V402 I834 T835 M836 S837 A851 V855 F871	E398-I853 VanDerWaalsContact C-CD1 3.41Å; E398-I853 HydrophobicContact CB-CD1 3.62Å; E398-I853 HydrophobicContact CB-CG1 4.05Å; L399-I853 HydrophobicContact CD2-CD1 3.9Å; L399-I853 HydrophobicContact CD2-CG2 3.98Å; L399-I853 HydrophobicContact CG-CD1 4.23Å; V402-I853 HydrophobicContact CG2-CD1 3.74Å; I834-I853 HydrophobicContact CG2-CD1 4.15Å; I834-I853 HydrophobicContact CG2-CG1 4.35Å; T835-I853 PolarHBondContact O-N 3.06Å; M836-I853 CarbonylContact C-O 3.49Å; M836-I853 WeakPolarHBondContact CA-O 3.3Å; M836-I853 HydrophobicContact CB-CB 4.39Å; M836-I853 HydrophobicContact CG-CB 4.3Å; M836-I853 HydrophobicContact CG-CG2 4.43Å; S837-I853 PolarHBondContact N-O 3.24Å; A851-I853 VanDerWaalsContact C-N 3.27Å; A851-I853 WeakPolarHBondContact CB-O 3.35Å; I853-V855 HydrophobicContact CG2-CG2 4.27Å; I853-F871 HydrophobicContact CG2-CD2 3.78Å; I853-F871 HydrophobicContact CG2-CE2 3.8Å
854	G	94.6	Very high	81.8	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127	174.5	0	0	0	0	0	110.8	D870 F871	G854-D870 PolarHBondContact N-OD2 3.18Å; G854-D870 WeakPolarHBondContact O-CA 3.27Å; G854-D870 WeakPolarHBondContact O-CB 3.43Å; G854-D870 PolarHBondContact O-N 2.92Å; G854-F871 PolarHBondContact O-N 3.14Å
855	V	95.2	Very high	81.4	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.7	175.6	179.4	0	0	0	0	109.7	M836 S837 I838 G839 I853 F871 V873	M836-V855 HydrophobicContact CE-CB 3.65Å; M836-V855 HydrophobicContact CE-CG1 4.34Å; M836-V855 HydrophobicContact CE-CG2 3.18Å; M836-V855 HydrophobicContact CG-CG2 4.47Å; M836-V855 HydrophobicContact SD-CG2 4.17Å; S837-V855 PolarHBondContact O-N 3.37Å; I838-V855 VanDerWaalsContact CA-O 3.31Å; I838-V855 WeakPolarHBondContact CA-O 3.31Å; I838-V855 HydrophobicContact CB-CB 4.32Å; I838-V855 HydrophobicContact CD1-CB 4.49Å; I838-V855 HydrophobicContact CD1-CG1 4.04Å; I838-V855 HydrophobicContact CG1-CB 4.21Å; I838-V855 HydrophobicContact CG1-CG1 4.14Å; G839-V855 PolarHBondContact N-O 3.31Å; I853-V855 HydrophobicContact CG2-CG2 4.27Å; V855-F871 CarbonylContact C-O 2.94Å; V855-F871 VanDerWaalsContact CA-O 3.29Å; V855-F871 WeakPolarHBondContact CA-O 3.39Å; V855-F871 HydrophobicContact CG2-CB 4.06Å; V855-F871 HydrophobicContact CG2-CD2 4.36Å; V855-V873 HydrophobicContact CG1-CG1 4.34Å; V855-V873 HydrophobicContact CG1-CG2 3.64Å
856	G	92.9	Very high	81.4	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.6	178	0	0	0	0	0	109.5	G839 F871 A872 V873	G839-G856 CarbonylContact O-C 3.58Å; G839-G856 WeakPolarHBondContact O-CA 3.48Å; G856-F871 PolarHBondContact N-O 3.15Å; G856-A872 WeakPolarHBondContact O-CA 3.26Å; G856-V873 PolarHBondContact O-N 2.9Å
857	L	90.3	Very high	81.1	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.2	176	-158.9	146.4	0	0	0	109.9	T412 I838 G839 D840 G859 V866 V873 F876	T412-L857 HydrophobicContact CG2-CD1 4.4Å; I838-L857 HydrophobicContact CD1-CD1 4.4Å; G839-L857 PolarHBondContact O-N 3.37Å; D840-L857 HydrophobicContact CB-CB 3.94Å; L857-G859 VanDerWaalsContact C-N 3.3Å; L857-G859 PolarHBondContact O-N 3.06Å; L857-V866 WeakPolarHBondContact O-CG2 3.35Å; L857-V873 CarbonylContact C-O 3.41Å; L857-V873 WeakPolarHBondContact CA-O 3.45Å; L857-F876 HydrophobicContact CD1-CB 4.25Å
858	A	81.1	Confident	80.7	Confident	18 Å²	18	31.1 Å²	31.1	15%	0.149	17%	0.165	C	C	.	.			trans	-80.7	79.5	178.7	0	0	0	0	0	109.7	K386 V866 V873	K386-A858 HydrophobicContact CD-CB 4.26Å; A858-V866 HydrophobicContact CB-CG2 3.91Å; A858-V873 PolarHBondContact N-O 3.13Å
859	G	67.2	Low	80.6	Confident	33 Å²	33	31.4 Å²	31.4	34%	0.34	17%	0.168	S	C	.	.			trans	-82.2	-172.1	178.7	0	0	0	0	0	114.2	L857 E861	L857-G859 VanDerWaalsContact C-N 3.3Å; L857-G859 PolarHBondContact O-N 3.06Å; G859-E861 VanDerWaalsContact C-N 3.25Å
860	R	55.8	Low	80.8	Confident	246 Å²	246	30.2 Å²	30.2	93%	0.928	16%	0.163	S	C	*	.	S	Bend	trans	-73.4	-23.3	165.5	-73.6	-178.8	168.2	-172	-7.2	112
861	E	53.9	Low	81	Confident	16 Å²	16	29.1 Å²	29.1	8%	0.075	16%	0.156	C	C	.	.	S	Bend	trans	-72.9	157.3	175.3	-59.1	-179.9	-166.4	0	0	110.2	G179 T181 N416 G859	G179-E861 VanDerWaalsContact CA-OE2 3.27Å; G179-E861 WeakPolarHBondContact CA-OE2 3.43Å; T181-E861 HydrophobicContact CG2-CG 4.36Å; N416-E861 PolarHBondContact ND2-OE1 2.95Å; G859-E861 VanDerWaalsContact C-N 3.25Å
862	G	58.2	Low	80.9	Confident	20 Å²	20	29.4 Å²	29.4	21%	0.206	16%	0.158	C	C	.	.			trans	-48.2	146.7	-172.9	0	0	0	0	0	114.7	D176 Q864	D176-G862 WeakPolarHBondContact OD1-CA 3.44Å; G862-Q864 PolarHBondContact O-N 3.11Å
863	G	68.3	Low	80.9	Confident	36 Å²	36	28 Å²	28	37%	0.371	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	9.5	-173.5	0	0	0	0	0	116.4	A865 V866 H867	G863-A865 PolarHBondContact O-N 3.38Å; G863-V866 WeakPolarHBondContact O-CB 3.46Å; G863-V866 PolarHBondContact O-N 3.45Å; G863-H867 PolarHBondContact O-N 2.91Å; G863-H867 PolarHBondContact O-ND1 2.75Å
864	Q	70	Confident	80.7	Confident	37 Å²	37	28 Å²	28	17%	0.173	15%	0.152	C	C	.	.	H	α-helix	trans	-63.4	-39.3	-168.2	-68	-158.4	17.5	0	0	114.1	D176 A842 V845 G862 H867 N868	D176-Q864 PolarHBondContact O-NE2 3.36Å; A842-Q864 HydrophobicContact CB-CB 4.23Å; V845-Q864 HydrophobicContact CG2-CB 4.49Å; G862-Q864 PolarHBondContact O-N 3.11Å; Q864-H867 PolarHBondContact O-N 3.38Å; Q864-N868 PolarHBondContact O-N 2.85Å; Q864-N868 PolarHBondContact O-ND2 2.65Å
865	A	77.3	Confident	80.6	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.3	-47	175.5	0	0	0	0	0	110.9	D840 I848 G863 H867 N868 A869	D840-A865 WeakPolarHBondContact O-CB 3.43Å; I848-A865 HydrophobicContact CD1-CB 3.94Å; G863-A865 PolarHBondContact O-N 3.38Å; A865-H867 VanDerWaalsContact C-N 3.34Å; A865-H867 PolarHBondContact O-N 2.92Å; A865-N868 CarbonylContact O-C 3.59Å; A865-N868 PolarHBondContact O-N 2.84Å; A865-N868 VanDerWaalsContact O-N 3.14Å; A865-A869 VanDerWaalsContact O-CB 3.27Å; A865-A869 WeakPolarHBondContact O-CB 3.46Å; A865-A869 PolarHBondContact O-N 2.99Å
866	V	82.1	Confident	80.5	Confident	19 Å²	19	29.2 Å²	29.2	12%	0.115	16%	0.158	C	C	.	.	H	α-helix	trans	-57.5	-44.1	177.6	170.6	0	0	0	0	112	R391 L857 A858 G863 N868 A869 A872	R391-V866 WeakPolarHBondContact CD-O 3.5Å; R391-V866 PolarHBondContact NE-O 3.38Å; L857-V866 WeakPolarHBondContact O-CG2 3.35Å; A858-V866 HydrophobicContact CB-CG2 3.91Å; G863-V866 WeakPolarHBondContact O-CB 3.46Å; G863-V866 PolarHBondContact O-N 3.45Å; V866-N868 PolarHBondContact O-N 2.9Å; V866-A869 PolarHBondContact O-N 3.45Å; V866-A872 HydrophobicContact CG1-CB 3.67Å
867	H	78.3	Confident	80.6	Confident	99 Å²	99	32.2 Å²	32.2	46%	0.458	17%	0.169	S	C	.	.	H	α-helix	trans	-65	-30.1	-179.8	-74.1	88.5	0	0	0	113.2	G863 Q864 A865	G863-H867 PolarHBondContact O-N 2.91Å; G863-H867 PolarHBondContact O-ND1 2.75Å; Q864-H867 PolarHBondContact O-N 3.38Å; A865-H867 VanDerWaalsContact C-N 3.34Å; A865-H867 PolarHBondContact O-N 2.92Å
868	N	79.3	Confident	80.9	Confident	31 Å²	31	32.5 Å²	32.5	17%	0.166	17%	0.171	C	C	.	.	H	α-helix	trans	-100.8	-3.6	-176.4	-72.2	-80.9	0	0	0	114.1	V845 K849 Q864 A865 V866	V845-N868 HydrophobicContact CG1-CB 3.8Å; V845-N868 HydrophobicContact CG2-CB 4.4Å; K849-N868 WeakPolarHBondContact CE-OD1 3.42Å; K849-N868 PolarHBondContact NZ-OD1 3.27Å; Q864-N868 PolarHBondContact O-N 2.85Å; Q864-N868 PolarHBondContact O-ND2 2.65Å; A865-N868 CarbonylContact O-C 3.59Å; A865-N868 PolarHBondContact O-N 2.84Å; A865-N868 VanDerWaalsContact O-N 3.14Å; V866-N868 PolarHBondContact O-N 2.9Å
869	A	89.1	Confident	81.5	Confident	7 Å²	7	31.7 Å²	31.7	6%	0.058	16%	0.163	C	C	.	.			trans	-84.7	160.1	179.9	0	0	0	0	0	113.2	I848 A865 V866 F871	I848-A869 HydrophobicContact CG2-CB 3.91Å; A865-A869 VanDerWaalsContact O-CB 3.27Å; A865-A869 WeakPolarHBondContact O-CB 3.46Å; A865-A869 PolarHBondContact O-N 2.99Å; V866-A869 PolarHBondContact O-N 3.45Å; A869-F871 WeakPolarHBondContact CB-O 3.45Å
870	D	91.4	Very high	82.9	Confident	13 Å²	13	32.4 Å²	32.4	7%	0.07	16%	0.158	C	C	.	.	S	Bend	trans	-78.6	-41	173.3	-61.9	-60.5	0	0	0	111	K282 R391 N392 L395 G854	K282-D870 WeakPolarHBondContact CD-OD2 3.44Å; K282-D870 VanDerWaalsContact CE-OD2 3.31Å; K282-D870 WeakPolarHBondContact CE-OD2 3.42Å; K282-D870 IonicContact NZ-OD2 3.48Å; K282-D870 PolarHBondContact NZ-OD2 2.9Å; R391-D870 WeakPolarHBondContact CA-O 3.4Å; R391-D870 PolarHBondContact N-O 3.24Å; N392-D870 HydrophobicContact CB-CB 3.78Å; N392-D870 WeakPolarHBondContact CB-OD1 3.24Å; N392-D870 PolarHBondContact N-O 2.85Å; N392-D870 PolarHBondContact ND2-OD1 3.28Å; L395-D870 HydrophobicContact CD1-CB 3.86Å; L395-D870 WeakPolarHBondContact CD1-OD1 3.4Å; G854-D870 PolarHBondContact N-OD2 3.18Å; G854-D870 WeakPolarHBondContact O-CA 3.27Å; G854-D870 WeakPolarHBondContact O-CB 3.43Å; G854-D870 PolarHBondContact O-N 2.92Å
871	F	93.4	Very high	84.7	Confident	1 Å²	1	22 Å²	22	0%	0.004	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	141.6	172.7	-56.8	-90.5	0	0	0	109.9	I373 E389 A390 L395 L399 I853 G854 V855 G856 A869 L882	I373-F871 HydrophobicContact CD1-CD1 4.43Å; I373-F871 HydrophobicContact CD1-CE1 3.89Å; E389-F871 CarbonylContact O-C 3.55Å; E389-F871 WeakPolarHBondContact O-CA 3.42Å; A390-F871 HydrophobicContact CB-CD1 3.77Å; A390-F871 HydrophobicContact CB-CE1 3.73Å; L395-F871 HydrophobicContact CB-CE2 4.12Å; L395-F871 HydrophobicContact CB-CZ 4.24Å; L399-F871 HydrophobicContact CD1-CD1 4.38Å; L399-F871 HydrophobicContact CD1-CE1 3.77Å; L399-F871 HydrophobicContact CD1-CE2 3.91Å; L399-F871 HydrophobicContact CD1-CZ 3.51Å; L399-F871 HydrophobicContact CD2-CD2 4.16Å; L399-F871 HydrophobicContact CD2-CE2 3.88Å; L399-F871 HydrophobicContact CD2-CZ 4.35Å; L399-F871 HydrophobicContact CG-CE2 3.91Å; L399-F871 HydrophobicContact CG-CZ 3.93Å; I853-F871 HydrophobicContact CG2-CD2 3.78Å; I853-F871 HydrophobicContact CG2-CE2 3.8Å; G854-F871 PolarHBondContact O-N 3.14Å; V855-F871 CarbonylContact C-O 2.94Å; V855-F871 VanDerWaalsContact CA-O 3.29Å; V855-F871 WeakPolarHBondContact CA-O 3.39Å; V855-F871 HydrophobicContact CG2-CB 4.06Å; V855-F871 HydrophobicContact CG2-CD2 4.36Å; G856-F871 PolarHBondContact N-O 3.15Å; A869-F871 WeakPolarHBondContact CB-O 3.45Å; F871-L882 HydrophobicContact CB-CD2 4.45Å
872	A	92.4	Very high	86.8	Confident	6 Å²	6	21.2 Å²	21.2	5%	0.05	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	127.7	173.4	0	0	0	0	0	109.3	A388 E389 G856 V866	A388-A872 CarbonylContact C-O 3.55Å; A388-A872 VanDerWaalsContact CA-O 3.3Å; A388-A872 WeakPolarHBondContact CA-O 3.3Å; E389-A872 HydrophobicContact CB-CB 4.22Å; E389-A872 PolarHBondContact N-O 3.01Å; E389-A872 PolarHBondContact O-N 2.93Å; G856-A872 WeakPolarHBondContact O-CA 3.26Å; V866-A872 HydrophobicContact CG1-CB 3.67Å
873	V	93.8	Very high	88.6	Confident	3 Å²	3	20.3 Å²	20.3	2%	0.018	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	152.7	175	-63.2	0	0	0	0	108.8	A388 V855 G856 L857 A858 L882	A388-V873 HydrophobicContact CB-CG1 4.37Å; V855-V873 HydrophobicContact CG1-CG1 4.34Å; V855-V873 HydrophobicContact CG1-CG2 3.64Å; G856-V873 PolarHBondContact O-N 2.9Å; L857-V873 CarbonylContact C-O 3.41Å; L857-V873 WeakPolarHBondContact CA-O 3.45Å; A858-V873 PolarHBondContact N-O 3.13Å; V873-L882 HydrophobicContact CG1-CD2 4.14Å
874	S	90.9	Very high	89.8	Confident	1 Å²	1	18.6 Å²	18.6	1%	0.007	9%	0.088	C	C	.	.	S	Bend	trans	-93.8	-18.8	-177.2	37.5	0	0	0	0	114.2	W381 F878	W381-S874 WeakPolarHBondContact CB-OG 3.12Å; S874-F878 WeakPolarHBondContact OG-CE2 3.35Å
875	Q	91.9	Very high	91	Very high	25 Å²	25	16.9 Å²	16.9	12%	0.117	8%	0.08	C	C	.	.	S	Bend	trans	-143	150.7	178.6	-68	-67.8	-62.3	0	0	110.3	W381 R877 F878	W381-Q875 HydrophobicContact CD2-CG 3.9Å; W381-Q875 HydrophobicContact CE3-CG 3.84Å; W381-Q875 HydrophobicContact CG-CG 4.49Å; W381-Q875 HydrophobicContact CH2-CG 4.21Å; W381-Q875 HydrophobicContact CZ2-CG 4.25Å; W381-Q875 HydrophobicContact CZ3-CG 4Å; Q875-R877 VanDerWaalsContact C-N 3.29Å; Q875-R877 HydrophobicContact CB-CG 4.1Å; Q875-R877 PolarHBondContact O-N 2.75Å; Q875-F878 HydrophobicContact CB-CD2 3.89Å; Q875-F878 HydrophobicContact CB-CE2 3.79Å; Q875-F878 HydrophobicContact CB-CZ 4.45Å; Q875-F878 HydrophobicContact CG-CE2 4.11Å; Q875-F878 PolarHBondContact O-N 3.35Å
876	F	93.9	Very high	91.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-36.1	179.1	-172.8	-88.9	0	0	0	112.3	L405 T412 L413 V672 T675 I676 I838 L857 F878 L879	L405-F876 HydrophobicContact CD2-CZ 4.19Å; T412-F876 HydrophobicContact CG2-CD2 4Å; T412-F876 HydrophobicContact CG2-CE2 4.44Å; L413-F876 HydrophobicContact CD2-CD1 4.46Å; L413-F876 HydrophobicContact CD2-CD2 3.91Å; L413-F876 HydrophobicContact CD2-CE1 4.2Å; L413-F876 HydrophobicContact CD2-CE2 3.61Å; L413-F876 HydrophobicContact CD2-CG 4.33Å; L413-F876 HydrophobicContact CD2-CZ 3.77Å; V672-F876 HydrophobicContact CB-CD1 4.38Å; V672-F876 HydrophobicContact CG1-CD1 4.32Å; V672-F876 HydrophobicContact CG1-CE1 4.47Å; V672-F876 HydrophobicContact CG2-CB 3.9Å; V672-F876 HydrophobicContact CG2-CD1 3.87Å; V672-F876 HydrophobicContact CG2-CG 4.09Å; T675-F876 HydrophobicContact CG2-CD1 3.92Å; T675-F876 HydrophobicContact CG2-CE1 3.66Å; I676-F876 HydrophobicContact CD1-CE1 4.41Å; I676-F876 HydrophobicContact CG1-CE1 3.88Å; I676-F876 HydrophobicContact CG1-CZ 4.14Å; I838-F876 HydrophobicContact CD1-CD2 3.97Å; I838-F876 HydrophobicContact CD1-CE2 4.33Å; I838-F876 HydrophobicContact CG2-CE2 4.13Å; L857-F876 HydrophobicContact CD1-CB 4.25Å; F876-F878 PolarHBondContact O-N 2.95Å; F876-F878 VanDerWaalsContact O-N 3.11Å; F876-L879 HydrophobicContact CE2-CD2 4.36Å; F876-L879 HydrophobicContact CZ-CD2 4.28Å; F876-L879 WeakPolarHBondContact O-CB 3.2Å; F876-L879 PolarHBondContact O-N 3.18Å
877	R	94.1	Very high	92.4	Very high	64 Å²	64	16.5 Å²	16.5	24%	0.242	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-27.4	-178.9	68.6	176.5	-170.1	-178.6	-3.4	114.9	E670 T675 Q875 L879 Q880	E670-R877 WeakPolarHBondContact O-CB 3.33Å; E670-R877 IonicContact OE1-CZ 3.69Å; E670-R877 IonicContact OE1-NH1 3.5Å; E670-R877 PolarHBondContact OE1-NH1 3.12Å; E670-R877 IonicContact OE2-NH1 3.07Å; T675-R877 WeakPolarHBondContact OG1-CA 3.47Å; Q875-R877 VanDerWaalsContact C-N 3.29Å; Q875-R877 HydrophobicContact CB-CG 4.1Å; Q875-R877 PolarHBondContact O-N 2.75Å; R877-L879 PolarHBondContact O-N 3.42Å; R877-L879 VanDerWaalsContact O-N 3.12Å; R877-Q880 VanDerWaalsContact O-CG 3.23Å; R877-Q880 WeakPolarHBondContact O-CG 3.49Å; R877-Q880 PolarHBondContact O-N 2.84Å
878	F	95.6	Very high	93.1	Very high	8 Å²	8	12.7 Å²	12.7	4%	0.035	6%	0.059	C	C	.	.	H	α-helix	trans	-67.3	-14.7	179.3	-59.9	-41.5	0	0	0	112.1	E378 M379 W381 S874 Q875 F876 Q880 R881 L882	E378-F878 WeakPolarHBondContact O-CD1 3.46Å; E378-F878 WeakPolarHBondContact O-CE1 3.07Å; M379-F878 HydrophobicContact CB-CB 4.41Å; M379-F878 HydrophobicContact CB-CD1 4.36Å; M379-F878 HydrophobicContact CB-CG 4.29Å; M379-F878 HydrophobicContact CG-CB 4.2Å; M379-F878 HydrophobicContact CG-CD1 4.34Å; M379-F878 HydrophobicContact CG-CG 4.42Å; W381-F878 HydrophobicContact CB-CE2 4.19Å; W381-F878 HydrophobicContact CB-CZ 4.47Å; W381-F878 HydrophobicContact CE3-CZ 4.15Å; S874-F878 WeakPolarHBondContact OG-CE2 3.35Å; Q875-F878 HydrophobicContact CB-CD2 3.89Å; Q875-F878 HydrophobicContact CB-CE2 3.79Å; Q875-F878 HydrophobicContact CB-CZ 4.45Å; Q875-F878 HydrophobicContact CG-CE2 4.11Å; Q875-F878 PolarHBondContact O-N 3.35Å; F876-F878 PolarHBondContact O-N 2.95Å; F876-F878 VanDerWaalsContact O-N 3.11Å; F878-Q880 VanDerWaalsContact C-N 3.28Å; F878-Q880 PolarHBondContact O-N 3.37Å; F878-R881 PolarHBondContact O-N 3.26Å; F878-R881 VanDerWaalsContact O-N 3.17Å; F878-L882 WeakPolarHBondContact O-CB 3.28Å; F878-L882 PolarHBondContact O-N 3.15Å
879	L	95.4	Very high	93.8	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.8	-34.7	175.9	-169.5	58.8	0	0	0	113	L405 T675 L679 M836 F876 R877 R881 L882 L883	L405-L879 HydrophobicContact CD1-CD2 3.99Å; L405-L879 HydrophobicContact CD2-CD2 3.55Å; L405-L879 HydrophobicContact CG-CD2 4.44Å; T675-L879 HydrophobicContact CG2-CB 4.4Å; L679-L879 HydrophobicContact CD1-CD2 3.98Å; L679-L879 HydrophobicContact CD1-CG 4.37Å; M836-L879 HydrophobicContact CE-CD1 3.19Å; M836-L879 HydrophobicContact CE-CD2 3.99Å; M836-L879 HydrophobicContact CE-CG 4.24Å; M836-L879 HydrophobicContact SD-CD1 3.95Å; F876-L879 HydrophobicContact CE2-CD2 4.36Å; F876-L879 HydrophobicContact CZ-CD2 4.28Å; F876-L879 WeakPolarHBondContact O-CB 3.2Å; F876-L879 PolarHBondContact O-N 3.18Å; R877-L879 PolarHBondContact O-N 3.42Å; R877-L879 VanDerWaalsContact O-N 3.12Å; L879-R881 VanDerWaalsContact C-N 3.26Å; L879-R881 PolarHBondContact O-N 2.9Å; L879-L882 HydrophobicContact CD1-CD2 4.27Å; L879-L882 PolarHBondContact O-N 3.42Å; L879-L883 HydrophobicContact CD1-CD1 3.65Å; L879-L883 HydrophobicContact CD1-CD2 4.47Å; L879-L883 HydrophobicContact CD1-CG 3.73Å; L879-L883 HydrophobicContact CD2-CD1 4.32Å; L879-L883 HydrophobicContact CG-CD1 3.76Å; L879-L883 HydrophobicContact CG-CG 4.21Å; L879-L883 WeakPolarHBondContact O-CB 3.43Å; L879-L883 PolarHBondContact O-N 3.39Å
880	Q	94.9	Very high	94	Very high	48 Å²	48	12.1 Å²	12.1	22%	0.224	5%	0.053	C	C	.	.	H	α-helix	trans	-59.2	-41.2	176.5	79.8	-167.9	0.3	0	0	110.9	T675 L678 R877 F878 L884 L960	T675-Q880 HydrophobicContact CG2-CB 4.06Å; T675-Q880 PolarHBondContact OG1-OE1 3.33Å; L678-Q880 HydrophobicContact CD1-CB 4.46Å; R877-Q880 VanDerWaalsContact O-CG 3.23Å; R877-Q880 WeakPolarHBondContact O-CG 3.49Å; R877-Q880 PolarHBondContact O-N 2.84Å; F878-Q880 VanDerWaalsContact C-N 3.28Å; F878-Q880 PolarHBondContact O-N 3.37Å; Q880-L884 WeakPolarHBondContact O-CB 3.43Å; Q880-L884 VanDerWaalsContact O-CG 3.23Å; Q880-L884 WeakPolarHBondContact O-CG 3.15Å; Q880-L884 PolarHBondContact O-N 2.86Å; Q880-L960 HydrophobicContact CB-CD2 4.33Å; Q880-L960 HydrophobicContact CG-CD2 3.98Å
881	R	95.4	Very high	94.1	Very high	27 Å²	27	11.7 Å²	11.7	10%	0.102	5%	0.05	C	C	.	.	H	α-helix	trans	-80.5	-40.5	-179.4	-170.8	165.9	176.4	112.5	-16.5	111.6	D376 E378 M379 F878 L879 L883 V885 H886	D376-R881 IonicContact OD1-CZ 3.08Å; D376-R881 IonicContact OD1-NE 3.9Å; D376-R881 PolarHBondContact OD1-NE 2.99Å; D376-R881 IonicContact OD1-NH2 3.88Å; D376-R881 PolarHBondContact OD1-NH2 2.82Å; D376-R881 VanDerWaalsContact OD1-NH2 3.09Å; D376-R881 IonicContact OD2-CZ 3.17Å; D376-R881 IonicContact OD2-NE 3.89Å; D376-R881 PolarHBondContact OD2-NE 3.07Å; D376-R881 IonicContact OD2-NH2 2.67Å; D376-R881 PolarHBondContact OD2-NH2 3.26Å; E378-R881 IonicContact OE1-CZ 3.5Å; E378-R881 IonicContact OE1-NH1 2.93Å; E378-R881 PolarHBondContact OE1-NH1 3.23Å; E378-R881 IonicContact OE1-NH2 3.7Å; E378-R881 PolarHBondContact OE1-NH2 3.25Å; E378-R881 IonicContact OE2-CZ 2.63Å; E378-R881 IonicContact OE2-NE 3.95Å; E378-R881 IonicContact OE2-NH1 3.93Å; E378-R881 PolarHBondContact OE2-NH1 3.37Å; E378-R881 IonicContact OE2-NH2 2.66Å; M379-R881 HydrophobicContact CG-CB 4.27Å; M379-R881 HydrophobicContact CG-CG 4.25Å; M379-R881 HydrophobicContact SD-CB 4.13Å; M379-R881 HydrophobicContact SD-CG 4.18Å; F878-R881 PolarHBondContact O-N 3.26Å; F878-R881 VanDerWaalsContact O-N 3.17Å; L879-R881 VanDerWaalsContact C-N 3.26Å; L879-R881 PolarHBondContact O-N 2.9Å; R881-L883 PolarHBondContact O-N 2.81Å; R881-V885 HydrophobicContact CG-CB 4.2Å; R881-V885 HydrophobicContact CG-CG2 4.16Å; R881-V885 WeakPolarHBondContact O-CA 3.32Å; R881-V885 VanDerWaalsContact O-CB 3.25Å; R881-V885 WeakPolarHBondContact O-CB 3.22Å; R881-V885 PolarHBondContact O-N 3.31Å; R881-V885 VanDerWaalsContact O-N 3.11Å; R881-H886 PolarHBondContact O-N 3.25Å; R881-H886 VanDerWaalsContact O-N 3.17Å
882	L	96.4	Very high	93.9	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	6%	0.058	C	C	.	.	I	π-helix	trans	-57.7	-45.8	176.9	-178	63	0	0	0	112	I373 M379 L399 F871 V873 F878 L879 H886 G887	I373-L882 HydrophobicContact CD1-CD1 4.09Å; I373-L882 HydrophobicContact CG1-CD1 4.35Å; I373-L882 HydrophobicContact CG2-CD1 3.92Å; M379-L882 HydrophobicContact SD-CB 4.15Å; L399-L882 HydrophobicContact CD1-CD1 3.8Å; L399-L882 HydrophobicContact CD1-CG 4.09Å; L399-L882 HydrophobicContact CD2-CD2 4.43Å; L399-L882 HydrophobicContact CD2-CG 4.36Å; F871-L882 HydrophobicContact CB-CD2 4.45Å; V873-L882 HydrophobicContact CG1-CD2 4.14Å; F878-L882 WeakPolarHBondContact O-CB 3.28Å; F878-L882 PolarHBondContact O-N 3.15Å; L879-L882 HydrophobicContact CD1-CD2 4.27Å; L879-L882 PolarHBondContact O-N 3.42Å; L882-H886 WeakPolarHBondContact O-CB 3.45Å; L882-G887 PolarHBondContact O-N 3.38Å
883	L	95.7	Very high	94	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.057	C	C	.	.	I	π-helix	trans	-82.8	-57.1	-178.9	-65.6	176.2	0	0	0	112.3	L399 V402 L679 I684 M836 L879 R881 V885 G887 R888 Y966	L399-L883 HydrophobicContact CB-CD2 4.15Å; L399-L883 HydrophobicContact CD2-CD2 3.77Å; L399-L883 VanDerWaalsContact O-CD2 3.27Å; L399-L883 WeakPolarHBondContact O-CD2 3.3Å; V402-L883 HydrophobicContact CB-CD2 4.37Å; V402-L883 HydrophobicContact CG2-CD2 3.85Å; L679-L883 HydrophobicContact CD2-CD1 3.8Å; I684-L883 HydrophobicContact CD1-CD1 4.03Å; M836-L883 HydrophobicContact SD-CD1 4.17Å; M836-L883 HydrophobicContact SD-CD2 3.94Å; M836-L883 HydrophobicContact SD-CG 4.48Å; L879-L883 HydrophobicContact CD1-CD1 3.65Å; L879-L883 HydrophobicContact CD1-CD2 4.47Å; L879-L883 HydrophobicContact CD1-CG 3.73Å; L879-L883 HydrophobicContact CD2-CD1 4.32Å; L879-L883 HydrophobicContact CG-CD1 3.76Å; L879-L883 HydrophobicContact CG-CG 4.21Å; L879-L883 WeakPolarHBondContact O-CB 3.43Å; L879-L883 PolarHBondContact O-N 3.39Å; R881-L883 PolarHBondContact O-N 2.81Å; L883-V885 VanDerWaalsContact C-N 3.33Å; L883-V885 PolarHBondContact O-N 3.4Å; L883-G887 WeakPolarHBondContact O-CA 3.2Å; L883-G887 PolarHBondContact O-N 3.29Å; L883-R888 PolarHBondContact O-N 2.88Å; L883-R888 VanDerWaalsContact O-N 3.12Å; L883-Y966 HydrophobicContact CB-CE2 4.33Å; L883-Y966 WeakPolarHBondContact O-CE2 3.41Å
884	L	94.7	Very high	93.8	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	6%	0.056	C	C	.	.	I	π-helix	trans	-73.9	-24.7	-168.7	-53.5	177.3	0	0	0	112.9	L678 A682 Q880 R888 S959 L960 P963 Y966	L678-L884 HydrophobicContact CB-CD1 4.34Å; A682-L884 HydrophobicContact CB-CD2 3.58Å; Q880-L884 WeakPolarHBondContact O-CB 3.43Å; Q880-L884 VanDerWaalsContact O-CG 3.23Å; Q880-L884 WeakPolarHBondContact O-CG 3.15Å; Q880-L884 PolarHBondContact O-N 2.86Å; L884-R888 WeakPolarHBondContact O-CB 3.44Å; L884-S959 PolarHBondContact O-OG 3.4Å; L884-L960 HydrophobicContact CB-CD2 4.26Å; L884-L960 HydrophobicContact CD1-CD2 4.16Å; L884-P963 HydrophobicContact CD1-CB 4.18Å; L884-P963 HydrophobicContact CD1-CG 4.49Å; L884-Y966 HydrophobicContact CD2-CD2 3.84Å; L884-Y966 HydrophobicContact CD2-CG 3.85Å
885	V	94.9	Very high	93.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.057	C	C	.	.	I	π-helix	trans	-102.7	-70.5	177.6	-177.6	0	0	0	0	110.1	R881 L883 W889 A956 L960	R881-V885 HydrophobicContact CG-CB 4.2Å; R881-V885 HydrophobicContact CG-CG2 4.16Å; R881-V885 WeakPolarHBondContact O-CA 3.32Å; R881-V885 VanDerWaalsContact O-CB 3.25Å; R881-V885 WeakPolarHBondContact O-CB 3.22Å; R881-V885 PolarHBondContact O-N 3.31Å; R881-V885 VanDerWaalsContact O-N 3.11Å; L883-V885 VanDerWaalsContact C-N 3.33Å; L883-V885 PolarHBondContact O-N 3.4Å; V885-W889 HydrophobicContact CG1-CD2 3.9Å; V885-W889 HydrophobicContact CG1-CE3 3.55Å; V885-W889 HydrophobicContact CG1-CH2 3.49Å; V885-W889 VanDerWaalsContact CG1-CH2 3.49Å; V885-W889 HydrophobicContact CG1-CZ2 3.81Å; V885-W889 HydrophobicContact CG1-CZ3 3.34Å; V885-W889 VanDerWaalsContact O-CB 3.31Å; V885-W889 WeakPolarHBondContact O-CB 3.03Å; V885-W889 VanDerWaalsContact O-CG 3.24Å; V885-W889 PolarHBondContact O-N 3.23Å; V885-A956 HydrophobicContact CG1-CB 3.82Å; V885-A956 HydrophobicContact CG2-CB 4.15Å; V885-L960 HydrophobicContact CG2-CD2 4.19Å; V885-L960 HydrophobicContact CG2-CG 4.08Å
886	H	95.6	Very high	93.7	Very high	12 Å²	12	13.2 Å²	13.2	6%	0.056	6%	0.055	C	C	.	.	I	π-helix	trans	-67.4	-44.7	-172.3	-73.2	-73.4	0	0	0	113.2	I373 D376 M379 R881 L882 S890	I373-H886 HydrophobicContact CD1-CB 4.44Å; I373-H886 HydrophobicContact CG1-CB 4Å; D376-H886 IonicContact OD2-CD2 3.99Å; D376-H886 IonicContact OD2-CE1 3.3Å; D376-H886 IonicContact OD2-NE2 3.37Å; D376-H886 PolarHBondContact OD2-NE2 2.98Å; M379-H886 WeakPolarHBondContact CE-CD2 3.31Å; M379-H886 WeakPolarHBondContact CE-NE2 3.36Å; R881-H886 PolarHBondContact O-N 3.25Å; R881-H886 VanDerWaalsContact O-N 3.17Å; L882-H886 WeakPolarHBondContact O-CB 3.45Å; H886-S890 VanDerWaalsContact O-CB 3.23Å; H886-S890 WeakPolarHBondContact O-CB 3.39Å; H886-S890 PolarHBondContact O-N 3.5Å; H886-S890 PolarHBondContact O-OG 3.01Å
887	G	94	Very high	93.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.055	C	C	.	.	I	π-helix	trans	-62.9	-49.6	178.7	0	0	0	0	0	112.3	L399 G400 L882 L883 W889 S890 Y891	L399-G887 VanDerWaalsContact CB-CA 3.48Å; G400-G887 WeakPolarHBondContact CA-O 3.39Å; G400-G887 PolarHBondContact N-O 2.66Å; L882-G887 PolarHBondContact O-N 3.38Å; L883-G887 WeakPolarHBondContact O-CA 3.2Å; L883-G887 PolarHBondContact O-N 3.29Å; G887-W889 PolarHBondContact O-N 3.46Å; G887-S890 PolarHBondContact O-N 3.21Å; G887-Y891 WeakPolarHBondContact O-CB 3.22Å; G887-Y891 PolarHBondContact O-N 2.84Å
888	R	92.9	Very high	93.2	Very high	19 Å²	19	10.6 Å²	10.6	7%	0.072	5%	0.046	C	C	.	.	H	α-helix	trans	-58.4	-48.9	175.9	179.3	-176.9	161.3	-168.3	-1	112.3	L883 L884 Y891 R892 D953 V954 S959 L965 Y966	L883-R888 PolarHBondContact O-N 2.88Å; L883-R888 VanDerWaalsContact O-N 3.12Å; L884-R888 WeakPolarHBondContact O-CB 3.44Å; R888-Y891 PolarHBondContact O-N 3.4Å; R888-R892 WeakPolarHBondContact O-CB 3.23Å; R888-R892 PolarHBondContact O-N 3.33Å; R888-D953 IonicContact CZ-OD1 2.75Å; R888-D953 IonicContact CZ-OD2 3.64Å; R888-D953 IonicContact NE-OD2 3.92Å; R888-D953 IonicContact NH2-OD1 3.73Å; R888-D953 PolarHBondContact NH2-OD1 3.38Å; R888-D953 IonicContact NH2-OD2 3.25Å; R888-D953 PolarHBondContact NH2-OD2 2.82Å; R888-V954 VanDerWaalsContact NH1-CG2 3.32Å; R888-S959 PolarHBondContact NH1-OG 3.11Å; R888-L965 VanDerWaalsContact CZ-CB 3.44Å; R888-Y966 HydrophobicContact CB-CD2 4.36Å
889	W	93.8	Very high	92.9	Very high	22 Å²	22	11 Å²	11	8%	0.083	5%	0.047	C	C	.	.	H	α-helix	trans	-62.2	-44.6	178.6	-74.5	-16.9	0	0	0	111.6	V885 G887 R892 R893 Q952 V954 A956	V885-W889 HydrophobicContact CG1-CD2 3.9Å; V885-W889 HydrophobicContact CG1-CE3 3.55Å; V885-W889 HydrophobicContact CG1-CH2 3.49Å; V885-W889 VanDerWaalsContact CG1-CH2 3.49Å; V885-W889 HydrophobicContact CG1-CZ2 3.81Å; V885-W889 HydrophobicContact CG1-CZ3 3.34Å; V885-W889 VanDerWaalsContact O-CB 3.31Å; V885-W889 WeakPolarHBondContact O-CB 3.03Å; V885-W889 VanDerWaalsContact O-CG 3.24Å; V885-W889 PolarHBondContact O-N 3.23Å; G887-W889 PolarHBondContact O-N 3.46Å; W889-R892 PolarHBondContact O-N 3.4Å; W889-R893 VanDerWaalsContact O-CB 3.3Å; W889-R893 WeakPolarHBondContact O-CB 3.42Å; W889-R893 WeakPolarHBondContact O-CD 3.23Å; W889-R893 WeakPolarHBondContact O-CG 3.32Å; W889-R893 PolarHBondContact O-N 3.16Å; W889-Q952 HydrophobicContact CD2-CG 4.41Å; W889-Q952 HydrophobicContact CZ2-CG 4.14Å; W889-V954 PolarHBondContact NE1-O 3.41Å; W889-A956 HydrophobicContact CH2-CB 3.88Å; W889-A956 HydrophobicContact CZ2-CB 4.23Å
890	S	93.3	Very high	92.6	Very high	3 Å²	3	11.1 Å²	11.1	2%	0.021	5%	0.047	C	C	.	.	H	α-helix	trans	-59.7	-49.1	177.9	-60.8	0	0	0	0	111.3	S396 H886 G887 R892 R893 I894	S396-S890 WeakPolarHBondContact O-CB 3.46Å; H886-S890 VanDerWaalsContact O-CB 3.23Å; H886-S890 WeakPolarHBondContact O-CB 3.39Å; H886-S890 PolarHBondContact O-N 3.5Å; H886-S890 PolarHBondContact O-OG 3.01Å; G887-S890 PolarHBondContact O-N 3.21Å; S890-R892 VanDerWaalsContact C-N 3.32Å; S890-R892 PolarHBondContact O-N 3.43Å; S890-R893 PolarHBondContact O-N 3.02Å; S890-I894 WeakPolarHBondContact O-CB 3.45Å; S890-I894 WeakPolarHBondContact O-CG1 3.35Å; S890-I894 PolarHBondContact O-N 2.65Å
