A0A3Q0KBZ9_SCHMA Loading...

Calcium-transporting ATPase

Catalyzes the hydrolysis of ATP coupled with the transport of calcium.

AlphaFold DB (Q27779), UniProt , Accession A0A3Q0KBZ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,022 aa.

						>A0A3Q0KBZ9_SCHMA|A0A3Q0KBZ9
MLEEAYSCTVDDILKHYNTNTETGLTKRQIESSLKEYGYNELPPEENKPLWKLVLGQFDDLLVKILLLAAIISFVLAWFEDSEDATTAFVEPVVIMLILIVNAIVGVWQERNAESAIEALKEYESDTAKVVRQGYQGVQSVKARELVPGDIVEVAVGDRVPADIRIVKILSTTLLIDQSILTGESVSVSKHSDPISQARAVNQDKKNMLFSGTNVASGKCVGIVVGTGLSTEIGKIRDQIMHTEQDKTPLGQKIDEFGTQLSKVITFICIAVWCINIGHFNDPVHGGSWLRGAVYYFKIAVALAVAAIPEGLPAVITTCLALGTRRMARKNAIVRSLPSVETLGCTTVICSDKTGTLTTNQMTVCRMFTFGNESRIGDALQLKFDEFEITGSKYAPEGNVHHQGRKVDCSEYPCLVELAQICSLCNDSSMEYNESRHAYEKVGEATETALVCLVEKMNVTKVSKSNLTNHQLAMVCNRDIQKMFERKFTLEFSRDRKSMSTYVIPQSQISGSKEKLFVKGAPESILDRCTYVRTAGGKLLLTSELKGEVLRKIATYATGRETLRCLALATRDEPPSHFDLKDPKNFKDYETELTLVGVVGMVDPPRCEVASSIQACKKAGIRVIVITGDNKATAEAICRRIGLFEDKEDTSGKSFTGREFDDLSLEKKKDAVRNGKLFARVEPAHKSLIVQFLQQDGEISAMTGDGVNDAPALKKAEIGIAMGSGTAVAKSASDMVLADDNFSTIVAAVEEGRAIYDNMKQFIRYLISSNIGEVVCIFLTAALGMPEALIPVQLLWVNLVTDGLPATALGFNPPDVDIMTKPPRKSKEPLISGWLFLRYMLIGIYVGCATVGAAAWWFMVYEGGPKVNYYQLTHHLQCQLEPSAFKGVNCSVFASPKPMTMALSVLVLIEMFNALNSLSENQSLVVMPPWHNMWLIAAICFSMTLHFAILYINVLANIFQIAALNIAEWFAVLKISIPVLLLDETQKAIVRSSQRGHSPLYHMAIPMVMWCVYSAFLAFNPL
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	62.5	Low	83.6	Confident	70 Å²	70	58.9 Å²	58.9	35%	0.345	31%	0.312	S	S	.	.				0	148.5	0	-68.9	-170.8	-147	0	0	109.8	E3 Y37 P148 S230	M1-E3 PolarHBondContact O-N 3.11Å; M1-Y37 HydrophobicContact CE-CD1 3.69Å; M1-Y37 HydrophobicContact CE-CE1 4.44Å; M1-Y37 HydrophobicContact CE-CG 4.31Å; M1-Y37 HydrophobicContact CG-CD1 3.96Å; M1-Y37 HydrophobicContact CG-CE1 3.77Å; M1-P148 HydrophobicContact CE-CG 4.21Å; M1-P148 HydrophobicContact CG-CG 4.21Å; M1-P148 HydrophobicContact SD-CG 4.23Å; M1-S230 VanDerWaalsContact CE-CB 3.44Å; M1-S230 WeakPolarHBondContact CE-OG 3.11Å; M1-S230 WeakPolarHBondContact SD-CB 3.24Å
2	L	73.2	Confident	84.2	Confident	38 Å²	38	61 Å²	61	20%	0.199	32%	0.323	C	S	.	.			trans	-82.9	89	177.1	-103.2	150.3	0	0	0	110.4	E4 A5 H16 Y17	L2-E4 PolarHBondContact O-N 3.28Å; L2-A5 HydrophobicContact CB-CB 4.23Å; L2-A5 WeakPolarHBondContact O-CB 3.26Å; L2-A5 PolarHBondContact O-N 3.04Å; L2-H16 HydrophobicContact CD1-CB 3.72Å; L2-H16 WeakPolarHBondContact CD1-CD2 3.45Å; L2-H16 VanDerWaalsContact CD1-CG 3.4Å; L2-Y17 HydrophobicContact CD1-CE2 4.01Å; L2-Y17 PolarHBondContact N-OH 3.37Å
3	E	70.4	Confident	84.8	Confident	156 Å²	156	56.3 Å²	56.3	73%	0.729	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-32.2	178.8	-73.1	-166.8	144.4	0	0	113.1	M1	M1-E3 PolarHBondContact O-N 3.11Å
4	E	83.1	Confident	85.2	Confident	100 Å²	100	53.8 Å²	53.8	47%	0.467	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	29.4	178.9	-61.4	-164.8	149	0	0	113.5	L2 Y6 S7	L2-E4 PolarHBondContact O-N 3.28Å; E4-Y6 HydrophobicContact CB-CE1 4.13Å; E4-Y6 HydrophobicContact CG-CE1 4.19Å; E4-Y6 PolarHBondContact O-N 3.14Å; E4-S7 PolarHBondContact O-N 3.41Å; E4-S7 PolarHBondContact O-OG 3.27Å
5	A	88.2	Confident	85.6	Confident	1 Å²	1	61 Å²	61	1%	0.008	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-25.6	178.8	0	0	0	0	0	114.4	L2 S7 C8 I13 R165 M208 V225	L2-A5 HydrophobicContact CB-CB 4.23Å; L2-A5 WeakPolarHBondContact O-CB 3.26Å; L2-A5 PolarHBondContact O-N 3.04Å; A5-S7 PolarHBondContact O-N 3.43Å; A5-C8 PolarHBondContact O-N 3.2Å; A5-I13 HydrophobicContact CB-CD1 4.21Å; A5-I13 WeakPolarHBondContact O-CD1 3.24Å; A5-R165 WeakPolarHBondContact O-CD 3.4Å; A5-R165 PolarHBondContact O-NE 3.04Å; A5-R165 VanDerWaalsContact O-NE 3.17Å; A5-M208 HydrophobicContact CB-SD 4.34Å; A5-V225 HydrophobicContact CB-CB 4.02Å; A5-V225 HydrophobicContact CB-CG1 3.78Å; A5-V225 HydrophobicContact CB-CG2 4.06Å
6	Y	90.3	Very high	85.9	Confident	10 Å²	10	64.3 Å²	64.3	4%	0.039	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-26	176	65.9	-92.3	0	0	0	113.2	E4 I195 Q197 R199 A200 K205 N207	E4-Y6 HydrophobicContact CB-CE1 4.13Å; E4-Y6 HydrophobicContact CG-CE1 4.19Å; E4-Y6 PolarHBondContact O-N 3.14Å; Y6-I195 HydrophobicContact CD2-CB 4.24Å; Y6-I195 HydrophobicContact CD2-CG2 4.47Å; Y6-I195 PolarHBondContact O-N 2.93Å; Y6-Q197 WeakPolarHBondContact CE2-O 3.41Å; Y6-R199 WeakPolarHBondContact OH-CA 3.45Å; Y6-R199 PolarHBondContact OH-N 3.29Å; Y6-R199 VanDerWaalsContact OH-N 3.11Å; Y6-A200 HydrophobicContact CD2-CB 4.09Å; Y6-A200 HydrophobicContact CE2-CB 3.71Å; Y6-K205 HydrophobicContact CD1-CD 4.06Å; Y6-K205 HydrophobicContact CD1-CG 4.27Å; Y6-K205 HydrophobicContact CD2-CG 4.41Å; Y6-K205 HydrophobicContact CG-CD 4.29Å; Y6-K205 HydrophobicContact CG-CG 4.01Å; Y6-N207 WeakPolarHBondContact CB-OD1 3.49Å; Y6-N207 PolarHBondContact O-ND2 2.74Å