891	Y	92.4	Very high	92.4	Very high	5 Å²	5	9 Å²	9	2%	0.02	4%	0.037	C	C	.	.	H	α-helix	trans	-55.4	-46.6	175.8	171.7	-112.6	0	0	0	112.4	Q401 G887 R888 S895 K972 L974 S975	Q401-Y891 HydrophobicContact CG-CD2 3.99Å; Q401-Y891 HydrophobicContact CG-CE2 4.22Å; Q401-Y891 HydrophobicContact CG-CG 4.45Å; G887-Y891 WeakPolarHBondContact O-CB 3.22Å; G887-Y891 PolarHBondContact O-N 2.84Å; R888-Y891 PolarHBondContact O-N 3.4Å; Y891-S895 WeakPolarHBondContact CE2-OG 3.27Å; Y891-S895 VanDerWaalsContact O-CB 3.23Å; Y891-S895 WeakPolarHBondContact O-CB 3.39Å; Y891-S895 PolarHBondContact O-N 3.22Å; Y891-S895 PolarHBondContact O-OG 2.88Å; Y891-K972 WeakPolarHBondContact OH-CA 3.49Å; Y891-L974 HydrophobicContact CD1-CD1 4.35Å; Y891-L974 HydrophobicContact CE1-CB 3.86Å; Y891-L974 HydrophobicContact CE1-CD1 3.92Å; Y891-L974 HydrophobicContact CE1-CG 4.21Å; Y891-L974 PolarHBondContact OH-N 2.94Å; Y891-L974 VanDerWaalsContact OH-N 3.08Å; Y891-S975 WeakPolarHBondContact CE2-OG 3.25Å; Y891-S975 PolarHBondContact OH-N 3.17Å; Y891-S975 PolarHBondContact OH-OG 3.48Å
892	R	90.4	Very high	92	Very high	42 Å²	42	7.8 Å²	7.8	16%	0.158	3%	0.033	C	C	.	.	H	α-helix	trans	-66.7	-50.6	-179	-177.1	-179.1	-180	105.8	15.4	111.8	R888 W889 S890 I894 S895 L896 D953 L974	R888-R892 WeakPolarHBondContact O-CB 3.23Å; R888-R892 PolarHBondContact O-N 3.33Å; W889-R892 PolarHBondContact O-N 3.4Å; S890-R892 VanDerWaalsContact C-N 3.32Å; S890-R892 PolarHBondContact O-N 3.43Å; R892-I894 VanDerWaalsContact C-N 3.34Å; R892-I894 PolarHBondContact O-N 3.02Å; R892-S895 PolarHBondContact O-N 3.22Å; R892-L896 HydrophobicContact CG-CD1 4Å; R892-L896 WeakPolarHBondContact O-CG 3.49Å; R892-L896 PolarHBondContact O-N 2.93Å; R892-D953 VanDerWaalsContact CZ-CB 3.4Å; R892-D953 IonicContact CZ-OD2 3.53Å; R892-D953 IonicContact NE-OD2 3.78Å; R892-D953 IonicContact NH1-OD2 2.76Å; R892-D953 PolarHBondContact NH1-OD2 3.11Å; R892-L974 HydrophobicContact CB-CD1 4.17Å; R892-L974 HydrophobicContact CG-CD1 3.95Å
893	R	93.1	Very high	91.7	Very high	8 Å²	8	7.8 Å²	7.8	3%	0.03	3%	0.033	C	C	.	.	H	α-helix	trans	-55.4	-49.7	179.7	-75.2	164.7	-173.1	170.7	5.2	110.9	W889 S890 L896 F897 A948 F949 E951	W889-R893 VanDerWaalsContact O-CB 3.3Å; W889-R893 WeakPolarHBondContact O-CB 3.42Å; W889-R893 WeakPolarHBondContact O-CD 3.23Å; W889-R893 WeakPolarHBondContact O-CG 3.32Å; W889-R893 PolarHBondContact O-N 3.16Å; S890-R893 PolarHBondContact O-N 3.02Å; R893-L896 PolarHBondContact O-N 2.85Å; R893-F897 VanDerWaalsContact O-CB 3.23Å; R893-F897 WeakPolarHBondContact O-CB 3.09Å; R893-F897 PolarHBondContact O-N 3.48Å; R893-A948 WeakPolarHBondContact CB-O 3.36Å; R893-A948 VanDerWaalsContact CD-O 3.31Å; R893-A948 WeakPolarHBondContact CD-O 3.4Å; R893-F949 PolarHBondContact NH1-O 3.34Å; R893-E951 HydrophobicContact CG-CB 4.23Å; R893-E951 PolarHBondContact NE-O 2.94Å; R893-E951 PolarHBondContact NH2-O 3.42Å
894	I	91.3	Very high	91.4	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-68.5	-38.8	-178.8	-70.7	164.4	0	0	0	111.4	L286 F362 I365 H366 E397 S890 R892 F897 L898	L286-I894 HydrophobicContact CD2-CG2 3.31Å; F362-I894 HydrophobicContact CD2-CG2 4.23Å; F362-I894 HydrophobicContact CE2-CG2 3.6Å; I365-I894 HydrophobicContact CG2-CD1 4.33Å; I365-I894 HydrophobicContact CG2-CG1 3.9Å; H366-I894 WeakPolarHBondContact CE1-CD1 3.35Å; E397-I894 HydrophobicContact CB-CD1 3.72Å; S890-I894 WeakPolarHBondContact O-CB 3.45Å; S890-I894 WeakPolarHBondContact O-CG1 3.35Å; S890-I894 PolarHBondContact O-N 2.65Å; R892-I894 VanDerWaalsContact C-N 3.34Å; R892-I894 PolarHBondContact O-N 3.02Å; I894-F897 WeakPolarHBondContact O-CB 3.32Å; I894-F897 PolarHBondContact O-N 3.33Å; I894-L898 WeakPolarHBondContact O-CB 3.35Å; I894-L898 PolarHBondContact O-N 3.26Å
895	S	89.3	Confident	91.1	Very high	3 Å²	3	7.8 Å²	7.8	2%	0.021	3%	0.033	C	C	.	.	H	α-helix	trans	-65.5	-39.2	176.2	-63.3	0	0	0	0	112.7	Y891 R892 R899	Y891-S895 WeakPolarHBondContact CE2-OG 3.27Å; Y891-S895 VanDerWaalsContact O-CB 3.23Å; Y891-S895 WeakPolarHBondContact O-CB 3.39Å; Y891-S895 PolarHBondContact O-N 3.22Å; Y891-S895 PolarHBondContact O-OG 2.88Å; R892-S895 PolarHBondContact O-N 3.22Å; S895-R899 WeakPolarHBondContact O-CD 3.02Å; S895-R899 VanDerWaalsContact O-CG 3.28Å; S895-R899 WeakPolarHBondContact O-CG 3.25Å; S895-R899 PolarHBondContact O-N 3.5Å
896	L	89.8	Confident	90.8	Very high	14 Å²	14	8.2 Å²	8.2	7%	0.073	4%	0.036	C	C	.	.	H	α-helix	trans	-67.8	-45.9	175.4	-73.3	171.1	0	0	0	111.1	R892 R893 L898 R899 Y900 M947 E951	R892-L896 HydrophobicContact CG-CD1 4Å; R892-L896 WeakPolarHBondContact O-CG 3.49Å; R892-L896 PolarHBondContact O-N 2.93Å; R893-L896 PolarHBondContact O-N 2.85Å; L896-L898 PolarHBondContact O-N 3.45Å; L896-R899 PolarHBondContact O-N 3.02Å; L896-Y900 WeakPolarHBondContact O-CB 3.41Å; L896-Y900 PolarHBondContact O-N 3.05Å; L896-M947 HydrophobicContact CB-CE 4.15Å; L896-M947 HydrophobicContact CB-SD 4.03Å; L896-E951 HydrophobicContact CD1-CG 4.02Å
897	F	91.3	Very high	90.6	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-52.5	-52.4	173.9	165.5	-110.3	0	0	0	112	L358 T361 F362 I365 R893 I894 R899 Y900 F901 V944 A948	L358-F897 HydrophobicContact CD1-CD1 4.21Å; L358-F897 HydrophobicContact CD1-CE1 3.19Å; L358-F897 HydrophobicContact CD1-CE2 4.45Å; L358-F897 HydrophobicContact CD1-CZ 3.33Å; T361-F897 HydrophobicContact CG2-CE2 3.52Å; T361-F897 HydrophobicContact CG2-CZ 3.55Å; F362-F897 HydrophobicContact CB-CE1 4.39Å; F362-F897 HydrophobicContact CD2-CE1 4.39Å; I365-F897 HydrophobicContact CD1-CB 4.49Å; I365-F897 HydrophobicContact CD1-CD1 3.69Å; I365-F897 HydrophobicContact CD1-CD2 3.81Å; I365-F897 HydrophobicContact CD1-CE1 3.74Å; I365-F897 HydrophobicContact CD1-CE2 3.91Å; I365-F897 HydrophobicContact CD1-CG 3.72Å; I365-F897 HydrophobicContact CD1-CZ 3.88Å; R893-F897 VanDerWaalsContact O-CB 3.23Å; R893-F897 WeakPolarHBondContact O-CB 3.09Å; R893-F897 PolarHBondContact O-N 3.48Å; I894-F897 WeakPolarHBondContact O-CB 3.32Å; I894-F897 PolarHBondContact O-N 3.33Å; F897-R899 PolarHBondContact O-N 2.82Å; F897-Y900 PolarHBondContact O-N 3.31Å; F897-F901 HydrophobicContact CE2-CB 4.48Å; F897-F901 AromaticContact CE2-CD2 3.92Å; F897-F901 HydrophobicContact CE2-CD2 3.92Å; F897-F901 AromaticContact CZ-CD2 3.95Å; F897-F901 HydrophobicContact CZ-CD2 3.95Å; F897-F901 VanDerWaalsContact O-CB 3.25Å; F897-F901 WeakPolarHBondContact O-CB 3.46Å; F897-F901 PolarHBondContact O-N 3.47Å; F897-V944 HydrophobicContact CD2-CG1 3.3Å; F897-V944 HydrophobicContact CE2-CG1 3.49Å; F897-V944 VanDerWaalsContact CE2-CG1 3.49Å; F897-A948 HydrophobicContact CB-CB 4.16Å; F897-A948 HydrophobicContact CD2-CB 4.38Å; F897-A948 HydrophobicContact CG-CB 4.4Å
898	L	87.9	Confident	90.4	Very high	10 Å²	10	7.7 Å²	7.7	5%	0.052	3%	0.033	C	C	.	.	H	α-helix	trans	-59.5	-44.6	-177.9	179.4	63.5	0	0	0	112.2	L286 F290 L358 I894 L896 F901 L902 L980	L286-L898 HydrophobicContact CD1-CD2 3.97Å; L286-L898 HydrophobicContact CG-CD2 4.5Å; F290-L898 HydrophobicContact CD2-CD1 3.86Å; F290-L898 HydrophobicContact CE2-CD1 4.22Å; L358-L898 HydrophobicContact CD1-CD1 4.43Å; L358-L898 HydrophobicContact CD2-CD1 3.96Å; I894-L898 WeakPolarHBondContact O-CB 3.35Å; I894-L898 PolarHBondContact O-N 3.26Å; L896-L898 PolarHBondContact O-N 3.45Å; L898-F901 PolarHBondContact O-N 3.4Å; L898-L902 HydrophobicContact CD1-CD1 4.34Å; L898-L902 HydrophobicContact CD1-CG 4.42Å; L898-L902 HydrophobicContact CG-CD1 4.34Å; L898-L902 WeakPolarHBondContact O-CG 3.49Å; L898-L902 PolarHBondContact O-N 3.12Å; L898-L980 HydrophobicContact CD2-CD1 4.44Å; L898-L980 HydrophobicContact CD2-CD2 4.12Å; L898-L980 HydrophobicContact CG-CD2 4.28Å
899	R	88.2	Confident	90.3	Very high	15 Å²	15	6.8 Å²	6.8	6%	0.057	3%	0.03	C	C	.	.	H	α-helix	trans	-64.6	-47.3	179.9	-69.1	163.3	177.3	-171.2	-8.6	112.1	S895 L896 F897 F901 L902 F903 L974 K979 L980 Y983	S895-R899 WeakPolarHBondContact O-CD 3.02Å; S895-R899 VanDerWaalsContact O-CG 3.28Å; S895-R899 WeakPolarHBondContact O-CG 3.25Å; S895-R899 PolarHBondContact O-N 3.5Å; L896-R899 PolarHBondContact O-N 3.02Å; F897-R899 PolarHBondContact O-N 2.82Å; R899-F901 VanDerWaalsContact C-N 3.3Å; R899-F901 PolarHBondContact O-N 3.34Å; R899-L902 PolarHBondContact O-N 2.88Å; R899-F903 WeakPolarHBondContact O-CB 3.11Å; R899-F903 PolarHBondContact O-N 3.3Å; R899-L974 PolarHBondContact NE-O 2.86Å; R899-L974 VanDerWaalsContact NH2-C 3.25Å; R899-L974 PolarHBondContact NH2-O 2.74Å; R899-K979 VanDerWaalsContact NH2-CD 3.26Å; R899-L980 HydrophobicContact CG-CD2 3.96Å; R899-Y983 HydrophobicContact CB-CD1 3.94Å; R899-Y983 HydrophobicContact CB-CD2 4.44Å; R899-Y983 HydrophobicContact CB-CE1 4.03Å; R899-Y983 HydrophobicContact CB-CG 4.14Å; R899-Y983 HydrophobicContact CG-CD2 4.39Å; R899-Y983 HydrophobicContact CG-CE2 4.47Å
900	Y	90.3	Very high	90.2	Very high	3 Å²	3	7.7 Å²	7.7	1%	0.012	4%	0.036	C	C	.	.	H	α-helix	trans	-64	-40.6	178.7	-180	-89.2	0	0	0	111.1	L896 F897 F903 K904 V944 V1024 E1027 I1028 L1031	L896-Y900 WeakPolarHBondContact O-CB 3.41Å; L896-Y900 PolarHBondContact O-N 3.05Å; F897-Y900 PolarHBondContact O-N 3.31Å; Y900-F903 PolarHBondContact O-N 3.34Å; Y900-K904 HydrophobicContact CD1-CD 3.94Å; Y900-K904 HydrophobicContact CE1-CB 4.37Å; Y900-K904 HydrophobicContact CE1-CD 3.57Å; Y900-K904 HydrophobicContact CE1-CG 4.48Å; Y900-K904 PolarHBondContact O-N 3.01Å; Y900-V944 HydrophobicContact CD1-CB 4.48Å; Y900-V944 HydrophobicContact CD1-CG1 4.24Å; Y900-V944 HydrophobicContact CD1-CG2 3.37Å; Y900-V944 HydrophobicContact CE1-CB 4.41Å; Y900-V944 HydrophobicContact CE1-CG2 3.01Å; Y900-V1024 HydrophobicContact CE1-CG1 4.12Å; Y900-V1024 HydrophobicContact CE2-CG1 4.43Å; Y900-V1024 WeakPolarHBondContact OH-CG1 3.45Å; Y900-V1024 PolarHBondContact OH-O 3.08Å; Y900-E1027 HydrophobicContact CD2-CG 4.21Å; Y900-E1027 HydrophobicContact CE2-CB 4.13Å; Y900-E1027 HydrophobicContact CE2-CG 4.05Å; Y900-I1028 HydrophobicContact CE2-CB 3.67Å; Y900-I1028 HydrophobicContact CE2-CG1 4.41Å; Y900-I1028 WeakPolarHBondContact OH-CB 3.46Å; Y900-L1031 HydrophobicContact CD2-CD1 3.58Å; Y900-L1031 HydrophobicContact CE2-CD1 4.39Å; Y900-L1031 HydrophobicContact CG-CD1 4.37Å
901	F	88.8	Confident	90.2	Very high	4 Å²	4	7.5 Å²	7.5	2%	0.018	4%	0.035	C	C	.	.	H	α-helix	trans	-60.2	-49.7	177.4	-165.7	-68.9	0	0	0	111	P355 A357 L358 F897 L898 R899 F903 K904 T905	P355-F901 HydrophobicContact CB-CD1 3.85Å; P355-F901 HydrophobicContact CB-CE1 3.11Å; P355-F901 HydrophobicContact CB-CZ 3.79Å; P355-F901 HydrophobicContact CG-CE1 4.39Å; A357-F901 HydrophobicContact CB-CE2 4.28Å; A357-F901 HydrophobicContact CB-CZ 4.16Å; L358-F901 HydrophobicContact CB-CD1 3.91Å; L358-F901 HydrophobicContact CB-CD2 4.13Å; L358-F901 HydrophobicContact CB-CE1 3.7Å; L358-F901 HydrophobicContact CB-CE2 3.84Å; L358-F901 HydrophobicContact CB-CG 4.16Å; L358-F901 HydrophobicContact CB-CZ 3.63Å; L358-F901 HydrophobicContact CD1-CB 4.18Å; L358-F901 HydrophobicContact CD1-CD1 4.2Å; L358-F901 HydrophobicContact CD1-CD2 3.95Å; L358-F901 HydrophobicContact CD1-CE2 4.47Å; L358-F901 HydrophobicContact CD1-CG 3.8Å; L358-F901 HydrophobicContact CD2-CD1 3.8Å; L358-F901 HydrophobicContact CD2-CE1 4.28Å; L358-F901 HydrophobicContact CD2-CG 4.21Å; L358-F901 HydrophobicContact CG-CD1 4.22Å; L358-F901 HydrophobicContact CG-CE1 4.49Å; L358-F901 HydrophobicContact CG-CG 4.31Å; F897-F901 HydrophobicContact CE2-CB 4.48Å; F897-F901 AromaticContact CE2-CD2 3.92Å; F897-F901 HydrophobicContact CE2-CD2 3.92Å; F897-F901 AromaticContact CZ-CD2 3.95Å; F897-F901 HydrophobicContact CZ-CD2 3.95Å; F897-F901 VanDerWaalsContact O-CB 3.25Å; F897-F901 WeakPolarHBondContact O-CB 3.46Å; F897-F901 PolarHBondContact O-N 3.47Å; L898-F901 PolarHBondContact O-N 3.4Å; R899-F901 VanDerWaalsContact C-N 3.3Å; R899-F901 PolarHBondContact O-N 3.34Å; F901-F903 VanDerWaalsContact C-N 3.31Å; F901-F903 PolarHBondContact O-N 3.06Å; F901-K904 WeakPolarHBondContact O-CG 3.4Å; F901-K904 PolarHBondContact O-N 3.14Å; F901-T905 HydrophobicContact CD1-CG2 3.95Å; F901-T905 HydrophobicContact CE1-CG2 3.28Å; F901-T905 HydrophobicContact CZ-CG2 3.77Å; F901-T905 PolarHBondContact O-N 3.05Å; F901-T905 VanDerWaalsContact O-N 3.14Å; F901-T905 PolarHBondContact O-OG1 3.39Å
902	L	87.1	Confident	90.2	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.005	3%	0.034	C	C	.	.	H	α-helix	trans	-61.7	-40.8	178	-70.5	173.8	0	0	0	112	V293 I297 L898 R899 C906 L980 L984	V293-L902 HydrophobicContact CG1-CD1 4.11Å; V293-L902 HydrophobicContact CG1-CD2 4.29Å; I297-L902 HydrophobicContact CD1-CD2 3.85Å; L898-L902 HydrophobicContact CD1-CD1 4.34Å; L898-L902 HydrophobicContact CD1-CG 4.42Å; L898-L902 HydrophobicContact CG-CD1 4.34Å; L898-L902 WeakPolarHBondContact O-CG 3.49Å; L898-L902 PolarHBondContact O-N 3.12Å; R899-L902 PolarHBondContact O-N 2.88Å; L902-C906 VanDerWaalsContact O-CB 3.22Å; L902-C906 WeakPolarHBondContact O-CB 3.16Å; L902-C906 PolarHBondContact O-N 3.08Å; L902-C906 VanDerWaalsContact O-N 3.11Å; L902-C906 PolarHBondContact O-SG 3.49Å; L902-C906 VanDerWaalsContact O-SG 3.38Å; L902-L980 HydrophobicContact CD1-CD2 4Å; L902-L984 HydrophobicContact CB-CD2 4.46Å
903	F	90.1	Very high	90.3	Very high	1 Å²	1	6.6 Å²	6.6	0%	0.004	3%	0.033	C	C	.	.	H	α-helix	trans	-58.2	-54	176.1	166.1	-106.6	0	0	0	111.9	R899 Y900 F901 T905 G907 Y983 Y986 A987 M990 V1024 E1027	R899-F903 WeakPolarHBondContact O-CB 3.11Å; R899-F903 PolarHBondContact O-N 3.3Å; Y900-F903 PolarHBondContact O-N 3.34Å; F901-F903 VanDerWaalsContact C-N 3.31Å; F901-F903 PolarHBondContact O-N 3.06Å; F903-T905 PolarHBondContact O-N 3.47Å; F903-G907 PolarHBondContact O-N 3.5Å; F903-Y983 HydrophobicContact CB-CD1 4.37Å; F903-Y986 AromaticContact CD2-CD1 3.31Å; F903-Y986 HydrophobicContact CD2-CD1 3.31Å; F903-Y986 AromaticContact CD2-CE1 3.63Å; F903-Y986 HydrophobicContact CD2-CE1 3.63Å; F903-Y986 AromaticContact CD2-CG 3.96Å; F903-Y986 HydrophobicContact CD2-CG 3.96Å; F903-Y986 HydrophobicContact CE1-CE1 4.2Å; F903-Y986 AromaticContact CE2-CD1 3.25Å; F903-Y986 HydrophobicContact CE2-CD1 3.25Å; F903-Y986 HydrophobicContact CE2-CD2 4.17Å; F903-Y986 AromaticContact CE2-CE1 3.17Å; F903-Y986 HydrophobicContact CE2-CE1 3.17Å; F903-Y986 HydrophobicContact CE2-CE2 4.08Å; F903-Y986 AromaticContact CE2-CG 3.77Å; F903-Y986 HydrophobicContact CE2-CG 3.77Å; F903-Y986 AromaticContact CE2-CZ 3.61Å; F903-Y986 HydrophobicContact CG-CD1 4.16Å; F903-Y986 HydrophobicContact CG-CE1 4.31Å; F903-Y986 HydrophobicContact CZ-CD1 4.06Å; F903-Y986 AromaticContact CZ-CE1 3.49Å; F903-Y986 HydrophobicContact CZ-CE1 3.49Å; F903-Y986 VanDerWaalsContact CZ-CE1 3.49Å; F903-Y986 AromaticContact CZ-CZ 3.75Å; F903-A987 HydrophobicContact CD2-CB 4.23Å; F903-M990 HydrophobicContact CE2-CB 3.78Å; F903-M990 HydrophobicContact CE2-CG 4.03Å; F903-M990 HydrophobicContact CZ-CB 4.14Å; F903-M990 HydrophobicContact CZ-CG 3.89Å; F903-M990 HydrophobicContact CZ-SD 4.44Å; F903-V1024 HydrophobicContact CE1-CG2 4.44Å; F903-E1027 HydrophobicContact CD1-CG 4.19Å; F903-E1027 HydrophobicContact CE1-CB 4.09Å; F903-E1027 HydrophobicContact CE1-CG 3.77Å; F903-E1027 HydrophobicContact CZ-CG 4.46Å
904	K	89.9	Confident	90.3	Very high	1 Å²	1	8.9 Å²	8.9	0%	0.004	4%	0.042	C	C	.	.	H	α-helix	trans	-67.8	-37.1	-173.6	83.2	-170.8	-178.8	74	0	113.2	Y900 F901 F908 Y935 T940 V1024	Y900-K904 HydrophobicContact CD1-CD 3.94Å; Y900-K904 HydrophobicContact CE1-CB 4.37Å; Y900-K904 HydrophobicContact CE1-CD 3.57Å; Y900-K904 HydrophobicContact CE1-CG 4.48Å; Y900-K904 PolarHBondContact O-N 3.01Å; F901-K904 WeakPolarHBondContact O-CG 3.4Å; F901-K904 PolarHBondContact O-N 3.14Å; K904-F908 WeakPolarHBondContact O-CB 3.38Å; K904-F908 PolarHBondContact O-N 2.93Å; K904-Y935 PolarHBondContact O-OH 2.88Å; K904-T940 PolarHBondContact NZ-OG1 3.04Å; K904-V1024 HydrophobicContact CB-CG1 3.93Å; K904-V1024 HydrophobicContact CB-CG2 4.08Å
905	T	88.3	Confident	90.4	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.006	5%	0.045	C	C	.	.	H	α-helix	trans	-83.2	-41.5	-175.4	55.2	0	0	0	0	112.3	F901 F903 A909 T936	F901-T905 HydrophobicContact CD1-CG2 3.95Å; F901-T905 HydrophobicContact CE1-CG2 3.28Å; F901-T905 HydrophobicContact CZ-CG2 3.77Å; F901-T905 PolarHBondContact O-N 3.05Å; F901-T905 VanDerWaalsContact O-N 3.14Å; F901-T905 PolarHBondContact O-OG1 3.39Å; F903-T905 PolarHBondContact O-N 3.47Å; T905-A909 WeakPolarHBondContact O-CB 3.35Å; T905-A909 PolarHBondContact O-N 3.28Å; T905-T936 HydrophobicContact CG2-CG2 4.22Å
906	C	89.6	Confident	90.4	Very high	9 Å²	9	9.5 Å²	9.5	6%	0.061	4%	0.044	C	C	.	.	H	α-helix	trans	-66.7	-43.7	174.6	-65.8	0	0	0	0	110.7	L902 F908 A909 L910 L984 A987	L902-C906 VanDerWaalsContact O-CB 3.22Å; L902-C906 WeakPolarHBondContact O-CB 3.16Å; L902-C906 PolarHBondContact O-N 3.08Å; L902-C906 VanDerWaalsContact O-N 3.11Å; L902-C906 PolarHBondContact O-SG 3.49Å; L902-C906 VanDerWaalsContact O-SG 3.38Å; C906-F908 VanDerWaalsContact C-N 3.34Å; C906-F908 PolarHBondContact O-N 3.22Å; C906-A909 PolarHBondContact O-N 3.2Å; C906-L910 WeakPolarHBondContact O-CB 3.16Å; C906-L910 WeakPolarHBondContact O-CG 3.24Å; C906-L910 PolarHBondContact O-N 3.17Å; C906-L984 HydrophobicContact CB-CD2 4.3Å; C906-A987 HydrophobicContact CB-CB 3.9Å
907	G	90.8	Very high	90.4	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.3	-44.6	180	0	0	0	0	0	112.2	F903 A987 S991	F903-G907 PolarHBondContact O-N 3.5Å; G907-A987 WeakPolarHBondContact CA-O 3.18Å; G907-S991 WeakPolarHBondContact O-CB 3.42Å
908	F	90.3	Very high	90.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.1	-47.5	174.1	166	-101.8	0	0	0	113.2	P352 K904 C906 Y927 F931 I932 Y935	P352-F908 HydrophobicContact CB-CE1 4.02Å; K904-F908 WeakPolarHBondContact O-CB 3.38Å; K904-F908 PolarHBondContact O-N 2.93Å; C906-F908 VanDerWaalsContact C-N 3.34Å; C906-F908 PolarHBondContact O-N 3.22Å; F908-Y927 HydrophobicContact CD2-CD2 4.1Å; F908-Y927 HydrophobicContact CD2-CE1 4.45Å; F908-Y927 AromaticContact CD2-CE2 3.53Å; F908-Y927 HydrophobicContact CD2-CE2 3.53Å; F908-Y927 AromaticContact CD2-CZ 3.73Å; F908-Y927 HydrophobicContact CE2-CD1 4.25Å; F908-Y927 AromaticContact CE2-CD2 3.32Å; F908-Y927 HydrophobicContact CE2-CD2 3.32Å; F908-Y927 HydrophobicContact CE2-CE1 4.18Å; F908-Y927 AromaticContact CE2-CE2 3.25Å; F908-Y927 HydrophobicContact CE2-CE2 3.25Å; F908-Y927 AromaticContact CE2-CG 3.84Å; F908-Y927 HydrophobicContact CE2-CG 3.84Å; F908-Y927 AromaticContact CE2-CZ 3.71Å; F908-Y927 HydrophobicContact CG-CE2 4.47Å; F908-Y927 AromaticContact CZ-CD2 3.79Å; F908-Y927 HydrophobicContact CZ-CD2 3.79Å; F908-Y927 HydrophobicContact CZ-CE2 4.03Å; F908-Y927 HydrophobicContact CZ-CG 4.41Å; F908-F931 HydrophobicContact CD2-CE1 4.3Å; F908-F931 HydrophobicContact CE2-CD1 4.02Å; F908-F931 AromaticContact CE2-CE1 3.71Å; F908-F931 HydrophobicContact CE2-CE1 3.71Å; F908-I932 HydrophobicContact CE1-CG2 4.21Å; F908-I932 HydrophobicContact CZ-CB 4.2Å; F908-I932 HydrophobicContact CZ-CG1 4.02Å; F908-I932 HydrophobicContact CZ-CG2 4.11Å; F908-Y935 HydrophobicContact CB-CD1 4.29Å; F908-Y935 HydrophobicContact CB-CE1 3.54Å; F908-Y935 HydrophobicContact CD1-CD1 4.03Å; F908-Y935 HydrophobicContact CD1-CE1 4.11Å; F908-Y935 AromaticContact CD2-CD1 3.92Å; F908-Y935 HydrophobicContact CD2-CD1 3.92Å; F908-Y935 AromaticContact CD2-CE1 3.88Å; F908-Y935 HydrophobicContact CD2-CE1 3.88Å; F908-Y935 HydrophobicContact CD2-CG 4.3Å; F908-Y935 HydrophobicContact CE1-CD1 4.36Å; F908-Y935 HydrophobicContact CE2-CD1 4.26Å; F908-Y935 HydrophobicContact CE2-CG 4.37Å; F908-Y935 AromaticContact CG-CD1 3.8Å; F908-Y935 HydrophobicContact CG-CD1 3.8Å; F908-Y935 AromaticContact CG-CE1 3.56Å; F908-Y935 HydrophobicContact CG-CE1 3.56Å; F908-Y935 HydrophobicContact CZ-CD1 4.46Å
909	A	90	Very high	90.1	Very high	1 Å²	1	19 Å²	19	1%	0.008	9%	0.094	C	C	.	.	H	α-helix	trans	-69.9	-38.8	-175.3	0	0	0	0	0	112.8	L350 A353 T905 C906 V911 H912	L350-A909 WeakPolarHBondContact CD2-O 3.45Å; A353-A909 HydrophobicContact CB-CB 3.56Å; T905-A909 WeakPolarHBondContact O-CB 3.35Å; T905-A909 PolarHBondContact O-N 3.28Å; C906-A909 PolarHBondContact O-N 3.2Å; A909-V911 PolarHBondContact O-N 3.09Å; A909-H912 WeakPolarHBondContact O-CB 3.29Å; A909-H912 PolarHBondContact O-N 3.21Å; A909-H912 PolarHBondContact O-ND1 2.98Å; A909-H912 VanDerWaalsContact O-ND1 3.1Å
910	L	92.1	Very high	90	Very high	40 Å²	40	19 Å²	19	21%	0.209	10%	0.099	C	C	.	.	H	α-helix	trans	-63.2	-22.8	-177.8	-73	172	0	0	0	113.5	C906 H912 I913 V988 S991	C906-L910 WeakPolarHBondContact O-CB 3.16Å; C906-L910 WeakPolarHBondContact O-CG 3.24Å; C906-L910 PolarHBondContact O-N 3.17Å; L910-H912 PolarHBondContact O-N 3.17Å; L910-I913 HydrophobicContact CD2-CD1 3.55Å; L910-I913 WeakPolarHBondContact O-CB 3.45Å; L910-I913 PolarHBondContact O-N 3.23Å; L910-V988 HydrophobicContact CD1-CB 4.35Å; L910-V988 HydrophobicContact CD1-CG2 3.71Å; L910-S991 WeakPolarHBondContact CB-OG 3.2Å
911	V	93.9	Very high	89.9	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-55.9	-33.8	174.8	173	0	0	0	0	112	A909 I913 W914 F915 L926 Y927 L994 F995 V1016	A909-V911 PolarHBondContact O-N 3.09Å; V911-I913 VanDerWaalsContact C-N 3.27Å; V911-I913 PolarHBondContact O-N 3.41Å; V911-W914 PolarHBondContact O-N 2.86Å; V911-F915 PolarHBondContact O-N 3.47Å; V911-L926 HydrophobicContact CG1-CD2 3.35Å; V911-Y927 HydrophobicContact CB-CE2 4.25Å; V911-Y927 HydrophobicContact CG1-CE2 4.27Å; V911-L994 HydrophobicContact CG2-CB 3.98Å; V911-L994 HydrophobicContact CG2-CD1 4.11Å; V911-F995 HydrophobicContact CG1-CB 4.28Å; V911-F995 HydrophobicContact CG1-CD2 4.12Å; V911-V1016 HydrophobicContact CG1-CG1 4.36Å
912	H	92.4	Very high	89.7	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-65.4	-29.5	176.9	-62.9	96.5	0	0	0	113.3	L349 L350 A909 L910 G916 Y927	L349-H912 HydrophobicContact CD2-CB 3.92Å; L349-H912 HydrophobicContact CG-CB 4.11Å; L350-H912 HydrophobicContact CD2-CB 4.14Å; A909-H912 WeakPolarHBondContact O-CB 3.29Å; A909-H912 PolarHBondContact O-N 3.21Å; A909-H912 PolarHBondContact O-ND1 2.98Å; A909-H912 VanDerWaalsContact O-ND1 3.1Å; L910-H912 PolarHBondContact O-N 3.17Å; H912-G916 PolarHBondContact O-N 3.41Å; H912-Y927 AromaticContact CE1-CD2 3.45Å; H912-Y927 VanDerWaalsContact CE1-CD2 3.45Å; H912-Y927 WeakPolarHBondContact CE1-CD2 3.23Å; H912-Y927 AromaticContact CE1-CE2 3.77Å; H912-Y927 AromaticContact NE2-CD2 3.53Å
913	I	92.5	Very high	89.8	Confident	26 Å²	26	24.1 Å²	24.1	13%	0.133	13%	0.131	C	C	.	.	H	α-helix	trans	-66.7	-45.8	176.5	-58.4	-175.5	0	0	0	109.5	A304 L308 L350 L910 V911 G916 I917	A304-I913 HydrophobicContact CB-CD1 3.95Å; L308-I913 HydrophobicContact CD1-CG1 4.31Å; L308-I913 HydrophobicContact CD1-CG2 4.28Å; L308-I913 HydrophobicContact CD2-CG2 4.31Å; L350-I913 HydrophobicContact CD1-CD1 4.24Å; L350-I913 HydrophobicContact CD1-CG1 4.14Å; L350-I913 HydrophobicContact CD2-CD1 4.31Å; L350-I913 HydrophobicContact CD2-CG1 3.78Å; L910-I913 HydrophobicContact CD2-CD1 3.55Å; L910-I913 WeakPolarHBondContact O-CB 3.45Å; L910-I913 PolarHBondContact O-N 3.23Å; V911-I913 VanDerWaalsContact C-N 3.27Å; V911-I913 PolarHBondContact O-N 3.41Å; I913-G916 PolarHBondContact O-N 3.16Å; I913-I917 PolarHBondContact O-N 3.33Å
914	W	92.5	Very high	89.8	Confident	57 Å²	57	28.3 Å²	28.3	22%	0.216	15%	0.15	C	C	.	.	H	α-helix	trans	-67.1	-39.8	179.4	-50.5	130.4	0	0	0	111.8	V911 G916 I917 V988 S991 L992 F995 F996	V911-W914 PolarHBondContact O-N 2.86Å; W914-G916 VanDerWaalsContact C-N 3.32Å; W914-G916 PolarHBondContact O-N 3.24Å; W914-I917 HydrophobicContact CE3-CD1 3.98Å; W914-I917 HydrophobicContact CZ3-CD1 4.36Å; W914-I917 PolarHBondContact O-N 3.09Å; W914-V988 HydrophobicContact CZ2-CG1 4.43Å; W914-S991 PolarHBondContact NE1-OG 2.76Å; W914-L992 HydrophobicContact CD2-CD2 3.78Å; W914-L992 HydrophobicContact CE3-CD2 4.19Å; W914-L992 HydrophobicContact CG-CD2 4.35Å; W914-L992 HydrophobicContact CH2-CD2 3.96Å; W914-L992 HydrophobicContact CZ2-CD2 3.5Å; W914-L992 HydrophobicContact CZ2-CG 3.96Å; W914-L992 HydrophobicContact CZ3-CD2 4.28Å; W914-F995 HydrophobicContact CB-CB 4.17Å; W914-F995 HydrophobicContact CB-CD1 3.43Å; W914-F995 VanDerWaalsContact CB-CD1 3.43Å; W914-F995 HydrophobicContact CB-CE1 3.89Å; W914-F995 HydrophobicContact CB-CG 3.77Å; W914-F995 HydrophobicContact CG-CD1 4.48Å; W914-F996 HydrophobicContact CB-CE2 4.45Å; W914-F996 HydrophobicContact CG-CE2 4.43Å
915	F	92.4	Very high	89.8	Confident	16 Å²	16	29 Å²	29	7%	0.07	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-37.8	173.1	-175.9	-125.1	0	0	0	112.8	V911 I917 L918 N919 Q924 L926 F995 M1012	V911-F915 PolarHBondContact O-N 3.47Å; F915-I917 PolarHBondContact O-N 3.04Å; F915-L918 PolarHBondContact O-N 3.01Å; F915-N919 VanDerWaalsContact CD1-ND2 3.29Å; F915-N919 WeakPolarHBondContact CD1-ND2 3.37Å; F915-N919 HydrophobicContact CE1-CB 4.31Å; F915-N919 WeakPolarHBondContact CE1-ND2 3.41Å; F915-N919 HydrophobicContact CE2-CB 4.3Å; F915-N919 HydrophobicContact CZ-CB 4.11Å; F915-N919 PolarHBondContact O-N 3.22Å; F915-N919 VanDerWaalsContact O-N 3.09Å; F915-Q924 WeakPolarHBondContact CD1-O 3.28Å; F915-Q924 HydrophobicContact CE1-CB 4.18Å; F915-Q924 HydrophobicContact CE1-CG 4.27Å; F915-Q924 WeakPolarHBondContact CE1-O 3.46Å; F915-L926 HydrophobicContact CB-CB 4.31Å; F915-L926 HydrophobicContact CD1-CB 3.8Å; F915-L926 HydrophobicContact CD1-CD1 4.41Å; F915-L926 HydrophobicContact CD2-CD1 3.93Å; F915-L926 HydrophobicContact CE1-CB 4.25Å; F915-L926 HydrophobicContact CE1-CD1 4.46Å; F915-L926 HydrophobicContact CE2-CD1 3.99Å; F915-L926 HydrophobicContact CG-CB 4.01Å; F915-L926 HydrophobicContact CG-CD1 4.14Å; F915-L926 HydrophobicContact CZ-CD1 4.26Å; F915-F995 VanDerWaalsContact CA-CZ 3.47Å; F915-F995 HydrophobicContact CB-CD2 4.34Å; F915-F995 HydrophobicContact CB-CE2 3.64Å; F915-F995 HydrophobicContact CB-CZ 4.06Å; F915-F995 AromaticContact CD2-CE2 3.77Å; F915-F995 HydrophobicContact CD2-CE2 3.77Å; F915-F995 HydrophobicContact CD2-CZ 4.08Å; F915-F995 HydrophobicContact CG-CE2 4.15Å; F915-M1012 HydrophobicContact CE2-CE 4.45Å
916	G	90.3	Very high	89.9	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-54.8	-34.3	176	0	0	0	0	0	113.9	H912 I913 W914 L918 N919 F921	H912-G916 PolarHBondContact O-N 3.41Å; I913-G916 PolarHBondContact O-N 3.16Å; W914-G916 VanDerWaalsContact C-N 3.32Å; W914-G916 PolarHBondContact O-N 3.24Å; G916-L918 VanDerWaalsContact C-N 3.32Å; G916-L918 PolarHBondContact O-N 3.43Å; G916-N919 VanDerWaalsContact CA-OD1 3.29Å; G916-N919 WeakPolarHBondContact CA-OD1 3.4Å; G916-N919 PolarHBondContact O-OD1 2.74Å; G916-F921 VanDerWaalsContact O-CA 3.24Å; G916-F921 WeakPolarHBondContact O-CA 3.24Å; G916-F921 WeakPolarHBondContact O-CD1 3.43Å; G916-F921 PolarHBondContact O-N 3.42Å
917	I	89.6	Confident	89.9	Confident	88 Å²	88	28.7 Å²	28.7	45%	0.451	15%	0.153	S	C	.	.	H	α-helix	trans	-68.7	-32.3	179.1	-60.8	170.6	0	0	0	111.4	I913 W914 F915 F921	I913-I917 PolarHBondContact O-N 3.33Å; W914-I917 HydrophobicContact CE3-CD1 3.98Å; W914-I917 HydrophobicContact CZ3-CD1 4.36Å; W914-I917 PolarHBondContact O-N 3.09Å; F915-I917 PolarHBondContact O-N 3.04Å; I917-F921 HydrophobicContact CG1-CE1 4.09Å; I917-F921 HydrophobicContact CG1-CZ 4.49Å
918	L	87	Confident	89.9	Confident	104 Å²	104	29.3 Å²	29.3	55%	0.545	16%	0.156	S	C	.	.	H	α-helix	trans	-91.6	-21.9	-177.6	-60.7	-171.2	0	0	0	113.7	F915 G916 F995 C999	F915-L918 PolarHBondContact O-N 3.01Å; G916-L918 VanDerWaalsContact C-N 3.32Å; G916-L918 PolarHBondContact O-N 3.43Å; L918-F995 HydrophobicContact CD1-CE1 3.7Å; L918-F995 HydrophobicContact CD1-CZ 3.6Å; L918-F995 HydrophobicContact CG-CE1 4.23Å; L918-F995 HydrophobicContact CG-CZ 4.17Å; L918-C999 VanDerWaalsContact CD1-SG 3.58Å
919	N	86.5	Confident	89.7	Confident	32 Å²	32	29.9 Å²	29.9	17%	0.171	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	19.9	-175.6	74.2	10.3	0	0	0	114.4	F915 G916 F921 S922	F915-N919 VanDerWaalsContact CD1-ND2 3.29Å; F915-N919 WeakPolarHBondContact CD1-ND2 3.37Å; F915-N919 HydrophobicContact CE1-CB 4.31Å; F915-N919 WeakPolarHBondContact CE1-ND2 3.41Å; F915-N919 HydrophobicContact CE2-CB 4.3Å; F915-N919 HydrophobicContact CZ-CB 4.11Å; F915-N919 PolarHBondContact O-N 3.22Å; F915-N919 VanDerWaalsContact O-N 3.09Å; G916-N919 VanDerWaalsContact CA-OD1 3.29Å; G916-N919 WeakPolarHBondContact CA-OD1 3.4Å; G916-N919 PolarHBondContact O-OD1 2.74Å; N919-F921 VanDerWaalsContact C-N 3.28Å; N919-F921 PolarHBondContact O-N 2.96Å; N919-F921 PolarHBondContact OD1-N 3.47Å; N919-F921 VanDerWaalsContact OD1-N 3.16Å; N919-S922 PolarHBondContact O-OG 2.86Å; N919-S922 PolarHBondContact OD1-N 2.97Å
920	G	85	Confident	89.5	Confident	15 Å²	15	32.7 Å²	32.7	16%	0.155	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	24.2	-177.7	0	0	0	0	0	113.7	F315 S922	F315-G920 WeakPolarHBondContact CD1-O 3.47Å; G920-S922 PolarHBondContact O-N 3.4Å
921	F	89	Confident	89.4	Confident	42 Å²	42	30.9 Å²	30.9	18%	0.184	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	25.9	-178	-52.6	-86.2	0	0	0	114.9	L308 A312 F315 V342 Y346 G916 I917 N919 A923	L308-F921 HydrophobicContact CB-CD1 4.41Å; L308-F921 HydrophobicContact CD2-CD1 3.69Å; L308-F921 HydrophobicContact CD2-CE1 3.83Å; A312-F921 HydrophobicContact CB-CB 3.64Å; F315-F921 HydrophobicContact CB-CD2 4.34Å; V342-F921 WeakPolarHBondContact CG1-O 3.44Å; Y346-F921 VanDerWaalsContact CE2-O 3.28Å; Y346-F921 WeakPolarHBondContact CE2-O 3.37Å; Y346-F921 VanDerWaalsContact OH-CA 3.22Å; Y346-F921 WeakPolarHBondContact OH-CA 3.31Å; Y346-F921 PolarHBondContact OH-O 3.23Å; Y346-F921 VanDerWaalsContact OH-O 3.08Å; G916-F921 VanDerWaalsContact O-CA 3.24Å; G916-F921 WeakPolarHBondContact O-CA 3.24Å; G916-F921 WeakPolarHBondContact O-CD1 3.43Å; G916-F921 PolarHBondContact O-N 3.42Å; I917-F921 HydrophobicContact CG1-CE1 4.09Å; I917-F921 HydrophobicContact CG1-CZ 4.49Å; N919-F921 VanDerWaalsContact C-N 3.28Å; N919-F921 PolarHBondContact O-N 2.96Å; N919-F921 PolarHBondContact OD1-N 3.47Å; N919-F921 VanDerWaalsContact OD1-N 3.16Å; F921-A923 PolarHBondContact O-N 3.14Å; F921-A923 VanDerWaalsContact O-N 3.09Å
922	S	85.6	Confident	89	Confident	66 Å²	66	31.2 Å²	31.2	46%	0.462	16%	0.162	S	C	.	.			trans	-71.3	-0.6	-174.6	54.8	0	0	0	0	116	N919 G920 Q924	N919-S922 PolarHBondContact O-OG 2.86Å; N919-S922 PolarHBondContact OD1-N 2.97Å; G920-S922 PolarHBondContact O-N 3.4Å; S922-Q924 PolarHBondContact O-N 2.66Å
923	A	88.3	Confident	88.6	Confident	7 Å²	7	32 Å²	32	6%	0.058	17%	0.168	C	C	.	.			trans	59	24.2	-174.6	0	0	0	0	0	114.7	Y346 F921	Y346-A923 HydrophobicContact CD1-CB 4.1Å; Y346-A923 HydrophobicContact CD2-CB 3.96Å; Y346-A923 HydrophobicContact CE1-CB 3.95Å; Y346-A923 HydrophobicContact CE2-CB 3.81Å; Y346-A923 HydrophobicContact CG-CB 4.09Å; Y346-A923 PolarHBondContact OH-N 3.48Å; F921-A923 PolarHBondContact O-N 3.14Å; F921-A923 VanDerWaalsContact O-N 3.09Å
924	Q	89.2	Confident	88.2	Confident	88 Å²	88	32.2 Å²	32.2	41%	0.411	17%	0.17	S	C	.	.			trans	-66.7	134.9	170.3	-173.1	178.8	1.3	0	0	110.9	F915 S922	F915-Q924 WeakPolarHBondContact CD1-O 3.28Å; F915-Q924 HydrophobicContact CE1-CB 4.18Å; F915-Q924 HydrophobicContact CE1-CG 4.27Å; F915-Q924 WeakPolarHBondContact CE1-O 3.46Å; S922-Q924 PolarHBondContact O-N 2.66Å
925	S	89.8	Confident	88	Confident	17 Å²	17	29.5 Å²	29.5	12%	0.119	16%	0.159	C	C	.	.			trans	-71.9	137	174.2	67.3	0	0	0	0	111.1	Y927	S925-Y927 PolarHBondContact OG-O 3.16Å; S925-Y927 VanDerWaalsContact OG-O 3.11Å
926	L	91.1	Very high	87.4	Confident	1 Å²	1	30 Å²	30	1%	0.005	16%	0.164	C	C	.	.	S	Bend	trans	-74.8	-45.6	172	179.2	66.8	0	0	0	110.2	V911 F915 F995 M1012 A1013 V1016	V911-L926 HydrophobicContact CG1-CD2 3.35Å; F915-L926 HydrophobicContact CB-CB 4.31Å; F915-L926 HydrophobicContact CD1-CB 3.8Å; F915-L926 HydrophobicContact CD1-CD1 4.41Å; F915-L926 HydrophobicContact CD2-CD1 3.93Å; F915-L926 HydrophobicContact CE1-CB 4.25Å; F915-L926 HydrophobicContact CE1-CD1 4.46Å; F915-L926 HydrophobicContact CE2-CD1 3.99Å; F915-L926 HydrophobicContact CG-CB 4.01Å; F915-L926 HydrophobicContact CG-CD1 4.14Å; F915-L926 HydrophobicContact CZ-CD1 4.26Å; L926-F995 HydrophobicContact CD2-CD2 4.05Å; L926-F995 HydrophobicContact CD2-CE2 4.34Å; L926-M1012 HydrophobicContact CD1-CE 3.83Å; L926-A1013 WeakPolarHBondContact O-CB 3.3Å; L926-V1016 HydrophobicContact CD2-CB 4.36Å; L926-V1016 HydrophobicContact CD2-CG1 4.03Å; L926-V1016 HydrophobicContact CD2-CG2 4.31Å
927	Y	90.8	Very high	86.8	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.008	18%	0.179	C	C	.	.	S	Bend	trans	-79.1	155.9	-179	-58.9	-71.3	0	0	0	111.9	F908 V911 H912 S925 F931 V1016	F908-Y927 HydrophobicContact CD2-CD2 4.1Å; F908-Y927 HydrophobicContact CD2-CE1 4.45Å; F908-Y927 AromaticContact CD2-CE2 3.53Å; F908-Y927 HydrophobicContact CD2-CE2 3.53Å; F908-Y927 AromaticContact CD2-CZ 3.73Å; F908-Y927 HydrophobicContact CE2-CD1 4.25Å; F908-Y927 AromaticContact CE2-CD2 3.32Å; F908-Y927 HydrophobicContact CE2-CD2 3.32Å; F908-Y927 HydrophobicContact CE2-CE1 4.18Å; F908-Y927 AromaticContact CE2-CE2 3.25Å; F908-Y927 HydrophobicContact CE2-CE2 3.25Å; F908-Y927 AromaticContact CE2-CG 3.84Å; F908-Y927 HydrophobicContact CE2-CG 3.84Å; F908-Y927 AromaticContact CE2-CZ 3.71Å; F908-Y927 HydrophobicContact CG-CE2 4.47Å; F908-Y927 AromaticContact CZ-CD2 3.79Å; F908-Y927 HydrophobicContact CZ-CD2 3.79Å; F908-Y927 HydrophobicContact CZ-CE2 4.03Å; F908-Y927 HydrophobicContact CZ-CG 4.41Å; V911-Y927 HydrophobicContact CB-CE2 4.25Å; V911-Y927 HydrophobicContact CG1-CE2 4.27Å; H912-Y927 AromaticContact CE1-CD2 3.45Å; H912-Y927 VanDerWaalsContact CE1-CD2 3.45Å; H912-Y927 WeakPolarHBondContact CE1-CD2 3.23Å; H912-Y927 AromaticContact CE1-CE2 3.77Å; H912-Y927 AromaticContact NE2-CD2 3.53Å; S925-Y927 PolarHBondContact OG-O 3.16Å; S925-Y927 VanDerWaalsContact OG-O 3.11Å; Y927-F931 AromaticContact CD1-CD1 3.64Å; Y927-F931 HydrophobicContact CD1-CD1 3.64Å; Y927-F931 AromaticContact CD1-CE1 3.69Å; Y927-F931 HydrophobicContact CD1-CE1 3.69Å; Y927-F931 HydrophobicContact CE1-CD1 4.35Å; Y927-F931 AromaticContact CE1-CE1 3.92Å; Y927-F931 HydrophobicContact CE1-CE1 3.92Å; Y927-F931 AromaticContact CG-CD1 3.88Å; Y927-F931 HydrophobicContact CG-CD1 3.88Å; Y927-F931 HydrophobicContact CG-CE1 4.23Å; Y927-V1016 HydrophobicContact CE1-CB 4.42Å; Y927-V1016 HydrophobicContact CE1-CG1 3.82Å
928	E	89.4	Confident	86.3	Confident	13 Å²	13	34 Å²	34	6%	0.061	18%	0.182	C	C	.	.			trans	-61.4	138.2	165	-173.5	-165.6	170.7	0	0	110.5	W930 F931 I932 T1057 H1058 F1072	E928-W930 VanDerWaalsContact C-N 3.32Å; E928-W930 PolarHBondContact O-N 3.01Å; E928-F931 HydrophobicContact CB-CB 4.16Å; E928-F931 WeakPolarHBondContact O-CA 3.33Å; E928-F931 VanDerWaalsContact O-CB 3.32Å; E928-F931 WeakPolarHBondContact O-CB 3.44Å; E928-F931 PolarHBondContact O-N 3.44Å; E928-I932 PolarHBondContact O-N 3.34Å; E928-I932 VanDerWaalsContact O-N 3.15Å; E928-T1057 WeakPolarHBondContact OE1-CB 3.34Å; E928-T1057 PolarHBondContact OE1-OG1 2.9Å; E928-T1057 PolarHBondContact OE2-OG1 3.4Å; E928-H1058 VanDerWaalsContact CD-NE2 3.34Å; E928-H1058 IonicContact OE1-CD2 3.86Å; E928-H1058 IonicContact OE1-NE2 3.35Å; E928-H1058 IonicContact OE2-CD2 3.79Å; E928-H1058 PolarHBondContact OE2-CD2 2.99Å; E928-H1058 IonicContact OE2-CE1 3.89Å; E928-H1058 IonicContact OE2-NE2 2.76Å; E928-H1058 PolarHBondContact OE2-NE2 2.86Å; E928-F1072 HydrophobicContact CB-CD2 4.23Å; E928-F1072 HydrophobicContact CB-CE2 4.03Å; E928-F1072 HydrophobicContact CB-CZ 4.32Å; E928-F1072 HydrophobicContact CG-CD2 4.03Å; E928-F1072 HydrophobicContact CG-CE2 4.28Å; E928-F1072 HydrophobicContact CG-CG 4.47Å
929	T	86.2	Confident	86.3	Confident	12 Å²	12	29.2 Å²	29.2	7%	0.074	16%	0.157	C	C	.	.	H	α-helix	trans	-47.6	-47.7	179.6	-53.4	0	0	0	0	113.5	P86 I89 I932 A933	P86-T929 VanDerWaalsContact CD-CG2 3.48Å; P86-T929 HydrophobicContact CG-CG2 3.7Å; I89-T929 HydrophobicContact CD1-CG2 3.15Å; T929-I932 PolarHBondContact O-N 2.9Å; T929-A933 PolarHBondContact O-N 3.08Å
930	W	86.4	Confident	86.4	Confident	59 Å²	59	27.9 Å²	27.9	22%	0.223	15%	0.15	C	C	.	.	H	α-helix	trans	-72.3	-29.3	177.9	-74.1	103.1	0	0	0	113.6	Y88 E928 I932 A933 L934 T1057 Y1070	Y88-W930 HydrophobicContact CE2-CH2 4.12Å; Y88-W930 AromaticContact CE2-CZ2 3.95Å; Y88-W930 HydrophobicContact CE2-CZ2 3.95Å; E928-W930 VanDerWaalsContact C-N 3.32Å; E928-W930 PolarHBondContact O-N 3.01Å; W930-I932 VanDerWaalsContact C-N 3.34Å; W930-A933 PolarHBondContact O-N 2.69Å; W930-L934 WeakPolarHBondContact O-CB 3.45Å; W930-L934 VanDerWaalsContact O-CG 3.3Å; W930-L934 WeakPolarHBondContact O-CG 3.46Å; W930-L934 PolarHBondContact O-N 3.05Å; W930-T1057 HydrophobicContact CB-CG2 3.88Å; W930-T1057 HydrophobicContact CG-CG2 4.13Å; W930-Y1070 AromaticContact CD1-CD1 3.76Å; W930-Y1070 AromaticContact CD1-CE1 3.32Å; W930-Y1070 AromaticContact CD1-CZ 3.95Å; W930-Y1070 HydrophobicContact CD2-CE1 4.49Å; W930-Y1070 AromaticContact CE2-CE1 3.9Å; W930-Y1070 AromaticContact CE2-CZ 3.76Å; W930-Y1070 HydrophobicContact CG-CE1 4.18Å; W930-Y1070 WeakPolarHBondContact CZ2-OH 3.37Å; W930-Y1070 AromaticContact NE1-CD1 3.8Å; W930-Y1070 AromaticContact NE1-CE1 3.11Å; W930-Y1070 AromaticContact NE1-CE2 4Å; W930-Y1070 AromaticContact NE1-CZ 3.23Å; W930-Y1070 PolarHBondContact NE1-OH 3.36Å
931	F	88.9	Confident	86.4	Confident	3 Å²	3	27.7 Å²	27.7	1%	0.013	15%	0.147	C	C	.	.	H	α-helix	trans	-63.1	-42.3	173.1	-178.2	-97.2	0	0	0	110.8	F908 Y927 E928 A933 L934 Y935 Y939 S1017 F1050	F908-F931 HydrophobicContact CD2-CE1 4.3Å; F908-F931 HydrophobicContact CE2-CD1 4.02Å; F908-F931 AromaticContact CE2-CE1 3.71Å; F908-F931 HydrophobicContact CE2-CE1 3.71Å; Y927-F931 AromaticContact CD1-CD1 3.64Å; Y927-F931 HydrophobicContact CD1-CD1 3.64Å; Y927-F931 AromaticContact CD1-CE1 3.69Å; Y927-F931 HydrophobicContact CD1-CE1 3.69Å; Y927-F931 HydrophobicContact CE1-CD1 4.35Å; Y927-F931 AromaticContact CE1-CE1 3.92Å; Y927-F931 HydrophobicContact CE1-CE1 3.92Å; Y927-F931 AromaticContact CG-CD1 3.88Å; Y927-F931 HydrophobicContact CG-CD1 3.88Å; Y927-F931 HydrophobicContact CG-CE1 4.23Å; E928-F931 HydrophobicContact CB-CB 4.16Å; E928-F931 WeakPolarHBondContact O-CA 3.33Å; E928-F931 VanDerWaalsContact O-CB 3.32Å; E928-F931 WeakPolarHBondContact O-CB 3.44Å; E928-F931 PolarHBondContact O-N 3.44Å; F931-A933 VanDerWaalsContact C-N 3.3Å; F931-A933 PolarHBondContact O-N 3.08Å; F931-L934 PolarHBondContact O-N 2.73Å; F931-Y935 AromaticContact CE1-CD2 3.99Å; F931-Y935 HydrophobicContact CE1-CD2 3.99Å; F931-Y935 HydrophobicContact CE1-CG 4.32Å; F931-Y935 HydrophobicContact CE2-CD2 4.3Å; F931-Y935 AromaticContact CZ-CD2 3.58Å; F931-Y935 HydrophobicContact CZ-CD2 3.58Å; F931-Y935 HydrophobicContact CZ-CE2 4.26Å; F931-Y935 HydrophobicContact CZ-CG 4.3Å; F931-Y935 WeakPolarHBondContact O-CB 3.39Å; F931-Y935 PolarHBondContact O-N 3.2Å; F931-Y939 HydrophobicContact CD2-CD2 4.15Å; F931-Y939 AromaticContact CD2-CE2 3.65Å; F931-Y939 HydrophobicContact CD2-CE2 3.65Å; F931-Y939 AromaticContact CE2-CD2 3.91Å; F931-Y939 HydrophobicContact CE2-CD2 3.91Å; F931-Y939 AromaticContact CE2-CE2 3.86Å; F931-Y939 HydrophobicContact CE2-CE2 3.86Å; F931-S1017 WeakPolarHBondContact CZ-O 3.43Å; F931-F1050 HydrophobicContact CD2-CD2 4.22Å; F931-F1050 AromaticContact CD2-CE2 3.83Å; F931-F1050 HydrophobicContact CD2-CE2 3.83Å; F931-F1050 AromaticContact CE2-CD2 3.79Å; F931-F1050 HydrophobicContact CE2-CD2 3.79Å; F931-F1050 AromaticContact CE2-CE2 3.46Å; F931-F1050 HydrophobicContact CE2-CE2 3.46Å; F931-F1050 VanDerWaalsContact CE2-CE2 3.46Å
932	I	86.9	Confident	86.4	Confident	7 Å²	7	28 Å²	28	4%	0.036	15%	0.152	C	C	.	.	H	α-helix	trans	-56.8	-45.6	176.3	-56.5	173.8	0	0	0	110.9	I85 P352 F908 E928 T929 W930	I85-I932 HydrophobicContact CD1-CD1 4.23Å; P352-I932 HydrophobicContact CB-CG2 4.25Å; P352-I932 HydrophobicContact CG-CG2 3.64Å; F908-I932 HydrophobicContact CE1-CG2 4.21Å; F908-I932 HydrophobicContact CZ-CB 4.2Å; F908-I932 HydrophobicContact CZ-CG1 4.02Å; F908-I932 HydrophobicContact CZ-CG2 4.11Å; E928-I932 PolarHBondContact O-N 3.34Å; E928-I932 VanDerWaalsContact O-N 3.15Å; T929-I932 PolarHBondContact O-N 2.9Å; W930-I932 VanDerWaalsContact C-N 3.34Å
933	A	82.8	Confident	86.6	Confident	16 Å²	16	25.2 Å²	25.2	13%	0.132	13%	0.132	C	C	.	.	H	α-helix	trans	-65.9	-49	179.5	0	0	0	0	0	112.5	I89 T929 W930 F931	I89-A933 HydrophobicContact CG1-CB 4.17Å; I89-A933 HydrophobicContact CG2-CB 3.72Å; T929-A933 PolarHBondContact O-N 3.08Å; W930-A933 PolarHBondContact O-N 2.69Å; F931-A933 VanDerWaalsContact C-N 3.3Å; F931-A933 PolarHBondContact O-N 3.08Å
934	L	85.6	Confident	86.7	Confident	32 Å²	32	25 Å²	25	17%	0.168	13%	0.13	C	C	.	.	H	α-helix	trans	-78.6	-26.1	-172.8	-65	174.6	0	0	0	113.2	W930 F931 T936 V937 F938 Y939 C1053	W930-L934 WeakPolarHBondContact O-CB 3.45Å; W930-L934 VanDerWaalsContact O-CG 3.3Å; W930-L934 WeakPolarHBondContact O-CG 3.46Å; W930-L934 PolarHBondContact O-N 3.05Å; F931-L934 PolarHBondContact O-N 2.73Å; L934-T936 PolarHBondContact O-N 3.34Å; L934-V937 PolarHBondContact O-N 3.46Å; L934-F938 HydrophobicContact CD2-CD2 3.62Å; L934-F938 HydrophobicContact CD2-CE2 4.23Å; L934-F938 HydrophobicContact CD2-CG 4.49Å; L934-F938 PolarHBondContact O-N 3.42Å; L934-Y939 HydrophobicContact CB-CD1 4.48Å; L934-Y939 HydrophobicContact CB-CD2 4.18Å; L934-Y939 HydrophobicContact CB-CE1 3.95Å; L934-Y939 HydrophobicContact CB-CE2 3.59Å; L934-Y939 VanDerWaalsContact CB-CZ 3.47Å; L934-Y939 HydrophobicContact CD1-CE1 4.4Å; L934-Y939 VanDerWaalsContact CD1-OH 3.22Å; L934-Y939 WeakPolarHBondContact CD1-OH 3.41Å; L934-Y939 PolarHBondContact O-N 3.06Å; L934-C1053 HydrophobicContact CD1-CB 4.11Å
935	Y	86.6	Confident	86.8	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.121	C	C	.	.	I	π-helix	trans	-57.6	-46.9	-178.1	177.8	-101.5	0	0	0	112.6	K904 F908 F931 T940 V1024	K904-Y935 PolarHBondContact O-OH 2.88Å; F908-Y935 HydrophobicContact CB-CD1 4.29Å; F908-Y935 HydrophobicContact CB-CE1 3.54Å; F908-Y935 HydrophobicContact CD1-CD1 4.03Å; F908-Y935 HydrophobicContact CD1-CE1 4.11Å; F908-Y935 AromaticContact CD2-CD1 3.92Å; F908-Y935 HydrophobicContact CD2-CD1 3.92Å; F908-Y935 AromaticContact CD2-CE1 3.88Å; F908-Y935 HydrophobicContact CD2-CE1 3.88Å; F908-Y935 HydrophobicContact CD2-CG 4.3Å; F908-Y935 HydrophobicContact CE1-CD1 4.36Å; F908-Y935 HydrophobicContact CE2-CD1 4.26Å; F908-Y935 HydrophobicContact CE2-CG 4.37Å; F908-Y935 AromaticContact CG-CD1 3.8Å; F908-Y935 HydrophobicContact CG-CD1 3.8Å; F908-Y935 AromaticContact CG-CE1 3.56Å; F908-Y935 HydrophobicContact CG-CE1 3.56Å; F908-Y935 HydrophobicContact CZ-CD1 4.46Å; F931-Y935 AromaticContact CE1-CD2 3.99Å; F931-Y935 HydrophobicContact CE1-CD2 3.99Å; F931-Y935 HydrophobicContact CE1-CG 4.32Å; F931-Y935 HydrophobicContact CE2-CD2 4.3Å; F931-Y935 AromaticContact CZ-CD2 3.58Å; F931-Y935 HydrophobicContact CZ-CD2 3.58Å; F931-Y935 HydrophobicContact CZ-CE2 4.26Å; F931-Y935 HydrophobicContact CZ-CG 4.3Å; F931-Y935 WeakPolarHBondContact O-CB 3.39Å; F931-Y935 PolarHBondContact O-N 3.2Å; Y935-T940 HydrophobicContact CD2-CG2 3.95Å; Y935-T940 HydrophobicContact CE1-CG2 4.43Å; Y935-T940 HydrophobicContact CE2-CG2 3.62Å; Y935-T940 HydrophobicContact CG-CG2 4.49Å; Y935-T940 WeakPolarHBondContact O-CB 3.43Å; Y935-T940 PolarHBondContact O-N 3.13Å; Y935-T940 VanDerWaalsContact O-N 3.11Å; Y935-T940 PolarHBondContact O-OG1 3.36Å; Y935-V1024 WeakPolarHBondContact OH-CG2 3.49Å
936	T	80.4	Confident	86.9	Confident	26 Å²	26	23 Å²	23	16%	0.16	12%	0.121	C	C	.	.	I	π-helix	trans	-83.4	-29.1	-176.5	60.6	0	0	0	0	113.7	T905 L934	T905-T936 HydrophobicContact CG2-CG2 4.22Å; L934-T936 PolarHBondContact O-N 3.34Å
937	V	77.3	Confident	86.9	Confident	55 Å²	55	23 Å²	23	33%	0.333	12%	0.121	S	C	.	.	I	π-helix	trans	-93.2	-38.7	-172.9	-179.5	0	0	0	0	112.8	P93 L934 A941	P93-V937 HydrophobicContact CG-CG2 4.42Å; L934-V937 PolarHBondContact O-N 3.46Å; V937-A941 WeakPolarHBondContact O-CB 3.38Å
938	F	80.2	Confident	87	Confident	117 Å²	117	22.9 Å²	22.9	51%	0.513	12%	0.121	S	C	.	.	I	π-helix	trans	-118.6	-57.8	-172.9	-75.4	-76	0	0	0	112.6	L934 T940	L934-F938 HydrophobicContact CD2-CD2 3.62Å; L934-F938 HydrophobicContact CD2-CE2 4.23Å; L934-F938 HydrophobicContact CD2-CG 4.49Å; L934-F938 PolarHBondContact O-N 3.42Å; F938-T940 PolarHBondContact O-N 2.93Å
939	Y	86.9	Confident	87.1	Confident	4 Å²	4	23.4 Å²	23.4	2%	0.016	12%	0.123	C	C	.	.	I	π-helix	trans	-61.3	-46.6	-170.3	-55.8	-28.3	0	0	0	111.8	F931 L934 S1046 F1050 C1053	F931-Y939 HydrophobicContact CD2-CD2 4.15Å; F931-Y939 AromaticContact CD2-CE2 3.65Å; F931-Y939 HydrophobicContact CD2-CE2 3.65Å; F931-Y939 AromaticContact CE2-CD2 3.91Å; F931-Y939 HydrophobicContact CE2-CD2 3.91Å; F931-Y939 AromaticContact CE2-CE2 3.86Å; F931-Y939 HydrophobicContact CE2-CE2 3.86Å; L934-Y939 HydrophobicContact CB-CD1 4.48Å; L934-Y939 HydrophobicContact CB-CD2 4.18Å; L934-Y939 HydrophobicContact CB-CE1 3.95Å; L934-Y939 HydrophobicContact CB-CE2 3.59Å; L934-Y939 VanDerWaalsContact CB-CZ 3.47Å; L934-Y939 HydrophobicContact CD1-CE1 4.4Å; L934-Y939 VanDerWaalsContact CD1-OH 3.22Å; L934-Y939 WeakPolarHBondContact CD1-OH 3.41Å; L934-Y939 PolarHBondContact O-N 3.06Å; Y939-S1046 WeakPolarHBondContact O-CB 3.36Å; Y939-S1046 PolarHBondContact O-OG 2.68Å; Y939-F1050 HydrophobicContact CD1-CB 4.38Å; Y939-F1050 HydrophobicContact CD2-CD2 4.24Å; Y939-F1050 HydrophobicContact CE1-CB 4.46Å; Y939-F1050 HydrophobicContact CE2-CD2 4.03Å; Y939-C1053 HydrophobicContact CE1-CB 3.94Å; Y939-C1053 WeakPolarHBondContact OH-CB 3.48Å
940	T	88.6	Confident	87.4	Confident	4 Å²	4	25.4 Å²	25.4	3%	0.025	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-6.7	-175.8	65.2	0	0	0	0	114.1	K904 Y935 F938 V944 V1024	K904-T940 PolarHBondContact NZ-OG1 3.04Å; Y935-T940 HydrophobicContact CD2-CG2 3.95Å; Y935-T940 HydrophobicContact CE1-CG2 4.43Å; Y935-T940 HydrophobicContact CE2-CG2 3.62Å; Y935-T940 HydrophobicContact CG-CG2 4.49Å; Y935-T940 WeakPolarHBondContact O-CB 3.43Å; Y935-T940 PolarHBondContact O-N 3.13Å; Y935-T940 VanDerWaalsContact O-N 3.11Å; Y935-T940 PolarHBondContact O-OG1 3.36Å; F938-T940 PolarHBondContact O-N 2.93Å; T940-V944 WeakPolarHBondContact O-CG2 3.15Å; T940-V1024 HydrophobicContact CG2-CG1 3.76Å
941	A	85.1	Confident	87.7	Confident	10 Å²	10	22.7 Å²	22.7	8%	0.083	12%	0.121	C	C	.	.	H	α-helix	trans	-78.7	-44.4	-175	0	0	0	0	0	112.8	V937 V944 M945	V937-A941 WeakPolarHBondContact O-CB 3.38Å; A941-V944 PolarHBondContact O-N 3.23Å; A941-M945 HydrophobicContact CB-CE 4.3Å; A941-M945 WeakPolarHBondContact O-CB 3.46Å; A941-M945 WeakPolarHBondContact O-CG 3.49Å; A941-M945 PolarHBondContact O-N 3.46Å
942	V	87.7	Confident	87.7	Confident	50 Å²	50	25 Å²	25	30%	0.303	13%	0.131	S	C	.	.	H	α-helix	trans	-63.6	-49.1	-173.1	-174.7	0	0	0	0	112.4	V944 M945 C946 A1042	V942-V944 VanDerWaalsContact C-N 3.27Å; V942-V944 PolarHBondContact O-N 2.97Å; V942-M945 HydrophobicContact CG2-CE 4.24Å; V942-M945 PolarHBondContact O-N 3.33Å; V942-C946 PolarHBondContact O-N 3.08Å; V942-C946 PolarHBondContact O-SG 3.26Å; V942-A1042 HydrophobicContact CG1-CB 3.93Å
943	P	90.9	Very high	87.6	Confident	6 Å²	6	26.7 Å²	26.7	4%	0.039	14%	0.141	C	C	.	.	H	α-helix	trans	-59.4	-39.7	177.2	-25.2	36.5	0	0	0	112.8	C946 M947 I1028 L1043	P943-C946 PolarHBondContact O-N 3.34Å; P943-M947 PolarHBondContact O-N 3.44Å; P943-I1028 HydrophobicContact CB-CD1 3.7Å; P943-I1028 HydrophobicContact CB-CG2 4.49Å; P943-I1028 WeakPolarHBondContact O-CD1 3.3Å; P943-L1043 HydrophobicContact CB-CD2 3.81Å; P943-L1043 HydrophobicContact CB-CG 4.45Å; P943-L1043 HydrophobicContact CG-CD2 4.19Å
944	V	90.4	Very high	87.8	Confident	2 Å²	2	27.8 Å²	27.8	1%	0.012	15%	0.146	C	C	.	.	H	α-helix	trans	-67.2	-40.8	-179.6	175.1	0	0	0	0	112	F897 Y900 T940 A941 V942 M947 A948 I1028	F897-V944 HydrophobicContact CD2-CG1 3.3Å; F897-V944 HydrophobicContact CE2-CG1 3.49Å; F897-V944 VanDerWaalsContact CE2-CG1 3.49Å; Y900-V944 HydrophobicContact CD1-CB 4.48Å; Y900-V944 HydrophobicContact CD1-CG1 4.24Å; Y900-V944 HydrophobicContact CD1-CG2 3.37Å; Y900-V944 HydrophobicContact CE1-CB 4.41Å; Y900-V944 HydrophobicContact CE1-CG2 3.01Å; T940-V944 WeakPolarHBondContact O-CG2 3.15Å; A941-V944 PolarHBondContact O-N 3.23Å; V942-V944 VanDerWaalsContact C-N 3.27Å; V942-V944 PolarHBondContact O-N 2.97Å; V944-M947 PolarHBondContact O-N 2.92Å; V944-A948 WeakPolarHBondContact O-CB 3.48Å; V944-A948 PolarHBondContact O-N 3.17Å; V944-I1028 HydrophobicContact CB-CD1 4.42Å; V944-I1028 HydrophobicContact CG2-CD1 3.86Å
945	M	90.3	Very high	88	Confident	45 Å²	45	28.8 Å²	28.8	22%	0.222	16%	0.155	C	C	.	.	H	α-helix	trans	-62.6	-46.3	173.7	-77	-171.5	-64.5	0	0	111.1	T361 A941 V942 M947 A948 F949	T361-M945 HydrophobicContact CG2-CG 3.6Å; T361-M945 HydrophobicContact CG2-SD 4.27Å; A941-M945 HydrophobicContact CB-CE 4.3Å; A941-M945 WeakPolarHBondContact O-CB 3.46Å; A941-M945 WeakPolarHBondContact O-CG 3.49Å; A941-M945 PolarHBondContact O-N 3.46Å; V942-M945 HydrophobicContact CG2-CE 4.24Å; V942-M945 PolarHBondContact O-N 3.33Å; M945-M947 VanDerWaalsContact C-N 3.34Å; M945-M947 PolarHBondContact O-N 3.44Å; M945-A948 CarbonylContact O-C 3.59Å; M945-A948 PolarHBondContact O-N 2.9Å; M945-A948 VanDerWaalsContact O-N 3.12Å; M945-F949 HydrophobicContact CB-CE1 4.48Å; M945-F949 HydrophobicContact CB-CE2 3.9Å; M945-F949 HydrophobicContact CB-CZ 3.8Å; M945-F949 HydrophobicContact CG-CZ 4.21Å; M945-F949 WeakPolarHBondContact O-CD1 3.21Å; M945-F949 VanDerWaalsContact O-CD2 3.32Å; M945-F949 WeakPolarHBondContact O-CD2 3.11Å; M945-F949 WeakPolarHBondContact O-CG 3.16Å; M945-F949 PolarHBondContact O-N 3Å; M945-F949 HydrophobicContact SD-CZ 4.44Å
946	C	91.8	Very high	88.2	Confident	18 Å²	18	29.6 Å²	29.6	12%	0.122	16%	0.162	C	C	.	.	H	α-helix	trans	-60.8	-42.1	177.6	-68.8	0	0	0	0	112.1	V942 P943 F949 F950 N1039 A1042	V942-C946 PolarHBondContact O-N 3.08Å; V942-C946 PolarHBondContact O-SG 3.26Å; P943-C946 PolarHBondContact O-N 3.34Å; C946-F949 PolarHBondContact O-N 3.09Å; C946-F950 WeakPolarHBondContact O-CD2 3.39Å; C946-F950 PolarHBondContact O-N 3.47Å; C946-N1039 VanDerWaalsContact CB-OD1 3.3Å; C946-N1039 WeakPolarHBondContact CB-OD1 3.43Å; C946-N1039 PolarHBondContact O-OD1 2.84Å; C946-A1042 HydrophobicContact CB-CB 4.08Å; C946-A1042 VanDerWaalsContact SG-CB 3.58Å
947	M	92.2	Very high	88.6	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-60.4	-47.6	171.6	-176.5	-86.8	-76.6	0	0	111.1	L896 P943 V944 M945 F949 F950 E951 I1028	L896-M947 HydrophobicContact CB-CE 4.15Å; L896-M947 HydrophobicContact CB-SD 4.03Å; P943-M947 PolarHBondContact O-N 3.44Å; V944-M947 PolarHBondContact O-N 2.92Å; M945-M947 VanDerWaalsContact C-N 3.34Å; M945-M947 PolarHBondContact O-N 3.44Å; M947-F949 PolarHBondContact O-N 3.3Å; M947-F950 PolarHBondContact O-N 3.14Å; M947-E951 HydrophobicContact CG-CB 4.22Å; M947-E951 WeakPolarHBondContact O-CB 3.38Å; M947-E951 PolarHBondContact O-N 3.39Å; M947-E951 HydrophobicContact SD-CB 4.29Å; M947-I1028 HydrophobicContact CB-CD1 4.12Å; M947-I1028 HydrophobicContact CB-CG1 4.44Å
948	A	92.2	Very high	89.1	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.4	-22.8	179.2	0	0	0	0	0	114	I365 H369 R893 F897 V944 M945	I365-A948 HydrophobicContact CD1-CB 3.43Å; I365-A948 VanDerWaalsContact CD1-CB 3.43Å; I365-A948 HydrophobicContact CG1-CB 3.73Å; I365-A948 HydrophobicContact CG2-CB 4.38Å; H369-A948 PolarHBondContact NE2-O 3.37Å; R893-A948 WeakPolarHBondContact CB-O 3.36Å; R893-A948 VanDerWaalsContact CD-O 3.31Å; R893-A948 WeakPolarHBondContact CD-O 3.4Å; F897-A948 HydrophobicContact CB-CB 4.16Å; F897-A948 HydrophobicContact CD2-CB 4.38Å; F897-A948 HydrophobicContact CG-CB 4.4Å; V944-A948 WeakPolarHBondContact O-CB 3.48Å; V944-A948 PolarHBondContact O-N 3.17Å; M945-A948 CarbonylContact O-C 3.59Å; M945-A948 PolarHBondContact O-N 2.9Å; M945-A948 VanDerWaalsContact O-N 3.12Å
949	F	92.9	Very high	89.5	Confident	25 Å²	25	29.9 Å²	29.9	11%	0.11	17%	0.165	C	C	.	.	H	α-helix	trans	-86.7	-46.7	176.3	-57.4	-21.5	0	0	0	112.2	V364 I365 I368 F372 R893 M945 C946 M947	V364-F949 HydrophobicContact CG1-CZ 4.06Å; I365-F949 HydrophobicContact CB-CE1 4.24Å; I365-F949 HydrophobicContact CG1-CD1 4.2Å; I365-F949 HydrophobicContact CG1-CE1 3.63Å; I368-F949 HydrophobicContact CB-CD1 4.32Å; I368-F949 HydrophobicContact CB-CE1 4.3Å; I368-F949 HydrophobicContact CD1-CD1 4.1Å; I368-F949 HydrophobicContact CD1-CD2 4.15Å; I368-F949 HydrophobicContact CD1-CE1 3.51Å; I368-F949 HydrophobicContact CD1-CE2 3.55Å; I368-F949 HydrophobicContact CD1-CG 4.43Å; I368-F949 HydrophobicContact CD1-CZ 3.21Å; I368-F949 HydrophobicContact CG1-CE1 4.47Å; I368-F949 HydrophobicContact CG2-CD1 4.06Å; I368-F949 HydrophobicContact CG2-CE1 4.48Å; I368-F949 HydrophobicContact CG2-CG 4.21Å; F372-F949 HydrophobicContact CE2-CB 4.36Å; R893-F949 PolarHBondContact NH1-O 3.34Å; M945-F949 HydrophobicContact CB-CE1 4.48Å; M945-F949 HydrophobicContact CB-CE2 3.9Å; M945-F949 HydrophobicContact CB-CZ 3.8Å; M945-F949 HydrophobicContact CG-CZ 4.21Å; M945-F949 WeakPolarHBondContact O-CD1 3.21Å; M945-F949 VanDerWaalsContact O-CD2 3.32Å; M945-F949 WeakPolarHBondContact O-CD2 3.11Å; M945-F949 WeakPolarHBondContact O-CG 3.16Å; M945-F949 PolarHBondContact O-N 3Å; M945-F949 HydrophobicContact SD-CZ 4.44Å; C946-F949 PolarHBondContact O-N 3.09Å; M947-F949 PolarHBondContact O-N 3.3Å
950	F	92.3	Very high	89.6	Confident	53 Å²	53	31.4 Å²	31.4	23%	0.232	17%	0.173	C	C	.	.	H	α-helix	trans	-108.2	-9.3	-164.4	-60.1	-61.8	0	0	0	115	F372 C946 M947 Q952 Y1034 T1036 F1038	F372-F950 HydrophobicContact CZ-CE1 4.05Å; C946-F950 WeakPolarHBondContact O-CD2 3.39Å; C946-F950 PolarHBondContact O-N 3.47Å; M947-F950 PolarHBondContact O-N 3.14Å; F950-Q952 PolarHBondContact O-N 3.29Å; F950-Y1034 WeakPolarHBondContact O-CD1 3.47Å; F950-T1036 HydrophobicContact CB-CG2 4.01Å; F950-T1036 HydrophobicContact CG-CG2 4.46Å; F950-F1038 HydrophobicContact CD2-CB 4.23Å; F950-F1038 HydrophobicContact CE2-CB 3.87Å; F950-F1038 AromaticContact CE2-CD2 3.99Å; F950-F1038 HydrophobicContact CE2-CD2 3.99Å; F950-F1038 HydrophobicContact CE2-CG 4.1Å; F950-F1038 AromaticContact CZ-CD2 3.95Å; F950-F1038 HydrophobicContact CZ-CD2 3.95Å; F950-F1038 HydrophobicContact CZ-CE2 4.47Å; F950-F1038 HydrophobicContact CZ-CG 4.42Å
951	E	91.9	Very high	89.6	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.009	21%	0.205	C	C	.	.			trans	-60	132.3	-178.3	178.4	66.4	-172.5	0	0	111.6	R893 L896 M947 K1033 Y1034	R893-E951 HydrophobicContact CG-CB 4.23Å; R893-E951 PolarHBondContact NE-O 2.94Å; R893-E951 PolarHBondContact NH2-O 3.42Å; L896-E951 HydrophobicContact CD1-CG 4.02Å; M947-E951 HydrophobicContact CG-CB 4.22Å; M947-E951 WeakPolarHBondContact O-CB 3.38Å; M947-E951 PolarHBondContact O-N 3.39Å; M947-E951 HydrophobicContact SD-CB 4.29Å; E951-K1033 VanDerWaalsContact OE1-CB 3.27Å; E951-K1033 WeakPolarHBondContact OE1-CB 3.37Å; E951-K1033 WeakPolarHBondContact OE1-CG 3.13Å; E951-K1033 PolarHBondContact OE1-N 3.32Å; E951-K1033 PolarHBondContact OE2-N 2.99Å; E951-Y1034 PolarHBondContact OE2-N 3.09Å
952	Q	88.8	Confident	89.8	Confident	51 Å²	51	43.8 Å²	43.8	24%	0.238	23%	0.225	C	C	.	.			trans	-140.6	135.1	178.2	-66.4	176.9	22.2	0	0	108.5	W889 F950 Y1034	W889-Q952 HydrophobicContact CD2-CG 4.41Å; W889-Q952 HydrophobicContact CZ2-CG 4.14Å; F950-Q952 PolarHBondContact O-N 3.29Å; Q952-Y1034 HydrophobicContact CB-CD1 4.44Å; Q952-Y1034 HydrophobicContact CB-CG 4.28Å; Q952-Y1034 WeakPolarHBondContact O-CB 3.43Å
953	D	84.1	Confident	89.9	Confident	44 Å²	44	41.6 Å²	41.6	24%	0.235	21%	0.212	C	C	.	.	S	Bend	trans	-93.4	-35.2	174	57.6	-21.2	0	0	0	113.2	R888 R892	R888-D953 IonicContact CZ-OD1 2.75Å; R888-D953 IonicContact CZ-OD2 3.64Å; R888-D953 IonicContact NE-OD2 3.92Å; R888-D953 IonicContact NH2-OD1 3.73Å; R888-D953 PolarHBondContact NH2-OD1 3.38Å; R888-D953 IonicContact NH2-OD2 3.25Å; R888-D953 PolarHBondContact NH2-OD2 2.82Å; R892-D953 VanDerWaalsContact CZ-CB 3.4Å; R892-D953 IonicContact CZ-OD2 3.53Å; R892-D953 IonicContact NE-OD2 3.78Å; R892-D953 IonicContact NH1-OD2 2.76Å; R892-D953 PolarHBondContact NH1-OD2 3.11Å