7	S	91.3	Very high	86.1	Confident	44 Å²	44	61.9 Å²	61.9	31%	0.308	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-23.2	-179.3	72.1	0	0	0	0	113.1	E4 A5 P194 I195	E4-S7 PolarHBondContact O-N 3.41Å; E4-S7 PolarHBondContact O-OG 3.27Å; A5-S7 PolarHBondContact O-N 3.43Å; S7-P194 WeakPolarHBondContact O-CB 3.48Å; S7-I195 WeakPolarHBondContact CA-O 3.5Å
8	C	89.4	Confident	86.3	Confident	30 Å²	30	65.7 Å²	65.7	20%	0.203	33%	0.334	C	S	.	.	S	Bend	trans	-81.2	153.2	-177.9	-58.2	0	0	0	0	112.5	A5 D12 I13 R165	A5-C8 PolarHBondContact O-N 3.2Å; C8-D12 HydrophobicContact CB-CB 4.43Å; C8-I13 HydrophobicContact CB-CD1 3.94Å; C8-I13 HydrophobicContact CB-CG1 3.75Å; C8-R165 PolarHBondContact O-NH2 3.27Å
9	T	90.9	Very high	86.5	Confident	56 Å²	56	63.1 Å²	63.1	34%	0.344	32%	0.321	S	S	.	.			trans	-71.9	158.5	169.4	74.9	0	0	0	0	110.4	D11 D12 I13 P194	T9-D11 VanDerWaalsContact C-N 3.28Å; T9-D11 PolarHBondContact O-N 3.49Å; T9-D12 PolarHBondContact O-N 2.88Å; T9-D12 PolarHBondContact OG1-N 3.46Å; T9-D12 PolarHBondContact OG1-OD2 3.44Å; T9-I13 WeakPolarHBondContact O-CG1 3.16Å; T9-I13 PolarHBondContact O-N 3.25Å; T9-P194 HydrophobicContact CG2-CG 4.37Å
10	V	90.4	Very high	86.6	Confident	30 Å²	30	64 Å²	64	18%	0.182	33%	0.327	C	S	.	.	H	α-helix	trans	-60.5	-40.6	179.6	174.2	0	0	0	0	111.1	D12 I13 L14 V167	V10-D12 VanDerWaalsContact C-N 3.35Å; V10-D12 PolarHBondContact O-N 3.22Å; V10-I13 PolarHBondContact O-N 2.83Å; V10-L14 HydrophobicContact CG1-CD1 3.86Å; V10-L14 HydrophobicContact CG1-CG 4.3Å; V10-L14 WeakPolarHBondContact O-CG 3.41Å; V10-L14 PolarHBondContact O-N 2.83Å; V10-V167 HydrophobicContact CG1-CB 4.1Å; V10-V167 HydrophobicContact CG1-CG1 3.59Å; V10-V167 HydrophobicContact CG1-CG2 4Å
11	D	90.2	Very high	86.5	Confident	113 Å²	113	63.3 Å²	63.3	60%	0.604	33%	0.326	S	S	*	.	H	α-helix	trans	-65.3	-36.6	-179.5	-68.6	-35.6	0	0	0	112.7	T9 I13 K15	T9-D11 VanDerWaalsContact C-N 3.28Å; T9-D11 PolarHBondContact O-N 3.49Å; D11-I13 VanDerWaalsContact C-N 3.33Å; D11-I13 PolarHBondContact O-N 2.83Å; D11-K15 WeakPolarHBondContact O-CB 3.2Å; D11-K15 WeakPolarHBondContact O-CG 3.43Å; D11-K15 PolarHBondContact O-N 3.18Å
12	D	91.2	Very high	87.5	Confident	84 Å²	84	67.8 Å²	67.8	45%	0.449	35%	0.346	S	S	.	.	H	α-helix	trans	-65.1	-39.6	177.5	-62.9	-38.1	0	0	0	111.4	C8 T9 V10 K15 H16	C8-D12 HydrophobicContact CB-CB 4.43Å; T9-D12 PolarHBondContact O-N 2.88Å; T9-D12 PolarHBondContact OG1-N 3.46Å; T9-D12 PolarHBondContact OG1-OD2 3.44Å; V10-D12 VanDerWaalsContact C-N 3.35Å; V10-D12 PolarHBondContact O-N 3.22Å; D12-K15 PolarHBondContact O-N 3.06Å; D12-H16 WeakPolarHBondContact O-CB 3.23Å; D12-H16 PolarHBondContact O-N 3.07Å
13	I	91	Very high	88.1	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-72.1	-42.9	-179.8	-60.1	166.6	0	0	0	110.3	A5 C8 T9 V10 D11 K15 H16 Y17 R165 I223 V225	A5-I13 HydrophobicContact CB-CD1 4.21Å; A5-I13 WeakPolarHBondContact O-CD1 3.24Å; C8-I13 HydrophobicContact CB-CD1 3.94Å; C8-I13 HydrophobicContact CB-CG1 3.75Å; T9-I13 WeakPolarHBondContact O-CG1 3.16Å; T9-I13 PolarHBondContact O-N 3.25Å; V10-I13 PolarHBondContact O-N 2.83Å; D11-I13 VanDerWaalsContact C-N 3.33Å; D11-I13 PolarHBondContact O-N 2.83Å; I13-K15 VanDerWaalsContact C-N 3.29Å; I13-K15 PolarHBondContact O-N 3.13Å; I13-H16 PolarHBondContact O-N 3Å; I13-H16 VanDerWaalsContact O-N 3.17Å; I13-Y17 HydrophobicContact CG2-CD2 3.85Å; I13-Y17 HydrophobicContact CG2-CE2 3.91Å; I13-Y17 WeakPolarHBondContact O-CD2 3.47Å; I13-Y17 PolarHBondContact O-N 2.92Å; I13-Y17 VanDerWaalsContact O-N 3.11Å; I13-R165 HydrophobicContact CD1-CB 4.25Å; I13-R165 HydrophobicContact CD1-CG 3.59Å; I13-I223 HydrophobicContact CG2-CD1 4.17Å; I13-I223 HydrophobicContact CG2-CG2 3.81Å; I13-V225 HydrophobicContact CG2-CG1 4.18Å
14	L	90.8	Very high	89.1	Confident	21 Å²	21	61.3 Å²	61.3	11%	0.11	32%	0.319	C	S	.	.	H	α-helix	trans	-59.7	-41	174.9	-71	171.1	0	0	0	111.6	V10 N18 T19 T21 I151 I223	V10-L14 HydrophobicContact CG1-CD1 3.86Å; V10-L14 HydrophobicContact CG1-CG 4.3Å; V10-L14 WeakPolarHBondContact O-CG 3.41Å; V10-L14 PolarHBondContact O-N 2.83Å; L14-N18 WeakPolarHBondContact O-CA 3.46Å; L14-N18 PolarHBondContact O-N 3.29Å; L14-T19 HydrophobicContact CD2-CG2 3.82Å; L14-T19 PolarHBondContact O-N 2.73Å; L14-T19 VanDerWaalsContact O-N 3.09Å; L14-T21 HydrophobicContact CD1-CG2 3.82Å; L14-T21 HydrophobicContact CD2-CG2 3.96Å; L14-I151 HydrophobicContact CD2-CD1 4.1Å; L14-I223 HydrophobicContact CD2-CD1 3.99Å