954	V	87.3	Confident	89.8	Confident	39 Å²	39	47.1 Å²	47.1	24%	0.236	24%	0.237	C	C	.	.	S	Bend	trans	-138.1	155	175.5	-58.8	0	0	0	0	109.5	R888 W889 L965	R888-V954 VanDerWaalsContact NH1-CG2 3.32Å; W889-V954 PolarHBondContact NE1-O 3.41Å; V954-L965 HydrophobicContact CG1-CD1 4.43Å; V954-L965 HydrophobicContact CG2-CD1 4.47Å
955	S	90.6	Very high	89.7	Confident	53 Å²	53	50.4 Å²	50.4	37%	0.371	25%	0.254	S	S	.	.			trans	-65	159.7	173.6	66.8	0	0	0	0	111.8	E957 S958 S959	S955-E957 VanDerWaalsContact C-N 3.32Å; S955-E957 PolarHBondContact O-N 3.01Å; S955-S958 PolarHBondContact O-N 2.98Å; S955-S958 WeakPolarHBondContact OG-CB 3.18Å; S955-S958 PolarHBondContact OG-N 3.43Å; S955-S958 PolarHBondContact OG-OG 3.13Å; S955-S959 PolarHBondContact O-N 3.5Å
956	A	90.4	Very high	89.8	Confident	16 Å²	16	48.5 Å²	48.5	13%	0.132	24%	0.244	C	C	.	.	H	α-helix	trans	-56	-46.2	177.5	0	0	0	0	0	111.8	V885 W889 S958 S959 L960	V885-A956 HydrophobicContact CG1-CB 3.82Å; V885-A956 HydrophobicContact CG2-CB 4.15Å; W889-A956 HydrophobicContact CH2-CB 3.88Å; W889-A956 HydrophobicContact CZ2-CB 4.23Å; A956-S958 PolarHBondContact O-N 3.48Å; A956-S959 WeakPolarHBondContact O-CB 3.28Å; A956-S959 PolarHBondContact O-N 3.31Å; A956-S959 VanDerWaalsContact O-N 3.13Å; A956-L960 PolarHBondContact O-N 3.26Å; A956-L960 VanDerWaalsContact O-N 3.09Å
957	E	90	Very high	89.7	Confident	157 Å²	157	50.6 Å²	50.6	73%	0.734	25%	0.251	S	S	*	.	H	α-helix	trans	-59.1	-43.6	176.9	-64.4	175.7	-175.2	0	0	112.3	S955 S959 L960 K961	S955-E957 VanDerWaalsContact C-N 3.32Å; S955-E957 PolarHBondContact O-N 3.01Å; E957-S959 VanDerWaalsContact C-N 3.3Å; E957-S959 PolarHBondContact O-N 2.82Å; E957-L960 PolarHBondContact O-N 3.03Å; E957-K961 WeakPolarHBondContact O-CB 3.34Å; E957-K961 PolarHBondContact O-N 3.13Å
958	S	87.4	Confident	89.5	Confident	46 Å²	46	52.2 Å²	52.2	32%	0.322	26%	0.263	S	S	.	.	H	α-helix	trans	-67.2	-32.9	177.6	-61.6	0	0	0	0	112	S955 A956 K961 F962	S955-S958 PolarHBondContact O-N 2.98Å; S955-S958 WeakPolarHBondContact OG-CB 3.18Å; S955-S958 PolarHBondContact OG-N 3.43Å; S955-S958 PolarHBondContact OG-OG 3.13Å; A956-S958 PolarHBondContact O-N 3.48Å; S958-K961 PolarHBondContact O-N 3.37Å; S958-F962 WeakPolarHBondContact O-CD2 3.24Å; S958-F962 PolarHBondContact O-N 3.01Å; S958-F962 VanDerWaalsContact O-N 3.09Å
959	S	88.5	Confident	89.2	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.014	27%	0.265	C	S	.	.	H	α-helix	trans	-67.3	-38.3	176.4	-151.8	0	0	0	0	111.8	L884 R888 S955 A956 E957 F962	L884-S959 PolarHBondContact O-OG 3.4Å; R888-S959 PolarHBondContact NH1-OG 3.11Å; S955-S959 PolarHBondContact O-N 3.5Å; A956-S959 WeakPolarHBondContact O-CB 3.28Å; A956-S959 PolarHBondContact O-N 3.31Å; A956-S959 VanDerWaalsContact O-N 3.13Å; E957-S959 VanDerWaalsContact C-N 3.3Å; E957-S959 PolarHBondContact O-N 2.82Å; S959-F962 CarbonylContact O-C 3.39Å
960	L	89.3	Confident	89.1	Confident	35 Å²	35	53.7 Å²	53.7	18%	0.183	27%	0.271	C	S	.	.	H	α-helix	trans	-72.6	-36	175.3	-66.1	175	0	0	0	112.1	Q880 L884 V885 A956 E957 F962	Q880-L960 HydrophobicContact CB-CD2 4.33Å; Q880-L960 HydrophobicContact CG-CD2 3.98Å; L884-L960 HydrophobicContact CB-CD2 4.26Å; L884-L960 HydrophobicContact CD1-CD2 4.16Å; V885-L960 HydrophobicContact CG2-CD2 4.19Å; V885-L960 HydrophobicContact CG2-CG 4.08Å; A956-L960 PolarHBondContact O-N 3.26Å; A956-L960 VanDerWaalsContact O-N 3.09Å; E957-L960 PolarHBondContact O-N 3.03Å; L960-F962 VanDerWaalsContact C-N 3.33Å; L960-F962 PolarHBondContact O-N 3.28Å
961	K	87.6	Confident	88.8	Confident	160 Å²	160	58.1 Å²	58.1	70%	0.696	29%	0.291	S	S	*	.	H	α-helix	trans	-68.7	-28.9	177	-172.3	172.6	-178.8	173.8	0	113.4	E957 S958	E957-K961 WeakPolarHBondContact O-CB 3.34Å; E957-K961 PolarHBondContact O-N 3.13Å; S958-K961 PolarHBondContact O-N 3.37Å
962	F	88.9	Confident	88.5	Confident	115 Å²	115	61.1 Å²	61.1	50%	0.504	30%	0.303	S	S	.	.			trans	-125.8	74.5	179.5	-59.3	-73.8	0	0	0	111.6	S958 S959 L960 E964 L965	S958-F962 WeakPolarHBondContact O-CD2 3.24Å; S958-F962 PolarHBondContact O-N 3.01Å; S958-F962 VanDerWaalsContact O-N 3.09Å; S959-F962 CarbonylContact O-C 3.39Å; L960-F962 VanDerWaalsContact C-N 3.33Å; L960-F962 PolarHBondContact O-N 3.28Å; F962-E964 PolarHBondContact O-N 3.1Å; F962-E964 VanDerWaalsContact O-N 3.1Å; F962-L965 HydrophobicContact CB-CD1 3.9Å; F962-L965 HydrophobicContact CB-CG 4.22Å; F962-L965 WeakPolarHBondContact O-CG 3.06Å; F962-L965 PolarHBondContact O-N 3.38Å
963	P	90.6	Very high	88.3	Confident	4 Å²	4	62.5 Å²	62.5	3%	0.026	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-60.4	-24.8	-176.4	-23.4	34.4	0	0	0	113.6	L678 E681 A682 L884 L965 Y966	L678-P963 HydrophobicContact CB-CG 4.4Å; L678-P963 HydrophobicContact CD2-CG 3.59Å; L678-P963 WeakPolarHBondContact O-CB 3.34Å; E681-P963 HydrophobicContact CB-CB 4.18Å; E681-P963 HydrophobicContact CB-CG 4.32Å; A682-P963 WeakPolarHBondContact CA-O 3.48Å; A682-P963 HydrophobicContact CB-CB 3.86Å; L884-P963 HydrophobicContact CD1-CB 4.18Å; L884-P963 HydrophobicContact CD1-CG 4.49Å; P963-L965 PolarHBondContact O-N 3.13Å; P963-Y966 WeakPolarHBondContact O-CB 3.38Å; P963-Y966 PolarHBondContact O-N 3.4Å
964	E	89	Confident	88	Confident	122 Å²	122	61.6 Å²	61.6	57%	0.57	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-56.9	-25.1	179.8	-56.3	-154.1	117.5	0	0	114.2	F962 Y966 K967	F962-E964 PolarHBondContact O-N 3.1Å; F962-E964 VanDerWaalsContact O-N 3.1Å; E964-Y966 PolarHBondContact O-N 2.96Å; E964-Y966 VanDerWaalsContact O-N 3.15Å; E964-K967 HydrophobicContact CB-CD 4.47Å; E964-K967 VanDerWaalsContact O-CB 3.32Å; E964-K967 WeakPolarHBondContact O-CB 3.25Å; E964-K967 WeakPolarHBondContact O-CG 3.44Å; E964-K967 PolarHBondContact O-N 3.08Å; E964-K967 VanDerWaalsContact O-N 3.08Å; E964-K967 IonicContact OE1-NZ 3.01Å; E964-K967 PolarHBondContact OE1-NZ 3.11Å
965	L	88.3	Confident	87.6	Confident	71 Å²	71	60.3 Å²	60.3	37%	0.372	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-61.4	-21.9	177.2	-65	171.3	0	0	0	112.5	R888 V954 F962 P963 K967	R888-L965 VanDerWaalsContact CZ-CB 3.44Å; V954-L965 HydrophobicContact CG1-CD1 4.43Å; V954-L965 HydrophobicContact CG2-CD1 4.47Å; F962-L965 HydrophobicContact CB-CD1 3.9Å; F962-L965 HydrophobicContact CB-CG 4.22Å; F962-L965 WeakPolarHBondContact O-CG 3.06Å; F962-L965 PolarHBondContact O-N 3.38Å; P963-L965 PolarHBondContact O-N 3.13Å; L965-K967 VanDerWaalsContact C-N 3.29Å; L965-K967 PolarHBondContact O-N 2.88Å
966	Y	92.1	Very high	87.2	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.016	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-66.3	-28	176.1	-172.1	-94.7	0	0	0	113.1	L399 Q401 V402 A682 I684 L883 L884 R888 P963 E964 S968 G969 Q970	L399-Y966 PolarHBondContact O-OH 3.25Å; Q401-Y966 PolarHBondContact N-OH 2.9Å; V402-Y966 WeakPolarHBondContact CB-OH 3.32Å; V402-Y966 PolarHBondContact N-OH 2.89Å; V402-Y966 WeakPolarHBondContact O-CE1 3.48Å; V402-Y966 PolarHBondContact O-OH 3.36Å; A682-Y966 HydrophobicContact CB-CD1 4.2Å; A682-Y966 HydrophobicContact CB-CG 4.34Å; I684-Y966 HydrophobicContact CD1-CD1 4.2Å; I684-Y966 HydrophobicContact CD1-CE1 3.75Å; I684-Y966 HydrophobicContact CG1-CD1 4.27Å; I684-Y966 HydrophobicContact CG1-CE1 3.87Å; L883-Y966 HydrophobicContact CB-CE2 4.33Å; L883-Y966 WeakPolarHBondContact O-CE2 3.41Å; L884-Y966 HydrophobicContact CD2-CD2 3.84Å; L884-Y966 HydrophobicContact CD2-CG 3.85Å; R888-Y966 HydrophobicContact CB-CD2 4.36Å; P963-Y966 WeakPolarHBondContact O-CB 3.38Å; P963-Y966 PolarHBondContact O-N 3.4Å; E964-Y966 PolarHBondContact O-N 2.96Å; E964-Y966 VanDerWaalsContact O-N 3.15Å; Y966-S968 PolarHBondContact O-N 3.13Å; Y966-G969 PolarHBondContact O-N 3.46Å; Y966-Q970 HydrophobicContact CD1-CG 4.07Å; Y966-Q970 HydrophobicContact CE1-CG 3.81Å
967	K	89.3	Confident	86.8	Confident	63 Å²	63	62.6 Å²	62.6	27%	0.274	31%	0.311	S	S	.	.	H	α-helix	trans	-57.3	-25.7	-179.6	-66.3	170.1	-179	161.4	0	113.3	E681 A682 E964 L965 G969 Q970 K971	E681-K967 VanDerWaalsContact O-CE 3.25Å; E681-K967 WeakPolarHBondContact O-CE 3.43Å; E681-K967 PolarHBondContact O-NZ 3.46Å; A682-K967 VanDerWaalsContact O-CG 3.28Å; A682-K967 WeakPolarHBondContact O-CG 3.4Å; E964-K967 HydrophobicContact CB-CD 4.47Å; E964-K967 VanDerWaalsContact O-CB 3.32Å; E964-K967 WeakPolarHBondContact O-CB 3.25Å; E964-K967 WeakPolarHBondContact O-CG 3.44Å; E964-K967 PolarHBondContact O-N 3.08Å; E964-K967 VanDerWaalsContact O-N 3.08Å; E964-K967 IonicContact OE1-NZ 3.01Å; E964-K967 PolarHBondContact OE1-NZ 3.11Å; L965-K967 VanDerWaalsContact C-N 3.29Å; L965-K967 PolarHBondContact O-N 2.88Å; K967-G969 VanDerWaalsContact C-N 3.29Å; K967-G969 PolarHBondContact O-N 3.34Å; K967-Q970 PolarHBondContact O-N 3.16Å; K967-K971 WeakPolarHBondContact O-CG 3.26Å; K967-K971 PolarHBondContact O-N 3.47Å; K967-K971 VanDerWaalsContact O-N 3.09Å
968	S	87.4	Confident	86.6	Confident	35 Å²	35	65.1 Å²	65.1	25%	0.245	31%	0.313	C	S	.	.	H	α-helix	trans	-63.4	-35.3	176.8	-173.6	0	0	0	0	112.3	Y966 K972 E973	Y966-S968 PolarHBondContact O-N 3.13Å; S968-K972 PolarHBondContact O-N 3.02Å; S968-E973 WeakPolarHBondContact CB-OE2 3.49Å; S968-E973 PolarHBondContact O-N 3.48Å; S968-E973 PolarHBondContact OG-OE2 3.03Å
969	G	87.4	Confident	86.5	Confident	5 Å²	5	66.9 Å²	66.9	5%	0.052	32%	0.316	C	S	.	.	H	α-helix	trans	-70.5	-45.6	176.2	0	0	0	0	0	112.7	G400 Y966 K967 K971 K972	G400-G969 WeakPolarHBondContact O-CA 3.35Å; Y966-G969 PolarHBondContact O-N 3.46Å; K967-G969 VanDerWaalsContact C-N 3.29Å; K967-G969 PolarHBondContact O-N 3.34Å; G969-K971 VanDerWaalsContact C-N 3.3Å; G969-K971 PolarHBondContact O-N 3.29Å; G969-K972 WeakPolarHBondContact O-CA 3.41Å; G969-K972 PolarHBondContact O-N 2.94Å
970	Q	89.1	Confident	86.3	Confident	50 Å²	50	67 Å²	67	23%	0.234	32%	0.316	C	S	.	.	H	α-helix	trans	-58.7	-39.8	175.8	-63.7	179.3	-26.5	0	0	112.6	V402 G683 Y966 K967 K972	V402-Q970 PolarHBondContact O-NE2 3.15Å; G683-Q970 PolarHBondContact O-NE2 2.93Å; G683-Q970 VanDerWaalsContact O-NE2 3.14Å; Y966-Q970 HydrophobicContact CD1-CG 4.07Å; Y966-Q970 HydrophobicContact CE1-CG 3.81Å; K967-Q970 PolarHBondContact O-N 3.16Å; Q970-K972 PolarHBondContact O-N 2.9Å
971	K	86.8	Confident	86.2	Confident	147 Å²	147	69 Å²	69	64%	0.639	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-4.6	175.6	-70.5	177.3	-176.8	178.3	0	113.8	K967 G969 E973	K967-K971 WeakPolarHBondContact O-CG 3.26Å; K967-K971 PolarHBondContact O-N 3.47Å; K967-K971 VanDerWaalsContact O-N 3.09Å; G969-K971 VanDerWaalsContact C-N 3.3Å; G969-K971 PolarHBondContact O-N 3.29Å; K971-E973 HydrophobicContact CB-CG 3.84Å; K971-E973 WeakPolarHBondContact CD-OE1 3.41Å; K971-E973 PolarHBondContact O-N 3.42Å
972	K	86.7	Confident	86.3	Confident	64 Å²	64	65.5 Å²	65.5	28%	0.278	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	37.6	-176.9	-60.8	173.2	-177.7	166.5	0	112.6	Q285 Y891 S968 G969 Q970 L974 S975 S976	Q285-K972 VanDerWaalsContact OE1-CE 3.24Å; Y891-K972 WeakPolarHBondContact OH-CA 3.49Å; S968-K972 PolarHBondContact O-N 3.02Å; G969-K972 WeakPolarHBondContact O-CA 3.41Å; G969-K972 PolarHBondContact O-N 2.94Å; Q970-K972 PolarHBondContact O-N 2.9Å; K972-L974 PolarHBondContact O-N 3.43Å; K972-S975 PolarHBondContact O-N 3.44Å; K972-S976 PolarHBondContact O-N 3.09Å; K972-S976 VanDerWaalsContact O-N 3.13Å
973	E	82.7	Confident	86.3	Confident	80 Å²	80	62.4 Å²	62.4	37%	0.374	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-31.3	-175.1	-72.6	176	179.3	0	0	111.6	S968 K971 K979	S968-E973 WeakPolarHBondContact CB-OE2 3.49Å; S968-E973 PolarHBondContact O-N 3.48Å; S968-E973 PolarHBondContact OG-OE2 3.03Å; K971-E973 HydrophobicContact CB-CG 3.84Å; K971-E973 WeakPolarHBondContact CD-OE1 3.41Å; K971-E973 PolarHBondContact O-N 3.42Å; E973-K979 WeakPolarHBondContact O-CD 3.47Å; E973-K979 WeakPolarHBondContact O-CE 3.34Å; E973-K979 PolarHBondContact O-NZ 2.96Å
974	L	79.3	Confident	86.2	Confident	25 Å²	25	64.4 Å²	64.4	13%	0.131	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-33	-177	-65.2	170.3	0	0	0	113.2	Y891 R892 R899 K972	Y891-L974 HydrophobicContact CD1-CD1 4.35Å; Y891-L974 HydrophobicContact CE1-CB 3.86Å; Y891-L974 HydrophobicContact CE1-CD1 3.92Å; Y891-L974 HydrophobicContact CE1-CG 4.21Å; Y891-L974 PolarHBondContact OH-N 2.94Å; Y891-L974 VanDerWaalsContact OH-N 3.08Å; R892-L974 HydrophobicContact CB-CD1 4.17Å; R892-L974 HydrophobicContact CG-CD1 3.95Å; R899-L974 PolarHBondContact NE-O 2.86Å; R899-L974 VanDerWaalsContact NH2-C 3.25Å; R899-L974 PolarHBondContact NH2-O 2.74Å; K972-L974 PolarHBondContact O-N 3.43Å
975	S	77.6	Confident	86.3	Confident	12 Å²	12	64 Å²	64	8%	0.084	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	7.9	-178.1	52.4	0	0	0	0	113.8	Y891 K972	Y891-S975 WeakPolarHBondContact CE2-OG 3.25Å; Y891-S975 PolarHBondContact OH-N 3.17Å; Y891-S975 PolarHBondContact OH-OG 3.48Å; K972-S975 PolarHBondContact O-N 3.44Å
976	S	83.2	Confident	86.5	Confident	36 Å²	36	62 Å²	62	25%	0.252	31%	0.306	S	S	.	.			trans	-58	134.2	-178.3	-176.7	0	0	0	0	112.3	K972 R978 K979 L980	K972-S976 PolarHBondContact O-N 3.09Å; K972-S976 VanDerWaalsContact O-N 3.13Å; S976-R978 PolarHBondContact O-N 3.13Å; S976-K979 PolarHBondContact O-N 3.41Å; S976-L980 PolarHBondContact O-N 3.21Å
977	P	82.7	Confident	86.6	Confident	81 Å²	81	61.9 Å²	61.9	53%	0.526	31%	0.305	S	S	.	.	H	α-helix	trans	-59.9	-31.1	-179.3	23.8	-34.3	0	0	0	112.5	K979 L980 V981	P977-K979 VanDerWaalsContact C-N 3.32Å; P977-K979 PolarHBondContact O-N 3.49Å; P977-L980 PolarHBondContact O-N 3.34Å; P977-V981 WeakPolarHBondContact O-CG2 3.28Å; P977-V981 PolarHBondContact O-N 3.1Å
978	R	85.1	Confident	86.7	Confident	210 Å²	210	61.4 Å²	61.4	79%	0.792	31%	0.308	S	S	*	.	H	α-helix	trans	-59.9	-43.1	175.8	-67.1	-177.3	-178.5	165	-0	111.8	S976 V981 T982	S976-R978 PolarHBondContact O-N 3.13Å; R978-V981 PolarHBondContact O-N 3.29Å; R978-T982 PolarHBondContact O-N 2.85Å; R978-T982 VanDerWaalsContact O-N 3.1Å; R978-T982 PolarHBondContact O-OG1 3.45Å; R978-T982 VanDerWaalsContact O-OG1 3.08Å
979	K	85	Confident	87.1	Confident	84 Å²	84	63.8 Å²	63.8	37%	0.365	31%	0.312	S	S	.	.	H	α-helix	trans	-68.6	-39	178	-67.5	-170.5	-176.8	173	0	111	R899 E973 S976 P977 V981 T982 Y983	R899-K979 VanDerWaalsContact NH2-CD 3.26Å; E973-K979 WeakPolarHBondContact O-CD 3.47Å; E973-K979 WeakPolarHBondContact O-CE 3.34Å; E973-K979 PolarHBondContact O-NZ 2.96Å; S976-K979 PolarHBondContact O-N 3.41Å; P977-K979 VanDerWaalsContact C-N 3.32Å; P977-K979 PolarHBondContact O-N 3.49Å; K979-V981 VanDerWaalsContact C-N 3.3Å; K979-V981 PolarHBondContact O-N 2.97Å; K979-T982 WeakPolarHBondContact O-CB 2.91Å; K979-T982 PolarHBondContact O-N 3.39Å; K979-Y983 VanDerWaalsContact O-CD2 3.3Å; K979-Y983 WeakPolarHBondContact O-CD2 3.35Å; K979-Y983 PolarHBondContact O-N 3.29Å; K979-Y983 VanDerWaalsContact O-N 3.1Å
980	L	85.3	Confident	87.5	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.016	31%	0.31	C	S	.	.	H	α-helix	trans	-59.1	-42.5	174.9	-64.1	174.3	0	0	0	111.5	V289 V293 L898 R899 L902 S976 P977 T982 Y983 L984	V289-L980 HydrophobicContact CG1-CD1 4.08Å; V293-L980 HydrophobicContact CG2-CD1 4.1Å; L898-L980 HydrophobicContact CD2-CD1 4.44Å; L898-L980 HydrophobicContact CD2-CD2 4.12Å; L898-L980 HydrophobicContact CG-CD2 4.28Å; R899-L980 HydrophobicContact CG-CD2 3.96Å; L902-L980 HydrophobicContact CD1-CD2 4Å; S976-L980 PolarHBondContact O-N 3.21Å; P977-L980 PolarHBondContact O-N 3.34Å; L980-T982 PolarHBondContact O-N 3.28Å; L980-Y983 PolarHBondContact O-N 3.23Å; L980-L984 PolarHBondContact O-N 2.86Å
981	V	86.9	Confident	87.8	Confident	79 Å²	79	61.2 Å²	61.2	48%	0.479	30%	0.299	S	S	.	.	H	α-helix	trans	-62.6	-41	174.7	174	0	0	0	0	111.9	P977 R978 K979 Y983 L984 L985	P977-V981 WeakPolarHBondContact O-CG2 3.28Å; P977-V981 PolarHBondContact O-N 3.1Å; R978-V981 PolarHBondContact O-N 3.29Å; K979-V981 VanDerWaalsContact C-N 3.3Å; K979-V981 PolarHBondContact O-N 2.97Å; V981-Y983 VanDerWaalsContact C-N 3.28Å; V981-Y983 PolarHBondContact O-N 3.25Å; V981-L984 WeakPolarHBondContact O-CB 3.44Å; V981-L984 PolarHBondContact O-N 2.8Å; V981-L984 VanDerWaalsContact O-N 3.13Å; V981-L985 HydrophobicContact CG1-CD1 4.44Å; V981-L985 WeakPolarHBondContact O-CG 3.37Å; V981-L985 PolarHBondContact O-N 3.02Å
982	T	88.6	Confident	88.2	Confident	86 Å²	86	57 Å²	57	53%	0.528	28%	0.283	S	S	.	.	H	α-helix	trans	-59	-39.8	175	-49.9	0	0	0	0	112.2	R978 K979 L980 L985 Y986	R978-T982 PolarHBondContact O-N 2.85Å; R978-T982 VanDerWaalsContact O-N 3.1Å; R978-T982 PolarHBondContact O-OG1 3.45Å; R978-T982 VanDerWaalsContact O-OG1 3.08Å; K979-T982 WeakPolarHBondContact O-CB 2.91Å; K979-T982 PolarHBondContact O-N 3.39Å; L980-T982 PolarHBondContact O-N 3.28Å; T982-L985 PolarHBondContact O-N 3.27Å; T982-Y986 PolarHBondContact O-N 3.48Å
983	Y	88.7	Confident	88.6	Confident	50 Å²	50	54.7 Å²	54.7	20%	0.196	27%	0.274	C	S	.	.	H	α-helix	trans	-71.6	-30.8	176.2	-83.7	-103.4	0	0	0	112.7	R899 F903 K979 L980 V981 Y986 A987	R899-Y983 HydrophobicContact CB-CD1 3.94Å; R899-Y983 HydrophobicContact CB-CD2 4.44Å; R899-Y983 HydrophobicContact CB-CE1 4.03Å; R899-Y983 HydrophobicContact CB-CG 4.14Å; R899-Y983 HydrophobicContact CG-CD2 4.39Å; R899-Y983 HydrophobicContact CG-CE2 4.47Å; F903-Y983 HydrophobicContact CB-CD1 4.37Å; K979-Y983 VanDerWaalsContact O-CD2 3.3Å; K979-Y983 WeakPolarHBondContact O-CD2 3.35Å; K979-Y983 PolarHBondContact O-N 3.29Å; K979-Y983 VanDerWaalsContact O-N 3.1Å; L980-Y983 PolarHBondContact O-N 3.23Å; V981-Y983 VanDerWaalsContact C-N 3.28Å; V981-Y983 PolarHBondContact O-N 3.25Å; Y983-Y986 PolarHBondContact O-N 3.48Å; Y983-A987 PolarHBondContact O-N 3.3Å
984	L	88.9	Confident	89.2	Confident	45 Å²	45	50.9 Å²	50.9	24%	0.236	26%	0.256	C	S	.	.	H	α-helix	trans	-66.4	-40.9	170.4	-70.8	170.9	0	0	0	111.5	L902 C906 L980 V981 Y986 A987 V988	L902-L984 HydrophobicContact CB-CD2 4.46Å; C906-L984 HydrophobicContact CB-CD2 4.3Å; L980-L984 PolarHBondContact O-N 2.86Å; V981-L984 WeakPolarHBondContact O-CB 3.44Å; V981-L984 PolarHBondContact O-N 2.8Å; V981-L984 VanDerWaalsContact O-N 3.13Å; L984-Y986 VanDerWaalsContact C-N 3.32Å; L984-Y986 PolarHBondContact O-N 3.36Å; L984-A987 VanDerWaalsContact O-CB 3.32Å; L984-A987 WeakPolarHBondContact O-CB 3.42Å; L984-A987 PolarHBondContact O-N 3.47Å; L984-A987 VanDerWaalsContact O-N 3.17Å; L984-V988 WeakPolarHBondContact O-CG2 3.35Å; L984-V988 PolarHBondContact O-N 3.45Å
985	L	91.4	Very high	90	Very high	115 Å²	115	49.8 Å²	49.8	60%	0.602	25%	0.25	S	S	*	.	H	α-helix	trans	-63.2	-39.6	172.8	-69.1	172.4	0	0	0	111.6	V981 T982 A987 V988 Y989	V981-L985 HydrophobicContact CG1-CD1 4.44Å; V981-L985 WeakPolarHBondContact O-CG 3.37Å; V981-L985 PolarHBondContact O-N 3.02Å; T982-L985 PolarHBondContact O-N 3.27Å; L985-A987 VanDerWaalsContact C-N 3.29Å; L985-A987 PolarHBondContact O-N 3.48Å; L985-V988 WeakPolarHBondContact O-CB 3.4Å; L985-V988 PolarHBondContact O-N 3.21Å; L985-Y989 PolarHBondContact O-N 2.99Å
986	Y	92.7	Very high	90.8	Very high	29 Å²	29	54 Å²	54	11%	0.114	27%	0.268	C	S	.	.	H	α-helix	trans	-62.6	-37	173.2	-178.9	-140	0	0	0	112.1	F903 T982 Y983 L984 Y989 M990 E1027 A1096 V1097 P1099 S1100	F903-Y986 AromaticContact CD2-CD1 3.31Å; F903-Y986 HydrophobicContact CD2-CD1 3.31Å; F903-Y986 AromaticContact CD2-CE1 3.63Å; F903-Y986 HydrophobicContact CD2-CE1 3.63Å; F903-Y986 AromaticContact CD2-CG 3.96Å; F903-Y986 HydrophobicContact CD2-CG 3.96Å; F903-Y986 HydrophobicContact CE1-CE1 4.2Å; F903-Y986 AromaticContact CE2-CD1 3.25Å; F903-Y986 HydrophobicContact CE2-CD1 3.25Å; F903-Y986 HydrophobicContact CE2-CD2 4.17Å; F903-Y986 AromaticContact CE2-CE1 3.17Å; F903-Y986 HydrophobicContact CE2-CE1 3.17Å; F903-Y986 HydrophobicContact CE2-CE2 4.08Å; F903-Y986 AromaticContact CE2-CG 3.77Å; F903-Y986 HydrophobicContact CE2-CG 3.77Å; F903-Y986 AromaticContact CE2-CZ 3.61Å; F903-Y986 HydrophobicContact CG-CD1 4.16Å; F903-Y986 HydrophobicContact CG-CE1 4.31Å; F903-Y986 HydrophobicContact CZ-CD1 4.06Å; F903-Y986 AromaticContact CZ-CE1 3.49Å; F903-Y986 HydrophobicContact CZ-CE1 3.49Å; F903-Y986 VanDerWaalsContact CZ-CE1 3.49Å; F903-Y986 AromaticContact CZ-CZ 3.75Å; T982-Y986 PolarHBondContact O-N 3.48Å; Y983-Y986 PolarHBondContact O-N 3.48Å; L984-Y986 VanDerWaalsContact C-N 3.32Å; L984-Y986 PolarHBondContact O-N 3.36Å; Y986-Y989 HydrophobicContact CD2-CD1 4.21Å; Y986-Y989 HydrophobicContact CE2-CD1 4.2Å; Y986-Y989 WeakPolarHBondContact O-CB 3.22Å; Y986-Y989 PolarHBondContact O-N 3.41Å; Y986-M990 WeakPolarHBondContact O-CB 3.43Å; Y986-M990 PolarHBondContact O-N 3.48Å; Y986-E1027 PolarHBondContact OH-OE2 3.48Å; Y986-A1096 PolarHBondContact OH-O 3.16Å; Y986-V1097 WeakPolarHBondContact OH-CA 3.49Å; Y986-P1099 HydrophobicContact CD2-CB 4.41Å; Y986-P1099 HydrophobicContact CE2-CB 4.11Å; Y986-P1099 HydrophobicContact CE2-CG 4.17Å; Y986-S1100 WeakPolarHBondContact OH-CB 3.46Å
987	A	92.9	Very high	91.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.7	-39.2	173.6	0	0	0	0	0	112.5	F903 C906 G907 Y983 L984 L985 M990 S991	F903-A987 HydrophobicContact CD2-CB 4.23Å; C906-A987 HydrophobicContact CB-CB 3.9Å; G907-A987 WeakPolarHBondContact CA-O 3.18Å; Y983-A987 PolarHBondContact O-N 3.3Å; L984-A987 VanDerWaalsContact O-CB 3.32Å; L984-A987 WeakPolarHBondContact O-CB 3.42Å; L984-A987 PolarHBondContact O-N 3.47Å; L984-A987 VanDerWaalsContact O-N 3.17Å; L985-A987 VanDerWaalsContact C-N 3.29Å; L985-A987 PolarHBondContact O-N 3.48Å; A987-M990 PolarHBondContact O-N 3.24Å; A987-S991 WeakPolarHBondContact O-CB 3.22Å; A987-S991 PolarHBondContact O-N 3.31Å
988	V	93.3	Very high	91.9	Very high	54 Å²	54	50.6 Å²	50.6	33%	0.327	24%	0.241	S	C	.	.	H	α-helix	trans	-61.3	-47.9	173.3	175.7	0	0	0	0	110.4	L910 W914 L984 L985 M990 S991 L992	L910-V988 HydrophobicContact CD1-CB 4.35Å; L910-V988 HydrophobicContact CD1-CG2 3.71Å; W914-V988 HydrophobicContact CZ2-CG1 4.43Å; L984-V988 WeakPolarHBondContact O-CG2 3.35Å; L984-V988 PolarHBondContact O-N 3.45Å; L985-V988 WeakPolarHBondContact O-CB 3.4Å; L985-V988 PolarHBondContact O-N 3.21Å; V988-M990 PolarHBondContact O-N 3.12Å; V988-S991 PolarHBondContact O-N 2.83Å; V988-S991 PolarHBondContact O-OG 3.17Å; V988-L992 HydrophobicContact CG1-CD1 4.37Å; V988-L992 WeakPolarHBondContact O-CG 3.43Å; V988-L992 PolarHBondContact O-N 3.32Å; V988-L992 VanDerWaalsContact O-N 3.08Å
989	Y	95.3	Very high	92.3	Very high	85 Å²	85	41.8 Å²	41.8	33%	0.333	21%	0.212	S	C	.	.	H	α-helix	trans	-57.2	-49.3	176.3	170.1	-95.3	0	0	0	112	L985 Y986 S991 L992 V993 T1095 P1099	L985-Y989 PolarHBondContact O-N 2.99Å; Y986-Y989 HydrophobicContact CD2-CD1 4.21Å; Y986-Y989 HydrophobicContact CE2-CD1 4.2Å; Y986-Y989 WeakPolarHBondContact O-CB 3.22Å; Y986-Y989 PolarHBondContact O-N 3.41Å; Y989-S991 VanDerWaalsContact C-N 3.29Å; Y989-S991 PolarHBondContact O-N 3.34Å; Y989-L992 WeakPolarHBondContact O-CB 3.43Å; Y989-L992 PolarHBondContact O-N 3.44Å; Y989-V993 HydrophobicContact CD1-CG2 4.38Å; Y989-V993 HydrophobicContact CD2-CG2 4.39Å; Y989-V993 HydrophobicContact CE1-CG2 3.87Å; Y989-V993 HydrophobicContact CE2-CG2 3.9Å; Y989-V993 WeakPolarHBondContact O-CG2 3.46Å; Y989-V993 PolarHBondContact O-N 3.04Å; Y989-V993 VanDerWaalsContact O-N 3.08Å; Y989-T1095 PolarHBondContact OH-O 3.29Å; Y989-P1099 HydrophobicContact CD1-CG 3.73Å; Y989-P1099 HydrophobicContact CE1-CG 3.26Å; Y989-P1099 HydrophobicContact CE2-CG 4.45Å; Y989-P1099 HydrophobicContact CG-CG 4.49Å
990	M	94.9	Very high	92.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.4	-41.2	178.8	-179.8	-103.8	-165.5	0	0	111.4	F903 Y986 A987 V988 L992 V993 L994 A1023 V1024 A1096	F903-M990 HydrophobicContact CE2-CB 3.78Å; F903-M990 HydrophobicContact CE2-CG 4.03Å; F903-M990 HydrophobicContact CZ-CB 4.14Å; F903-M990 HydrophobicContact CZ-CG 3.89Å; F903-M990 HydrophobicContact CZ-SD 4.44Å; Y986-M990 WeakPolarHBondContact O-CB 3.43Å; Y986-M990 PolarHBondContact O-N 3.48Å; A987-M990 PolarHBondContact O-N 3.24Å; V988-M990 PolarHBondContact O-N 3.12Å; M990-L992 VanDerWaalsContact C-N 3.35Å; M990-L992 PolarHBondContact O-N 3.32Å; M990-V993 PolarHBondContact O-N 3.29Å; M990-L994 HydrophobicContact CE-CD1 3.42Å; M990-L994 VanDerWaalsContact CE-CD1 3.42Å; M990-L994 HydrophobicContact CE-CD2 4.41Å; M990-L994 HydrophobicContact CE-CG 4.07Å; M990-L994 HydrophobicContact CG-CD1 4.39Å; M990-L994 HydrophobicContact CG-CG 4.37Å; M990-L994 WeakPolarHBondContact O-CB 3.39Å; M990-L994 VanDerWaalsContact O-CG 3.29Å; M990-L994 WeakPolarHBondContact O-CG 3.32Å; M990-L994 PolarHBondContact O-N 3.28Å; M990-L994 HydrophobicContact SD-CD1 3.46Å; M990-L994 WeakPolarHBondContact SD-CD1 3.11Å; M990-L994 HydrophobicContact SD-CG 4.07Å; M990-A1023 HydrophobicContact CE-CB 4.03Å; M990-V1024 HydrophobicContact CE-CG2 3.69Å; M990-A1096 HydrophobicContact CG-CB 4.12Å
991	S	95.3	Very high	92.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.6	-35.6	177.5	74.9	0	0	0	0	113.7	G907 L910 W914 A987 V988 Y989 F995	G907-S991 WeakPolarHBondContact O-CB 3.42Å; L910-S991 WeakPolarHBondContact CB-OG 3.2Å; W914-S991 PolarHBondContact NE1-OG 2.76Å; A987-S991 WeakPolarHBondContact O-CB 3.22Å; A987-S991 PolarHBondContact O-N 3.31Å; V988-S991 PolarHBondContact O-N 2.83Å; V988-S991 PolarHBondContact O-OG 3.17Å; Y989-S991 VanDerWaalsContact C-N 3.29Å; Y989-S991 PolarHBondContact O-N 3.34Å; S991-F995 PolarHBondContact O-N 2.94Å
992	L	95.3	Very high	93	Very high	58 Å²	58	39.9 Å²	39.9	30%	0.304	22%	0.216	S	C	.	.	H	α-helix	trans	-66.2	-47.7	175.7	-72.9	168	0	0	0	110.7	W914 V988 Y989 M990 F995 F996	W914-L992 HydrophobicContact CD2-CD2 3.78Å; W914-L992 HydrophobicContact CE3-CD2 4.19Å; W914-L992 HydrophobicContact CG-CD2 4.35Å; W914-L992 HydrophobicContact CH2-CD2 3.96Å; W914-L992 HydrophobicContact CZ2-CD2 3.5Å; W914-L992 HydrophobicContact CZ2-CG 3.96Å; W914-L992 HydrophobicContact CZ3-CD2 4.28Å; V988-L992 HydrophobicContact CG1-CD1 4.37Å; V988-L992 WeakPolarHBondContact O-CG 3.43Å; V988-L992 PolarHBondContact O-N 3.32Å; V988-L992 VanDerWaalsContact O-N 3.08Å; Y989-L992 WeakPolarHBondContact O-CB 3.43Å; Y989-L992 PolarHBondContact O-N 3.44Å; M990-L992 VanDerWaalsContact C-N 3.35Å; M990-L992 PolarHBondContact O-N 3.32Å; L992-F995 PolarHBondContact O-N 3.27Å; L992-F996 HydrophobicContact CB-CD2 4.4Å; L992-F996 HydrophobicContact CD2-CD2 3.96Å; L992-F996 HydrophobicContact CD2-CE2 3.61Å; L992-F996 WeakPolarHBondContact O-CB 3.39Å; L992-F996 WeakPolarHBondContact O-CD2 3.45Å; L992-F996 PolarHBondContact O-N 2.54Å
993	V	96.3	Very high	93	Very high	16 Å²	16	44.8 Å²	44.8	10%	0.097	23%	0.226	C	C	.	.	H	α-helix	trans	-63	-46.6	179.7	172.3	0	0	0	0	111.4	Y989 M990 F995 I997 T1092 T1095 A1096	Y989-V993 HydrophobicContact CD1-CG2 4.38Å; Y989-V993 HydrophobicContact CD2-CG2 4.39Å; Y989-V993 HydrophobicContact CE1-CG2 3.87Å; Y989-V993 HydrophobicContact CE2-CG2 3.9Å; Y989-V993 WeakPolarHBondContact O-CG2 3.46Å; Y989-V993 PolarHBondContact O-N 3.04Å; Y989-V993 VanDerWaalsContact O-N 3.08Å; M990-V993 PolarHBondContact O-N 3.29Å; V993-F995 PolarHBondContact O-N 2.73Å; V993-I997 HydrophobicContact CG1-CD1 3.66Å; V993-I997 HydrophobicContact CG1-CG1 4.37Å; V993-I997 PolarHBondContact O-N 2.84Å; V993-T1092 HydrophobicContact CG1-CG2 4.2Å; V993-T1092 WeakPolarHBondContact O-CG2 3.49Å; V993-T1095 WeakPolarHBondContact CG1-OG1 3.35Å; V993-A1096 HydrophobicContact CB-CB 4.39Å; V993-A1096 HydrophobicContact CG1-CB 3.93Å
994	L	95.4	Very high	92.6	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-56.2	-33.6	178.3	-79.3	-174.6	0	0	0	112.9	V911 M990 P998 A1019 A1020 T1092	V911-L994 HydrophobicContact CG2-CB 3.98Å; V911-L994 HydrophobicContact CG2-CD1 4.11Å; M990-L994 HydrophobicContact CE-CD1 3.42Å; M990-L994 VanDerWaalsContact CE-CD1 3.42Å; M990-L994 HydrophobicContact CE-CD2 4.41Å; M990-L994 HydrophobicContact CE-CG 4.07Å; M990-L994 HydrophobicContact CG-CD1 4.39Å; M990-L994 HydrophobicContact CG-CG 4.37Å; M990-L994 WeakPolarHBondContact O-CB 3.39Å; M990-L994 VanDerWaalsContact O-CG 3.29Å; M990-L994 WeakPolarHBondContact O-CG 3.32Å; M990-L994 PolarHBondContact O-N 3.28Å; M990-L994 HydrophobicContact SD-CD1 3.46Å; M990-L994 WeakPolarHBondContact SD-CD1 3.11Å; M990-L994 HydrophobicContact SD-CG 4.07Å; L994-P998 VanDerWaalsContact O-CD 3.26Å; L994-P998 WeakPolarHBondContact O-CD 3.43Å; L994-P998 WeakPolarHBondContact O-CG 3.41Å; L994-A1019 HydrophobicContact CD2-CB 3.96Å; L994-A1020 HydrophobicContact CD1-CB 3.81Å; L994-A1020 HydrophobicContact CD2-CB 4.15Å; L994-T1092 HydrophobicContact CD2-CG2 4.03Å
995	F	95.2	Very high	92.5	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.009	26%	0.264	C	S	.	.	H	α-helix	trans	-90.7	-54.6	-177.8	-176.4	-107.4	0	0	0	113	V911 W914 F915 L918 L926 S991 L992 V993 I997 C999	V911-F995 HydrophobicContact CG1-CB 4.28Å; V911-F995 HydrophobicContact CG1-CD2 4.12Å; W914-F995 HydrophobicContact CB-CB 4.17Å; W914-F995 HydrophobicContact CB-CD1 3.43Å; W914-F995 VanDerWaalsContact CB-CD1 3.43Å; W914-F995 HydrophobicContact CB-CE1 3.89Å; W914-F995 HydrophobicContact CB-CG 3.77Å; W914-F995 HydrophobicContact CG-CD1 4.48Å; F915-F995 VanDerWaalsContact CA-CZ 3.47Å; F915-F995 HydrophobicContact CB-CD2 4.34Å; F915-F995 HydrophobicContact CB-CE2 3.64Å; F915-F995 HydrophobicContact CB-CZ 4.06Å; F915-F995 AromaticContact CD2-CE2 3.77Å; F915-F995 HydrophobicContact CD2-CE2 3.77Å; F915-F995 HydrophobicContact CD2-CZ 4.08Å; F915-F995 HydrophobicContact CG-CE2 4.15Å; L918-F995 HydrophobicContact CD1-CE1 3.7Å; L918-F995 HydrophobicContact CD1-CZ 3.6Å; L918-F995 HydrophobicContact CG-CE1 4.23Å; L918-F995 HydrophobicContact CG-CZ 4.17Å; L926-F995 HydrophobicContact CD2-CD2 4.05Å; L926-F995 HydrophobicContact CD2-CE2 4.34Å; S991-F995 PolarHBondContact O-N 2.94Å; L992-F995 PolarHBondContact O-N 3.27Å; V993-F995 PolarHBondContact O-N 2.73Å; F995-I997 PolarHBondContact O-N 2.68Å; F995-C999 WeakPolarHBondContact O-CB 3.39Å; F995-C999 PolarHBondContact O-N 2.79Å; F995-C999 VanDerWaalsContact O-N 3.08Å
996	F	95.3	Very high	92.2	Very high	102 Å²	102	50.5 Å²	50.5	45%	0.447	28%	0.279	S	S	.	.	H	α-helix	trans	-73.1	-29.3	-168.2	-78.5	-72.8	0	0	0	113.7	W914 L992 G1000	W914-F996 HydrophobicContact CB-CE2 4.45Å; W914-F996 HydrophobicContact CG-CE2 4.43Å; L992-F996 HydrophobicContact CB-CD2 4.4Å; L992-F996 HydrophobicContact CD2-CD2 3.96Å; L992-F996 HydrophobicContact CD2-CE2 3.61Å; L992-F996 WeakPolarHBondContact O-CB 3.39Å; L992-F996 WeakPolarHBondContact O-CD2 3.45Å; L992-F996 PolarHBondContact O-N 2.54Å; F996-G1000 PolarHBondContact O-N 2.96Å
997	I	95.3	Very high	91.8	Very high	44 Å²	44	53.1 Å²	53.1	23%	0.226	29%	0.289	C	S	.	.	H	α-helix	trans	-69.3	-55.7	177.7	-63.6	-177.5	0	0	0	111	V993 F995 C999 G1000 V1001 L1091 T1092 T1095	V993-I997 HydrophobicContact CG1-CD1 3.66Å; V993-I997 HydrophobicContact CG1-CG1 4.37Å; V993-I997 PolarHBondContact O-N 2.84Å; F995-I997 PolarHBondContact O-N 2.68Å; I997-C999 VanDerWaalsContact C-N 3.29Å; I997-C999 PolarHBondContact O-N 3.44Å; I997-G1000 PolarHBondContact O-N 2.74Å; I997-G1000 VanDerWaalsContact O-N 3.15Å; I997-V1001 WeakPolarHBondContact O-CG2 3.34Å; I997-V1001 PolarHBondContact O-N 3.44Å; I997-L1091 HydrophobicContact CG2-CD2 4.41Å; I997-T1092 HydrophobicContact CB-CG2 4.4Å; I997-T1092 VanDerWaalsContact CG2-OG1 3.28Å; I997-T1092 WeakPolarHBondContact CG2-OG1 3.46Å; I997-T1095 HydrophobicContact CD1-CG2 4.15Å; I997-T1095 WeakPolarHBondContact CD1-OG1 3.37Å
998	P	93.7	Very high	91.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60	-39.5	176	-26.3	38.4	0	0	0	112.5	L994 G1000 V1001 F1002 V1016 T1088 T1092	L994-P998 VanDerWaalsContact O-CD 3.26Å; L994-P998 WeakPolarHBondContact O-CD 3.43Å; L994-P998 WeakPolarHBondContact O-CG 3.41Å; P998-G1000 VanDerWaalsContact C-N 3.32Å; P998-G1000 PolarHBondContact O-N 3.45Å; P998-V1001 PolarHBondContact O-N 2.89Å; P998-F1002 HydrophobicContact CB-CD2 4.42Å; P998-F1002 HydrophobicContact CB-CE2 4.31Å; P998-F1002 WeakPolarHBondContact O-CB 3.35Å; P998-F1002 VanDerWaalsContact O-CD2 3.23Å; P998-F1002 WeakPolarHBondContact O-CD2 3.39Å; P998-F1002 WeakPolarHBondContact O-CG 3.49Å; P998-F1002 PolarHBondContact O-N 2.91Å; P998-V1016 HydrophobicContact CB-CG2 3.82Å; P998-V1016 HydrophobicContact CG-CG2 3.87Å; P998-T1088 HydrophobicContact CB-CG2 4.19Å; P998-T1088 HydrophobicContact CG-CG2 4.22Å; P998-T1092 HydrophobicContact CG-CG2 4.14Å
999	C	92.1	Very high	91.3	Very high	25 Å²	25	57.9 Å²	57.9	17%	0.169	31%	0.307	C	S	.	.	H	α-helix	trans	-60.8	-40.4	175.9	-174.2	0	0	0	0	112.2	L918 F995 I997 Y1003 M1012	L918-C999 VanDerWaalsContact CD1-SG 3.58Å; F995-C999 WeakPolarHBondContact O-CB 3.39Å; F995-C999 PolarHBondContact O-N 2.79Å; F995-C999 VanDerWaalsContact O-N 3.08Å; I997-C999 VanDerWaalsContact C-N 3.29Å; I997-C999 PolarHBondContact O-N 3.44Å; C999-Y1003 WeakPolarHBondContact O-CB 3.44Å; C999-Y1003 PolarHBondContact O-N 3.29Å; C999-M1012 HydrophobicContact CB-SD 4.42Å
1000	G	91.8	Very high	91.1	Very high	51 Å²	51	55.3 Å²	55.3	53%	0.526	30%	0.298	S	S	.	.	H	α-helix	trans	-70.3	-38.8	178.1	0	0	0	0	0	113.1	F996 I997 P998 Y1003	F996-G1000 PolarHBondContact O-N 2.96Å; I997-G1000 PolarHBondContact O-N 2.74Å; I997-G1000 VanDerWaalsContact O-N 3.15Å; P998-G1000 VanDerWaalsContact C-N 3.32Å; P998-G1000 PolarHBondContact O-N 3.45Å; G1000-Y1003 WeakPolarHBondContact O-CB 3.41Å; G1000-Y1003 PolarHBondContact O-N 2.86Å
1001	V	91.6	Very high	90.9	Very high	58 Å²	58	56 Å²	56	35%	0.352	30%	0.302	S	S	.	.	H	α-helix	trans	-68.7	-39.6	177.3	174.8	0	0	0	0	111.5	I997 P998 Y1003 T1005 V1084 T1088	I997-V1001 WeakPolarHBondContact O-CG2 3.34Å; I997-V1001 PolarHBondContact O-N 3.44Å; P998-V1001 PolarHBondContact O-N 2.89Å; V1001-Y1003 VanDerWaalsContact C-N 3.32Å; V1001-T1005 WeakPolarHBondContact O-CG2 3.29Å; V1001-V1084 HydrophobicContact CG1-CG1 4.26Å; V1001-T1088 HydrophobicContact CB-CG2 4.23Å; V1001-T1088 HydrophobicContact CG1-CG2 4.42Å; V1001-T1088 HydrophobicContact CG2-CG2 4.18Å
1002	F	89.9	Confident	90.7	Very high	18 Å²	18	57 Å²	57	8%	0.079	31%	0.307	C	S	.	.	H	α-helix	trans	-84.8	-6.3	178.6	-60.6	-39.1	0	0	0	113.7	P998 N1004 T1005 Y1007 M1012 T1015 V1084 V1085	P998-F1002 HydrophobicContact CB-CD2 4.42Å; P998-F1002 HydrophobicContact CB-CE2 4.31Å; P998-F1002 WeakPolarHBondContact O-CB 3.35Å; P998-F1002 VanDerWaalsContact O-CD2 3.23Å; P998-F1002 WeakPolarHBondContact O-CD2 3.39Å; P998-F1002 WeakPolarHBondContact O-CG 3.49Å; P998-F1002 PolarHBondContact O-N 2.91Å; F1002-N1004 PolarHBondContact O-N 3.16Å; F1002-T1005 VanDerWaalsContact CA-OG1 3.31Å; F1002-T1005 WeakPolarHBondContact CA-OG1 3.36Å; F1002-T1005 PolarHBondContact O-N 3.36Å; F1002-T1005 VanDerWaalsContact O-N 3.12Å; F1002-T1005 PolarHBondContact O-OG1 2.63Å; F1002-Y1007 AromaticContact CD1-CD2 3.53Å; F1002-Y1007 HydrophobicContact CD1-CD2 3.53Å; F1002-Y1007 HydrophobicContact CD1-CE2 4.27Å; F1002-Y1007 HydrophobicContact CD1-CG 4.12Å; F1002-Y1007 AromaticContact CE1-CD2 3.78Å; F1002-Y1007 HydrophobicContact CE1-CD2 3.78Å; F1002-Y1007 HydrophobicContact CE1-CE2 4.24Å; F1002-Y1007 HydrophobicContact CE1-CG 4.24Å; F1002-M1012 HydrophobicContact CD2-CB 3.67Å; F1002-M1012 HydrophobicContact CD2-CG 3.74Å; F1002-M1012 HydrophobicContact CD2-SD 4.41Å; F1002-M1012 HydrophobicContact CE2-CB 4.02Å; F1002-M1012 HydrophobicContact CE2-CG 4.2Å; F1002-T1015 HydrophobicContact CE2-CG2 3.99Å; F1002-T1015 HydrophobicContact CZ-CG2 4.01Å; F1002-T1015 WeakPolarHBondContact CZ-OG1 3.48Å; F1002-V1084 HydrophobicContact CE1-CG1 4.27Å; F1002-V1085 HydrophobicContact CZ-CG2 4.48Å
1003	Y	86.9	Confident	90.6	Very high	188 Å²	188	54.4 Å²	54.4	74%	0.737	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	123.6	176.1	-167.7	-102.3	0	0	0	110.1	C999 G1000 V1001 T1005	C999-Y1003 WeakPolarHBondContact O-CB 3.44Å; C999-Y1003 PolarHBondContact O-N 3.29Å; G1000-Y1003 WeakPolarHBondContact O-CB 3.41Å; G1000-Y1003 PolarHBondContact O-N 2.86Å; V1001-Y1003 VanDerWaalsContact C-N 3.32Å; Y1003-T1005 VanDerWaalsContact C-N 3.27Å; Y1003-T1005 PolarHBondContact O-N 2.91Å
1004	N	81.9	Confident	90.4	Very high	160 Å²	160	53.8 Å²	53.8	86%	0.856	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	24.5	-179.5	-152.1	29.6	0	0	0	115.1	F1002	F1002-N1004 PolarHBondContact O-N 3.16Å
1005	T	86.6	Confident	90.4	Very high	59 Å²	59	53.8 Å²	53.8	36%	0.362	29%	0.29	S	S	.	.	S	Bend	trans	-104	166.9	171.2	66.8	0	0	0	0	111.4	V1001 F1002 Y1003 Y1007	V1001-T1005 WeakPolarHBondContact O-CG2 3.29Å; F1002-T1005 VanDerWaalsContact CA-OG1 3.31Å; F1002-T1005 WeakPolarHBondContact CA-OG1 3.36Å; F1002-T1005 PolarHBondContact O-N 3.36Å; F1002-T1005 VanDerWaalsContact O-N 3.12Å; F1002-T1005 PolarHBondContact O-OG1 2.63Å; Y1003-T1005 VanDerWaalsContact C-N 3.27Å; Y1003-T1005 PolarHBondContact O-N 2.91Å; T1005-Y1007 HydrophobicContact CG2-CD2 4.45Å; T1005-Y1007 PolarHBondContact O-N 2.73Å; T1005-Y1007 WeakPolarHBondContact OG1-CD2 3.39Å
1006	A	84.1	Confident	90.3	Very high	111 Å²	111	53.7 Å²	53.7	92%	0.917	29%	0.29	S	S	*	.	S	Bend	trans	-80.5	5.3	178	0	0	0	0	0	114.1
1007	Y	85.4	Confident	90.2	Very high	85 Å²	85	49.2 Å²	49.2	33%	0.333	27%	0.271	S	S	.	.			trans	-75.7	141	179.5	-62.9	-65	0	0	0	111.3	F1002 T1005 T1011 D1082 V1084	F1002-Y1007 AromaticContact CD1-CD2 3.53Å; F1002-Y1007 HydrophobicContact CD1-CD2 3.53Å; F1002-Y1007 HydrophobicContact CD1-CE2 4.27Å; F1002-Y1007 HydrophobicContact CD1-CG 4.12Å; F1002-Y1007 AromaticContact CE1-CD2 3.78Å; F1002-Y1007 HydrophobicContact CE1-CD2 3.78Å; F1002-Y1007 HydrophobicContact CE1-CE2 4.24Å; F1002-Y1007 HydrophobicContact CE1-CG 4.24Å; T1005-Y1007 HydrophobicContact CG2-CD2 4.45Å; T1005-Y1007 PolarHBondContact O-N 2.73Å; T1005-Y1007 WeakPolarHBondContact OG1-CD2 3.39Å; Y1007-T1011 HydrophobicContact CD1-CG2 4.27Å; Y1007-D1082 WeakPolarHBondContact CE1-OD2 3.43Å; Y1007-D1082 PolarHBondContact OH-OD2 3.08Å; Y1007-V1084 HydrophobicContact CE2-CG1 4.39Å
1008	D	87.8	Confident	90.2	Very high	71 Å²	71	47.1 Å²	47.1	38%	0.38	26%	0.26	S	S	.	.			trans	-81.7	164.7	178	66.3	-13	0	0	0	112.2	Q1010 T1011 M1012	D1008-Q1010 PolarHBondContact O-N 3.32Å; D1008-T1011 PolarHBondContact O-N 2.97Å; D1008-T1011 WeakPolarHBondContact OD1-CB 3.42Å; D1008-T1011 PolarHBondContact OD1-N 2.88Å; D1008-T1011 PolarHBondContact OD1-OG1 3.43Å; D1008-M1012 PolarHBondContact O-N 3.41Å; D1008-M1012 VanDerWaalsContact O-N 3.15Å
1009	Y	87.9	Confident	90.2	Very high	83 Å²	83	47.1 Å²	47.1	33%	0.325	26%	0.26	S	S	.	.	H	α-helix	trans	-62.9	-27	177.7	87.7	-87.6	0	0	0	112.1	M1012 A1013 F1071	Y1009-M1012 WeakPolarHBondContact O-CB 3.45Å; Y1009-M1012 PolarHBondContact O-N 3Å; Y1009-A1013 WeakPolarHBondContact O-CB 3.34Å; Y1009-A1013 PolarHBondContact O-N 3.43Å; Y1009-F1071 WeakPolarHBondContact OH-CE2 3.36Å
1010	Q	90.7	Very high	90.3	Very high	31 Å²	31	46 Å²	46	15%	0.145	25%	0.252	C	S	.	.	H	α-helix	trans	-69.7	-42.8	179.2	-60.9	-173.9	-7.9	0	0	110.8	D1008 M1012 A1013 V1014 F1072 V1075	D1008-Q1010 PolarHBondContact O-N 3.32Å; Q1010-M1012 VanDerWaalsContact C-N 3.28Å; Q1010-M1012 PolarHBondContact O-N 2.91Å; Q1010-A1013 WeakPolarHBondContact O-CB 3.28Å; Q1010-A1013 PolarHBondContact O-N 3.15Å; Q1010-V1014 WeakPolarHBondContact O-CG2 3.39Å; Q1010-V1014 PolarHBondContact O-N 3.29Å; Q1010-F1072 HydrophobicContact CB-CD1 3.79Å; Q1010-F1072 HydrophobicContact CB-CE1 3.57Å; Q1010-F1072 HydrophobicContact CB-CZ 4.24Å; Q1010-F1072 HydrophobicContact CG-CD1 4.19Å; Q1010-F1072 HydrophobicContact CG-CE1 3.96Å; Q1010-F1072 HydrophobicContact CG-CZ 4.17Å; Q1010-V1075 HydrophobicContact CB-CG1 4.05Å; Q1010-V1075 HydrophobicContact CB-CG2 3.92Å
1011	T	91.1	Very high	90.4	Very high	13 Å²	13	43.6 Å²	43.6	8%	0.08	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-38.7	171.5	-58.8	0	0	0	0	111	Y1007 D1008 V1014 T1015 A1079 V1085	Y1007-T1011 HydrophobicContact CD1-CG2 4.27Å; D1008-T1011 PolarHBondContact O-N 2.97Å; D1008-T1011 WeakPolarHBondContact OD1-CB 3.42Å; D1008-T1011 PolarHBondContact OD1-N 2.88Å; D1008-T1011 PolarHBondContact OD1-OG1 3.43Å; T1011-V1014 PolarHBondContact O-N 3.21Å; T1011-T1015 WeakPolarHBondContact O-CB 3.24Å; T1011-T1015 PolarHBondContact O-N 3.23Å; T1011-T1015 PolarHBondContact O-OG1 2.84Å; T1011-A1079 HydrophobicContact CG2-CB 4.21Å; T1011-V1085 HydrophobicContact CG2-CG2 3.77Å
1012	M	91.4	Very high	90.5	Very high	23 Å²	23	42 Å²	42	11%	0.113	22%	0.216	C	C	.	.	H	α-helix	trans	-60.9	-46.7	172.5	-179.1	175.2	75.9	0	0	112.2	F915 L926 C999 F1002 D1008 Y1009 Q1010 V1014 T1015 V1016	F915-M1012 HydrophobicContact CE2-CE 4.45Å; L926-M1012 HydrophobicContact CD1-CE 3.83Å; C999-M1012 HydrophobicContact CB-SD 4.42Å; F1002-M1012 HydrophobicContact CD2-CB 3.67Å; F1002-M1012 HydrophobicContact CD2-CG 3.74Å; F1002-M1012 HydrophobicContact CD2-SD 4.41Å; F1002-M1012 HydrophobicContact CE2-CB 4.02Å; F1002-M1012 HydrophobicContact CE2-CG 4.2Å; D1008-M1012 PolarHBondContact O-N 3.41Å; D1008-M1012 VanDerWaalsContact O-N 3.15Å; Y1009-M1012 WeakPolarHBondContact O-CB 3.45Å; Y1009-M1012 PolarHBondContact O-N 3Å; Q1010-M1012 VanDerWaalsContact C-N 3.28Å; Q1010-M1012 PolarHBondContact O-N 2.91Å; M1012-V1014 PolarHBondContact O-N 3.38Å; M1012-T1015 WeakPolarHBondContact O-CB 3.43Å; M1012-T1015 PolarHBondContact O-N 3.01Å; M1012-T1015 VanDerWaalsContact O-N 3.16Å; M1012-V1016 HydrophobicContact CG-CG2 4.28Å; M1012-V1016 VanDerWaalsContact O-CG2 3.29Å; M1012-V1016 WeakPolarHBondContact O-CG2 3.05Å; M1012-V1016 PolarHBondContact O-N 3.36Å
1013	A	92.4	Very high	90.8	Very high	2 Å²	2	41.1 Å²	41.1	2%	0.017	21%	0.212	C	C	.	.	H	α-helix	trans	-60.5	-42	178.4	0	0	0	0	0	112.6	L926 Y1009 Q1010 V1016 S1017 F1072	L926-A1013 WeakPolarHBondContact O-CB 3.3Å; Y1009-A1013 WeakPolarHBondContact O-CB 3.34Å; Y1009-A1013 PolarHBondContact O-N 3.43Å; Q1010-A1013 WeakPolarHBondContact O-CB 3.28Å; Q1010-A1013 PolarHBondContact O-N 3.15Å; A1013-V1016 PolarHBondContact O-N 3.23Å; A1013-S1017 WeakPolarHBondContact O-CB 3.36Å; A1013-S1017 PolarHBondContact O-N 3.41Å; A1013-S1017 PolarHBondContact O-OG 3.23Å; A1013-F1072 HydrophobicContact CB-CE1 3.89Å; A1013-F1072 HydrophobicContact CB-CZ 3.87Å
1014	V	92.8	Very high	91.1	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.018	18%	0.177	C	C	.	.	H	α-helix	trans	-62.8	-44.1	173.9	175.4	0	0	0	0	110.6	Q1010 T1011 M1012 V1016 S1017 M1018 F1072 V1075 A1079 F1080	Q1010-V1014 WeakPolarHBondContact O-CG2 3.39Å; Q1010-V1014 PolarHBondContact O-N 3.29Å; T1011-V1014 PolarHBondContact O-N 3.21Å; M1012-V1014 PolarHBondContact O-N 3.38Å; V1014-V1016 PolarHBondContact O-N 3.17Å; V1014-S1017 WeakPolarHBondContact CA-OG 3.39Å; V1014-S1017 PolarHBondContact O-N 3.13Å; V1014-S1017 PolarHBondContact O-OG 3.02Å; V1014-M1018 WeakPolarHBondContact O-CB 3.43Å; V1014-M1018 PolarHBondContact O-N 3.42Å; V1014-F1072 HydrophobicContact CG2-CD1 4.25Å; V1014-F1072 HydrophobicContact CG2-CE1 4.27Å; V1014-V1075 HydrophobicContact CG2-CG1 3.88Å; V1014-A1079 HydrophobicContact CG1-CB 4.11Å; V1014-F1080 HydrophobicContact CG1-CE1 4.05Å
1015	T	93.7	Very high	91.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.7	-45.1	177.7	-52.6	0	0	0	0	111.8	F1002 T1011 M1012 M1018 A1019 V1085 T1088 A1089	F1002-T1015 HydrophobicContact CE2-CG2 3.99Å; F1002-T1015 HydrophobicContact CZ-CG2 4.01Å; F1002-T1015 WeakPolarHBondContact CZ-OG1 3.48Å; T1011-T1015 WeakPolarHBondContact O-CB 3.24Å; T1011-T1015 PolarHBondContact O-N 3.23Å; T1011-T1015 PolarHBondContact O-OG1 2.84Å; M1012-T1015 WeakPolarHBondContact O-CB 3.43Å; M1012-T1015 PolarHBondContact O-N 3.01Å; M1012-T1015 VanDerWaalsContact O-N 3.16Å; T1015-M1018 PolarHBondContact O-N 3.17Å; T1015-A1019 WeakPolarHBondContact O-CB 3.16Å; T1015-A1019 PolarHBondContact O-N 3.1Å; T1015-V1085 HydrophobicContact CG2-CG1 4.36Å; T1015-T1088 HydrophobicContact CG2-CG2 3.92Å; T1015-A1089 HydrophobicContact CG2-CB 4.27Å
1016	V	94.8	Very high	91.9	Very high	1 Å²	1	25 Å²	25	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-66.7	-41.1	177.9	179.3	0	0	0	0	110.9	V911 L926 Y927 P998 M1012 A1013 V1014 M1018 A1019 A1020	V911-V1016 HydrophobicContact CG1-CG1 4.36Å; L926-V1016 HydrophobicContact CD2-CB 4.36Å; L926-V1016 HydrophobicContact CD2-CG1 4.03Å; L926-V1016 HydrophobicContact CD2-CG2 4.31Å; Y927-V1016 HydrophobicContact CE1-CB 4.42Å; Y927-V1016 HydrophobicContact CE1-CG1 3.82Å; P998-V1016 HydrophobicContact CB-CG2 3.82Å; P998-V1016 HydrophobicContact CG-CG2 3.87Å; M1012-V1016 HydrophobicContact CG-CG2 4.28Å; M1012-V1016 VanDerWaalsContact O-CG2 3.29Å; M1012-V1016 WeakPolarHBondContact O-CG2 3.05Å; M1012-V1016 PolarHBondContact O-N 3.36Å; A1013-V1016 PolarHBondContact O-N 3.23Å; V1014-V1016 PolarHBondContact O-N 3.17Å; V1016-M1018 VanDerWaalsContact C-N 3.34Å; V1016-M1018 PolarHBondContact O-N 3.1Å; V1016-A1019 PolarHBondContact O-N 3.2Å; V1016-A1020 WeakPolarHBondContact O-CB 3.47Å; V1016-A1020 PolarHBondContact O-N 2.96Å
1017	S	93.4	Very high	92.3	Very high	8 Å²	8	19.8 Å²	19.8	6%	0.056	10%	0.096	C	C	.	.	H	α-helix	trans	-63.5	-38.2	176.8	72.1	0	0	0	0	113	F931 A1013 V1014 T1021	F931-S1017 WeakPolarHBondContact CZ-O 3.43Å; A1013-S1017 WeakPolarHBondContact O-CB 3.36Å; A1013-S1017 PolarHBondContact O-N 3.41Å; A1013-S1017 PolarHBondContact O-OG 3.23Å; V1014-S1017 WeakPolarHBondContact CA-OG 3.39Å; V1014-S1017 PolarHBondContact O-N 3.13Å; V1014-S1017 PolarHBondContact O-OG 3.02Å; S1017-T1021 PolarHBondContact O-N 3.23Å; S1017-T1021 PolarHBondContact O-OG1 2.68Å
1018	M	94	Very high	92.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-67.7	-46.7	174.7	-175.7	173	176.1	0	0	111.3	V1014 T1015 V1016 A1020 T1021 F1022 F1050 F1051 F1080 W1086 A1089	V1014-M1018 WeakPolarHBondContact O-CB 3.43Å; V1014-M1018 PolarHBondContact O-N 3.42Å; T1015-M1018 PolarHBondContact O-N 3.17Å; V1016-M1018 VanDerWaalsContact C-N 3.34Å; V1016-M1018 PolarHBondContact O-N 3.1Å; M1018-A1020 VanDerWaalsContact C-N 3.35Å; M1018-A1020 PolarHBondContact O-N 3.19Å; M1018-T1021 PolarHBondContact O-N 3.17Å; M1018-F1022 HydrophobicContact CE-CE2 3.44Å; M1018-F1022 VanDerWaalsContact CE-CE2 3.44Å; M1018-F1022 HydrophobicContact CE-CZ 3.64Å; M1018-F1022 HydrophobicContact CG-CD2 4.19Å; M1018-F1022 HydrophobicContact CG-CE2 3.81Å; M1018-F1022 HydrophobicContact CG-CZ 4.09Å; M1018-F1022 WeakPolarHBondContact O-CG 3.21Å; M1018-F1022 PolarHBondContact O-N 3.25Å; M1018-F1022 HydrophobicContact SD-CE2 4.47Å; M1018-F1050 HydrophobicContact CB-CE1 4.11Å; M1018-F1050 HydrophobicContact CB-CZ 4.05Å; M1018-F1050 HydrophobicContact CG-CE1 4.17Å; M1018-F1051 HydrophobicContact CE-CE1 4.21Å; M1018-F1051 HydrophobicContact CE-CZ 4.09Å; M1018-F1080 HydrophobicContact SD-CE1 4.41Å; M1018-W1086 HydrophobicContact CE-CD2 3.56Å; M1018-W1086 HydrophobicContact CE-CE3 3.18Å; M1018-W1086 HydrophobicContact CE-CG 4.4Å; M1018-W1086 HydrophobicContact CE-CH2 3.56Å; M1018-W1086 HydrophobicContact CE-CZ2 3.91Å; M1018-W1086 HydrophobicContact CE-CZ3 3.18Å; M1018-A1089 HydrophobicContact CB-CB 4.26Å; M1018-A1089 HydrophobicContact CG-CB 3.96Å; M1018-A1089 HydrophobicContact SD-CB 4.09Å
1019	A	95.1	Very high	92.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59.8	-42.5	175.2	0	0	0	0	0	112.2	L994 T1015 V1016 F1022 A1023 A1089 T1092	L994-A1019 HydrophobicContact CD2-CB 3.96Å; T1015-A1019 WeakPolarHBondContact O-CB 3.16Å; T1015-A1019 PolarHBondContact O-N 3.1Å; V1016-A1019 PolarHBondContact O-N 3.2Å; A1019-F1022 PolarHBondContact O-N 3.09Å; A1019-A1023 VanDerWaalsContact O-CB 3.28Å; A1019-A1023 WeakPolarHBondContact O-CB 3.16Å; A1019-A1023 PolarHBondContact O-N 2.97Å; A1019-A1089 HydrophobicContact CB-CB 4.35Å; A1019-T1092 HydrophobicContact CB-CG2 3.9Å
1020	A	94	Very high	92.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.1	-44.9	177.6	0	0	0	0	0	111.9	L994 V1016 M1018 V1024	L994-A1020 HydrophobicContact CD1-CB 3.81Å; L994-A1020 HydrophobicContact CD2-CB 4.15Å; V1016-A1020 WeakPolarHBondContact O-CB 3.47Å; V1016-A1020 PolarHBondContact O-N 2.96Å; M1018-A1020 VanDerWaalsContact C-N 3.35Å; M1018-A1020 PolarHBondContact O-N 3.19Å; A1020-V1024 WeakPolarHBondContact O-CB 3.33Å; A1020-V1024 WeakPolarHBondContact O-CG2 3.28Å; A1020-V1024 PolarHBondContact O-N 3Å; A1020-V1024 VanDerWaalsContact O-N 3.13Å
1021	T	93.4	Very high	92.8	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.006	8%	0.075	C	C	.	.	H	α-helix	trans	-62.2	-47.1	176.9	-56.1	0	0	0	0	110.6	S1017 M1018 V1024 T1025 F1050	S1017-T1021 PolarHBondContact O-N 3.23Å; S1017-T1021 PolarHBondContact O-OG1 2.68Å; M1018-T1021 PolarHBondContact O-N 3.17Å; T1021-V1024 PolarHBondContact O-N 3.35Å; T1021-T1025 VanDerWaalsContact O-CG2 3.24Å; T1021-T1025 WeakPolarHBondContact O-CG2 3.42Å; T1021-T1025 PolarHBondContact O-N 2.92Å; T1021-T1025 PolarHBondContact O-OG1 3.42Å; T1021-F1050 HydrophobicContact CG2-CB 4.32Å; T1021-F1050 HydrophobicContact CG2-CG 4.26Å
1022	F	94.3	Very high	92.8	Very high	25 Å²	25	13.1 Å²	13.1	11%	0.11	7%	0.074	C	C	.	.	H	α-helix	trans	-63.3	-48.6	177.5	-70.7	-13	0	0	0	113.1	M1018 A1019 V1024 T1025 V1026 V1047 F1051 W1086 L1090 A1093	M1018-F1022 HydrophobicContact CE-CE2 3.44Å; M1018-F1022 VanDerWaalsContact CE-CE2 3.44Å; M1018-F1022 HydrophobicContact CE-CZ 3.64Å; M1018-F1022 HydrophobicContact CG-CD2 4.19Å; M1018-F1022 HydrophobicContact CG-CE2 3.81Å; M1018-F1022 HydrophobicContact CG-CZ 4.09Å; M1018-F1022 WeakPolarHBondContact O-CG 3.21Å; M1018-F1022 PolarHBondContact O-N 3.25Å; M1018-F1022 HydrophobicContact SD-CE2 4.47Å; A1019-F1022 PolarHBondContact O-N 3.09Å; F1022-V1024 VanDerWaalsContact C-N 3.28Å; F1022-V1024 PolarHBondContact O-N 3.17Å; F1022-T1025 WeakPolarHBondContact CA-OG1 3.45Å; F1022-T1025 PolarHBondContact O-N 3.33Å; F1022-T1025 VanDerWaalsContact O-N 3.14Å; F1022-T1025 PolarHBondContact O-OG1 3.46Å; F1022-V1026 WeakPolarHBondContact O-CG2 3.03Å; F1022-V1026 PolarHBondContact O-N 3Å; F1022-V1047 HydrophobicContact CE1-CG1 4.18Å; F1022-F1051 HydrophobicContact CE1-CE2 4.45Å; F1022-F1051 HydrophobicContact CE1-CZ 4.36Å; F1022-F1051 HydrophobicContact CZ-CE2 4.45Å; F1022-F1051 AromaticContact CZ-CZ 3.98Å; F1022-F1051 HydrophobicContact CZ-CZ 3.98Å; F1022-W1086 HydrophobicContact CE2-CZ3 4.45Å; F1022-W1086 HydrophobicContact CZ-CZ3 4.26Å; F1022-L1090 HydrophobicContact CD2-CD2 4.08Å; F1022-L1090 HydrophobicContact CE2-CD2 4.13Å; F1022-A1093 HydrophobicContact CB-CB 3.7Å
1023	A	94.3	Very high	92.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-54.7	-45.8	178.6	0	0	0	0	0	111.7	M990 A1019 V1026 E1027 A1093 A1096 V1097	M990-A1023 HydrophobicContact CE-CB 4.03Å; A1019-A1023 VanDerWaalsContact O-CB 3.28Å; A1019-A1023 WeakPolarHBondContact O-CB 3.16Å; A1019-A1023 PolarHBondContact O-N 2.97Å; A1023-V1026 PolarHBondContact O-N 3.04Å; A1023-E1027 WeakPolarHBondContact O-CB 3.46Å; A1023-E1027 PolarHBondContact O-N 3.45Å; A1023-A1093 HydrophobicContact CB-CB 4.27Å; A1023-A1096 HydrophobicContact CB-CB 4.12Å; A1023-V1097 HydrophobicContact CB-CG2 4.09Å; A1023-V1097 VanDerWaalsContact O-CG2 3.3Å; A1023-V1097 WeakPolarHBondContact O-CG2 3.46Å
1024	V	93.4	Very high	92.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-70.8	-35.7	-179.2	171.5	0	0	0	0	111.7	Y900 F903 K904 Y935 T940 M990 A1020 T1021 F1022 I1028	Y900-V1024 HydrophobicContact CE1-CG1 4.12Å; Y900-V1024 HydrophobicContact CE2-CG1 4.43Å; Y900-V1024 WeakPolarHBondContact OH-CG1 3.45Å; Y900-V1024 PolarHBondContact OH-O 3.08Å; F903-V1024 HydrophobicContact CE1-CG2 4.44Å; K904-V1024 HydrophobicContact CB-CG1 3.93Å; K904-V1024 HydrophobicContact CB-CG2 4.08Å; Y935-V1024 WeakPolarHBondContact OH-CG2 3.49Å; T940-V1024 HydrophobicContact CG2-CG1 3.76Å; M990-V1024 HydrophobicContact CE-CG2 3.69Å; A1020-V1024 WeakPolarHBondContact O-CB 3.33Å; A1020-V1024 WeakPolarHBondContact O-CG2 3.28Å; A1020-V1024 PolarHBondContact O-N 3Å; A1020-V1024 VanDerWaalsContact O-N 3.13Å; T1021-V1024 PolarHBondContact O-N 3.35Å; F1022-V1024 VanDerWaalsContact C-N 3.28Å; F1022-V1024 PolarHBondContact O-N 3.17Å; V1024-I1028 PolarHBondContact O-N 2.88Å; V1024-I1028 VanDerWaalsContact O-N 3.16Å
1025	T	92.9	Very high	92.4	Very high	17 Å²	17	28 Å²	28	10%	0.104	13%	0.132	C	C	.	.	H	α-helix	trans	-67.4	-39.2	172.5	59.3	0	0	0	0	113.1	T1021 F1022 I1028 V1029 V1047	T1021-T1025 VanDerWaalsContact O-CG2 3.24Å; T1021-T1025 WeakPolarHBondContact O-CG2 3.42Å; T1021-T1025 PolarHBondContact O-N 2.92Å; T1021-T1025 PolarHBondContact O-OG1 3.42Å; F1022-T1025 WeakPolarHBondContact CA-OG1 3.45Å; F1022-T1025 PolarHBondContact O-N 3.33Å; F1022-T1025 VanDerWaalsContact O-N 3.14Å; F1022-T1025 PolarHBondContact O-OG1 3.46Å; T1025-I1028 WeakPolarHBondContact O-CG2 3.32Å; T1025-I1028 PolarHBondContact O-N 2.89Å; T1025-V1029 WeakPolarHBondContact O-CG2 3.49Å; T1025-V1029 PolarHBondContact O-N 2.94Å; T1025-V1047 HydrophobicContact CG2-CG2 4.01Å
1026	V	92.7	Very high	92.3	Very high	51 Å²	51	28.9 Å²	28.9	31%	0.309	14%	0.138	S	C	.	.	H	α-helix	trans	-69.3	-39.9	176.6	176.6	0	0	0	0	110.5	F1022 A1023 I1028 V1029 I1030 V1097	F1022-V1026 WeakPolarHBondContact O-CG2 3.03Å; F1022-V1026 PolarHBondContact O-N 3Å; A1023-V1026 PolarHBondContact O-N 3.04Å; V1026-I1028 VanDerWaalsContact C-N 3.34Å; V1026-I1028 PolarHBondContact O-N 3.43Å; V1026-V1029 WeakPolarHBondContact O-CB 3.47Å; V1026-V1029 PolarHBondContact O-N 3.24Å; V1026-I1030 HydrophobicContact CG1-CD1 3.98Å; V1026-I1030 WeakPolarHBondContact O-CG1 3.29Å; V1026-I1030 PolarHBondContact O-N 2.88Å; V1026-V1097 HydrophobicContact CB-CG2 4.39Å; V1026-V1097 HydrophobicContact CG1-CB 4.49Å; V1026-V1097 HydrophobicContact CG1-CG1 3.98Å; V1026-V1097 HydrophobicContact CG1-CG2 4.48Å
1027	E	92.8	Very high	92.3	Very high	1 Å²	1	38 Å²	38	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-60.5	-42.4	176.5	-174.9	67.6	-149	0	0	111.8	Y900 F903 Y986 A1023 V1029 I1030 L1031 S1100	Y900-E1027 HydrophobicContact CD2-CG 4.21Å; Y900-E1027 HydrophobicContact CE2-CB 4.13Å; Y900-E1027 HydrophobicContact CE2-CG 4.05Å; F903-E1027 HydrophobicContact CD1-CG 4.19Å; F903-E1027 HydrophobicContact CE1-CB 4.09Å; F903-E1027 HydrophobicContact CE1-CG 3.77Å; F903-E1027 HydrophobicContact CZ-CG 4.46Å; Y986-E1027 PolarHBondContact OH-OE2 3.48Å; A1023-E1027 WeakPolarHBondContact O-CB 3.46Å; A1023-E1027 PolarHBondContact O-N 3.45Å; E1027-V1029 VanDerWaalsContact C-N 3.33Å; E1027-V1029 PolarHBondContact O-N 3.11Å; E1027-I1030 PolarHBondContact O-N 2.9Å; E1027-L1031 HydrophobicContact CG-CD1 4.1Å; E1027-L1031 WeakPolarHBondContact O-CG 3.49Å; E1027-L1031 PolarHBondContact O-N 3.5Å; E1027-S1100 WeakPolarHBondContact OE1-CB 3.29Å; E1027-S1100 PolarHBondContact OE1-OG 3.28Å; E1027-S1100 WeakPolarHBondContact OE2-CB 3.19Å; E1027-S1100 PolarHBondContact OE2-OG 3.19Å
1028	I	92.1	Very high	92.2	Very high	3 Å²	3	44 Å²	44	2%	0.015	20%	0.203	C	C	.	.	H	α-helix	trans	-68.8	-33.2	178.1	-167.5	168.9	0	0	0	112.3	Y900 P943 V944 M947 V1024 T1025 V1026 I1030 L1031 T1032 L1043	Y900-I1028 HydrophobicContact CE2-CB 3.67Å; Y900-I1028 HydrophobicContact CE2-CG1 4.41Å; Y900-I1028 WeakPolarHBondContact OH-CB 3.46Å; P943-I1028 HydrophobicContact CB-CD1 3.7Å; P943-I1028 HydrophobicContact CB-CG2 4.49Å; P943-I1028 WeakPolarHBondContact O-CD1 3.3Å; V944-I1028 HydrophobicContact CB-CD1 4.42Å; V944-I1028 HydrophobicContact CG2-CD1 3.86Å; M947-I1028 HydrophobicContact CB-CD1 4.12Å; M947-I1028 HydrophobicContact CB-CG1 4.44Å; V1024-I1028 PolarHBondContact O-N 2.88Å; V1024-I1028 VanDerWaalsContact O-N 3.16Å; T1025-I1028 WeakPolarHBondContact O-CG2 3.32Å; T1025-I1028 PolarHBondContact O-N 2.89Å; V1026-I1028 VanDerWaalsContact C-N 3.34Å; V1026-I1028 PolarHBondContact O-N 3.43Å; I1028-I1030 VanDerWaalsContact C-N 3.31Å; I1028-I1030 PolarHBondContact O-N 3.49Å; I1028-L1031 PolarHBondContact O-N 3.18Å; I1028-T1032 WeakPolarHBondContact O-CB 3.15Å; I1028-T1032 PolarHBondContact O-N 3.46Å; I1028-T1032 PolarHBondContact O-OG1 3.33Å; I1028-L1043 HydrophobicContact CG2-CD2 3.57Å