15	K	90.6	Very high	89.5	Confident	162 Å²	162	56.7 Å²	56.7	70%	0.704	30%	0.298	S	S	*	.	H	α-helix	trans	-64.6	-42.6	173.2	-82.8	178.8	-180	170.2	0	112.5	D11 D12 I13 Y17 N18	D11-K15 WeakPolarHBondContact O-CB 3.2Å; D11-K15 WeakPolarHBondContact O-CG 3.43Å; D11-K15 PolarHBondContact O-N 3.18Å; D12-K15 PolarHBondContact O-N 3.06Å; I13-K15 VanDerWaalsContact C-N 3.29Å; I13-K15 PolarHBondContact O-N 3.13Å; K15-Y17 PolarHBondContact O-N 3.04Å; K15-N18 PolarHBondContact O-N 3.04Å; K15-N18 VanDerWaalsContact O-N 3.15Å
16	H	90.8	Very high	89.7	Confident	113 Å²	113	58.8 Å²	58.8	52%	0.523	31%	0.31	S	S	.	.	H	α-helix	trans	-59.7	-45.7	-179.2	-174	86.4	0	0	0	112.2	L2 D12 I13 N18	L2-H16 HydrophobicContact CD1-CB 3.72Å; L2-H16 WeakPolarHBondContact CD1-CD2 3.45Å; L2-H16 VanDerWaalsContact CD1-CG 3.4Å; D12-H16 WeakPolarHBondContact O-CB 3.23Å; D12-H16 PolarHBondContact O-N 3.07Å; I13-H16 PolarHBondContact O-N 3Å; I13-H16 VanDerWaalsContact O-N 3.17Å; H16-N18 VanDerWaalsContact C-N 3.3Å
17	Y	89.2	Confident	89.7	Confident	24 Å²	24	65.3 Å²	65.3	9%	0.094	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-0.3	178	-66.7	-73.9	0	0	0	113.7	L2 I13 K15 T19 P148 I223 V225	L2-Y17 HydrophobicContact CD1-CE2 4.01Å; L2-Y17 PolarHBondContact N-OH 3.37Å; I13-Y17 HydrophobicContact CG2-CD2 3.85Å; I13-Y17 HydrophobicContact CG2-CE2 3.91Å; I13-Y17 WeakPolarHBondContact O-CD2 3.47Å; I13-Y17 PolarHBondContact O-N 2.92Å; I13-Y17 VanDerWaalsContact O-N 3.11Å; K15-Y17 PolarHBondContact O-N 3.04Å; Y17-T19 VanDerWaalsContact C-N 3.31Å; Y17-T19 PolarHBondContact O-N 3.4Å; Y17-P148 HydrophobicContact CD1-CB 4.43Å; Y17-P148 HydrophobicContact CE1-CB 3.68Å; Y17-I223 HydrophobicContact CD2-CD1 4.06Å; Y17-V225 HydrophobicContact CE2-CG1 4.32Å; Y17-V225 PolarHBondContact OH-O 3.38Å
18	N	89.6	Confident	89.7	Confident	130 Å²	130	73.6 Å²	73.6	70%	0.695	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	50.7	-179.8	-150.6	15.9	0	0	0	112.4	L14 K15 H16 Q29	L14-N18 WeakPolarHBondContact O-CA 3.46Å; L14-N18 PolarHBondContact O-N 3.29Å; K15-N18 PolarHBondContact O-N 3.04Å; K15-N18 VanDerWaalsContact O-N 3.15Å; H16-N18 VanDerWaalsContact C-N 3.3Å; N18-Q29 PolarHBondContact O-NE2 2.94Å
19	T	89.6	Confident	89.8	Confident	17 Å²	17	74.5 Å²	74.5	10%	0.104	37%	0.365	C	S	.	.			trans	-128.5	159.8	-175.2	-168.4	0	0	0	0	110.7	L14 Y17 I151 I223	L14-T19 HydrophobicContact CD2-CG2 3.82Å; L14-T19 PolarHBondContact O-N 2.73Å; L14-T19 VanDerWaalsContact O-N 3.09Å; Y17-T19 VanDerWaalsContact C-N 3.31Å; Y17-T19 PolarHBondContact O-N 3.4Å; T19-I151 HydrophobicContact CG2-CD1 4.28Å; T19-I223 HydrophobicContact CG2-CD1 3.42Å; T19-I223 VanDerWaalsContact CG2-CD1 3.42Å
20	N	88.7	Confident	89.8	Confident	80 Å²	80	72.7 Å²	72.7	43%	0.428	35%	0.353	S	S	.	.			trans	-122.8	140.3	178.6	-179.5	-37.6	0	0	0	109.5	E22 T23 G24	N20-E22 VanDerWaalsContact C-N 3.25Å; N20-E22 PolarHBondContact O-N 3.02Å; N20-E22 PolarHBondContact OD1-N 3.38Å; N20-T23 PolarHBondContact O-N 3.13Å; N20-G24 WeakPolarHBondContact O-CA 3.37Å; N20-G24 PolarHBondContact O-N 3.23Å
21	T	84.4	Confident	89.9	Confident	50 Å²	50	77 Å²	77	31%	0.307	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-30.6	179.8	43.3	0	0	0	0	114.8	L14 V167	L14-T21 HydrophobicContact CD1-CG2 3.82Å; L14-T21 HydrophobicContact CD2-CG2 3.96Å; T21-V167 HydrophobicContact CG2-CB 4.48Å; T21-V167 HydrophobicContact CG2-CG1 3.39Å
22	E	84.3	Confident	90	Very high	165 Å²	165	75.1 Å²	75.1	77%	0.771	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-34.2	-177.5	-64.9	-169.1	170.4	0	0	113.2	N20 V131	N20-E22 VanDerWaalsContact C-N 3.25Å; N20-E22 PolarHBondContact O-N 3.02Å; N20-E22 PolarHBondContact OD1-N 3.38Å; E22-V131 WeakPolarHBondContact O-CG1 3.3Å
23	T	86.2	Confident	90	Very high	56 Å²	56	72 Å²	72	34%	0.344	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-26.1	-175.5	62.5	0	0	0	0	113.3	N20 R132 Q133	N20-T23 PolarHBondContact O-N 3.13Å; T23-R132 CarbonylContact O-C 3.55Å; T23-Q133 WeakPolarHBondContact O-CA 3.44Å; T23-Q133 WeakPolarHBondContact O-CB 3.39Å; T23-Q133 PolarHBondContact O-N 3.43Å
24	G	90.6	Very high	90	Very high	2 Å²	2	73.7 Å²	73.7	2%	0.021	36%	0.36	C	S	.	.			trans	64.5	-163.5	-172.3	0	0	0	0	0	114.1	N20 V131	N20-G24 WeakPolarHBondContact O-CA 3.37Å; N20-G24 PolarHBondContact O-N 3.23Å; G24-V131 WeakPolarHBondContact CA-O 3.36Å
25	L	92.7	Very high	90	Very high	3 Å²	3	81.9 Å²	81.9	2%	0.016	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-77.1	149	-177.8	-68.8	178.9	0	0	0	113.2	Q29 I30 Q133 V147 G149 D150	L25-Q29 HydrophobicContact CB-CB 4.41Å; L25-Q29 HydrophobicContact CD2-CB 4.15Å; L25-I30 HydrophobicContact CB-CD1 4.38Å; L25-I30 HydrophobicContact CB-CG1 3.98Å; L25-I30 HydrophobicContact CD1-CG1 4.35Å; L25-Q133 WeakPolarHBondContact O-CB 3.36Å; L25-Q133 PolarHBondContact O-N 3Å; L25-V147 HydrophobicContact CD1-CG2 3.84Å; L25-G149 VanDerWaalsContact CD1-C 3.48Å; L25-G149 WeakPolarHBondContact CG-O 3.33Å; L25-D150 HydrophobicContact CD1-CB 4.47Å