1029	V	92.1	Very high	92.1	Very high	61 Å²	61	44.3 Å²	44.3	37%	0.37	20%	0.204	S	C	.	.	H	α-helix	trans	-60.2	-43.3	172.8	170.3	0	0	0	0	110	T1025 V1026 E1027 W1035 L1043	T1025-V1029 WeakPolarHBondContact O-CG2 3.49Å; T1025-V1029 PolarHBondContact O-N 2.94Å; V1026-V1029 WeakPolarHBondContact O-CB 3.47Å; V1026-V1029 PolarHBondContact O-N 3.24Å; E1027-V1029 VanDerWaalsContact C-N 3.33Å; E1027-V1029 PolarHBondContact O-N 3.11Å; V1029-W1035 HydrophobicContact CB-CH2 4.13Å; V1029-W1035 HydrophobicContact CB-CZ2 4.21Å; V1029-W1035 HydrophobicContact CG1-CH2 3.9Å; V1029-W1035 HydrophobicContact CG1-CZ2 3.73Å; V1029-W1035 HydrophobicContact CG2-CH2 3.94Å; V1029-L1043 HydrophobicContact CG2-CD1 3.94Å; V1029-L1043 HydrophobicContact CG2-CD2 4.42Å
1030	I	90.3	Very high	92	Very high	44 Å²	44	48.5 Å²	48.5	23%	0.226	23%	0.226	C	C	.	.	H	α-helix	trans	-68.3	-37	178.9	-67.1	162	0	0	0	112.1	V1026 E1027 I1028 V1097 V1101	V1026-I1030 HydrophobicContact CG1-CD1 3.98Å; V1026-I1030 WeakPolarHBondContact O-CG1 3.29Å; V1026-I1030 PolarHBondContact O-N 2.88Å; E1027-I1030 PolarHBondContact O-N 2.9Å; I1028-I1030 VanDerWaalsContact C-N 3.31Å; I1028-I1030 PolarHBondContact O-N 3.49Å; I1030-V1097 HydrophobicContact CD1-CG1 3.35Å; I1030-V1101 HydrophobicContact CD1-CG2 3.49Å; I1030-V1101 VanDerWaalsContact CD1-CG2 3.49Å
1031	L	88.2	Confident	92	Very high	26 Å²	26	50.8 Å²	50.8	14%	0.136	25%	0.245	C	C	.	.	H	α-helix	trans	-75.8	-29.4	-179	-70.3	172.5	0	0	0	113.2	Y900 E1027 I1028 K1033	Y900-L1031 HydrophobicContact CD2-CD1 3.58Å; Y900-L1031 HydrophobicContact CE2-CD1 4.39Å; Y900-L1031 HydrophobicContact CG-CD1 4.37Å; E1027-L1031 HydrophobicContact CG-CD1 4.1Å; E1027-L1031 WeakPolarHBondContact O-CG 3.49Å; E1027-L1031 PolarHBondContact O-N 3.5Å; I1028-L1031 PolarHBondContact O-N 3.18Å; L1031-K1033 PolarHBondContact O-N 3.27Å
1032	T	89.9	Confident	91.9	Very high	10 Å²	10	51 Å²	51	6%	0.061	25%	0.247	C	C	.	.			trans	-74.7	117	-177.8	-57.8	0	0	0	0	110.4	I1028 Y1034 W1035	I1028-T1032 WeakPolarHBondContact O-CB 3.15Å; I1028-T1032 PolarHBondContact O-N 3.46Å; I1028-T1032 PolarHBondContact O-OG1 3.33Å; T1032-Y1034 WeakPolarHBondContact CG2-O 3.36Å; T1032-W1035 HydrophobicContact CG2-CD2 4.4Å; T1032-W1035 HydrophobicContact CG2-CZ2 4.44Å; T1032-W1035 PolarHBondContact O-NE1 3.19Å
1033	K	87.4	Confident	91.8	Very high	121 Å²	121	51 Å²	51	53%	0.526	25%	0.248	S	C	.	.			trans	-92.6	-33.8	176.9	-61.9	-174.2	173.5	-163.7	0	112.6	E951 L1031	E951-K1033 VanDerWaalsContact OE1-CB 3.27Å; E951-K1033 WeakPolarHBondContact OE1-CB 3.37Å; E951-K1033 WeakPolarHBondContact OE1-CG 3.13Å; E951-K1033 PolarHBondContact OE1-N 3.32Å; E951-K1033 PolarHBondContact OE2-N 2.99Å; L1031-K1033 PolarHBondContact O-N 3.27Å
1034	Y	89.6	Confident	91.8	Very high	108 Å²	108	54.7 Å²	54.7	42%	0.424	27%	0.272	S	S	.	.	S	Bend	trans	-109.2	113	-176.9	-174.6	-108.8	0	0	0	111.1	F950 E951 Q952 T1032 T1036 N1039	F950-Y1034 WeakPolarHBondContact O-CD1 3.47Å; E951-Y1034 PolarHBondContact OE2-N 3.09Å; Q952-Y1034 HydrophobicContact CB-CD1 4.44Å; Q952-Y1034 HydrophobicContact CB-CG 4.28Å; Q952-Y1034 WeakPolarHBondContact O-CB 3.43Å; T1032-Y1034 WeakPolarHBondContact CG2-O 3.36Å; Y1034-T1036 HydrophobicContact CD1-CG2 3.7Å; Y1034-T1036 HydrophobicContact CE1-CG2 3.39Å; Y1034-N1039 PolarHBondContact O-ND2 3.01Å
1035	W	91.9	Very high	91.7	Very high	110 Å²	110	58.5 Å²	58.5	42%	0.417	30%	0.296	S	S	.	.			trans	-92.6	115.5	-175.7	-74.3	88.2	0	0	0	111.4	V1029 T1032 N1039 I1040 L1043	V1029-W1035 HydrophobicContact CB-CH2 4.13Å; V1029-W1035 HydrophobicContact CB-CZ2 4.21Å; V1029-W1035 HydrophobicContact CG1-CH2 3.9Å; V1029-W1035 HydrophobicContact CG1-CZ2 3.73Å; V1029-W1035 HydrophobicContact CG2-CH2 3.94Å; T1032-W1035 HydrophobicContact CG2-CD2 4.4Å; T1032-W1035 HydrophobicContact CG2-CZ2 4.44Å; T1032-W1035 PolarHBondContact O-NE1 3.19Å; W1035-N1039 HydrophobicContact CE3-CB 4.47Å; W1035-I1040 HydrophobicContact CE3-CG1 3.74Å; W1035-I1040 HydrophobicContact CZ3-CG1 4.1Å; W1035-L1043 HydrophobicContact CH2-CD1 3.58Å; W1035-L1043 HydrophobicContact CZ3-CD1 3.5Å; W1035-L1043 VanDerWaalsContact CZ3-CD1 3.5Å
1036	T	91.9	Very high	91.6	Very high	20 Å²	20	57.9 Å²	57.9	12%	0.123	29%	0.292	C	S	.	.			trans	-107.9	160.2	172.3	65.7	0	0	0	0	110.8	F950 Y1034 F1038 N1039 I1040	F950-T1036 HydrophobicContact CB-CG2 4.01Å; F950-T1036 HydrophobicContact CG-CG2 4.46Å; Y1034-T1036 HydrophobicContact CD1-CG2 3.7Å; Y1034-T1036 HydrophobicContact CE1-CG2 3.39Å; T1036-F1038 PolarHBondContact O-N 2.82Å; T1036-N1039 PolarHBondContact O-N 2.94Å; T1036-N1039 VanDerWaalsContact O-N 3.08Å; T1036-N1039 PolarHBondContact OG1-N 3.01Å; T1036-N1039 VanDerWaalsContact OG1-N 3.11Å; T1036-N1039 PolarHBondContact OG1-ND2 2.89Å; T1036-N1039 PolarHBondContact OG1-OD1 3.06Å; T1036-I1040 PolarHBondContact O-N 3.05Å; T1036-I1040 VanDerWaalsContact O-N 3.17Å
1037	K	93.7	Very high	91.6	Very high	192 Å²	192	57.3 Å²	57.3	84%	0.835	29%	0.288	S	S	*	.	H	α-helix	trans	-55.4	-35.3	172.3	-61.6	-179.3	-176.6	179	0	111.6	A1041	K1037-A1041 WeakPolarHBondContact O-CB 3.38Å; K1037-A1041 PolarHBondContact O-N 2.98Å
1038	F	92.3	Very high	91.6	Very high	134 Å²	134	61 Å²	61	59%	0.588	31%	0.311	S	S	*	.	H	α-helix	trans	-67.8	-40.5	176.3	-60.4	-66.8	0	0	0	112.8	F950 T1036 A1041 A1042	F950-F1038 HydrophobicContact CD2-CB 4.23Å; F950-F1038 HydrophobicContact CE2-CB 3.87Å; F950-F1038 AromaticContact CE2-CD2 3.99Å; F950-F1038 HydrophobicContact CE2-CD2 3.99Å; F950-F1038 HydrophobicContact CE2-CG 4.1Å; F950-F1038 AromaticContact CZ-CD2 3.95Å; F950-F1038 HydrophobicContact CZ-CD2 3.95Å; F950-F1038 HydrophobicContact CZ-CE2 4.47Å; F950-F1038 HydrophobicContact CZ-CG 4.42Å; T1036-F1038 PolarHBondContact O-N 2.82Å; F1038-A1041 PolarHBondContact O-N 3.49Å; F1038-A1042 VanDerWaalsContact O-CB 3.23Å; F1038-A1042 WeakPolarHBondContact O-CB 3.35Å; F1038-A1042 PolarHBondContact O-N 3.43Å
1039	N	91.5	Very high	91.5	Very high	6 Å²	6	64.5 Å²	64.5	3%	0.032	33%	0.328	C	S	.	.	H	α-helix	trans	-62.2	-44.7	176.6	-69.5	-14.5	0	0	0	111.1	C946 Y1034 W1035 T1036 A1042 L1043	C946-N1039 VanDerWaalsContact CB-OD1 3.3Å; C946-N1039 WeakPolarHBondContact CB-OD1 3.43Å; C946-N1039 PolarHBondContact O-OD1 2.84Å; Y1034-N1039 PolarHBondContact O-ND2 3.01Å; W1035-N1039 HydrophobicContact CE3-CB 4.47Å; T1036-N1039 PolarHBondContact O-N 2.94Å; T1036-N1039 VanDerWaalsContact O-N 3.08Å; T1036-N1039 PolarHBondContact OG1-N 3.01Å; T1036-N1039 VanDerWaalsContact OG1-N 3.11Å; T1036-N1039 PolarHBondContact OG1-ND2 2.89Å; T1036-N1039 PolarHBondContact OG1-OD1 3.06Å; N1039-A1042 PolarHBondContact O-N 3.43Å; N1039-L1043 WeakPolarHBondContact O-CG 3.36Å; N1039-L1043 PolarHBondContact O-N 3.48Å; N1039-L1043 VanDerWaalsContact O-N 3.12Å
1040	I	92.9	Very high	91.5	Very high	88 Å²	88	61.6 Å²	61.6	45%	0.451	31%	0.311	S	S	.	.	H	α-helix	trans	-63.8	-49.1	177.8	-60.6	171.8	0	0	0	110.2	W1035 T1036 A1042 L1043 C1044	W1035-I1040 HydrophobicContact CE3-CG1 3.74Å; W1035-I1040 HydrophobicContact CZ3-CG1 4.1Å; T1036-I1040 PolarHBondContact O-N 3.05Å; T1036-I1040 VanDerWaalsContact O-N 3.17Å; I1040-A1042 VanDerWaalsContact C-N 3.33Å; I1040-A1042 PolarHBondContact O-N 3.2Å; I1040-L1043 PolarHBondContact O-N 3.46Å; I1040-C1044 PolarHBondContact O-N 3.36Å; I1040-C1044 PolarHBondContact O-SG 2.88Å; I1040-C1044 VanDerWaalsContact O-SG 3.37Å
1041	A	93.6	Very high	91.6	Very high	49 Å²	49	61.7 Å²	61.7	41%	0.405	31%	0.309	S	S	.	.	H	α-helix	trans	-58.8	-43.7	178.2	0	0	0	0	0	112	K1037 F1038 L1043 C1044 V1045	K1037-A1041 WeakPolarHBondContact O-CB 3.38Å; K1037-A1041 PolarHBondContact O-N 2.98Å; F1038-A1041 PolarHBondContact O-N 3.49Å; A1041-L1043 VanDerWaalsContact C-N 3.34Å; A1041-L1043 PolarHBondContact O-N 3.26Å; A1041-C1044 PolarHBondContact O-N 2.85Å; A1041-V1045 WeakPolarHBondContact O-CB 3.22Å; A1041-V1045 VanDerWaalsContact O-CG2 3.23Å; A1041-V1045 WeakPolarHBondContact O-CG2 3.28Å; A1041-V1045 PolarHBondContact O-N 2.87Å
1042	A	92.6	Very high	91.8	Very high	6 Å²	6	64.2 Å²	64.2	5%	0.05	32%	0.322	C	S	.	.	H	α-helix	trans	-61.1	-40.3	178.5	0	0	0	0	0	112.8	V942 C946 F1038 N1039 I1040 S1046	V942-A1042 HydrophobicContact CG1-CB 3.93Å; C946-A1042 HydrophobicContact CB-CB 4.08Å; C946-A1042 VanDerWaalsContact SG-CB 3.58Å; F1038-A1042 VanDerWaalsContact O-CB 3.23Å; F1038-A1042 WeakPolarHBondContact O-CB 3.35Å; F1038-A1042 PolarHBondContact O-N 3.43Å; N1039-A1042 PolarHBondContact O-N 3.43Å; I1040-A1042 VanDerWaalsContact C-N 3.33Å; I1040-A1042 PolarHBondContact O-N 3.2Å; A1042-S1046 WeakPolarHBondContact O-CB 3.25Å; A1042-S1046 PolarHBondContact O-N 2.96Å
1043	L	92.8	Very high	91.9	Very high	24 Å²	24	64.8 Å²	64.8	13%	0.126	33%	0.327	C	S	.	.	H	α-helix	trans	-66.8	-46.2	176.1	-70.2	166.4	0	0	0	111.7	P943 I1028 V1029 W1035 N1039 I1040 A1041 V1045 S1046 V1047	P943-L1043 HydrophobicContact CB-CD2 3.81Å; P943-L1043 HydrophobicContact CB-CG 4.45Å; P943-L1043 HydrophobicContact CG-CD2 4.19Å; I1028-L1043 HydrophobicContact CG2-CD2 3.57Å; V1029-L1043 HydrophobicContact CG2-CD1 3.94Å; V1029-L1043 HydrophobicContact CG2-CD2 4.42Å; W1035-L1043 HydrophobicContact CH2-CD1 3.58Å; W1035-L1043 HydrophobicContact CZ3-CD1 3.5Å; W1035-L1043 VanDerWaalsContact CZ3-CD1 3.5Å; N1039-L1043 WeakPolarHBondContact O-CG 3.36Å; N1039-L1043 PolarHBondContact O-N 3.48Å; N1039-L1043 VanDerWaalsContact O-N 3.12Å; I1040-L1043 PolarHBondContact O-N 3.46Å; A1041-L1043 VanDerWaalsContact C-N 3.34Å; A1041-L1043 PolarHBondContact O-N 3.26Å; L1043-V1045 PolarHBondContact O-N 3.37Å; L1043-S1046 WeakPolarHBondContact O-CB 3.29Å; L1043-S1046 PolarHBondContact O-N 3.24Å; L1043-V1047 PolarHBondContact O-N 2.98Å; L1043-V1047 VanDerWaalsContact O-N 3.13Å
1044	C	92.4	Very high	92	Very high	77 Å²	77	59.2 Å²	59.2	52%	0.52	30%	0.302	S	S	.	.	H	α-helix	trans	-61	-46.5	177	-65.8	0	0	0	0	111.5	I1040 A1041 S1046 V1047 V1048	I1040-C1044 PolarHBondContact O-N 3.36Å; I1040-C1044 PolarHBondContact O-SG 2.88Å; I1040-C1044 VanDerWaalsContact O-SG 3.37Å; A1041-C1044 PolarHBondContact O-N 2.85Å; C1044-S1046 VanDerWaalsContact C-N 3.35Å; C1044-S1046 PolarHBondContact O-N 2.92Å; C1044-V1047 PolarHBondContact O-N 2.84Å; C1044-V1048 WeakPolarHBondContact O-CB 3.33Å; C1044-V1048 VanDerWaalsContact O-CG2 3.27Å; C1044-V1048 WeakPolarHBondContact O-CG2 3.31Å; C1044-V1048 PolarHBondContact O-N 3.49Å
1045	V	91.9	Very high	92.1	Very high	80 Å²	80	59.6 Å²	59.6	49%	0.485	30%	0.303	S	S	.	.	H	α-helix	trans	-61.5	-43.6	177.9	170.1	0	0	0	0	110.9	A1041 L1043 V1047 V1048 M1049	A1041-V1045 WeakPolarHBondContact O-CB 3.22Å; A1041-V1045 VanDerWaalsContact O-CG2 3.23Å; A1041-V1045 WeakPolarHBondContact O-CG2 3.28Å; A1041-V1045 PolarHBondContact O-N 2.87Å; L1043-V1045 PolarHBondContact O-N 3.37Å; V1045-V1047 PolarHBondContact O-N 2.89Å; V1045-V1048 PolarHBondContact O-N 3.49Å; V1045-M1049 HydrophobicContact CG1-CG 3.95Å; V1045-M1049 WeakPolarHBondContact O-CB 3.43Å; V1045-M1049 WeakPolarHBondContact O-CG 3.46Å; V1045-M1049 PolarHBondContact O-N 2.95Å
1046	S	92.2	Very high	92	Very high	4 Å²	4	58.7 Å²	58.7	3%	0.028	31%	0.306	C	S	.	.	H	α-helix	trans	-56.9	-49.6	177.9	163.4	0	0	0	0	112.6	Y939 A1042 L1043 C1044 F1050	Y939-S1046 WeakPolarHBondContact O-CB 3.36Å; Y939-S1046 PolarHBondContact O-OG 2.68Å; A1042-S1046 WeakPolarHBondContact O-CB 3.25Å; A1042-S1046 PolarHBondContact O-N 2.96Å; L1043-S1046 WeakPolarHBondContact O-CB 3.29Å; L1043-S1046 PolarHBondContact O-N 3.24Å; C1044-S1046 VanDerWaalsContact C-N 3.35Å; C1044-S1046 PolarHBondContact O-N 2.92Å; S1046-F1050 PolarHBondContact O-N 3.38Å
1047	V	91.4	Very high	91.8	Very high	39 Å²	39	58.2 Å²	58.2	24%	0.236	30%	0.303	C	S	.	.	H	α-helix	trans	-69	-45.2	-179.1	174.9	0	0	0	0	111.5	F1022 T1025 L1043 C1044 V1045 M1049 F1050 F1051	F1022-V1047 HydrophobicContact CE1-CG1 4.18Å; T1025-V1047 HydrophobicContact CG2-CG2 4.01Å; L1043-V1047 PolarHBondContact O-N 2.98Å; L1043-V1047 VanDerWaalsContact O-N 3.13Å; C1044-V1047 PolarHBondContact O-N 2.84Å; V1045-V1047 PolarHBondContact O-N 2.89Å; V1047-M1049 VanDerWaalsContact C-N 3.35Å; V1047-M1049 PolarHBondContact O-N 2.85Å; V1047-F1050 WeakPolarHBondContact O-CB 3.21Å; V1047-F1050 PolarHBondContact O-N 3.4Å; V1047-F1051 HydrophobicContact CG1-CD2 4.27Å; V1047-F1051 HydrophobicContact CG1-CE2 3.8Å; V1047-F1051 WeakPolarHBondContact O-CD2 3.37Å; V1047-F1051 PolarHBondContact O-N 2.91Å
1048	V	92.7	Very high	91.6	Very high	80 Å²	80	49.3 Å²	49.3	49%	0.485	26%	0.264	S	S	.	.	H	α-helix	trans	-63.8	-41.5	179.1	170.8	0	0	0	0	111.1	C1044 V1045 F1050 F1051 I1052	C1044-V1048 WeakPolarHBondContact O-CB 3.33Å; C1044-V1048 VanDerWaalsContact O-CG2 3.27Å; C1044-V1048 WeakPolarHBondContact O-CG2 3.31Å; C1044-V1048 PolarHBondContact O-N 3.49Å; V1045-V1048 PolarHBondContact O-N 3.49Å; V1048-F1050 VanDerWaalsContact C-N 3.31Å; V1048-F1050 PolarHBondContact O-N 2.92Å; V1048-F1051 PolarHBondContact O-N 2.91Å; V1048-I1052 HydrophobicContact CG1-CD1 3.63Å; V1048-I1052 HydrophobicContact CG1-CG1 4.27Å; V1048-I1052 WeakPolarHBondContact O-CG1 3.44Å; V1048-I1052 PolarHBondContact O-N 2.97Å
1049	M	90.4	Very high	91.5	Very high	75 Å²	75	44.5 Å²	44.5	37%	0.369	25%	0.247	S	C	.	.	H	α-helix	trans	-63.4	-35.5	178.4	-76.9	-66	-71.9	0	0	112.6	V1045 V1047 I1052 C1053	V1045-M1049 HydrophobicContact CG1-CG 3.95Å; V1045-M1049 WeakPolarHBondContact O-CB 3.43Å; V1045-M1049 WeakPolarHBondContact O-CG 3.46Å; V1045-M1049 PolarHBondContact O-N 2.95Å; V1047-M1049 VanDerWaalsContact C-N 3.35Å; V1047-M1049 PolarHBondContact O-N 2.85Å; M1049-I1052 PolarHBondContact O-N 3.39Å; M1049-C1053 VanDerWaalsContact O-CB 3.25Å; M1049-C1053 WeakPolarHBondContact O-CB 3.32Å; M1049-C1053 PolarHBondContact O-N 3.31Å; M1049-C1053 PolarHBondContact O-SG 2.91Å; M1049-C1053 VanDerWaalsContact O-SG 3.33Å
1050	F	92.6	Very high	91.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-56.6	-51.7	173.3	166	-104.6	0	0	0	111.2	F931 Y939 M1018 T1021 S1046 V1047 V1048 I1052 C1053 T1054	F931-F1050 HydrophobicContact CD2-CD2 4.22Å; F931-F1050 AromaticContact CD2-CE2 3.83Å; F931-F1050 HydrophobicContact CD2-CE2 3.83Å; F931-F1050 AromaticContact CE2-CD2 3.79Å; F931-F1050 HydrophobicContact CE2-CD2 3.79Å; F931-F1050 AromaticContact CE2-CE2 3.46Å; F931-F1050 HydrophobicContact CE2-CE2 3.46Å; F931-F1050 VanDerWaalsContact CE2-CE2 3.46Å; Y939-F1050 HydrophobicContact CD1-CB 4.38Å; Y939-F1050 HydrophobicContact CD2-CD2 4.24Å; Y939-F1050 HydrophobicContact CE1-CB 4.46Å; Y939-F1050 HydrophobicContact CE2-CD2 4.03Å; M1018-F1050 HydrophobicContact CB-CE1 4.11Å; M1018-F1050 HydrophobicContact CB-CZ 4.05Å; M1018-F1050 HydrophobicContact CG-CE1 4.17Å; T1021-F1050 HydrophobicContact CG2-CB 4.32Å; T1021-F1050 HydrophobicContact CG2-CG 4.26Å; S1046-F1050 PolarHBondContact O-N 3.38Å; V1047-F1050 WeakPolarHBondContact O-CB 3.21Å; V1047-F1050 PolarHBondContact O-N 3.4Å; V1048-F1050 VanDerWaalsContact C-N 3.31Å; V1048-F1050 PolarHBondContact O-N 2.92Å; F1050-I1052 PolarHBondContact O-N 3.47Å; F1050-C1053 PolarHBondContact O-N 2.85Å; F1050-T1054 WeakPolarHBondContact O-CB 3.41Å; F1050-T1054 PolarHBondContact O-N 3.14Å; F1050-T1054 PolarHBondContact O-OG1 3.33Å; F1050-T1054 VanDerWaalsContact O-OG1 3.06Å
1051	F	92.6	Very high	90.9	Very high	46 Å²	46	54.2 Å²	54.2	20%	0.202	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-42.6	179.7	-69.6	-72.3	0	0	0	112.9	M1018 F1022 V1047 V1048 R1055 F1080 W1086	M1018-F1051 HydrophobicContact CE-CE1 4.21Å; M1018-F1051 HydrophobicContact CE-CZ 4.09Å; F1022-F1051 HydrophobicContact CE1-CE2 4.45Å; F1022-F1051 HydrophobicContact CE1-CZ 4.36Å; F1022-F1051 HydrophobicContact CZ-CE2 4.45Å; F1022-F1051 AromaticContact CZ-CZ 3.98Å; F1022-F1051 HydrophobicContact CZ-CZ 3.98Å; V1047-F1051 HydrophobicContact CG1-CD2 4.27Å; V1047-F1051 HydrophobicContact CG1-CE2 3.8Å; V1047-F1051 WeakPolarHBondContact O-CD2 3.37Å; V1047-F1051 PolarHBondContact O-N 2.91Å; V1048-F1051 PolarHBondContact O-N 2.91Å; F1051-R1055 WeakPolarHBondContact O-CB 3.4Å; F1051-R1055 VanDerWaalsContact O-CG 3.26Å; F1051-R1055 WeakPolarHBondContact O-CG 3.37Å; F1051-R1055 PolarHBondContact O-N 2.9Å; F1051-F1080 HydrophobicContact CD1-CE1 4.1Å; F1051-F1080 AromaticContact CD1-CE2 3.96Å; F1051-F1080 HydrophobicContact CD1-CE2 3.96Å; F1051-F1080 AromaticContact CD1-CZ 3.74Å; F1051-F1080 HydrophobicContact CD1-CZ 3.74Å; F1051-F1080 HydrophobicContact CE1-CD1 4.4Å; F1051-F1080 HydrophobicContact CE1-CE1 4.01Å; F1051-F1080 HydrophobicContact CE1-CZ 4.13Å; F1051-W1086 AromaticContact CE1-CH2 3.89Å; F1051-W1086 HydrophobicContact CE1-CH2 3.89Å; F1051-W1086 HydrophobicContact CE1-CZ2 4.26Å; F1051-W1086 AromaticContact CZ-CH2 3.67Å; F1051-W1086 HydrophobicContact CZ-CH2 3.67Å; F1051-W1086 HydrophobicContact CZ-CZ2 4.48Å; F1051-W1086 HydrophobicContact CZ-CZ3 4.26Å
1052	I	92.2	Very high	90.5	Very high	80 Å²	80	54.3 Å²	54.3	41%	0.41	28%	0.281	S	S	.	.	H	α-helix	trans	-63.1	-50.3	178.9	-67.3	173	0	0	0	110.4	V1048 M1049 F1050 R1055 I1056	V1048-I1052 HydrophobicContact CG1-CD1 3.63Å; V1048-I1052 HydrophobicContact CG1-CG1 4.27Å; V1048-I1052 WeakPolarHBondContact O-CG1 3.44Å; V1048-I1052 PolarHBondContact O-N 2.97Å; M1049-I1052 PolarHBondContact O-N 3.39Å; F1050-I1052 PolarHBondContact O-N 3.47Å; I1052-R1055 PolarHBondContact O-N 3.31Å; I1052-I1056 HydrophobicContact CG2-CD1 3.75Å; I1052-I1056 VanDerWaalsContact O-CG1 3.29Å; I1052-I1056 WeakPolarHBondContact O-CG1 3.46Å; I1052-I1056 PolarHBondContact O-N 3.49Å
1053	C	90.8	Very high	90.3	Very high	22 Å²	22	57.2 Å²	57.2	15%	0.149	29%	0.293	C	S	.	.	H	α-helix	trans	-64.4	-43.3	-178.4	-71.8	0	0	0	0	111.8	L934 Y939 M1049 F1050 R1055 I1056 T1057	L934-C1053 HydrophobicContact CD1-CB 4.11Å; Y939-C1053 HydrophobicContact CE1-CB 3.94Å; Y939-C1053 WeakPolarHBondContact OH-CB 3.48Å; M1049-C1053 VanDerWaalsContact O-CB 3.25Å; M1049-C1053 WeakPolarHBondContact O-CB 3.32Å; M1049-C1053 PolarHBondContact O-N 3.31Å; M1049-C1053 PolarHBondContact O-SG 2.91Å; M1049-C1053 VanDerWaalsContact O-SG 3.33Å; F1050-C1053 PolarHBondContact O-N 2.85Å; C1053-R1055 VanDerWaalsContact C-N 3.33Å; C1053-R1055 PolarHBondContact O-N 3.07Å; C1053-I1056 PolarHBondContact O-N 3.43Å; C1053-I1056 VanDerWaalsContact O-N 3.13Å; C1053-T1057 WeakPolarHBondContact O-CG2 3.41Å; C1053-T1057 PolarHBondContact O-N 3.41Å; C1053-T1057 PolarHBondContact O-OG1 3.34Å
1054	T	90.8	Very high	90	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.018	32%	0.322	C	S	.	.	H	α-helix	trans	-63.2	-36.8	176.4	-61.9	0	0	0	0	112.4	F1050 I1056 T1057 H1058 F1080	F1050-T1054 WeakPolarHBondContact O-CB 3.41Å; F1050-T1054 PolarHBondContact O-N 3.14Å; F1050-T1054 PolarHBondContact O-OG1 3.33Å; F1050-T1054 VanDerWaalsContact O-OG1 3.06Å; T1054-I1056 VanDerWaalsContact C-N 3.34Å; T1054-T1057 PolarHBondContact O-OG1 2.99Å; T1054-H1058 WeakPolarHBondContact O-CB 3.24Å; T1054-H1058 VanDerWaalsContact O-CG 3.29Å; T1054-H1058 PolarHBondContact O-N 3.24Å; T1054-H1058 VanDerWaalsContact O-N 3.15Å; T1054-F1080 HydrophobicContact CG2-CE2 4.5Å; T1054-F1080 HydrophobicContact CG2-CZ 4.02Å
1055	R	90.3	Very high	89.7	Confident	116 Å²	116	64.7 Å²	64.7	44%	0.438	33%	0.331	S	S	.	.	H	α-helix	trans	-66.7	-36	173.2	-72.5	-67.8	-117.5	127	-9	112.3	F1051 I1052 C1053 S1059 S1076 E1077 F1080	F1051-R1055 WeakPolarHBondContact O-CB 3.4Å; F1051-R1055 VanDerWaalsContact O-CG 3.26Å; F1051-R1055 WeakPolarHBondContact O-CG 3.37Å; F1051-R1055 PolarHBondContact O-N 2.9Å; I1052-R1055 PolarHBondContact O-N 3.31Å; C1053-R1055 VanDerWaalsContact C-N 3.33Å; C1053-R1055 PolarHBondContact O-N 3.07Å; R1055-S1059 PolarHBondContact O-N 2.98Å; R1055-S1076 WeakPolarHBondContact CD-OG 3.42Å; R1055-E1077 IonicContact CZ-OE1 3.62Å; R1055-E1077 IonicContact NH1-OE1 3.42Å; R1055-E1077 PolarHBondContact NH1-OE1 3.04Å; R1055-F1080 HydrophobicContact CG-CE2 4.16Å
1056	I	90.1	Very high	89.4	Confident	91 Å²	91	62.2 Å²	62.2	47%	0.467	32%	0.317	S	S	.	.	H	α-helix	trans	-68.6	-50.7	177.3	-69.8	166.8	0	0	0	110.3	I1052 C1053 T1054 H1058 S1059 L1062	I1052-I1056 HydrophobicContact CG2-CD1 3.75Å; I1052-I1056 VanDerWaalsContact O-CG1 3.29Å; I1052-I1056 WeakPolarHBondContact O-CG1 3.46Å; I1052-I1056 PolarHBondContact O-N 3.49Å; C1053-I1056 PolarHBondContact O-N 3.43Å; C1053-I1056 VanDerWaalsContact O-N 3.13Å; T1054-I1056 VanDerWaalsContact C-N 3.34Å; I1056-H1058 VanDerWaalsContact C-N 3.27Å; I1056-H1058 PolarHBondContact O-N 3.41Å; I1056-S1059 WeakPolarHBondContact O-CB 3.41Å; I1056-S1059 PolarHBondContact O-N 2.95Å; I1056-S1059 VanDerWaalsContact O-N 3.1Å; I1056-S1059 PolarHBondContact O-OG 3.35Å; I1056-L1062 HydrophobicContact CG2-CD1 3.72Å; I1056-L1062 VanDerWaalsContact O-CD1 3.3Å; I1056-L1062 WeakPolarHBondContact O-CD1 3.38Å
1057	T	88.6	Confident	89	Confident	11 Å²	11	65.6 Å²	65.6	7%	0.067	34%	0.339	C	S	.	.	H	α-helix	trans	-66.4	-29.2	-176.2	61.7	0	0	0	0	112.6	E928 W930 C1053 T1054 S1059 Y1070	E928-T1057 WeakPolarHBondContact OE1-CB 3.34Å; E928-T1057 PolarHBondContact OE1-OG1 2.9Å; E928-T1057 PolarHBondContact OE2-OG1 3.4Å; W930-T1057 HydrophobicContact CB-CG2 3.88Å; W930-T1057 HydrophobicContact CG-CG2 4.13Å; C1053-T1057 WeakPolarHBondContact O-CG2 3.41Å; C1053-T1057 PolarHBondContact O-N 3.41Å; C1053-T1057 PolarHBondContact O-OG1 3.34Å; T1054-T1057 PolarHBondContact O-OG1 2.99Å; T1057-S1059 VanDerWaalsContact C-N 3.28Å; T1057-S1059 PolarHBondContact O-N 3.4Å; T1057-Y1070 HydrophobicContact CG2-CE1 4.21Å; T1057-Y1070 VanDerWaalsContact O-CD1 3.31Å; T1057-Y1070 WeakPolarHBondContact O-CD1 3.2Å
1058	H	89.8	Confident	88.3	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.019	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	7.5	176.8	-64.6	-171.2	0	0	0	113.8	E928 T1054 I1056 F1072 G1074 S1076	E928-H1058 VanDerWaalsContact CD-NE2 3.34Å; E928-H1058 IonicContact OE1-CD2 3.86Å; E928-H1058 IonicContact OE1-NE2 3.35Å; E928-H1058 IonicContact OE2-CD2 3.79Å; E928-H1058 PolarHBondContact OE2-CD2 2.99Å; E928-H1058 IonicContact OE2-CE1 3.89Å; E928-H1058 IonicContact OE2-NE2 2.76Å; E928-H1058 PolarHBondContact OE2-NE2 2.86Å; T1054-H1058 WeakPolarHBondContact O-CB 3.24Å; T1054-H1058 VanDerWaalsContact O-CG 3.29Å; T1054-H1058 PolarHBondContact O-N 3.24Å; T1054-H1058 VanDerWaalsContact O-N 3.15Å; I1056-H1058 VanDerWaalsContact C-N 3.27Å; I1056-H1058 PolarHBondContact O-N 3.41Å; H1058-F1072 VanDerWaalsContact CA-O 3.27Å; H1058-F1072 WeakPolarHBondContact CA-O 3.46Å; H1058-F1072 WeakPolarHBondContact CB-O 3.45Å; H1058-F1072 AromaticContact CE1-CD1 3.85Å; H1058-F1072 VanDerWaalsContact CG-O 3.29Å; H1058-F1072 WeakPolarHBondContact NE2-CB 3.29Å; H1058-F1072 AromaticContact NE2-CD1 3.94Å; H1058-F1072 AromaticContact NE2-CG 3.92Å; H1058-G1074 PolarHBondContact O-N 3.45Å; H1058-S1076 WeakPolarHBondContact CB-OG 3.37Å; H1058-S1076 WeakPolarHBondContact ND1-CB 3.45Å; H1058-S1076 PolarHBondContact ND1-N 3.01Å
1059	S	89.1	Confident	87.6	Confident	34 Å²	34	65.9 Å²	65.9	24%	0.238	35%	0.348	C	S	.	.			trans	-74.3	145.7	-177.9	71.7	0	0	0	0	112.4	R1055 I1056 T1057 R1061 L1062 F1063	R1055-S1059 PolarHBondContact O-N 2.98Å; I1056-S1059 WeakPolarHBondContact O-CB 3.41Å; I1056-S1059 PolarHBondContact O-N 2.95Å; I1056-S1059 VanDerWaalsContact O-N 3.1Å; I1056-S1059 PolarHBondContact O-OG 3.35Å; T1057-S1059 VanDerWaalsContact C-N 3.28Å; T1057-S1059 PolarHBondContact O-N 3.4Å; S1059-R1061 PolarHBondContact O-N 3.43Å; S1059-L1062 PolarHBondContact O-N 3.35Å; S1059-F1063 PolarHBondContact O-N 3.46Å
1060	T	85.4	Confident	87.3	Confident	89 Å²	89	64 Å²	64	55%	0.546	34%	0.338	S	S	.	.	H	α-helix	trans	-58.8	-31.5	177.7	53	0	0	0	0	112.9	Q1064 L1073	T1060-Q1064 WeakPolarHBondContact O-CG 3.47Å; T1060-Q1064 PolarHBondContact O-N 3.15Å; T1060-Q1064 VanDerWaalsContact O-N 3.11Å; T1060-L1073 HydrophobicContact CG2-CD1 3.89Å
1061	R	86.8	Confident	86.9	Confident	208 Å²	208	67.4 Å²	67.4	79%	0.785	35%	0.352	S	S	*	.	H	α-helix	trans	-67.3	-44.1	-180	-67.2	-176.3	-179.4	172.7	0.6	112.7	S1059 Q1064 S1065	S1059-R1061 PolarHBondContact O-N 3.43Å; R1061-Q1064 PolarHBondContact O-N 3.45Å; R1061-S1065 PolarHBondContact O-N 3.09Å
1062	L	85.6	Confident	86.5	Confident	51 Å²	51	65.3 Å²	65.3	27%	0.267	34%	0.343	S	S	.	.	H	α-helix	trans	-73.1	-35.7	179.9	-69.9	-175.4	0	0	0	111.7	I1056 S1059 Q1064 S1065 S1066 Y1070	I1056-L1062 HydrophobicContact CG2-CD1 3.72Å; I1056-L1062 VanDerWaalsContact O-CD1 3.3Å; I1056-L1062 WeakPolarHBondContact O-CD1 3.38Å; S1059-L1062 PolarHBondContact O-N 3.35Å; L1062-Q1064 VanDerWaalsContact C-N 3.34Å; L1062-Q1064 PolarHBondContact O-N 3.08Å; L1062-S1065 PolarHBondContact O-N 3.2Å; L1062-S1065 VanDerWaalsContact O-N 3.15Å; L1062-S1066 PolarHBondContact O-N 3.32Å; L1062-Y1070 HydrophobicContact CB-CD1 4.09Å; L1062-Y1070 HydrophobicContact CB-CD2 3.96Å; L1062-Y1070 HydrophobicContact CB-CE1 4.24Å; L1062-Y1070 HydrophobicContact CB-CE2 4.14Å; L1062-Y1070 HydrophobicContact CB-CG 3.93Å; L1062-Y1070 HydrophobicContact CD1-CD1 4.34Å; L1062-Y1070 HydrophobicContact CD1-CE1 3.83Å; L1062-Y1070 WeakPolarHBondContact O-CD2 3.35Å
1063	F	87	Confident	86.2	Confident	67 Å²	67	65.5 Å²	65.5	29%	0.294	34%	0.344	S	S	.	.	H	α-helix	trans	-58.9	-43.1	171.4	178.6	-109.6	0	0	0	112.5	S1059 S1065 S1066 P1067 Y1070 L1073	S1059-F1063 PolarHBondContact O-N 3.46Å; F1063-S1065 VanDerWaalsContact C-N 3.27Å; F1063-S1065 PolarHBondContact O-N 3.31Å; F1063-S1066 CarbonylContact O-C 3.6Å; F1063-S1066 PolarHBondContact O-N 3.32Å; F1063-P1067 HydrophobicContact CD2-CB 4.21Å; F1063-P1067 HydrophobicContact CE2-CB 3.81Å; F1063-P1067 HydrophobicContact CZ-CB 4.19Å; F1063-P1067 WeakPolarHBondContact O-CA 3.49Å; F1063-P1067 VanDerWaalsContact O-CD 3.27Å; F1063-P1067 WeakPolarHBondContact O-CD 3.28Å; F1063-P1067 VanDerWaalsContact O-CG 3.3Å; F1063-P1067 WeakPolarHBondContact O-CG 3.41Å; F1063-P1067 VanDerWaalsContact O-N 3.09Å; F1063-Y1070 WeakPolarHBondContact CD2-O 3.21Å; F1063-L1073 HydrophobicContact CB-CD1 3.9Å; F1063-L1073 HydrophobicContact CD1-CD1 3.9Å; F1063-L1073 HydrophobicContact CD1-CD2 4.3Å; F1063-L1073 HydrophobicContact CE1-CD2 4.32Å; F1063-L1073 HydrophobicContact CG-CD1 3.97Å
1064	Q	87.2	Confident	85.8	Confident	156 Å²	156	65.3 Å²	65.3	73%	0.729	35%	0.346	S	S	*	.	H	α-helix	trans	-63.4	-32.1	176	-75.4	174.8	-7.1	0	0	113	T1060 R1061 L1062	T1060-Q1064 WeakPolarHBondContact O-CG 3.47Å; T1060-Q1064 PolarHBondContact O-N 3.15Å; T1060-Q1064 VanDerWaalsContact O-N 3.11Å; R1061-Q1064 PolarHBondContact O-N 3.45Å; L1062-Q1064 VanDerWaalsContact C-N 3.34Å; L1062-Q1064 PolarHBondContact O-N 3.08Å
1065	S	87.4	Confident	85.6	Confident	102 Å²	102	65.6 Å²	65.6	71%	0.713	35%	0.348	S	S	*	.	H	α-helix	trans	-77.5	-39.6	179.1	-174.3	0	0	0	0	113.1	R1061 L1062 F1063	R1061-S1065 PolarHBondContact O-N 3.09Å; L1062-S1065 PolarHBondContact O-N 3.2Å; L1062-S1065 VanDerWaalsContact O-N 3.15Å; F1063-S1065 VanDerWaalsContact C-N 3.27Å; F1063-S1065 PolarHBondContact O-N 3.31Å
1066	S	84.5	Confident	85.4	Confident	29 Å²	29	60.1 Å²	60.1	20%	0.203	33%	0.327	C	S	.	.			trans	-146.8	92	175.3	-174.7	0	0	0	0	110.6	L1062 F1063 A1068 D1069 Y1070	L1062-S1066 PolarHBondContact O-N 3.32Å; F1063-S1066 CarbonylContact O-C 3.6Å; F1063-S1066 PolarHBondContact O-N 3.32Å; S1066-A1068 PolarHBondContact O-N 2.91Å; S1066-D1069 WeakPolarHBondContact CB-OD2 3.19Å; S1066-D1069 PolarHBondContact O-N 3.43Å; S1066-D1069 VanDerWaalsContact OG-CG 3.28Å; S1066-D1069 PolarHBondContact OG-OD2 3.35Å; S1066-Y1070 WeakPolarHBondContact O-CD2 3.35Å; S1066-Y1070 PolarHBondContact O-N 3.17Å
1067	P	82.9	Confident	85.2	Confident	74 Å²	74	60.9 Å²	60.9	48%	0.481	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-30.1	-179.8	-23.8	32.5	0	0	0	113.7	F1063	F1063-P1067 HydrophobicContact CD2-CB 4.21Å; F1063-P1067 HydrophobicContact CE2-CB 3.81Å; F1063-P1067 HydrophobicContact CZ-CB 4.19Å; F1063-P1067 WeakPolarHBondContact O-CA 3.49Å; F1063-P1067 VanDerWaalsContact O-CD 3.27Å; F1063-P1067 WeakPolarHBondContact O-CD 3.28Å; F1063-P1067 VanDerWaalsContact O-CG 3.3Å; F1063-P1067 WeakPolarHBondContact O-CG 3.41Å; F1063-P1067 VanDerWaalsContact O-N 3.09Å
1068	A	77.8	Confident	85.1	Confident	86 Å²	86	68.1 Å²	68.1	71%	0.711	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-32.5	-179.3	0	0	0	0	0	112.6	S1066	S1066-A1068 PolarHBondContact O-N 2.91Å
1069	D	77.9	Confident	85	Confident	39 Å²	39	68 Å²	68	21%	0.209	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-26.7	-177	-60.4	-47.4	0	0	0	113.1	Y88 S1066	Y88-D1069 PolarHBondContact OH-OD1 3.08Å; S1066-D1069 WeakPolarHBondContact CB-OD2 3.19Å; S1066-D1069 PolarHBondContact O-N 3.43Å; S1066-D1069 VanDerWaalsContact OG-CG 3.28Å; S1066-D1069 PolarHBondContact OG-OD2 3.35Å
1070	Y	84.5	Confident	85	Confident	37 Å²	37	68 Å²	68	15%	0.145	36%	0.355	C	S	.	.			trans	-121.8	49.7	-170.6	-62.8	-77.8	0	0	0	113.8	W930 T1057 L1062 F1063 S1066 F1072	W930-Y1070 AromaticContact CD1-CD1 3.76Å; W930-Y1070 AromaticContact CD1-CE1 3.32Å; W930-Y1070 AromaticContact CD1-CZ 3.95Å; W930-Y1070 HydrophobicContact CD2-CE1 4.49Å; W930-Y1070 AromaticContact CE2-CE1 3.9Å; W930-Y1070 AromaticContact CE2-CZ 3.76Å; W930-Y1070 HydrophobicContact CG-CE1 4.18Å; W930-Y1070 WeakPolarHBondContact CZ2-OH 3.37Å; W930-Y1070 AromaticContact NE1-CD1 3.8Å; W930-Y1070 AromaticContact NE1-CE1 3.11Å; W930-Y1070 AromaticContact NE1-CE2 4Å; W930-Y1070 AromaticContact NE1-CZ 3.23Å; W930-Y1070 PolarHBondContact NE1-OH 3.36Å; T1057-Y1070 HydrophobicContact CG2-CE1 4.21Å; T1057-Y1070 VanDerWaalsContact O-CD1 3.31Å; T1057-Y1070 WeakPolarHBondContact O-CD1 3.2Å; L1062-Y1070 HydrophobicContact CB-CD1 4.09Å; L1062-Y1070 HydrophobicContact CB-CD2 3.96Å; L1062-Y1070 HydrophobicContact CB-CE1 4.24Å; L1062-Y1070 HydrophobicContact CB-CE2 4.14Å; L1062-Y1070 HydrophobicContact CB-CG 3.93Å; L1062-Y1070 HydrophobicContact CD1-CD1 4.34Å; L1062-Y1070 HydrophobicContact CD1-CE1 3.83Å; L1062-Y1070 WeakPolarHBondContact O-CD2 3.35Å; F1063-Y1070 WeakPolarHBondContact CD2-O 3.21Å; S1066-Y1070 WeakPolarHBondContact O-CD2 3.35Å; S1066-Y1070 PolarHBondContact O-N 3.17Å; Y1070-F1072 VanDerWaalsContact C-N 3.3Å; Y1070-F1072 PolarHBondContact O-N 3.22Å
1071	F	83.8	Confident	85.3	Confident	70 Å²	70	70.6 Å²	70.6	31%	0.307	36%	0.364	S	S	.	.			trans	-76.4	-4.1	-171.6	62.7	-90.2	0	0	0	116.1	Y1009 L1073	Y1009-F1071 WeakPolarHBondContact OH-CE2 3.36Å; F1071-L1073 PolarHBondContact O-N 2.93Å
1072	F	85	Confident	85.4	Confident	3 Å²	3	62.3 Å²	62.3	1%	0.013	34%	0.335	C	S	.	.			trans	-85.2	73.4	175.7	-83.1	-114	0	0	0	111	E928 Q1010 A1013 V1014 H1058 Y1070 G1074 V1075	E928-F1072 HydrophobicContact CB-CD2 4.23Å; E928-F1072 HydrophobicContact CB-CE2 4.03Å; E928-F1072 HydrophobicContact CB-CZ 4.32Å; E928-F1072 HydrophobicContact CG-CD2 4.03Å; E928-F1072 HydrophobicContact CG-CE2 4.28Å; E928-F1072 HydrophobicContact CG-CG 4.47Å; Q1010-F1072 HydrophobicContact CB-CD1 3.79Å; Q1010-F1072 HydrophobicContact CB-CE1 3.57Å; Q1010-F1072 HydrophobicContact CB-CZ 4.24Å; Q1010-F1072 HydrophobicContact CG-CD1 4.19Å; Q1010-F1072 HydrophobicContact CG-CE1 3.96Å; Q1010-F1072 HydrophobicContact CG-CZ 4.17Å; A1013-F1072 HydrophobicContact CB-CE1 3.89Å; A1013-F1072 HydrophobicContact CB-CZ 3.87Å; V1014-F1072 HydrophobicContact CG2-CD1 4.25Å; V1014-F1072 HydrophobicContact CG2-CE1 4.27Å; H1058-F1072 VanDerWaalsContact CA-O 3.27Å; H1058-F1072 WeakPolarHBondContact CA-O 3.46Å; H1058-F1072 WeakPolarHBondContact CB-O 3.45Å; H1058-F1072 AromaticContact CE1-CD1 3.85Å; H1058-F1072 VanDerWaalsContact CG-O 3.29Å; H1058-F1072 WeakPolarHBondContact NE2-CB 3.29Å; H1058-F1072 AromaticContact NE2-CD1 3.94Å; H1058-F1072 AromaticContact NE2-CG 3.92Å; Y1070-F1072 VanDerWaalsContact C-N 3.3Å; Y1070-F1072 PolarHBondContact O-N 3.22Å; F1072-G1074 PolarHBondContact O-N 3.43Å; F1072-V1075 HydrophobicContact CB-CG2 4.25Å; F1072-V1075 HydrophobicContact CD1-CB 4.36Å; F1072-V1075 HydrophobicContact CD1-CG1 4.42Å; F1072-V1075 HydrophobicContact CD1-CG2 4.16Å
1073	L	85	Confident	85.8	Confident	83 Å²	83	64.6 Å²	64.6	44%	0.435	35%	0.353	S	S	.	.			trans	-78.9	114	-173.9	-173.2	68.7	0	0	0	112.5	T1060 F1063 F1071 V1075	T1060-L1073 HydrophobicContact CG2-CD1 3.89Å; F1063-L1073 HydrophobicContact CB-CD1 3.9Å; F1063-L1073 HydrophobicContact CD1-CD1 3.9Å; F1063-L1073 HydrophobicContact CD1-CD2 4.3Å; F1063-L1073 HydrophobicContact CE1-CD2 4.32Å; F1063-L1073 HydrophobicContact CG-CD1 3.97Å; F1071-L1073 PolarHBondContact O-N 2.93Å; L1073-V1075 PolarHBondContact O-N 2.91Å
1074	G	82.1	Confident	86	Confident	18 Å²	18	64 Å²	64	19%	0.186	36%	0.355	C	S	.	.	S	Bend	trans	64.7	11.2	172.3	0	0	0	0	0	115.1	H1058 F1072 E1077	H1058-G1074 PolarHBondContact O-N 3.45Å; F1072-G1074 PolarHBondContact O-N 3.43Å; G1074-E1077 PolarHBondContact O-N 3.08Å
1075	V	87.4	Confident	86.2	Confident	9 Å²	9	56.6 Å²	56.6	6%	0.055	32%	0.32	C	S	.	.	H	α-helix	trans	-64.9	-44.1	-179.2	-178.4	0	0	0	0	110.4	Q1010 V1014 F1072 L1073 E1077 K1078 A1079	Q1010-V1075 HydrophobicContact CB-CG1 4.05Å; Q1010-V1075 HydrophobicContact CB-CG2 3.92Å; V1014-V1075 HydrophobicContact CG2-CG1 3.88Å; F1072-V1075 HydrophobicContact CB-CG2 4.25Å; F1072-V1075 HydrophobicContact CD1-CB 4.36Å; F1072-V1075 HydrophobicContact CD1-CG1 4.42Å; F1072-V1075 HydrophobicContact CD1-CG2 4.16Å; L1073-V1075 PolarHBondContact O-N 2.91Å; V1075-E1077 PolarHBondContact O-N 3.3Å; V1075-K1078 PolarHBondContact O-N 2.67Å; V1075-K1078 VanDerWaalsContact O-N 3.16Å; V1075-A1079 VanDerWaalsContact O-CB 3.26Å; V1075-A1079 WeakPolarHBondContact O-CB 3.48Å; V1075-A1079 PolarHBondContact O-N 3.45Å
1076	S	86.5	Confident	86.5	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.007	30%	0.303	C	S	.	.	H	α-helix	trans	-60.1	-29.8	178.1	57.5	0	0	0	0	113.9	R1055 H1058 F1080	R1055-S1076 WeakPolarHBondContact CD-OG 3.42Å; H1058-S1076 WeakPolarHBondContact CB-OG 3.37Å; H1058-S1076 WeakPolarHBondContact ND1-CB 3.45Å; H1058-S1076 PolarHBondContact ND1-N 3.01Å; S1076-F1080 VanDerWaalsContact O-CB 3.28Å; S1076-F1080 WeakPolarHBondContact O-CB 3.25Å; S1076-F1080 WeakPolarHBondContact O-CD2 3.19Å; S1076-F1080 WeakPolarHBondContact O-CG 3.26Å; S1076-F1080 PolarHBondContact O-N 3.17Å; S1076-F1080 VanDerWaalsContact O-N 3.09Å
1077	E	85.5	Confident	87	Confident	107 Å²	107	60.5 Å²	60.5	50%	0.5	32%	0.323	S	S	.	.	H	α-helix	trans	-68.7	-40.1	176.9	-70	-173	165.7	0	0	112.1	R1055 G1074 V1075 I1081	R1055-E1077 IonicContact CZ-OE1 3.62Å; R1055-E1077 IonicContact NH1-OE1 3.42Å; R1055-E1077 PolarHBondContact NH1-OE1 3.04Å; G1074-E1077 PolarHBondContact O-N 3.08Å; V1075-E1077 PolarHBondContact O-N 3.3Å; E1077-I1081 WeakPolarHBondContact O-CD1 3.33Å; E1077-I1081 WeakPolarHBondContact O-CG1 2.98Å
1078	K	85.3	Confident	87.5	Confident	163 Å²	163	57 Å²	57	71%	0.709	30%	0.301	S	S	*	.	H	α-helix	trans	-77.7	-45.9	177.7	-63.8	-178.6	-178.9	176.3	0	111.3	V1075 F1080 I1081 D1082	V1075-K1078 PolarHBondContact O-N 2.67Å; V1075-K1078 VanDerWaalsContact O-N 3.16Å; K1078-F1080 PolarHBondContact O-N 3.49Å; K1078-I1081 PolarHBondContact O-N 3.22Å; K1078-D1082 PolarHBondContact O-N 3.36Å
1079	A	87.4	Confident	88.3	Confident	1 Å²	1	53 Å²	53	1%	0.008	27%	0.267	C	S	.	.	H	α-helix	trans	-64.8	-37.5	-176.3	0	0	0	0	0	113	T1011 V1014 V1075 V1085	T1011-A1079 HydrophobicContact CG2-CB 4.21Å; V1014-A1079 HydrophobicContact CG1-CB 4.11Å; V1075-A1079 VanDerWaalsContact O-CB 3.26Å; V1075-A1079 WeakPolarHBondContact O-CB 3.48Å; V1075-A1079 PolarHBondContact O-N 3.45Å; A1079-V1085 HydrophobicContact CB-CG1 4.46Å; A1079-V1085 HydrophobicContact CB-CG2 4.44Å; A1079-V1085 WeakPolarHBondContact O-CB 3.44Å; A1079-V1085 WeakPolarHBondContact O-CG1 3.26Å
1080	F	89.8	Confident	89.1	Confident	34 Å²	34	55.8 Å²	55.8	15%	0.149	28%	0.282	C	S	.	.	H	α-helix	trans	-79	-17.2	-179.9	-63.1	-27	0	0	0	114.2	V1014 M1018 F1051 T1054 R1055 S1076 K1078 W1086	V1014-F1080 HydrophobicContact CG1-CE1 4.05Å; M1018-F1080 HydrophobicContact SD-CE1 4.41Å; F1051-F1080 HydrophobicContact CD1-CE1 4.1Å; F1051-F1080 AromaticContact CD1-CE2 3.96Å; F1051-F1080 HydrophobicContact CD1-CE2 3.96Å; F1051-F1080 AromaticContact CD1-CZ 3.74Å; F1051-F1080 HydrophobicContact CD1-CZ 3.74Å; F1051-F1080 HydrophobicContact CE1-CD1 4.4Å; F1051-F1080 HydrophobicContact CE1-CE1 4.01Å; F1051-F1080 HydrophobicContact CE1-CZ 4.13Å; T1054-F1080 HydrophobicContact CG2-CE2 4.5Å; T1054-F1080 HydrophobicContact CG2-CZ 4.02Å; R1055-F1080 HydrophobicContact CG-CE2 4.16Å; S1076-F1080 VanDerWaalsContact O-CB 3.28Å; S1076-F1080 WeakPolarHBondContact O-CB 3.25Å; S1076-F1080 WeakPolarHBondContact O-CD2 3.19Å; S1076-F1080 WeakPolarHBondContact O-CG 3.26Å; S1076-F1080 PolarHBondContact O-N 3.17Å; S1076-F1080 VanDerWaalsContact O-N 3.09Å; K1078-F1080 PolarHBondContact O-N 3.49Å; F1080-W1086 PolarHBondContact O-NE1 2.93Å
1081	I	90.9	Very high	89.7	Confident	144 Å²	144	58 Å²	58	74%	0.738	30%	0.295	S	S	*	.	H	α-helix	trans	-81.7	-30.6	173.8	-67	172	0	0	0	110.6	E1077 K1078	E1077-I1081 WeakPolarHBondContact O-CD1 3.33Å; E1077-I1081 WeakPolarHBondContact O-CG1 2.98Å; K1078-I1081 PolarHBondContact O-N 3.22Å
1082	D	90.7	Very high	90.2	Very high	35 Å²	35	54.6 Å²	54.6	19%	0.187	28%	0.281	C	S	.	.			trans	-75.5	120.9	-173.9	-161.7	-41.4	0	0	0	112.9	Y1007 K1078 V1084 V1085	Y1007-D1082 WeakPolarHBondContact CE1-OD2 3.43Å; Y1007-D1082 PolarHBondContact OH-OD2 3.08Å; K1078-D1082 PolarHBondContact O-N 3.36Å; D1082-V1084 VanDerWaalsContact C-N 3.26Å; D1082-V1084 PolarHBondContact O-N 3.49Å; D1082-V1084 WeakPolarHBondContact OD1-CB 3.5Å; D1082-V1084 WeakPolarHBondContact OD1-CG2 3.23Å; D1082-V1084 PolarHBondContact OD1-N 3Å; D1082-V1085 HydrophobicContact CB-CG2 4.1Å; D1082-V1085 PolarHBondContact O-N 3.1Å
1083	P	92.3	Very high	90.7	Very high	98 Å²	98	54.7 Å²	54.7	64%	0.636	28%	0.282	S	S	*	.	H	α-helix	trans	-65.5	-26.2	178.8	27.5	-35.5	0	0	0	113.6	V1085 W1086 L1087	P1083-V1085 VanDerWaalsContact C-N 3.3Å; P1083-V1085 PolarHBondContact O-N 3.37Å; P1083-W1086 PolarHBondContact O-N 3.4Å; P1083-L1087 WeakPolarHBondContact O-CB 3.28Å; P1083-L1087 PolarHBondContact O-N 3.49Å
1084	V	91.5	Very high	91.2	Very high	55 Å²	55	57.8 Å²	57.8	33%	0.333	29%	0.288	S	S	.	.	H	α-helix	trans	-65.2	-38.5	179.7	-179.5	0	0	0	0	110.3	V1001 F1002 Y1007 D1082 T1088	V1001-V1084 HydrophobicContact CG1-CG1 4.26Å; F1002-V1084 HydrophobicContact CE1-CG1 4.27Å; Y1007-V1084 HydrophobicContact CE2-CG1 4.39Å; D1082-V1084 VanDerWaalsContact C-N 3.26Å; D1082-V1084 PolarHBondContact O-N 3.49Å; D1082-V1084 WeakPolarHBondContact OD1-CB 3.5Å; D1082-V1084 WeakPolarHBondContact OD1-CG2 3.23Å; D1082-V1084 PolarHBondContact OD1-N 3Å; V1084-T1088 WeakPolarHBondContact O-CB 3.27Å; V1084-T1088 PolarHBondContact O-N 2.97Å; V1084-T1088 PolarHBondContact O-OG1 3.32Å
1085	V	91.4	Very high	91.8	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.7	-47.6	176.7	171.2	0	0	0	0	110.8	F1002 T1011 T1015 A1079 D1082 P1083 T1088 A1089	F1002-V1085 HydrophobicContact CZ-CG2 4.48Å; T1011-V1085 HydrophobicContact CG2-CG2 3.77Å; T1015-V1085 HydrophobicContact CG2-CG1 4.36Å; A1079-V1085 HydrophobicContact CB-CG1 4.46Å; A1079-V1085 HydrophobicContact CB-CG2 4.44Å; A1079-V1085 WeakPolarHBondContact O-CB 3.44Å; A1079-V1085 WeakPolarHBondContact O-CG1 3.26Å; D1082-V1085 HydrophobicContact CB-CG2 4.1Å; D1082-V1085 PolarHBondContact O-N 3.1Å; P1083-V1085 VanDerWaalsContact C-N 3.3Å; P1083-V1085 PolarHBondContact O-N 3.37Å; V1085-T1088 PolarHBondContact O-N 2.98Å; V1085-A1089 VanDerWaalsContact O-CB 3.28Å; V1085-A1089 WeakPolarHBondContact O-CB 3.17Å; V1085-A1089 PolarHBondContact O-N 2.76Å
1086	W	93.9	Very high	92.1	Very high	94 Å²	94	58 Å²	58	36%	0.356	29%	0.286	S	S	.	.	H	α-helix	trans	-62.4	-48	178.3	-76.5	92.7	0	0	0	112.6	M1018 F1022 F1051 F1080 P1083 T1088 A1089 L1090	M1018-W1086 HydrophobicContact CE-CD2 3.56Å; M1018-W1086 HydrophobicContact CE-CE3 3.18Å; M1018-W1086 HydrophobicContact CE-CG 4.4Å; M1018-W1086 HydrophobicContact CE-CH2 3.56Å; M1018-W1086 HydrophobicContact CE-CZ2 3.91Å; M1018-W1086 HydrophobicContact CE-CZ3 3.18Å; F1022-W1086 HydrophobicContact CE2-CZ3 4.45Å; F1022-W1086 HydrophobicContact CZ-CZ3 4.26Å; F1051-W1086 AromaticContact CE1-CH2 3.89Å; F1051-W1086 HydrophobicContact CE1-CH2 3.89Å; F1051-W1086 HydrophobicContact CE1-CZ2 4.26Å; F1051-W1086 AromaticContact CZ-CH2 3.67Å; F1051-W1086 HydrophobicContact CZ-CH2 3.67Å; F1051-W1086 HydrophobicContact CZ-CZ2 4.48Å; F1051-W1086 HydrophobicContact CZ-CZ3 4.26Å; F1080-W1086 PolarHBondContact O-NE1 2.93Å; P1083-W1086 PolarHBondContact O-N 3.4Å; W1086-T1088 VanDerWaalsContact C-N 3.34Å; W1086-T1088 PolarHBondContact O-N 3.04Å; W1086-A1089 PolarHBondContact O-N 3.09Å; W1086-L1090 WeakPolarHBondContact O-CB 3.16Å; W1086-L1090 VanDerWaalsContact O-CG 3.29Å; W1086-L1090 WeakPolarHBondContact O-CG 3.44Å; W1086-L1090 PolarHBondContact O-N 3.28Å
1087	L	94.8	Very high	92.4	Very high	119 Å²	119	58 Å²	58	62%	0.623	29%	0.285	S	S	*	.	H	α-helix	trans	-64.7	-41.7	-178.8	-170.2	147.5	0	0	0	111	P1083 L1091	P1083-L1087 WeakPolarHBondContact O-CB 3.28Å; P1083-L1087 PolarHBondContact O-N 3.49Å; L1087-L1091 WeakPolarHBondContact O-CB 3.39Å; L1087-L1091 PolarHBondContact O-N 3.36Å
1088	T	94.6	Very high	92.7	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.012	28%	0.279	C	S	.	.	H	α-helix	trans	-63.4	-48.7	175.9	-56.1	0	0	0	0	110.7	P998 V1001 T1015 V1084 V1085 W1086 L1090 L1091 T1092	P998-T1088 HydrophobicContact CB-CG2 4.19Å; P998-T1088 HydrophobicContact CG-CG2 4.22Å; V1001-T1088 HydrophobicContact CB-CG2 4.23Å; V1001-T1088 HydrophobicContact CG1-CG2 4.42Å; V1001-T1088 HydrophobicContact CG2-CG2 4.18Å; T1015-T1088 HydrophobicContact CG2-CG2 3.92Å; V1084-T1088 WeakPolarHBondContact O-CB 3.27Å; V1084-T1088 PolarHBondContact O-N 2.97Å; V1084-T1088 PolarHBondContact O-OG1 3.32Å; V1085-T1088 PolarHBondContact O-N 2.98Å; W1086-T1088 VanDerWaalsContact C-N 3.34Å; W1086-T1088 PolarHBondContact O-N 3.04Å; T1088-L1090 PolarHBondContact O-N 3.21Å; T1088-L1091 PolarHBondContact O-N 3.47Å; T1088-T1092 WeakPolarHBondContact O-CB 3.22Å; T1088-T1092 PolarHBondContact O-N 3.47Å; T1088-T1092 PolarHBondContact O-OG1 2.91Å
1089	A	94.6	Very high	93	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.2	-42	179.9	0	0	0	0	0	112.6	T1015 M1018 A1019 V1085 W1086 A1093	T1015-A1089 HydrophobicContact CG2-CB 4.27Å; M1018-A1089 HydrophobicContact CB-CB 4.26Å; M1018-A1089 HydrophobicContact CG-CB 3.96Å; M1018-A1089 HydrophobicContact SD-CB 4.09Å; A1019-A1089 HydrophobicContact CB-CB 4.35Å; V1085-A1089 VanDerWaalsContact O-CB 3.28Å; V1085-A1089 WeakPolarHBondContact O-CB 3.17Å; V1085-A1089 PolarHBondContact O-N 2.76Å; W1086-A1089 PolarHBondContact O-N 3.09Å; A1089-A1093 VanDerWaalsContact O-CB 3.24Å; A1089-A1093 WeakPolarHBondContact O-CB 3.34Å; A1089-A1093 PolarHBondContact O-N 3.02Å
1090	L	95.3	Very high	93.1	Very high	99 Å²	99	51.3 Å²	51.3	52%	0.518	26%	0.264	S	S	.	.	H	α-helix	trans	-67.9	-43.2	176.9	-71.7	171.9	0	0	0	112.2	F1022 W1086 T1088 A1093 W1094	F1022-L1090 HydrophobicContact CD2-CD2 4.08Å; F1022-L1090 HydrophobicContact CE2-CD2 4.13Å; W1086-L1090 WeakPolarHBondContact O-CB 3.16Å; W1086-L1090 VanDerWaalsContact O-CG 3.29Å; W1086-L1090 WeakPolarHBondContact O-CG 3.44Å; W1086-L1090 PolarHBondContact O-N 3.28Å; T1088-L1090 PolarHBondContact O-N 3.21Å; L1090-A1093 PolarHBondContact O-N 3.31Å; L1090-W1094 WeakPolarHBondContact O-CB 3.39Å; L1090-W1094 PolarHBondContact O-N 3.47Å
1091	L	95.6	Very high	93.1	Very high	82 Å²	82	51.8 Å²	51.8	43%	0.429	27%	0.27	S	S	.	.	H	α-helix	trans	-61.3	-48.6	176.1	178.6	66.3	0	0	0	110.9	I997 L1087 T1088 A1093 W1094 T1095	I997-L1091 HydrophobicContact CG2-CD2 4.41Å; L1087-L1091 WeakPolarHBondContact O-CB 3.39Å; L1087-L1091 PolarHBondContact O-N 3.36Å; T1088-L1091 PolarHBondContact O-N 3.47Å; L1091-A1093 PolarHBondContact O-N 3.23Å; L1091-W1094 PolarHBondContact O-N 3.19Å; L1091-T1095 HydrophobicContact CD1-CG2 4.24Å; L1091-T1095 WeakPolarHBondContact O-CB 3.47Å; L1091-T1095 VanDerWaalsContact O-CG2 3.29Å; L1091-T1095 WeakPolarHBondContact O-CG2 3.5Å; L1091-T1095 PolarHBondContact O-N 3.06Å; L1091-T1095 PolarHBondContact O-OG1 3.26Å
1092	T	95.7	Very high	93	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-44.3	176.9	-56.1	0	0	0	0	111.3	V993 L994 I997 P998 A1019 T1088 T1095 A1096	V993-T1092 HydrophobicContact CG1-CG2 4.2Å; V993-T1092 WeakPolarHBondContact O-CG2 3.49Å; L994-T1092 HydrophobicContact CD2-CG2 4.03Å; I997-T1092 HydrophobicContact CB-CG2 4.4Å; I997-T1092 VanDerWaalsContact CG2-OG1 3.28Å; I997-T1092 WeakPolarHBondContact CG2-OG1 3.46Å; P998-T1092 HydrophobicContact CG-CG2 4.14Å; A1019-T1092 HydrophobicContact CB-CG2 3.9Å; T1088-T1092 WeakPolarHBondContact O-CB 3.22Å; T1088-T1092 PolarHBondContact O-N 3.47Å; T1088-T1092 PolarHBondContact O-OG1 2.91Å; T1092-T1095 WeakPolarHBondContact CA-OG1 3.43Å; T1092-T1095 PolarHBondContact O-OG1 3.34Å; T1092-A1096 VanDerWaalsContact O-CB 3.27Å; T1092-A1096 WeakPolarHBondContact O-CB 3.48Å; T1092-A1096 PolarHBondContact O-N 3.29Å
1093	A	94.9	Very high	92.8	Very high	5 Å²	5	53.4 Å²	53.4	4%	0.041	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-42.9	178.1	0	0	0	0	0	112.7	F1022 A1023 A1089 L1090 L1091 A1096 V1097	F1022-A1093 HydrophobicContact CB-CB 3.7Å; A1023-A1093 HydrophobicContact CB-CB 4.27Å; A1089-A1093 VanDerWaalsContact O-CB 3.24Å; A1089-A1093 WeakPolarHBondContact O-CB 3.34Å; A1089-A1093 PolarHBondContact O-N 3.02Å; L1090-A1093 PolarHBondContact O-N 3.31Å; L1091-A1093 PolarHBondContact O-N 3.23Å; A1093-A1096 PolarHBondContact O-N 3.29Å; A1093-V1097 WeakPolarHBondContact O-CG2 3.35Å; A1093-V1097 PolarHBondContact O-N 3.02Å
1094	W	94.4	Very high	92.4	Very high	148 Å²	148	53.1 Å²	53.1	56%	0.561	27%	0.266	S	S	*	.	H	α-helix	trans	-65.5	-47.4	178.9	-178.4	-109.3	0	0	0	112.3	L1090 L1091 A1096 V1097 L1098	L1090-W1094 WeakPolarHBondContact O-CB 3.39Å; L1090-W1094 PolarHBondContact O-N 3.47Å; L1091-W1094 PolarHBondContact O-N 3.19Å; W1094-A1096 VanDerWaalsContact C-N 3.32Å; W1094-A1096 PolarHBondContact O-N 3.4Å; W1094-V1097 PolarHBondContact O-N 3.44Å; W1094-L1098 PolarHBondContact O-N 3.24Å; W1094-L1098 VanDerWaalsContact O-N 3.07Å
1095	T	95.3	Very high	92.2	Very high	31 Å²	31	52.6 Å²	52.6	19%	0.19	27%	0.268	C	S	.	.	H	α-helix	trans	-62.6	-37.9	177.3	52.5	0	0	0	0	112.1	Y989 V993 I997 L1091 T1092 V1097 L1098	Y989-T1095 PolarHBondContact OH-O 3.29Å; V993-T1095 WeakPolarHBondContact CG1-OG1 3.35Å; I997-T1095 HydrophobicContact CD1-CG2 4.15Å; I997-T1095 WeakPolarHBondContact CD1-OG1 3.37Å; L1091-T1095 HydrophobicContact CD1-CG2 4.24Å; L1091-T1095 WeakPolarHBondContact O-CB 3.47Å; L1091-T1095 VanDerWaalsContact O-CG2 3.29Å; L1091-T1095 WeakPolarHBondContact O-CG2 3.5Å; L1091-T1095 PolarHBondContact O-N 3.06Å; L1091-T1095 PolarHBondContact O-OG1 3.26Å; T1092-T1095 WeakPolarHBondContact CA-OG1 3.43Å; T1092-T1095 PolarHBondContact O-OG1 3.34Å; T1095-V1097 VanDerWaalsContact C-N 3.27Å; T1095-V1097 PolarHBondContact O-N 2.92Å; T1095-L1098 WeakPolarHBondContact O-CB 3.24Å; T1095-L1098 PolarHBondContact O-N 3.38Å
1096	A	93.9	Very high	92	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.9	-35	177.5	0	0	0	0	0	112.6	Y986 M990 V993 A1023 T1092 A1093 W1094	Y986-A1096 PolarHBondContact OH-O 3.16Å; M990-A1096 HydrophobicContact CG-CB 4.12Å; V993-A1096 HydrophobicContact CB-CB 4.39Å; V993-A1096 HydrophobicContact CG1-CB 3.93Å; A1023-A1096 HydrophobicContact CB-CB 4.12Å; T1092-A1096 VanDerWaalsContact O-CB 3.27Å; T1092-A1096 WeakPolarHBondContact O-CB 3.48Å; T1092-A1096 PolarHBondContact O-N 3.29Å; A1093-A1096 PolarHBondContact O-N 3.29Å; W1094-A1096 VanDerWaalsContact C-N 3.32Å; W1094-A1096 PolarHBondContact O-N 3.4Å
1097	V	93.3	Very high	91.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-92.6	-10.3	-176.1	-178.5	0	0	0	0	113	Y986 A1023 V1026 I1030 A1093 W1094 T1095 P1099 S1100 V1101	Y986-V1097 WeakPolarHBondContact OH-CA 3.49Å; A1023-V1097 HydrophobicContact CB-CG2 4.09Å; A1023-V1097 VanDerWaalsContact O-CG2 3.3Å; A1023-V1097 WeakPolarHBondContact O-CG2 3.46Å; V1026-V1097 HydrophobicContact CB-CG2 4.39Å; V1026-V1097 HydrophobicContact CG1-CB 4.49Å; V1026-V1097 HydrophobicContact CG1-CG1 3.98Å; V1026-V1097 HydrophobicContact CG1-CG2 4.48Å; I1030-V1097 HydrophobicContact CD1-CG1 3.35Å; A1093-V1097 WeakPolarHBondContact O-CG2 3.35Å; A1093-V1097 PolarHBondContact O-N 3.02Å; W1094-V1097 PolarHBondContact O-N 3.44Å; T1095-V1097 VanDerWaalsContact C-N 3.27Å; T1095-V1097 PolarHBondContact O-N 2.92Å; V1097-P1099 VanDerWaalsContact C-CD 3.48Å; V1097-S1100 WeakPolarHBondContact O-CB 3.29Å; V1097-S1100 PolarHBondContact O-N 3.01Å; V1097-V1101 HydrophobicContact CG1-CG2 4.04Å; V1097-V1101 PolarHBondContact O-N 2.98Å; V1097-V1101 VanDerWaalsContact O-N 3.14Å
1098	L	92	Very high	90.9	Very high	70 Å²	70	54.6 Å²	54.6	37%	0.366	28%	0.284	S	S	.	.	H	α-helix	trans	-53.2	-41.2	-176.8	-171	67.9	0	0	0	114.4	W1094 T1095 S1100 V1101 T1102	W1094-L1098 PolarHBondContact O-N 3.24Å; W1094-L1098 VanDerWaalsContact O-N 3.07Å; T1095-L1098 WeakPolarHBondContact O-CB 3.24Å; T1095-L1098 PolarHBondContact O-N 3.38Å; L1098-S1100 VanDerWaalsContact C-N 3.32Å; L1098-S1100 PolarHBondContact O-N 3.15Å; L1098-V1101 PolarHBondContact O-N 3.42Å; L1098-T1102 HydrophobicContact CD1-CG2 4.28Å; L1098-T1102 HydrophobicContact CG-CG2 4.3Å; L1098-T1102 WeakPolarHBondContact O-CB 3.22Å; L1098-T1102 VanDerWaalsContact O-CG2 3.28Å; L1098-T1102 WeakPolarHBondContact O-CG2 3.3Å; L1098-T1102 PolarHBondContact O-N 3.43Å; L1098-T1102 PolarHBondContact O-OG1 3.02Å
1099	P	90.9	Very high	90.5	Very high	43 Å²	43	60 Å²	60	28%	0.279	31%	0.311	S	S	.	.	H	α-helix	trans	-62.4	-36.1	175.7	-23.7	35.2	0	0	0	113.7	Y986 Y989 V1097 T1102 F1103	Y986-P1099 HydrophobicContact CD2-CB 4.41Å; Y986-P1099 HydrophobicContact CE2-CB 4.11Å; Y986-P1099 HydrophobicContact CE2-CG 4.17Å; Y989-P1099 HydrophobicContact CD1-CG 3.73Å; Y989-P1099 HydrophobicContact CE1-CG 3.26Å; Y989-P1099 HydrophobicContact CE2-CG 4.45Å; Y989-P1099 HydrophobicContact CG-CG 4.49Å; V1097-P1099 VanDerWaalsContact C-CD 3.48Å; P1099-T1102 WeakPolarHBondContact CA-OG1 3.45Å; P1099-T1102 PolarHBondContact O-OG1 3.12Å; P1099-F1103 VanDerWaalsContact O-CB 3.25Å; P1099-F1103 WeakPolarHBondContact O-CB 3.49Å; P1099-F1103 PolarHBondContact O-N 2.98Å
1100	S	88.8	Confident	90	Very high	19 Å²	19	63.4 Å²	63.4	13%	0.133	33%	0.329	C	S	.	.	H	α-helix	trans	-69.9	-44.3	178.6	-171	0	0	0	0	110.8	Y986 E1027 V1097 L1098 F1103 H1104	Y986-S1100 WeakPolarHBondContact OH-CB 3.46Å; E1027-S1100 WeakPolarHBondContact OE1-CB 3.29Å; E1027-S1100 PolarHBondContact OE1-OG 3.28Å; E1027-S1100 WeakPolarHBondContact OE2-CB 3.19Å; E1027-S1100 PolarHBondContact OE2-OG 3.19Å; V1097-S1100 WeakPolarHBondContact O-CB 3.29Å; V1097-S1100 PolarHBondContact O-N 3.01Å; L1098-S1100 VanDerWaalsContact C-N 3.32Å; L1098-S1100 PolarHBondContact O-N 3.15Å; S1100-F1103 PolarHBondContact O-N 3.15Å; S1100-H1104 WeakPolarHBondContact O-CB 3.14Å; S1100-H1104 PolarHBondContact O-N 3.13Å
1101	V	89.7	Confident	89.1	Confident	43 Å²	43	65.8 Å²	65.8	26%	0.261	34%	0.335	S	S	.	.	H	α-helix	trans	-60.8	-48.5	176.2	176.9	0	0	0	0	111.1	I1030 V1097 L1098 F1103 H1104 A1105	I1030-V1101 HydrophobicContact CD1-CG2 3.49Å; I1030-V1101 VanDerWaalsContact CD1-CG2 3.49Å; V1097-V1101 HydrophobicContact CG1-CG2 4.04Å; V1097-V1101 PolarHBondContact O-N 2.98Å; V1097-V1101 VanDerWaalsContact O-N 3.14Å; L1098-V1101 PolarHBondContact O-N 3.42Å; V1101-F1103 PolarHBondContact O-N 2.83Å; V1101-H1104 PolarHBondContact O-N 3.3Å; V1101-A1105 WeakPolarHBondContact O-CB 3.31Å; V1101-A1105 PolarHBondContact O-N 2.87Å
1102	T	89.3	Confident	88.1	Confident	76 Å²	76	64.7 Å²	64.7	47%	0.466	34%	0.338	S	S	.	.	H	α-helix	trans	-64	-42	-179.7	51	0	0	0	0	111.6	L1098 P1099 H1104 A1105 F1106	L1098-T1102 HydrophobicContact CD1-CG2 4.28Å; L1098-T1102 HydrophobicContact CG-CG2 4.3Å; L1098-T1102 WeakPolarHBondContact O-CB 3.22Å; L1098-T1102 VanDerWaalsContact O-CG2 3.28Å; L1098-T1102 WeakPolarHBondContact O-CG2 3.3Å; L1098-T1102 PolarHBondContact O-N 3.43Å; L1098-T1102 PolarHBondContact O-OG1 3.02Å; P1099-T1102 WeakPolarHBondContact CA-OG1 3.45Å; P1099-T1102 PolarHBondContact O-OG1 3.12Å; T1102-H1104 PolarHBondContact O-N 3.24Å; T1102-A1105 PolarHBondContact O-N 3.5Å; T1102-F1106 VanDerWaalsContact O-CB 3.28Å; T1102-F1106 WeakPolarHBondContact O-CB 3.43Å; T1102-F1106 PolarHBondContact O-N 2.98Å
1103	F	86.6	Confident	87.1	Confident	138 Å²	138	70.9 Å²	70.9	61%	0.605	37%	0.365	S	S	*	.	H	α-helix	trans	-64.1	-40.5	175.3	-176.3	-104.5	0	0	0	112.2	P1099 S1100 V1101 N1107	P1099-F1103 VanDerWaalsContact O-CB 3.25Å; P1099-F1103 WeakPolarHBondContact O-CB 3.49Å; P1099-F1103 PolarHBondContact O-N 2.98Å; S1100-F1103 PolarHBondContact O-N 3.15Å; V1101-F1103 PolarHBondContact O-N 2.83Å; F1103-N1107 VanDerWaalsContact CD1-ND2 3.26Å; F1103-N1107 WeakPolarHBondContact CD1-ND2 3.45Å; F1103-N1107 WeakPolarHBondContact CE1-ND2 3.42Å; F1103-N1107 WeakPolarHBondContact CZ-ND2 3.42Å; F1103-N1107 WeakPolarHBondContact O-CB 3.47Å; F1103-N1107 PolarHBondContact O-N 3.5Å; F1103-N1107 PolarHBondContact O-ND2 2.95Å
1104	H	84.9	Confident	85.8	Confident	91 Å²	91	74.3 Å²	74.3	42%	0.421	38%	0.382	S	S	.	.	H	α-helix	trans	-64.5	-49.3	175.7	-168.8	102	0	0	0	111.4	S1100 V1101 T1102 F1106 N1107 V1108	S1100-H1104 WeakPolarHBondContact O-CB 3.14Å; S1100-H1104 PolarHBondContact O-N 3.13Å; V1101-H1104 PolarHBondContact O-N 3.3Å; T1102-H1104 PolarHBondContact O-N 3.24Å; H1104-F1106 VanDerWaalsContact C-N 3.34Å; H1104-F1106 PolarHBondContact O-N 3.43Å; H1104-N1107 PolarHBondContact O-N 2.97Å; H1104-V1108 WeakPolarHBondContact O-CG2 3.2Å; H1104-V1108 PolarHBondContact O-N 3.33Å
1105	A	85.9	Confident	84.3	Confident	44 Å²	44	76.3 Å²	76.3	36%	0.364	39%	0.389	S	S	.	.	H	α-helix	trans	-57.7	-47	177.8	0	0	0	0	0	111.2	V1101 T1102 N1107 V1108 I1109	V1101-A1105 WeakPolarHBondContact O-CB 3.31Å; V1101-A1105 PolarHBondContact O-N 2.87Å; T1102-A1105 PolarHBondContact O-N 3.5Å; A1105-N1107 PolarHBondContact O-N 3.05Å; A1105-V1108 PolarHBondContact O-N 3.24Å; A1105-I1109 WeakPolarHBondContact O-CB 3.44Å; A1105-I1109 WeakPolarHBondContact O-CD1 3.5Å; A1105-I1109 WeakPolarHBondContact O-CG1 3.36Å; A1105-I1109 PolarHBondContact O-N 3.22Å
1106	F	88.5	Confident	82.8	Confident	123 Å²	123	81.6 Å²	81.6	54%	0.539	41%	0.41	S	S	.	.	H	α-helix	trans	-58.9	-44.5	176.5	-176	-98.1	0	0	0	112.2	T1102 H1104 V1108 I1109 L1110	T1102-F1106 VanDerWaalsContact O-CB 3.28Å; T1102-F1106 WeakPolarHBondContact O-CB 3.43Å; T1102-F1106 PolarHBondContact O-N 2.98Å; H1104-F1106 VanDerWaalsContact C-N 3.34Å; H1104-F1106 PolarHBondContact O-N 3.43Å; F1106-V1108 PolarHBondContact O-N 3.02Å; F1106-I1109 PolarHBondContact O-N 3.27Å; F1106-L1110 HydrophobicContact CE1-CD2 4.16Å; F1106-L1110 VanDerWaalsContact O-CB 3.25Å; F1106-L1110 WeakPolarHBondContact O-CB 3.44Å; F1106-L1110 PolarHBondContact O-N 2.97Å
1107	N	82.5	Confident	81.3	Confident	52 Å²	52	85.8 Å²	85.8	28%	0.278	43%	0.429	S	S	.	.	H	α-helix	trans	-65.9	-37.3	178	-78.2	-51.8	0	0	0	113.2	F1103 H1104 A1105 K1111	F1103-N1107 VanDerWaalsContact CD1-ND2 3.26Å; F1103-N1107 WeakPolarHBondContact CD1-ND2 3.45Å; F1103-N1107 WeakPolarHBondContact CE1-ND2 3.42Å; F1103-N1107 WeakPolarHBondContact CZ-ND2 3.42Å; F1103-N1107 WeakPolarHBondContact O-CB 3.47Å; F1103-N1107 PolarHBondContact O-N 3.5Å; F1103-N1107 PolarHBondContact O-ND2 2.95Å; H1104-N1107 PolarHBondContact O-N 2.97Å; A1105-N1107 PolarHBondContact O-N 3.05Å; N1107-K1111 WeakPolarHBondContact O-CB 3.21Å; N1107-K1111 VanDerWaalsContact O-CG 3.28Å; N1107-K1111 WeakPolarHBondContact O-CG 3.36Å; N1107-K1111 PolarHBondContact O-N 3.04Å
1108	V	83.2	Confident	79.6	Confident	81 Å²	81	90.8 Å²	90.8	49%	0.491	46%	0.455	S	S	.	.	H	α-helix	trans	-65.9	-46	175.8	171.6	0	0	0	0	110	H1104 A1105 F1106 K1111 A1112	H1104-V1108 WeakPolarHBondContact O-CG2 3.2Å; H1104-V1108 PolarHBondContact O-N 3.33Å; A1105-V1108 PolarHBondContact O-N 3.24Å; F1106-V1108 PolarHBondContact O-N 3.02Å; V1108-K1111 PolarHBondContact O-N 3.17Å; V1108-A1112 WeakPolarHBondContact O-CB 3.37Å; V1108-A1112 PolarHBondContact O-N 3.43Å
1109	I	86.3	Confident	77.8	Confident	114 Å²	114	92.8 Å²	92.8	59%	0.585	47%	0.465	S	S	*	.	H	α-helix	trans	-61.4	-48	177.1	-66.6	163.7	0	0	0	110.5	A1105 F1106 K1111 A1112 F1113	A1105-I1109 WeakPolarHBondContact O-CB 3.44Å; A1105-I1109 WeakPolarHBondContact O-CD1 3.5Å; A1105-I1109 WeakPolarHBondContact O-CG1 3.36Å; A1105-I1109 PolarHBondContact O-N 3.22Å; F1106-I1109 PolarHBondContact O-N 3.27Å; I1109-K1111 PolarHBondContact O-N 3.39Å; I1109-A1112 PolarHBondContact O-N 3.19Å; I1109-F1113 WeakPolarHBondContact O-CB 3.49Å; I1109-F1113 PolarHBondContact O-N 2.89Å