26	T	92.5	Very high	90.1	Very high	44 Å²	44	80.4 Å²	80.4	27%	0.27	39%	0.39	S	S	.	.			trans	-74.6	156.1	167.9	58.9	0	0	0	0	112.3	R28 Q29 I30	T26-R28 PolarHBondContact O-N 3.37Å; T26-Q29 PolarHBondContact O-N 2.9Å; T26-Q29 VanDerWaalsContact O-N 3.07Å; T26-Q29 WeakPolarHBondContact OG1-CB 3.42Å; T26-Q29 VanDerWaalsContact OG1-CG 3.25Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.49Å; T26-Q29 PolarHBondContact OG1-N 2.6Å; T26-Q29 VanDerWaalsContact OG1-N 3.16Å; T26-Q29 PolarHBondContact OG1-OE1 2.95Å; T26-I30 WeakPolarHBondContact O-CG1 3.42Å; T26-I30 PolarHBondContact O-N 3.32Å
27	K	89.7	Confident	90	Very high	147 Å²	147	78 Å²	78	64%	0.639	38%	0.377	S	S	*	.	H	α-helix	trans	-54.4	-37.3	173	-146.8	176.7	-174.9	-179.3	0	113.5	I30 E31	K27-I30 PolarHBondContact O-N 2.74Å; K27-E31 PolarHBondContact O-N 2.78Å; K27-E31 VanDerWaalsContact O-N 3.08Å
28	R	91.3	Very high	90.2	Very high	218 Å²	218	78.2 Å²	78.2	82%	0.823	39%	0.387	S	S	*	.	H	α-helix	trans	-67.6	-42.1	175.3	-82.2	-174.4	178	166.9	-0.3	112.9	T26 I30 E31 S32	T26-R28 PolarHBondContact O-N 3.37Å; R28-I30 VanDerWaalsContact C-N 3.29Å; R28-I30 PolarHBondContact O-N 2.99Å; R28-E31 PolarHBondContact O-N 2.86Å; R28-S32 WeakPolarHBondContact O-CB 3.39Å; R28-S32 PolarHBondContact O-N 3.17Å
29	Q	91.5	Very high	90.3	Very high	50 Å²	50	77.2 Å²	77.2	23%	0.234	37%	0.374	C	S	.	.	H	α-helix	trans	-63.7	-38.5	175.9	-77.4	166.4	-53.3	0	0	111.2	N18 L25 T26 S32 S33	N18-Q29 PolarHBondContact O-NE2 2.94Å; L25-Q29 HydrophobicContact CB-CB 4.41Å; L25-Q29 HydrophobicContact CD2-CB 4.15Å; T26-Q29 PolarHBondContact O-N 2.9Å; T26-Q29 VanDerWaalsContact O-N 3.07Å; T26-Q29 WeakPolarHBondContact OG1-CB 3.42Å; T26-Q29 VanDerWaalsContact OG1-CG 3.25Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.49Å; T26-Q29 PolarHBondContact OG1-N 2.6Å; T26-Q29 VanDerWaalsContact OG1-N 3.16Å; T26-Q29 PolarHBondContact OG1-OE1 2.95Å; Q29-S32 PolarHBondContact O-N 3.24Å; Q29-S33 VanDerWaalsContact O-CB 3.3Å; Q29-S33 WeakPolarHBondContact O-CB 3.37Å; Q29-S33 PolarHBondContact O-N 2.84Å; Q29-S33 PolarHBondContact O-OG 3.15Å
30	I	91.6	Very high	90.5	Very high	18 Å²	18	77 Å²	77	9%	0.092	37%	0.372	C	S	.	.	H	α-helix	trans	-62.1	-52.7	176.5	-64.1	159.2	0	0	0	110	L25 T26 K27 R28 S32 S33 L34 R132 V147	L25-I30 HydrophobicContact CB-CD1 4.38Å; L25-I30 HydrophobicContact CB-CG1 3.98Å; L25-I30 HydrophobicContact CD1-CG1 4.35Å; T26-I30 WeakPolarHBondContact O-CG1 3.42Å; T26-I30 PolarHBondContact O-N 3.32Å; K27-I30 PolarHBondContact O-N 2.74Å; R28-I30 VanDerWaalsContact C-N 3.29Å; R28-I30 PolarHBondContact O-N 2.99Å; I30-S32 VanDerWaalsContact C-N 3.29Å; I30-S32 PolarHBondContact O-N 2.92Å; I30-S33 PolarHBondContact O-N 2.99Å; I30-L34 HydrophobicContact CG2-CD1 4.06Å; I30-L34 WeakPolarHBondContact O-CB 3.26Å; I30-L34 PolarHBondContact O-N 2.85Å; I30-R132 VanDerWaalsContact CD1-CD 3.47Å; I30-R132 HydrophobicContact CD1-CG 3.99Å; I30-V147 HydrophobicContact CG1-CG2 4.39Å; I30-V147 HydrophobicContact CG2-CG2 4.37Å
31	E	91.9	Very high	90.5	Very high	120 Å²	120	76.9 Å²	76.9	56%	0.561	37%	0.369	S	S	*	.	H	α-helix	trans	-59.2	-38.5	178.6	-73.9	173.2	-173.9	0	0	113	K27 R28 K35	K27-E31 PolarHBondContact O-N 2.78Å; K27-E31 VanDerWaalsContact O-N 3.08Å; R28-E31 PolarHBondContact O-N 2.86Å; E31-K35 PolarHBondContact O-N 3.46Å
32	S	92.6	Very high	90.5	Very high	73 Å²	73	74.9 Å²	74.9	51%	0.51	36%	0.357	S	S	.	.	H	α-helix	trans	-66.3	-46.3	175.3	-168.7	0	0	0	0	111.7	R28 Q29 I30 L34 K35 E36	R28-S32 WeakPolarHBondContact O-CB 3.39Å; R28-S32 PolarHBondContact O-N 3.17Å; Q29-S32 PolarHBondContact O-N 3.24Å; I30-S32 VanDerWaalsContact C-N 3.29Å; I30-S32 PolarHBondContact O-N 2.92Å; S32-L34 VanDerWaalsContact C-N 3.33Å; S32-L34 PolarHBondContact O-N 2.7Å; S32-K35 WeakPolarHBondContact O-CB 3.19Å; S32-K35 PolarHBondContact O-N 2.77Å; S32-E36 PolarHBondContact O-N 2.9Å
33	S	90.9	Very high	90.2	Very high	18 Å²	18	69.5 Å²	69.5	13%	0.126	34%	0.336	C	S	.	.	H	α-helix	trans	-67.3	-35.8	-179.5	-56.4	0	0	0	0	111.3	Q29 I30 K35 E36 Y37	Q29-S33 VanDerWaalsContact O-CB 3.3Å; Q29-S33 WeakPolarHBondContact O-CB 3.37Å; Q29-S33 PolarHBondContact O-N 2.84Å; Q29-S33 PolarHBondContact O-OG 3.15Å; I30-S33 PolarHBondContact O-N 2.99Å; S33-K35 VanDerWaalsContact C-N 3.31Å; S33-K35 PolarHBondContact O-N 3.48Å; S33-E36 PolarHBondContact O-N 2.78Å; S33-Y37 WeakPolarHBondContact O-CB 3.31Å; S33-Y37 VanDerWaalsContact O-CD2 3.29Å; S33-Y37 WeakPolarHBondContact O-CD2 3.16Å; S33-Y37 PolarHBondContact O-N 3.31Å
34	L	91.6	Very high	89.4	Confident	37 Å²	37	71.4 Å²	71.4	19%	0.194	35%	0.349	C	S	.	.	H	α-helix	trans	-66.5	-33.1	175.6	-122.7	137.9	0	0	0	112.3	I30 S32 G38 Y39 V147	I30-L34 HydrophobicContact CG2-CD1 4.06Å; I30-L34 WeakPolarHBondContact O-CB 3.26Å; I30-L34 PolarHBondContact O-N 2.85Å; S32-L34 VanDerWaalsContact C-N 3.33Å; S32-L34 PolarHBondContact O-N 2.7Å; L34-G38 WeakPolarHBondContact O-CA 3.42Å; L34-G38 PolarHBondContact O-N 2.67Å; L34-Y39 HydrophobicContact CD2-CD1 3.65Å; L34-Y39 HydrophobicContact CD2-CD2 3.99Å; L34-Y39 HydrophobicContact CD2-CE1 3.43Å; L34-Y39 VanDerWaalsContact CD2-CE1 3.43Å; L34-Y39 HydrophobicContact CD2-CE2 3.78Å; L34-Y39 HydrophobicContact CD2-CG 3.92Å; L34-Y39 VanDerWaalsContact CD2-CZ 3.48Å; L34-V147 HydrophobicContact CB-CG1 4.15Å; L34-V147 HydrophobicContact CD1-CG1 3.81Å; L34-V147 HydrophobicContact CG-CG1 3.8Å
35	K	90.9	Very high	88.2	Confident	193 Å²	193	74.8 Å²	74.8	84%	0.839	37%	0.365	S	S	*	.	H	α-helix	trans	-71.2	-35.5	171.8	-91.2	-176.9	175.8	178.2	0	113	E31 S32 S33	E31-K35 PolarHBondContact O-N 3.46Å; S32-K35 WeakPolarHBondContact O-CB 3.19Å; S32-K35 PolarHBondContact O-N 2.77Å; S33-K35 VanDerWaalsContact C-N 3.31Å; S33-K35 PolarHBondContact O-N 3.48Å
36	E	91.2	Very high	86.9	Confident	130 Å²	130	83.6 Å²	83.6	61%	0.607	41%	0.406	S	S	*	.	H	α-helix	trans	-80.8	-45.6	-176.7	-171.9	179.9	167	0	0	112.4	S32 S33	S32-E36 PolarHBondContact O-N 2.9Å; S33-E36 PolarHBondContact O-N 2.78Å
37	Y	89.9	Confident	85.5	Confident	63 Å²	63	86.6 Å²	86.6	25%	0.247	42%	0.42	C	S	.	.	H	α-helix	trans	-103.5	-14.8	-172.6	-59	-70.1	0	0	0	114	M1 S33 P148	M1-Y37 HydrophobicContact CE-CD1 3.69Å; M1-Y37 HydrophobicContact CE-CE1 4.44Å; M1-Y37 HydrophobicContact CE-CG 4.31Å; M1-Y37 HydrophobicContact CG-CD1 3.96Å; M1-Y37 HydrophobicContact CG-CE1 3.77Å; S33-Y37 WeakPolarHBondContact O-CB 3.31Å; S33-Y37 VanDerWaalsContact O-CD2 3.29Å; S33-Y37 WeakPolarHBondContact O-CD2 3.16Å; S33-Y37 PolarHBondContact O-N 3.31Å; Y37-P148 HydrophobicContact CD1-CG 4.22Å; Y37-P148 HydrophobicContact CD2-CB 4.38Å; Y37-P148 HydrophobicContact CD2-CG 3.85Å; Y37-P148 HydrophobicContact CE2-CB 4.42Å; Y37-P148 HydrophobicContact CE2-CG 4.31Å; Y37-P148 HydrophobicContact CG-CG 3.82Å
38	G	92.5	Very high	84.5	Confident	29 Å²	29	85.1 Å²	85.1	30%	0.299	41%	0.413	S	S	.	.			trans	78.8	-170.5	-173.7	0	0	0	0	0	113.6	L34	L34-G38 WeakPolarHBondContact O-CA 3.42Å; L34-G38 PolarHBondContact O-N 2.67Å
39	Y	92.6	Very high	84	Confident	109 Å²	109	77.5 Å²	77.5	43%	0.427	39%	0.393	S	S	.	.			trans	-77.8	150.8	175	-70.6	-87.5	0	0	0	111	L34 E41 R144	L34-Y39 HydrophobicContact CD2-CD1 3.65Å; L34-Y39 HydrophobicContact CD2-CD2 3.99Å; L34-Y39 HydrophobicContact CD2-CE1 3.43Å; L34-Y39 VanDerWaalsContact CD2-CE1 3.43Å; L34-Y39 HydrophobicContact CD2-CE2 3.78Å; L34-Y39 HydrophobicContact CD2-CG 3.92Å; L34-Y39 VanDerWaalsContact CD2-CZ 3.48Å; Y39-E41 PolarHBondContact O-N 3.37Å; Y39-R144 HydrophobicContact CD1-CG 4.21Å; Y39-R144 WeakPolarHBondContact CD1-O 3.33Å
40	N	93.6	Very high	83.5	Confident	12 Å²	12	79.4 Å²	79.4	6%	0.064	40%	0.404	C	S	.	.	S	Bend	trans	-80.2	67.2	172.7	-179.3	47.2	0	0	0	111	A143 R144 L146 P161 T227 G228	N40-A143 WeakPolarHBondContact CB-O 3.49Å; N40-A143 PolarHBondContact ND2-O 2.99Å; N40-A143 VanDerWaalsContact ND2-O 3.11Å; N40-R144 PolarHBondContact N-O 3.46Å; N40-R144 WeakPolarHBondContact O-CA 3.46Å; N40-L146 HydrophobicContact CB-CB 4.14Å; N40-L146 WeakPolarHBondContact CB-O 3.3Å; N40-P161 PolarHBondContact ND2-O 3.07Å; N40-T227 HydrophobicContact CB-CG2 4.04Å; N40-T227 VanDerWaalsContact OD1-CA 3.3Å; N40-T227 WeakPolarHBondContact OD1-CA 3.29Å; N40-T227 WeakPolarHBondContact OD1-CB 3.47Å; N40-G228 PolarHBondContact OD1-N 3.48Å
41	E	88.6	Confident	83.2	Confident	78 Å²	78	86.5 Å²	86.5	36%	0.364	43%	0.429	S	S	.	.	S	Bend	trans	-142.6	149.7	175	64.5	-173.4	-169	0	0	110	Y39 P43 R144	Y39-E41 PolarHBondContact O-N 3.37Å; E41-P43 WeakPolarHBondContact O-CD 3.19Å; E41-R144 HydrophobicContact CB-CB 4.42Å
42	L	83.5	Confident	82.9	Confident	8 Å²	8	86.6 Å²	86.6	4%	0.042	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-76.7	120.4	170.8	-67.8	177.3	0	0	0	108.8	K121 E124 L229 R237	L42-K121 WeakPolarHBondContact O-CE 3.39Å; L42-E124 VanDerWaalsContact CB-OE1 3.29Å; L42-E124 WeakPolarHBondContact CB-OE1 3.44Å; L42-E124 WeakPolarHBondContact CG-OE1 3.33Å; L42-E124 PolarHBondContact N-OE1 3.43Å; L42-L229 HydrophobicContact CD2-CD2 4.01Å; L42-R237 VanDerWaalsContact CA-NH1 3.32Å; L42-R237 VanDerWaalsContact CB-NH1 3.28Å