1110	L	82.3	Confident	76	Confident	73 Å²	73	95.7 Å²	95.7	38%	0.382	48%	0.478	S	S	.	.	H	α-helix	trans	-61.9	-42.7	179.9	-174.3	67	0	0	0	111.6	F1106 F1113 I1114	F1106-L1110 HydrophobicContact CE1-CD2 4.16Å; F1106-L1110 VanDerWaalsContact O-CB 3.25Å; F1106-L1110 WeakPolarHBondContact O-CB 3.44Å; F1106-L1110 PolarHBondContact O-N 2.97Å; L1110-F1113 PolarHBondContact O-N 3.21Å; L1110-I1114 HydrophobicContact CD1-CD1 4.34Å; L1110-I1114 HydrophobicContact CG-CD1 3.96Å; L1110-I1114 WeakPolarHBondContact O-CB 3.38Å; L1110-I1114 VanDerWaalsContact O-CG1 3.26Å; L1110-I1114 WeakPolarHBondContact O-CG1 3.44Å; L1110-I1114 PolarHBondContact O-N 3.01Å
1111	K	77.4	Confident	74.2	Confident	149 Å²	149	99.3 Å²	99.3	65%	0.648	49%	0.493	S	S	*	.	H	α-helix	trans	-65.9	-40.4	175.6	-77.8	179.5	178.8	-175.7	0	112.5	N1107 V1108 I1109 F1113 R1115	N1107-K1111 WeakPolarHBondContact O-CB 3.21Å; N1107-K1111 VanDerWaalsContact O-CG 3.28Å; N1107-K1111 WeakPolarHBondContact O-CG 3.36Å; N1107-K1111 PolarHBondContact O-N 3.04Å; V1108-K1111 PolarHBondContact O-N 3.17Å; I1109-K1111 PolarHBondContact O-N 3.39Å; K1111-F1113 VanDerWaalsContact C-N 3.32Å; K1111-R1115 VanDerWaalsContact O-CB 3.24Å; K1111-R1115 WeakPolarHBondContact O-CB 3.32Å; K1111-R1115 PolarHBondContact O-N 3.4Å
1112	A	73.7	Confident	71.9	Confident	59 Å²	59	98.7 Å²	98.7	49%	0.488	50%	0.496	S	S	.	.	H	α-helix	trans	-63.5	-40.9	175.3	0	0	0	0	0	111.2	V1108 I1109 R1115 K1116	V1108-A1112 WeakPolarHBondContact O-CB 3.37Å; V1108-A1112 PolarHBondContact O-N 3.43Å; I1109-A1112 PolarHBondContact O-N 3.19Å; A1112-R1115 PolarHBondContact O-N 3.43Å; A1112-K1116 WeakPolarHBondContact O-CB 3.49Å; A1112-K1116 PolarHBondContact O-N 3.2Å
1113	F	75.1	Confident	69.8	Low	130 Å²	130	100.4 Å²	100.4	57%	0.57	50%	0.502	S	S	*	.	H	α-helix	trans	-62.8	-50.6	175.4	-175.7	-93.7	0	0	0	112	I1109 L1110 K1111 R1115 K1116 Q1117	I1109-F1113 WeakPolarHBondContact O-CB 3.49Å; I1109-F1113 PolarHBondContact O-N 2.89Å; L1110-F1113 PolarHBondContact O-N 3.21Å; K1111-F1113 VanDerWaalsContact C-N 3.32Å; F1113-R1115 VanDerWaalsContact C-N 3.33Å; F1113-R1115 PolarHBondContact O-N 2.95Å; F1113-K1116 WeakPolarHBondContact O-CB 3.28Å; F1113-K1116 PolarHBondContact O-N 3.49Å; F1113-Q1117 PolarHBondContact O-N 2.94Å
1114	I	68.8	Low	67.8	Low	77 Å²	77	100.8 Å²	100.8	40%	0.395	51%	0.505	S	S	.	.	H	α-helix	trans	-61	-42.3	176.8	-67.8	166.1	0	0	0	110.9	L1110 K1116 Q1117 I1118	L1110-I1114 HydrophobicContact CD1-CD1 4.34Å; L1110-I1114 HydrophobicContact CG-CD1 3.96Å; L1110-I1114 WeakPolarHBondContact O-CB 3.38Å; L1110-I1114 VanDerWaalsContact O-CG1 3.26Å; L1110-I1114 WeakPolarHBondContact O-CG1 3.44Å; L1110-I1114 PolarHBondContact O-N 3.01Å; I1114-K1116 VanDerWaalsContact C-N 3.32Å; I1114-K1116 PolarHBondContact O-N 3.47Å; I1114-Q1117 PolarHBondContact O-N 3.08Å; I1114-I1118 HydrophobicContact CG2-CD1 3.66Å; I1114-I1118 HydrophobicContact CG2-CG1 4.26Å; I1114-I1118 VanDerWaalsContact O-CG1 3.32Å; I1114-I1118 WeakPolarHBondContact O-CG1 3.49Å; I1114-I1118 PolarHBondContact O-N 2.85Å
1115	R	62.9	Low	65.8	Low	190 Å²	190	102 Å²	102	72%	0.717	51%	0.514	S	S	*	.	H	α-helix	trans	-62.9	-39.9	177.9	-164.4	-179.9	-157.8	-172.8	4.7	111.7	K1111 A1112 F1113 L1119	K1111-R1115 VanDerWaalsContact O-CB 3.24Å; K1111-R1115 WeakPolarHBondContact O-CB 3.32Å; K1111-R1115 PolarHBondContact O-N 3.4Å; A1112-R1115 PolarHBondContact O-N 3.43Å; F1113-R1115 VanDerWaalsContact C-N 3.33Å; F1113-R1115 PolarHBondContact O-N 2.95Å; R1115-L1119 HydrophobicContact CG-CD1 4.44Å; R1115-L1119 WeakPolarHBondContact O-CB 3.45Å; R1115-L1119 PolarHBondContact O-N 2.8Å
1116	K	63.9	Low	63.6	Low	142 Å²	142	108 Å²	108	62%	0.617	53%	0.534	S	S	*	.	H	α-helix	trans	-65	-41.1	174.2	-170.4	178	179.6	-179.1	0	111.1	A1112 F1113 I1114 L1119 L1120	A1112-K1116 WeakPolarHBondContact O-CB 3.49Å; A1112-K1116 PolarHBondContact O-N 3.2Å; F1113-K1116 WeakPolarHBondContact O-CB 3.28Å; F1113-K1116 PolarHBondContact O-N 3.49Å; I1114-K1116 VanDerWaalsContact C-N 3.32Å; I1114-K1116 PolarHBondContact O-N 3.47Å; K1116-L1119 PolarHBondContact O-N 3.02Å; K1116-L1120 HydrophobicContact CG-CD1 4.09Å; K1116-L1120 WeakPolarHBondContact O-CB 3.25Å; K1116-L1120 WeakPolarHBondContact O-CD1 3.36Å; K1116-L1120 WeakPolarHBondContact O-CG 3.26Å; K1116-L1120 PolarHBondContact O-N 3.18Å
1117	Q	61.1	Low	61.3	Low	87 Å²	87	109.4 Å²	109.4	41%	0.407	55%	0.547	S	S	.	.	H	α-helix	trans	-66.2	-42.8	177.2	-168.9	170.6	-9.2	0	0	112.4	F1113 I1114 L1119 L1120 E1121	F1113-Q1117 PolarHBondContact O-N 2.94Å; I1114-Q1117 PolarHBondContact O-N 3.08Å; Q1117-L1119 PolarHBondContact O-N 3.23Å; Q1117-L1120 PolarHBondContact O-N 3.37Å; Q1117-E1121 PolarHBondContact NE2-OE1 3.43Å; Q1117-E1121 WeakPolarHBondContact O-CB 3.34Å; Q1117-E1121 PolarHBondContact O-N 2.92Å
1118	I	57.8	Low	58.9	Low	106 Å²	106	110.4 Å²	110.4	54%	0.544	56%	0.558	S	S	.	*	H	α-helix	trans	-65.7	-37	175.1	-66.6	168.5	0	0	0	111.5	I1114 L1120 G1122	I1114-I1118 HydrophobicContact CG2-CD1 3.66Å; I1114-I1118 HydrophobicContact CG2-CG1 4.26Å; I1114-I1118 VanDerWaalsContact O-CG1 3.32Å; I1114-I1118 WeakPolarHBondContact O-CG1 3.49Å; I1114-I1118 PolarHBondContact O-N 2.85Å; I1118-L1120 VanDerWaalsContact C-N 3.35Å; I1118-G1122 WeakPolarHBondContact O-CA 3.28Å; I1118-G1122 PolarHBondContact O-N 2.91Å
1119	L	54.8	Low	56.4	Low	111 Å²	111	111.9 Å²	111.9	58%	0.581	57%	0.572	S	S	*	*	H	α-helix	trans	-66.7	-35.4	173.2	-94.6	154.2	0	0	0	112.3	R1115 K1116 Q1117 N1123	R1115-L1119 HydrophobicContact CG-CD1 4.44Å; R1115-L1119 WeakPolarHBondContact O-CB 3.45Å; R1115-L1119 PolarHBondContact O-N 2.8Å; K1116-L1119 PolarHBondContact O-N 3.02Å; Q1117-L1119 PolarHBondContact O-N 3.23Å; L1119-N1123 PolarHBondContact O-N 3.42Å
1120	L	53	Low	54	Low	105 Å²	105	111.8 Å²	111.8	55%	0.55	58%	0.579	S	S	.	*	H	α-helix	trans	-72.5	-40.9	176.2	-72.5	164.5	0	0	0	112	K1116 Q1117 I1118 Q1124	K1116-L1120 HydrophobicContact CG-CD1 4.09Å; K1116-L1120 WeakPolarHBondContact O-CB 3.25Å; K1116-L1120 WeakPolarHBondContact O-CD1 3.36Å; K1116-L1120 WeakPolarHBondContact O-CG 3.26Å; K1116-L1120 PolarHBondContact O-N 3.18Å; Q1117-L1120 PolarHBondContact O-N 3.37Å; I1118-L1120 VanDerWaalsContact C-N 3.35Å; L1120-Q1124 PolarHBondContact O-N 3.45Å
1121	E	50	Low	51.6	Low	94 Å²	94	113.3 Å²	113.3	44%	0.439	59%	0.593	S	S	.	*	H	α-helix	trans	-71.3	-37	174.6	-74.9	173.5	-171.5	0	0	111.8	Q1117 N1123 Q1124 I1125	Q1117-E1121 PolarHBondContact NE2-OE1 3.43Å; Q1117-E1121 WeakPolarHBondContact O-CB 3.34Å; Q1117-E1121 PolarHBondContact O-N 2.92Å; E1121-N1123 VanDerWaalsContact C-N 3.34Å; E1121-N1123 PolarHBondContact O-N 3.36Å; E1121-Q1124 PolarHBondContact O-N 2.89Å; E1121-I1125 WeakPolarHBondContact O-CG1 3.46Å; E1121-I1125 PolarHBondContact O-N 3.4Å
1122	G	42.7	Very low	49.3	Very low	31 Å²	31	112 Å²	112	32%	0.32	60%	0.6	S	S	.	*	H	α-helix	trans	-63.4	-35.6	175.6	0	0	0	0	0	113.5	I1118 Q1124 I1125 H1126	I1118-G1122 WeakPolarHBondContact O-CA 3.28Å; I1118-G1122 PolarHBondContact O-N 2.91Å; G1122-Q1124 VanDerWaalsContact C-N 3.3Å; G1122-Q1124 PolarHBondContact O-N 2.85Å; G1122-I1125 PolarHBondContact O-N 2.89Å; G1122-H1126 PolarHBondContact O-N 3.41Å; G1122-H1126 VanDerWaalsContact O-N 3.17Å
1123	N	44.4	Very low	47.4	Very low	111 Å²	111	115 Å²	115	59%	0.594	61%	0.612	S	S	*	*	H	α-helix	trans	-71.1	-22.6	172.5	-84.3	-4.5	0	0	0	113.2	L1119 E1121	L1119-N1123 PolarHBondContact O-N 3.42Å; E1121-N1123 VanDerWaalsContact C-N 3.34Å; E1121-N1123 PolarHBondContact O-N 3.36Å
1124	Q	44.7	Very low	45.3	Very low	147 Å²	147	116.8 Å²	116.8	69%	0.687	62%	0.622	S	S	*	*	H	α-helix	trans	-81.4	-35.5	173.3	-73.7	-177.2	-11.3	0	0	112.2	L1120 E1121 G1122 N1127	L1120-Q1124 PolarHBondContact O-N 3.45Å; E1121-Q1124 PolarHBondContact O-N 2.89Å; G1122-Q1124 VanDerWaalsContact C-N 3.3Å; G1122-Q1124 PolarHBondContact O-N 2.85Å; Q1124-N1127 PolarHBondContact O-N 3.5Å
1125	I	42.7	Very low	43.4	Very low	117 Å²	117	120.9 Å²	120.9	60%	0.6	64%	0.644	S	S	*	*	H	α-helix	trans	-72.2	-30.1	178.7	-63.8	164.3	0	0	0	111.6	E1121 G1122 N1127 S1128	E1121-I1125 WeakPolarHBondContact O-CG1 3.46Å; E1121-I1125 PolarHBondContact O-N 3.4Å; G1122-I1125 PolarHBondContact O-N 2.89Å; I1125-N1127 PolarHBondContact O-N 2.82Å; I1125-S1128 PolarHBondContact O-N 3.04Å; I1125-S1128 PolarHBondContact O-OG 2.87Å
1126	H	40.2	Very low	41.8	Very low	170 Å²	170	117 Å²	117	79%	0.787	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-15.3	176	-113.5	-33.1	0	0	0	114.5	G1122	G1122-H1126 PolarHBondContact O-N 3.41Å; G1122-H1126 VanDerWaalsContact O-N 3.17Å
1127	N	39.1	Very low	40.2	Very low	152 Å²	152	115.4 Å²	115.4	81%	0.813	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-3.4	175.9	-75.4	-15.8	0	0	0	113.8	Q1124 I1125	Q1124-N1127 PolarHBondContact O-N 3.5Å; I1125-N1127 PolarHBondContact O-N 2.82Å
1128	S	33.4	Very low	38.7	Very low	73 Å²	73	122.2 Å²	122.2	51%	0.51	67%	0.67	S	S	.	*	S	Bend	trans	-114.3	98.8	173.7	56.2	0	0	0	0	109.6	I1125 P1130	I1125-S1128 PolarHBondContact O-N 3.04Å; I1125-S1128 PolarHBondContact O-OG 2.87Å; S1128-P1130 WeakPolarHBondContact O-CD 3.31Å
1129	S	30.7	Very low	37.3	Very low	111 Å²	111	126.1 Å²	126.1	78%	0.776	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-59.4	123.7	166.3	50	0	0	0	0	109.1
1130	P	34.4	Very low	36.1	Very low	113 Å²	113	125.8 Å²	125.8	73%	0.734	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-62.3	138.3	168.8	25.9	-30.5	0	0	0	108.4	S1128	S1128-P1130 WeakPolarHBondContact O-CD 3.31Å
1131	P	31.8	Very low	35.1	Very low	104 Å²	104	132.6 Å²	132.6	68%	0.675	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-59.3	145	173.6	25.9	-32.4	0	0	0	108.9	V1133	P1131-V1133 PolarHBondContact O-N 2.93Å
1132	P	30.8	Very low	34.1	Very low	123 Å²	123	131.4 Å²	131.4	80%	0.799	73%	0.727	S	S	*	*			trans	-61.6	109.9	174.1	26.4	-31.2	0	0	0	107.5	E1134	P1132-E1134 PolarHBondContact O-N 2.88Å; P1132-E1134 VanDerWaalsContact O-N 3.08Å
1133	V	32.7	Very low	33.5	Very low	122 Å²	122	134.7 Å²	134.7	74%	0.739	75%	0.746	S	S	*	*			trans	-73.8	100.9	170.2	179.3	0	0	0	0	105.9	P1131 L1135	P1131-V1133 PolarHBondContact O-N 2.93Å; V1133-L1135 PolarHBondContact O-N 2.95Å
1134	E	30.9	Very low	33	Very low	167 Å²	167	134.9 Å²	134.9	78%	0.78	76%	0.756	S	S	*	*			trans	-59.8	105.8	165.2	-77.1	-174.5	161.3	0	0	108.5	P1132 T1136	P1132-E1134 PolarHBondContact O-N 2.88Å; P1132-E1134 VanDerWaalsContact O-N 3.08Å; E1134-T1136 PolarHBondContact O-N 2.73Å
1135	L	30.1	Very low	33.2	Very low	163 Å²	163	135.5 Å²	135.5	85%	0.853	76%	0.763	S	S	*	*			trans	-67.6	80.8	167.8	-82.9	157.5	0	0	0	108.8	V1133 S1137	V1133-L1135 PolarHBondContact O-N 2.95Å; L1135-S1137 VanDerWaalsContact C-N 3.31Å; L1135-S1137 PolarHBondContact O-N 2.99Å
1136	T	29	Very low	33.9	Very low	109 Å²	109	133.2 Å²	133.2	67%	0.669	75%	0.747	S	S	*	*			trans	-76.1	88.3	164.3	42.6	0	0	0	0	108.5	E1134 R1138	E1134-T1136 PolarHBondContact O-N 2.73Å; T1136-R1138 PolarHBondContact O-N 3.15Å
1137	S	29.4	Very low	35.1	Very low	107 Å²	107	129 Å²	129	75%	0.748	72%	0.724	S	S	*	*			trans	-68.4	81.7	170.7	64.9	0	0	0	0	110.1	L1135 F1139	L1135-S1137 VanDerWaalsContact C-N 3.31Å; L1135-S1137 PolarHBondContact O-N 2.99Å; S1137-F1139 PolarHBondContact O-N 3.36Å; S1137-F1139 VanDerWaalsContact O-N 3.12Å
1138	R	29.2	Very low	36.4	Very low	231 Å²	231	123.7 Å²	123.7	87%	0.872	70%	0.698	S	S	*	*			trans	-82.7	64.5	163.4	-73.2	-172	-178.6	179.6	2.2	109.8	T1136	T1136-R1138 PolarHBondContact O-N 3.15Å
1139	F	29.5	Very low	38.4	Very low	188 Å²	188	120.2 Å²	120.2	83%	0.825	67%	0.674	S	S	*	*	S	Bend	trans	-130	114.8	158.1	-88.1	-81.8	0	0	0	106.9	S1137 R1141	S1137-F1139 PolarHBondContact O-N 3.36Å; S1137-F1139 VanDerWaalsContact O-N 3.12Å; F1139-R1141 PolarHBondContact O-N 3.37Å; F1139-R1141 VanDerWaalsContact O-N 3.08Å
1140	A	29.8	Very low	40.6	Very low	104 Å²	104	115.4 Å²	115.4	86%	0.86	64%	0.639	S	S	*	*			trans	-56.1	117	173.6	0	0	0	0	0	108.1	G1142	A1140-G1142 VanDerWaalsContact C-N 3.35Å; A1140-G1142 PolarHBondContact O-N 3.15Å
1141	R	31.6	Very low	42.3	Very low	248 Å²	248	110.1 Å²	110.1	94%	0.936	61%	0.605	S	S	*	*			trans	-54.1	104.1	164	-79.8	-179.4	-176.2	177	0.2	106.5	F1139 S1143	F1139-R1141 PolarHBondContact O-N 3.37Å; F1139-R1141 VanDerWaalsContact O-N 3.08Å; R1141-S1143 PolarHBondContact O-N 3.16Å
1142	G	29.4	Very low	44.2	Very low	68 Å²	68	105.4 Å²	105.4	70%	0.701	57%	0.574	S	S	*	*			trans	-56.9	123.2	160.5	0	0	0	0	0	106.8	A1140 S1144	A1140-G1142 VanDerWaalsContact C-N 3.35Å; A1140-G1142 PolarHBondContact O-N 3.15Å; G1142-S1144 PolarHBondContact O-N 3.4Å
1143	S	30.5	Very low	45.6	Very low	101 Å²	101	101.3 Å²	101.3	71%	0.706	55%	0.549	S	S	*	.			trans	-14.4	115.8	179.2	54.1	0	0	0	0	115.2	R1141 L1145	R1141-S1143 PolarHBondContact O-N 3.16Å; S1143-L1145 VanDerWaalsContact C-N 3.34Å; S1143-L1145 PolarHBondContact O-N 3.23Å
1144	S	33.5	Very low	47.1	Very low	115 Å²	115	96 Å²	96	80%	0.804	52%	0.516	S	S	*	.			trans	-52.2	94.9	161.4	163.3	0	0	0	0	109.6	G1142 R1146	G1142-S1144 PolarHBondContact O-N 3.4Å; S1144-R1146 PolarHBondContact O-N 2.78Å
1145	L	49.5	Very low	48.4	Very low	159 Å²	159	90.5 Å²	90.5	83%	0.832	50%	0.503	S	S	*	.			trans	-70.2	111.2	157.3	-90.1	144.3	0	0	0	105.9	S1143 R1147	S1143-L1145 VanDerWaalsContact C-N 3.34Å; S1143-L1145 PolarHBondContact O-N 3.23Å; L1145-R1147 PolarHBondContact O-N 3.06Å
1146	R	57.1	Low	49.6	Very low	70 Å²	70	86.9 Å²	86.9	26%	0.264	50%	0.497	S	S	.	.			trans	-39.3	124.3	173.1	177.6	174.5	166.2	-158.2	-4.4	110.8	E597 E601 S1144 S1148	E597-R1146 IonicContact OE1-NH1 3.03Å; E597-R1146 IonicContact OE2-NH1 2.78Å; E597-R1146 PolarHBondContact OE2-NH1 2.88Å; E601-R1146 HydrophobicContact CG-CG 4.11Å; S1144-R1146 PolarHBondContact O-N 2.78Å; R1146-S1148 PolarHBondContact O-N 3.01Å
1147	R	65.4	Low	50.6	Low	82 Å²	82	82.4 Å²	82.4	31%	0.309	47%	0.472	S	S	.	.			trans	-76	103.9	-179.1	179.6	-179.6	167.7	-166	-10.6	109.7	A604 N699 Y702 L1145 S1149	A604-R1147 WeakPolarHBondContact CB-O 3.5Å; N699-R1147 PolarHBondContact OD1-NH2 3.14Å; Y702-R1147 VanDerWaalsContact CD2-NH1 3.29Å; Y702-R1147 VanDerWaalsContact CE2-CZ 3.44Å; L1145-R1147 PolarHBondContact O-N 3.06Å; R1147-S1149 PolarHBondContact O-N 3.38Å
1148	S	66.2	Low	51.6	Low	39 Å²	39	79 Å²	79	27%	0.273	45%	0.448	S	S	.	.			trans	-69.3	125.4	168.2	173.6	0	0	0	0	109.6	D579 R1146 Y1150	D579-S1148 VanDerWaalsContact CG-OG 3.28Å; D579-S1148 WeakPolarHBondContact OD1-CB 3.38Å; D579-S1148 PolarHBondContact OD1-OG 2.91Å; D579-S1148 WeakPolarHBondContact OD2-CB 3.44Å; D579-S1148 PolarHBondContact OD2-OG 2.7Å; R1146-S1148 PolarHBondContact O-N 3.01Å; S1148-Y1150 WeakPolarHBondContact OG-CB 3.21Å; S1148-Y1150 PolarHBondContact OG-N 3.43Å
1149	S	74.4	Confident	52.4	Low	1 Å²	1	68 Å²	68	1%	0.007	41%	0.406	C	S	.	.			trans	-101	18.8	172.4	-70.4	0	0	0	0	112.8	A604 L608 R609 T610 N699 R1147 A1151	A604-S1149 WeakPolarHBondContact CA-OG 3.46Å; A604-S1149 WeakPolarHBondContact CB-OG 3.38Å; L608-S1149 VanDerWaalsContact O-CB 3.26Å; L608-S1149 WeakPolarHBondContact O-CB 3.13Å; R609-S1149 WeakPolarHBondContact CA-O 3.32Å; T610-S1149 PolarHBondContact N-O 3.38Å; N699-S1149 PolarHBondContact ND2-O 3.01Å; R1147-S1149 PolarHBondContact O-N 3.38Å; S1149-A1151 PolarHBondContact O-N 3.12Å
1150	Y	78.2	Confident	53.4	Low	9 Å²	9	66.4 Å²	66.4	4%	0.035	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-59.3	128.5	176.4	166.8	-104.7	0	0	0	111.6	F553 R558 A578 L611 E695 S1148 I1152	F553-Y1150 WeakPolarHBondContact CE2-OH 3.47Å; R558-Y1150 WeakPolarHBondContact CA-OH 3.45Å; R558-Y1150 HydrophobicContact CB-CE1 4.03Å; R558-Y1150 WeakPolarHBondContact CB-OH 3.37Å; R558-Y1150 HydrophobicContact CG-CE1 4.32Å; R558-Y1150 PolarHBondContact O-OH 2.93Å; A578-Y1150 VanDerWaalsContact CA-CE2 3.43Å; A578-Y1150 HydrophobicContact CB-CD1 3.5Å; A578-Y1150 HydrophobicContact CB-CD2 3.48Å; A578-Y1150 VanDerWaalsContact CB-CD2 3.48Å; A578-Y1150 HydrophobicContact CB-CE1 3.64Å; A578-Y1150 HydrophobicContact CB-CE2 3.57Å; A578-Y1150 HydrophobicContact CB-CG 3.38Å; L611-Y1150 HydrophobicContact CD2-CD2 3.72Å; L611-Y1150 HydrophobicContact CD2-CE2 3.42Å; L611-Y1150 VanDerWaalsContact CD2-CE2 3.42Å; E695-Y1150 WeakPolarHBondContact CB-O 3.17Å; S1148-Y1150 WeakPolarHBondContact OG-CB 3.21Å; S1148-Y1150 PolarHBondContact OG-N 3.43Å; Y1150-I1152 HydrophobicContact CE2-CB 4.32Å; Y1150-I1152 HydrophobicContact CE2-CG2 4.22Å; Y1150-I1152 WeakPolarHBondContact OH-CG2 3.36Å
1151	A	69.3	Low	54.2	Low	2 Å²	2	64.3 Å²	64.3	2%	0.017	37%	0.369	C	S	.	.			trans	-150.4	134.5	168.5	0	0	0	0	0	110	R609 T696 S1149	R609-A1151 HydrophobicContact CB-CB 4.33Å; R609-A1151 HydrophobicContact CG-CB 3.97Å; T696-A1151 VanDerWaalsContact OG1-CB 3.31Å; T696-A1151 WeakPolarHBondContact OG1-CB 3.43Å; S1149-A1151 PolarHBondContact O-N 3.12Å
1152	I	72.7	Confident	54.9	Low	6 Å²	6	55.1 Å²	55.1	3%	0.031	34%	0.338	C	S	.	.			trans	-140	133.7	169.3	-159.8	172.3	0	0	0	110	D511 F553 L611 K693 Y1150 Q1154	D511-I1152 HydrophobicContact CB-CG1 4.19Å; D511-I1152 WeakPolarHBondContact OD2-CA 3.35Å; F553-I1152 HydrophobicContact CD2-CD1 4.38Å; F553-I1152 HydrophobicContact CD2-CG2 4.2Å; F553-I1152 HydrophobicContact CE1-CG2 3.96Å; F553-I1152 HydrophobicContact CE2-CD1 4.42Å; F553-I1152 HydrophobicContact CE2-CG2 3.32Å; F553-I1152 HydrophobicContact CZ-CG2 3.18Å; L611-I1152 HydrophobicContact CD1-CD1 4.46Å; L611-I1152 HydrophobicContact CD2-CB 4.49Å; L611-I1152 HydrophobicContact CD2-CD1 4.34Å; K693-I1152 PolarHBondContact NZ-O 3Å; Y1150-I1152 HydrophobicContact CE2-CB 4.32Å; Y1150-I1152 HydrophobicContact CE2-CG2 4.22Å; Y1150-I1152 WeakPolarHBondContact OH-CG2 3.36Å; I1152-Q1154 HydrophobicContact CG1-CB 4.46Å; I1152-Q1154 PolarHBondContact O-N 3.21Å
1153	S	59.9	Low	55.3	Low	37 Å²	37	54.8 Å²	54.8	26%	0.259	32%	0.318	S	S	.	.			trans	-100.1	59	-175.3	52	0	0	0	0	111.5	S509 P510 D511	S509-S1153 WeakPolarHBondContact CB-O 3.48Å; S509-S1153 PolarHBondContact OG-O 3.36Å; P510-S1153 WeakPolarHBondContact CD-OG 3.35Å; P510-S1153 WeakPolarHBondContact CG-OG 3.48Å; D511-S1153 WeakPolarHBondContact OD2-CB 3.3Å; D511-S1153 PolarHBondContact OD2-N 3.41Å; D511-S1153 PolarHBondContact OD2-OG 2.9Å
1154	Q	63.6	Low	55.7	Low	11 Å²	11	52.5 Å²	52.5	5%	0.051	30%	0.302	C	S	.	.			trans	-125.2	134.4	-179.9	-164.9	170.9	9.1	0	0	111.4	T493 F553 M560 I1152	T493-Q1154 PolarHBondContact OG1-NE2 2.88Å; F553-Q1154 HydrophobicContact CB-CG 4.16Å; F553-Q1154 HydrophobicContact CD1-CB 3.64Å; F553-Q1154 HydrophobicContact CD1-CG 3.95Å; F553-Q1154 HydrophobicContact CE1-CB 4.09Å; F553-Q1154 VanDerWaalsContact CE1-O 3.23Å; F553-Q1154 WeakPolarHBondContact CE1-O 3.47Å; F553-Q1154 HydrophobicContact CG-CB 4.14Å; F553-Q1154 HydrophobicContact CG-CG 4.25Å; M560-Q1154 VanDerWaalsContact CE-NE2 3.33Å; I1152-Q1154 HydrophobicContact CG1-CB 4.46Å; I1152-Q1154 PolarHBondContact O-N 3.21Å
1155	G	58.3	Low	55.7	Low	50 Å²	50	51.4 Å²	51.4	52%	0.515	30%	0.3	S	S	.	.			trans	-82.2	-171.1	168.7	0	0	0	0	0	112.4	G1157	G1155-G1157 PolarHBondContact O-N 2.89Å
1156	A	54.9	Low	54.8	Low	88 Å²	88	49.5 Å²	49.5	73%	0.727	30%	0.295	S	S	*	.	S	Bend	trans	-65.8	124.8	169.5	0	0	0	0	0	109.2
1157	G	51.1	Low	53.5	Low	14 Å²	14	49.3 Å²	49.3	14%	0.144	30%	0.304	C	S	.	.			trans	-81.3	170	-175.3	0	0	0	0	0	114.6	G1155 G1159	G1155-G1157 PolarHBondContact O-N 2.89Å; G1157-G1159 VanDerWaalsContact C-N 3.29Å; G1157-G1159 PolarHBondContact O-N 3.25Å
1158	P	48.7	Very low	51.6	Low	36 Å²	36	52.9 Å²	52.9	23%	0.234	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	3.8	179.9	34.6	-36.5	0	0	0	114.2	Y185 R1160 L1161	Y185-P1158 HydrophobicContact CD1-CB 4.11Å; Y185-P1158 HydrophobicContact CE1-CB 3.78Å; P1158-R1160 PolarHBondContact O-N 3.46Å; P1158-L1161 WeakPolarHBondContact O-CB 3.39Å; P1158-L1161 PolarHBondContact O-N 2.98Å
1159	G	47	Very low	49.8	Very low	0 Å²	0	58.5 Å²	58.5	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-57.8	-24.9	-176.2	0	0	0	0	0	113.3	D552 G1157 L1161 I1162 H1163	D552-G1159 VanDerWaalsContact CG-CA 3.44Å; D552-G1159 VanDerWaalsContact OD1-CA 3.3Å; D552-G1159 WeakPolarHBondContact OD1-CA 3.37Å; D552-G1159 PolarHBondContact OD1-N 3.14Å; D552-G1159 WeakPolarHBondContact OD2-CA 3.48Å; D552-G1159 PolarHBondContact OD2-N 3.47Å; G1157-G1159 VanDerWaalsContact C-N 3.29Å; G1157-G1159 PolarHBondContact O-N 3.25Å; G1159-L1161 VanDerWaalsContact C-N 3.25Å; G1159-L1161 PolarHBondContact O-N 3.38Å; G1159-I1162 WeakPolarHBondContact O-CB 3.31Å; G1159-I1162 PolarHBondContact O-N 3.27Å; G1159-I1162 VanDerWaalsContact O-N 3.1Å; G1159-H1163 PolarHBondContact O-CD2 2.87Å; G1159-H1163 PolarHBondContact O-N 3.4Å
1160	R	51.4	Low	47.4	Very low	154 Å²	154	68.1 Å²	68.1	58%	0.581	39%	0.386	S	S	*	.	H	α-helix	trans	-54.5	-36.4	168.3	-171.1	177.3	174.9	-166.9	-5.3	113.8	D552 P1158 S1164	D552-R1160 PolarHBondContact OD2-N 2.78Å; P1158-R1160 PolarHBondContact O-N 3.46Å; R1160-S1164 PolarHBondContact O-N 2.9Å
1161	L	45.8	Very low	45	Very low	61 Å²	61	72.7 Å²	72.7	32%	0.319	43%	0.426	S	S	.	.	H	α-helix	trans	-78.7	-27.3	178.1	-67.5	167.5	0	0	0	112.4	L169 Y185 P1158 G1159 H1163 S1164	L169-L1161 HydrophobicContact CD2-CD1 4.32Å; Y185-L1161 HydrophobicContact CD2-CD1 4.33Å; Y185-L1161 HydrophobicContact CE2-CD1 3.81Å; P1158-L1161 WeakPolarHBondContact O-CB 3.39Å; P1158-L1161 PolarHBondContact O-N 2.98Å; G1159-L1161 VanDerWaalsContact C-N 3.25Å; G1159-L1161 PolarHBondContact O-N 3.38Å; L1161-H1163 PolarHBondContact O-N 3.28Å; L1161-S1164 PolarHBondContact O-OG 3.41Å
1162	I	45.5	Very low	42.9	Very low	54 Å²	54	80.9 Å²	80.9	28%	0.277	46%	0.464	S	S	.	.	H	α-helix	trans	-67	-31.1	174.4	-55.4	179	0	0	0	110.2	R531 L550 G1159	R531-I1162 HydrophobicContact CG-CG2 4.36Å; R531-I1162 PolarHBondContact NE-O 3.15Å; R531-I1162 VanDerWaalsContact NE-O 3.11Å; R531-I1162 PolarHBondContact NH2-O 3.45Å; L550-I1162 HydrophobicContact CD2-CD1 3.97Å; G1159-I1162 WeakPolarHBondContact O-CB 3.31Å; G1159-I1162 PolarHBondContact O-N 3.27Å; G1159-I1162 VanDerWaalsContact O-N 3.1Å
1163	H	38	Very low	40.7	Very low	61 Å²	61	85 Å²	85	28%	0.282	50%	0.498	S	S	.	.	H	α-helix	trans	-88.9	-21	-178	-74	-69.5	0	0	0	115.8	L550 G1159 L1161 A1165	L550-H1163 PolarHBondContact N-NE2 3.38Å; L550-H1163 PolarHBondContact O-NE2 2.67Å; G1159-H1163 PolarHBondContact O-CD2 2.87Å; G1159-H1163 PolarHBondContact O-N 3.4Å; L1161-H1163 PolarHBondContact O-N 3.28Å; H1163-A1165 PolarHBondContact O-N 2.92Å; H1163-A1165 VanDerWaalsContact O-N 3.11Å
1164	S	38.8	Very low	39.2	Very low	54 Å²	54	91.9 Å²	91.9	38%	0.378	53%	0.531	S	S	.	.			trans	-62.7	117.6	-175.8	49.5	0	0	0	0	111.8	R531 R1160 L1161 T1166	R531-S1164 PolarHBondContact NH2-O 3.37Å; R1160-S1164 PolarHBondContact O-N 2.9Å; L1161-S1164 PolarHBondContact O-OG 3.41Å; S1164-T1166 PolarHBondContact O-N 3.19Å
1165	A	34.8	Very low	37.4	Very low	92 Å²	92	100.7 Å²	100.7	76%	0.76	57%	0.569	S	S	*	*			trans	-77.3	26.2	-170.2	0	0	0	0	0	115.2	H1163 S1167	H1163-A1165 PolarHBondContact O-N 2.92Å; H1163-A1165 VanDerWaalsContact O-N 3.11Å; A1165-S1167 PolarHBondContact O-N 3.05Å
1166	T	30.2	Very low	36	Very low	119 Å²	119	106.7 Å²	106.7	73%	0.73	58%	0.584	S	S	*	*			trans	-101.4	72.2	175	44.8	0	0	0	0	110.5	S1164	S1164-T1166 PolarHBondContact O-N 3.19Å
1167	S	30.3	Very low	34.7	Very low	66 Å²	66	111.8 Å²	111.8	46%	0.462	59%	0.593	S	S	.	*			trans	-152.5	104.5	165.9	66.7	0	0	0	0	109.7	R531 A1165	R531-S1167 PolarHBondContact NH1-OG 3.47Å; A1165-S1167 PolarHBondContact O-N 3.05Å
1168	I	23.9	Very low	33.5	Very low	157 Å²	157	120 Å²	120	81%	0.805	62%	0.624	S	S	*	*			trans	-100.9	121.8	169	-70.2	177.8	0	0	0	108.1
1169	Q	30	Very low	32.7	Very low	156 Å²	156	124.7 Å²	124.7	73%	0.729	65%	0.652	S	S	*	*			trans	96.7	136.7	145.6	-88.1	-177.5	18.9	0	0	125.2
1170	R	23.9	Very low	31.6	Very low	203 Å²	203	130.1 Å²	130.1	77%	0.766	69%	0.69	S	S	*	*			trans	87.5	96.3	144.7	-81.6	178.8	-178.2	175.4	2	119.4	E1172	R1170-E1172 PolarHBondContact O-N 3.46Å
1171	A	26.7	Very low	30.6	Very low	105 Å²	105	128.9 Å²	128.9	87%	0.868	70%	0.7	S	S	*	*			trans	-59.6	118.3	147.4	0	0	0	0	0	110.3
1172	E	25.8	Very low	29.7	Very low	175 Å²	175	131.8 Å²	131.8	82%	0.818	73%	0.725	S	S	*	*			trans	-122.4	114.1	156.4	-84.3	-172.1	168.3	0	0	109.8	R1170	R1170-E1172 PolarHBondContact O-N 3.46Å
1173	A	26.6	Very low	28.9	Very low	91 Å²	91	138.3 Å²	138.3	75%	0.752	75%	0.752	S	S	*	*			trans	44	89.9	143.1	0	0	0	0	0	119.4	K1175	A1173-K1175 PolarHBondContact O-N 2.96Å
1174	L	27.1	Very low	28.6	Very low	183 Å²	183	145 Å²	145	96%	0.958	78%	0.78	S	S	*	*			trans	-67.4	103.7	142.8	-86	156.7	0	0	0	108.2
1175	K	26.7	Very low	28.2	Very low	196 Å²	196	148.8 Å²	148.8	85%	0.852	80%	0.8	S	S	*	*			trans	-69.4	127.3	164.3	-92.2	178.6	175.5	173.9	0	109	A1173 E1177	A1173-K1175 PolarHBondContact O-N 2.96Å; K1175-E1177 PolarHBondContact O-N 3.49Å
1176	E	29	Very low	27.9	Very low	176 Å²	176	151.9 Å²	151.9	82%	0.822	80%	0.804	S	S	*	*			trans	-53.5	114.2	165.9	-64.5	175.6	153.4	0	0	110.8	K1178	E1176-K1178 PolarHBondContact O-N 3.07Å
1177	E	27.3	Very low	27.8	Very low	194 Å²	194	149.8 Å²	149.8	91%	0.907	81%	0.807	S	S	*	*			trans	-84	103.4	159	-102.3	-174.3	165.6	0	0	108.9	K1175 V1179	K1175-E1177 PolarHBondContact O-N 3.49Å; E1177-V1179 PolarHBondContact O-N 3.46Å
1178	K	27.1	Very low	27.8	Very low	186 Å²	186	152.8 Å²	152.8	81%	0.809	83%	0.826	S	S	*	*			trans	-60.5	119.6	168.4	-81.1	177.3	175.3	173.9	0	109.8	E1176 S1180	E1176-K1178 PolarHBondContact O-N 3.07Å; K1178-S1180 PolarHBondContact O-N 3.24Å; K1178-S1180 VanDerWaalsContact O-N 3.09Å
1179	V	30.1	Very low	28.1	Very low	136 Å²	136	149 Å²	149	82%	0.824	83%	0.825	S	S	*	*			trans	-50.8	109.7	160.1	175.7	0	0	0	0	109	E1177	E1177-V1179 PolarHBondContact O-N 3.46Å
1180	S	25.6	Very low	28.3	Very low	114 Å²	114	147 Å²	147	80%	0.797	82%	0.824	S	S	*	*			trans	-89.6	120	168.3	62.3	0	0	0	0	109.3	K1178 S1182	K1178-S1180 PolarHBondContact O-N 3.24Å; K1178-S1180 VanDerWaalsContact O-N 3.09Å; S1180-S1182 PolarHBondContact O-N 2.85Å
1181	T	29.1	Very low	29	Very low	128 Å²	128	144.9 Å²	144.9	79%	0.785	83%	0.827	S	S	*	*			trans	-70.6	114.3	175.9	34.9	0	0	0	0	110.1	K1183	T1181-K1183 PolarHBondContact O-N 3.41Å
1182	S	27.9	Very low	29.2	Very low	121 Å²	121	150.8 Å²	150.8	85%	0.846	84%	0.844	S	S	*	*			trans	-68.3	109.3	170.6	175.5	0	0	0	0	110.3	S1180	S1180-S1182 PolarHBondContact O-N 2.85Å
1183	K	28.8	Very low	29.4	Very low	192 Å²	192	149.6 Å²	149.6	84%	0.835	85%	0.846	S	S	*	*			trans	-72.6	118	165.4	-90	-179.9	173.7	176.9	0	109.2	T1181 V1185	T1181-K1183 PolarHBondContact O-N 3.41Å; K1183-V1185 PolarHBondContact O-N 3.42Å
1184	K	30.7	Very low	29.5	Very low	200 Å²	200	152.7 Å²	152.7	87%	0.87	85%	0.851	S	S	*	*			trans	-56	122.4	160.3	-82.2	177.7	172.1	177.3	0	109.8
1185	V	29.7	Very low	29.7	Very low	134 Å²	134	151 Å²	151	81%	0.812	85%	0.845	S	S	*	*			trans	-104.9	117.4	161.4	175	0	0	0	0	107.4	K1183	K1183-V1185 PolarHBondContact O-N 3.42Å
1186	N	30.3	Very low	29.9	Very low	157 Å²	157	148.4 Å²	148.4	84%	0.84	84%	0.844	S	S	*	*			trans	-68.4	125.1	168.2	-72.9	-25.7	0	0	0	109.1
1187	G	28.1	Very low	29.9	Very low	76 Å²	76	146.6 Å²	146.6	78%	0.784	85%	0.846	S	S	*	*			trans	-122.6	100.8	166.5	0	0	0	0	0	109.1
1188	C	30.1	Very low	30.1	Very low	128 Å²	128	143.5 Å²	143.5	87%	0.865	84%	0.841	S	S	*	*			trans	-71.5	132.5	170.1	-166.5	0	0	0	0	109.1
1189	G	28.5	Very low	30.3	Very low	77 Å²	77	140.4 Å²	140.4	79%	0.794	84%	0.844	S	S	*	*			trans	-153.1	99.7	171.7	0	0	0	0	0	108.9
1190	T	35.3	Very low	30.3	Very low	115 Å²	115	140.8 Å²	140.8	71%	0.706	85%	0.845	S	S	*	*			trans	-80.9	161.8	178.5	27.9	0	0	0	0	112.8
1191	L	38.2	Very low	30.7	Very low	159 Å²	159	143 Å²	143	83%	0.832	85%	0.849	S	S	*	*			trans	80.9	115.1	168.5	-57.3	142.7	0	0	0	113.5
1192	N	31.9	Very low	30.8	Very low	229 Å²	229	144.4 Å²	144.4	100%	1.225	86%	0.855	S	S	*	*			cis	-142.3	0	28	-98.6	-19.9	0	0	0	112.3

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