43	P	78.5	Confident	82.3	Confident	51 Å²	51	83.7 Å²	83.7	33%	0.331	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-47.6	145.3	175.4	6.1	-19.9	0	0	0	114	E41 L229 R237	E41-P43 WeakPolarHBondContact O-CD 3.19Å; P43-L229 HydrophobicContact CG-CD1 4.17Å; P43-L229 HydrophobicContact CG-CD2 4.31Å; P43-L229 HydrophobicContact CG-CG 4.36Å; P43-R237 PolarHBondContact O-NH1 2.92Å; P43-R237 PolarHBondContact O-NH2 3.05Å
44	P	68.9	Low	82	Confident	97 Å²	97	85.8 Å²	85.8	63%	0.63	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-67.2	156.5	169.6	28.6	-32.5	0	0	0	111.7
45	E	65.6	Low	81.8	Confident	73 Å²	73	88.9 Å²	88.9	34%	0.341	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-81.2	141.9	172.6	-160.6	174.5	-179.6	0	0	109.9	N47 I117 M241	E45-N47 PolarHBondContact O-N 2.95Å; E45-I117 VanDerWaalsContact OE2-CD1 3.26Å; E45-I117 WeakPolarHBondContact OE2-CD1 3.41Å; E45-M241 HydrophobicContact CG-CE 4.1Å; E45-M241 HydrophobicContact CG-SD 4.16Å; E45-M241 VanDerWaalsContact OE1-CE 3.22Å; E45-M241 WeakPolarHBondContact OE1-CE 3.34Å
46	E	65.5	Low	81.5	Confident	188 Å²	188	81.7 Å²	81.7	88%	0.879	42%	0.416	S	S	*	.			trans	-80.5	91.9	174.3	-72.4	-171.9	174.3	0	0	109.7	K48	E46-K48 PolarHBondContact O-N 3.04Å
47	N	62.4	Low	81.1	Confident	107 Å²	107	78.1 Å²	78.1	57%	0.572	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-56.9	130	177	-65.9	-16.2	0	0	0	110.7	E45 P49	E45-N47 PolarHBondContact O-N 2.95Å; N47-P49 WeakPolarHBondContact O-CD 3.22Å
48	K	69.4	Low	80.9	Confident	115 Å²	115	77.9 Å²	77.9	50%	0.5	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-62.9	124.2	174	-71.1	177.3	-173.7	167.6	0	108.6	E46 L53	E46-K48 PolarHBondContact O-N 3.04Å; K48-L53 HydrophobicContact CB-CG 4.39Å; K48-L53 HydrophobicContact CD-CD2 4.39Å
49	P	81.4	Confident	80.3	Confident	59 Å²	59	81.9 Å²	81.9	38%	0.383	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-67.7	144.2	179.7	28.5	-35	0	0	0	110.3	N47 W51 K52 L53	N47-P49 WeakPolarHBondContact O-CD 3.22Å; P49-W51 HydrophobicContact CG-CZ2 4.21Å; P49-W51 VanDerWaalsContact CG-NE1 3.27Å; P49-W51 PolarHBondContact O-N 3.2Å; P49-K52 HydrophobicContact CG-CB 4.14Å; P49-K52 WeakPolarHBondContact O-CB 3.43Å; P49-K52 PolarHBondContact O-N 3.19Å; P49-L53 PolarHBondContact O-N 2.92Å
50	L	80.9	Confident	79.5	Confident	90 Å²	90	79.7 Å²	79.7	47%	0.471	41%	0.41	S	S	.	.	H	α-helix	trans	-50.4	-37.5	-173.5	-72.4	168.7	0	0	0	114.1	K52 L53 V54 V107	L50-K52 VanDerWaalsContact C-N 3.25Å; L50-K52 PolarHBondContact O-N 3.16Å; L50-L53 HydrophobicContact CD2-CD1 4.42Å; L50-L53 WeakPolarHBondContact O-CB 3.48Å; L50-L53 PolarHBondContact O-N 3.18Å; L50-V54 WeakPolarHBondContact O-CG2 3.36Å; L50-V54 PolarHBondContact O-N 3.33Å; L50-V107 HydrophobicContact CD2-CG1 4.41Å
51	W	84.6	Confident	78.8	Confident	166 Å²	166	83.2 Å²	83.2	63%	0.629	43%	0.428	S	S	*	.	H	α-helix	trans	-63.6	-31.5	179.2	68.7	-95.2	0	0	0	112.8	P49 L55	P49-W51 HydrophobicContact CG-CZ2 4.21Å; P49-W51 VanDerWaalsContact CG-NE1 3.27Å; P49-W51 PolarHBondContact O-N 3.2Å; W51-L55 HydrophobicContact CE3-CD1 3.47Å; W51-L55 VanDerWaalsContact CE3-CD1 3.47Å; W51-L55 HydrophobicContact CE3-CG 4.49Å; W51-L55 HydrophobicContact CZ3-CD1 3.47Å; W51-L55 VanDerWaalsContact CZ3-CD1 3.47Å; W51-L55 WeakPolarHBondContact O-CG 3.45Å; W51-L55 PolarHBondContact O-N 3.4Å
52	K	85.6	Confident	78.2	Confident	123 Å²	123	80.9 Å²	80.9	54%	0.535	42%	0.418	S	S	.	.	H	α-helix	trans	-75.7	-34.5	177.9	-164.9	174.2	-177.4	179.8	0	111.2	P49 L50 L55 G56	P49-K52 HydrophobicContact CG-CB 4.14Å; P49-K52 WeakPolarHBondContact O-CB 3.43Å; P49-K52 PolarHBondContact O-N 3.19Å; L50-K52 VanDerWaalsContact C-N 3.25Å; L50-K52 PolarHBondContact O-N 3.16Å; K52-L55 PolarHBondContact O-N 3.37Å; K52-G56 PolarHBondContact O-N 2.87Å
53	L	80.4	Confident	78	Confident	11 Å²	11	82 Å²	82	6%	0.058	43%	0.425	C	S	.	.	H	α-helix	trans	-63.7	-44.3	170.5	-70.8	168.1	0	0	0	111.1	K48 P49 L50 L55 G56 Q57 V107 E110	K48-L53 HydrophobicContact CB-CG 4.39Å; K48-L53 HydrophobicContact CD-CD2 4.39Å; P49-L53 PolarHBondContact O-N 2.92Å; L50-L53 HydrophobicContact CD2-CD1 4.42Å; L50-L53 WeakPolarHBondContact O-CB 3.48Å; L50-L53 PolarHBondContact O-N 3.18Å; L53-L55 PolarHBondContact O-N 3.24Å; L53-G56 PolarHBondContact O-N 2.69Å; L53-Q57 PolarHBondContact O-N 3.01Å; L53-V107 HydrophobicContact CB-CG1 4.36Å; L53-V107 HydrophobicContact CB-CG2 4.26Å; L53-E110 HydrophobicContact CD2-CB 4.43Å; L53-E110 HydrophobicContact CD2-CG 3.96Å
54	V	85.7	Confident	78.3	Confident	62 Å²	62	83.9 Å²	83.9	38%	0.376	43%	0.428	S	S	.	.	H	α-helix	trans	-59.7	-47.2	175.7	174.6	0	0	0	0	111	L50 G56 Q57 F58 V107	L50-V54 WeakPolarHBondContact O-CG2 3.36Å; L50-V54 PolarHBondContact O-N 3.33Å; V54-G56 VanDerWaalsContact C-N 3.25Å; V54-G56 PolarHBondContact O-N 3.2Å; V54-Q57 WeakPolarHBondContact O-CB 2.77Å; V54-Q57 PolarHBondContact O-N 3.4Å; V54-Q57 VanDerWaalsContact O-N 3.15Å; V54-F58 HydrophobicContact CG1-CE2 4.18Å; V54-F58 WeakPolarHBondContact O-CD2 3.02Å; V54-V107 HydrophobicContact CB-CG2 4.44Å; V54-V107 HydrophobicContact CG2-CG2 3.86Å
55	L	87.1	Confident	78.8	Confident	102 Å²	102	80.9 Å²	80.9	53%	0.534	41%	0.407	S	S	.	.	H	α-helix	trans	-60.9	-34.6	177	-77.4	170.7	0	0	0	112.8	W51 K52 L53 Q57 F58	W51-L55 HydrophobicContact CE3-CD1 3.47Å; W51-L55 VanDerWaalsContact CE3-CD1 3.47Å; W51-L55 HydrophobicContact CE3-CG 4.49Å; W51-L55 HydrophobicContact CZ3-CD1 3.47Å; W51-L55 VanDerWaalsContact CZ3-CD1 3.47Å; W51-L55 WeakPolarHBondContact O-CG 3.45Å; W51-L55 PolarHBondContact O-N 3.4Å; K52-L55 PolarHBondContact O-N 3.37Å; L53-L55 PolarHBondContact O-N 3.24Å; L55-Q57 PolarHBondContact O-N 3.43Å; L55-F58 PolarHBondContact O-N 3.12Å; L55-F58 VanDerWaalsContact O-N 3.1Å
56	G	83.2	Confident	79.4	Confident	43 Å²	43	77.9 Å²	77.9	44%	0.443	39%	0.393	S	S	.	.	H	α-helix	trans	-59.2	-34.7	175.9	0	0	0	0	0	113.2	K52 L53 V54 F58 D59	K52-G56 PolarHBondContact O-N 2.87Å; L53-G56 PolarHBondContact O-N 2.69Å; V54-G56 VanDerWaalsContact C-N 3.25Å; V54-G56 PolarHBondContact O-N 3.2Å; G56-F58 PolarHBondContact O-N 2.61Å; G56-D59 WeakPolarHBondContact O-CB 3.17Å; G56-D59 PolarHBondContact O-N 2.97Å; G56-D59 VanDerWaalsContact O-N 3.14Å
57	Q	82.4	Confident	80.3	Confident	55 Å²	55	71.9 Å²	71.9	26%	0.257	37%	0.366	S	S	.	.	H	α-helix	trans	-67.1	-22.3	177.6	-59.1	-59	-43	0	0	113.1	L53 V54 L55 A103 V107	L53-Q57 PolarHBondContact O-N 3.01Å; V54-Q57 WeakPolarHBondContact O-CB 2.77Å; V54-Q57 PolarHBondContact O-N 3.4Å; V54-Q57 VanDerWaalsContact O-N 3.15Å; L55-Q57 PolarHBondContact O-N 3.43Å; Q57-A103 HydrophobicContact CB-CB 4.13Å; Q57-V107 HydrophobicContact CG-CG2 3.94Å
58	F	86	Confident	81.3	Confident	57 Å²	57	71.7 Å²	71.7	25%	0.25	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	2.5	176.6	-68.5	-83.3	0	0	0	113.4	V54 L55 G56 V63 K64 L67 L99 A103	V54-F58 HydrophobicContact CG1-CE2 4.18Å; V54-F58 WeakPolarHBondContact O-CD2 3.02Å; L55-F58 PolarHBondContact O-N 3.12Å; L55-F58 VanDerWaalsContact O-N 3.1Å; G56-F58 PolarHBondContact O-N 2.61Å; F58-V63 HydrophobicContact CD1-CG1 3.75Å; F58-V63 HydrophobicContact CE1-CG1 4.38Å; F58-V63 HydrophobicContact CG-CG1 4.45Å; F58-K64 WeakPolarHBondContact O-CE 3.38Å; F58-K64 WeakPolarHBondContact O-CG 3.26Å; F58-L67 HydrophobicContact CD1-CD2 4.48Å; F58-L99 HydrophobicContact CE1-CB 4.33Å; F58-A103 HydrophobicContact CE2-CB 4.05Å; F58-A103 HydrophobicContact CZ-CB 4.19Å
59	D	81.4	Confident	81.8	Confident	113 Å²	113	66.5 Å²	66.5	60%	0.604	34%	0.343	S	S	*	.			trans	-84.6	-15.9	-177.8	-145.6	15.4	0	0	0	112.9	G56 K64	G56-D59 WeakPolarHBondContact O-CB 3.17Å; G56-D59 PolarHBondContact O-N 2.97Å; G56-D59 VanDerWaalsContact O-N 3.14Å; D59-K64 WeakPolarHBondContact O-CE 3.09Å; D59-K64 PolarHBondContact O-NZ 3.34Å; D59-K64 IonicContact OD1-NZ 3.82Å; D59-K64 PolarHBondContact OD1-NZ 3.07Å
60	D	75.8	Confident	81.9	Confident	64 Å²	64	64 Å²	64	34%	0.342	33%	0.328	S	S	.	.	S	Bend	trans	-64.5	140.8	175.8	-172.6	-83.9	0	0	0	112.4	L62 V63 K64	D60-L62 PolarHBondContact O-N 3.43Å; D60-L62 VanDerWaalsContact OD1-CB 3.3Å; D60-L62 WeakPolarHBondContact OD1-CB 3.43Å; D60-L62 PolarHBondContact OD1-N 3.31Å; D60-V63 HydrophobicContact CB-CB 4.27Å; D60-V63 HydrophobicContact CB-CG2 4.07Å; D60-V63 PolarHBondContact O-N 3.13Å; D60-K64 WeakPolarHBondContact O-CG 3.48Å; D60-K64 PolarHBondContact O-N 2.59Å
61	L	78.2	Confident	82.1	Confident	86 Å²	86	64.3 Å²	64.3	45%	0.45	33%	0.329	S	S	.	.	H	α-helix	trans	-64.9	-38.4	-176.1	-173.2	67.4	0	0	0	112.7	K64 I65 S262	L61-K64 PolarHBondContact O-N 2.91Å; L61-I65 WeakPolarHBondContact O-CG1 3.49Å; L61-I65 PolarHBondContact O-N 3.08Å; L61-I65 VanDerWaalsContact O-N 3.08Å; L61-S262 VanDerWaalsContact CD2-OG 3.25Å; L61-S262 WeakPolarHBondContact CD2-OG 2.98Å
62	L	74.9	Confident	81.9	Confident	28 Å²	28	57.9 Å²	57.9	15%	0.147	31%	0.306	C	S	.	.	H	α-helix	trans	-66.7	-43.8	177.8	-66.8	176.2	0	0	0	110.6	D60 K64 I65 L66 I308	D60-L62 PolarHBondContact O-N 3.43Å; D60-L62 VanDerWaalsContact OD1-CB 3.3Å; D60-L62 WeakPolarHBondContact OD1-CB 3.43Å; D60-L62 PolarHBondContact OD1-N 3.31Å; L62-K64 VanDerWaalsContact C-N 3.29Å; L62-K64 PolarHBondContact O-N 3.33Å; L62-I65 WeakPolarHBondContact O-CB 3.48Å; L62-I65 PolarHBondContact O-N 3.5Å; L62-I65 VanDerWaalsContact O-N 3.14Å; L62-L66 PolarHBondContact O-N 3.13Å; L62-I308 HydrophobicContact CD2-CG1 4.45Å
63	V	80.2	Confident	81.6	Confident	33 Å²	33	52.2 Å²	52.2	20%	0.2	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-39	177.4	175.7	0	0	0	0	110.8	F58 D60 I65 L66 L67 L99	F58-V63 HydrophobicContact CD1-CG1 3.75Å; F58-V63 HydrophobicContact CE1-CG1 4.38Å; F58-V63 HydrophobicContact CG-CG1 4.45Å; D60-V63 HydrophobicContact CB-CB 4.27Å; D60-V63 HydrophobicContact CB-CG2 4.07Å; D60-V63 PolarHBondContact O-N 3.13Å; V63-I65 PolarHBondContact O-N 3.02Å; V63-L66 PolarHBondContact O-N 2.99Å; V63-L67 VanDerWaalsContact O-CB 3.3Å; V63-L67 WeakPolarHBondContact O-CB 3.3Å; V63-L67 PolarHBondContact O-N 3.32Å; V63-L99 HydrophobicContact CG1-CD2 3.89Å
64	K	84.3	Confident	81.8	Confident	89 Å²	89	56.3 Å²	56.3	39%	0.387	30%	0.3	S	S	.	.	H	α-helix	trans	-62.2	-40.1	173.7	-76	168.5	176.4	158.8	0	112.8	F58 D59 D60 L61 L62 L67 L68	F58-K64 WeakPolarHBondContact O-CE 3.38Å; F58-K64 WeakPolarHBondContact O-CG 3.26Å; D59-K64 WeakPolarHBondContact O-CE 3.09Å; D59-K64 PolarHBondContact O-NZ 3.34Å; D59-K64 IonicContact OD1-NZ 3.82Å; D59-K64 PolarHBondContact OD1-NZ 3.07Å; D60-K64 WeakPolarHBondContact O-CG 3.48Å; D60-K64 PolarHBondContact O-N 2.59Å; L61-K64 PolarHBondContact O-N 2.91Å; L62-K64 VanDerWaalsContact C-N 3.29Å; L62-K64 PolarHBondContact O-N 3.33Å; K64-L67 PolarHBondContact O-N 3.33Å; K64-L68 VanDerWaalsContact O-CB 3.31Å; K64-L68 WeakPolarHBondContact O-CB 3.42Å; K64-L68 PolarHBondContact O-N 2.89Å
65	I	79	Confident	81.7	Confident	35 Å²	35	56.6 Å²	56.6	18%	0.179	30%	0.301	C	S	.	.	H	α-helix	trans	-64.7	-43.9	175.7	-70.6	169.9	0	0	0	110.5	L61 L62 V63 L68 A69 S262 A304 I308	L61-I65 WeakPolarHBondContact O-CG1 3.49Å; L61-I65 PolarHBondContact O-N 3.08Å; L61-I65 VanDerWaalsContact O-N 3.08Å; L62-I65 WeakPolarHBondContact O-CB 3.48Å; L62-I65 PolarHBondContact O-N 3.5Å; L62-I65 VanDerWaalsContact O-N 3.14Å; V63-I65 PolarHBondContact O-N 3.02Å; I65-L68 WeakPolarHBondContact O-CB 3.39Å; I65-L68 PolarHBondContact O-N 2.65Å; I65-A69 WeakPolarHBondContact O-CB 3.26Å; I65-A69 PolarHBondContact O-N 3.27Å; I65-S262 WeakPolarHBondContact CD1-OG 3.28Å; I65-A304 HydrophobicContact CG2-CB 4.34Å; I65-I308 HydrophobicContact CG2-CD1 4.24Å
66	L	79.2	Confident	81.2	Confident	10 Å²	10	53.7 Å²	53.7	5%	0.052	29%	0.286	C	S	.	.	H	α-helix	trans	-66.4	-39.2	177.9	-119	148.2	0	0	0	112.3	L62 V63 A69 A70 I95 L99 I308 E310	L62-L66 PolarHBondContact O-N 3.13Å; V63-L66 PolarHBondContact O-N 2.99Å; L66-A69 WeakPolarHBondContact O-CB 3.46Å; L66-A69 PolarHBondContact O-N 2.77Å; L66-A70 WeakPolarHBondContact O-CB 3.33Å; L66-A70 PolarHBondContact O-N 3.39Å; L66-I95 HydrophobicContact CD2-CG2 3.42Å; L66-I95 VanDerWaalsContact CD2-CG2 3.42Å; L66-L99 HydrophobicContact CB-CD2 4.14Å; L66-I308 HydrophobicContact CD1-CB 4.22Å; L66-I308 HydrophobicContact CD1-CD1 3.7Å; L66-I308 HydrophobicContact CD1-CG2 3.76Å; L66-I308 HydrophobicContact CG-CD1 4.04Å; L66-E310 HydrophobicContact CD1-CG 4.08Å
67	L	85.3	Confident	81	Confident	62 Å²	62	52 Å²	52	33%	0.325	27%	0.269	S	S	.	.	H	α-helix	trans	-64.9	-41.1	174	-176.6	66.4	0	0	0	111.2	F58 V63 K64 A70 I71 L99	F58-L67 HydrophobicContact CD1-CD2 4.48Å; V63-L67 VanDerWaalsContact O-CB 3.3Å; V63-L67 WeakPolarHBondContact O-CB 3.3Å; V63-L67 PolarHBondContact O-N 3.32Å; K64-L67 PolarHBondContact O-N 3.33Å; L67-A70 WeakPolarHBondContact O-CB 3.32Å; L67-A70 PolarHBondContact O-N 2.91Å; L67-I71 HydrophobicContact CG-CD1 4.21Å; L67-I71 VanDerWaalsContact O-CG1 3.29Å; L67-I71 WeakPolarHBondContact O-CG1 3.44Å; L67-I71 PolarHBondContact O-N 3.01Å; L67-L99 HydrophobicContact CB-CD1 4.07Å; L67-L99 HydrophobicContact CD1-CD1 3.97Å
68	L	83.1	Confident	81	Confident	103 Å²	103	57.8 Å²	57.8	54%	0.539	29%	0.288	S	S	.	.	H	α-helix	trans	-61.4	-46	173.6	178.2	63.5	0	0	0	110.8	K64 I65 A70 I71 I72	K64-L68 VanDerWaalsContact O-CB 3.31Å; K64-L68 WeakPolarHBondContact O-CB 3.42Å; K64-L68 PolarHBondContact O-N 2.89Å; I65-L68 WeakPolarHBondContact O-CB 3.39Å; I65-L68 PolarHBondContact O-N 2.65Å; L68-A70 VanDerWaalsContact C-N 3.33Å; L68-A70 PolarHBondContact O-N 3.36Å; L68-I71 PolarHBondContact O-N 2.76Å; L68-I72 HydrophobicContact CD1-CD1 3.88Å; L68-I72 HydrophobicContact CD1-CG1 4.32Å; L68-I72 HydrophobicContact CD2-CD1 4.48Å; L68-I72 HydrophobicContact CG-CD1 3.71Å; L68-I72 WeakPolarHBondContact O-CB 3.42Å; L68-I72 WeakPolarHBondContact O-CD1 3.27Å; L68-I72 VanDerWaalsContact O-CG1 3.23Å; L68-I72 WeakPolarHBondContact O-CG1 3.22Å; L68-I72 PolarHBondContact O-N 3.46Å
69	A	79.3	Confident	80.5	Confident	5 Å²	5	62.7 Å²	62.7	4%	0.041	31%	0.31	C	S	.	.	H	α-helix	trans	-58	-43.1	173.8	0	0	0	0	0	111.9	I65 L66 I72 S73 V301	I65-A69 WeakPolarHBondContact O-CB 3.26Å; I65-A69 PolarHBondContact O-N 3.27Å; L66-A69 WeakPolarHBondContact O-CB 3.46Å; L66-A69 PolarHBondContact O-N 2.77Å; A69-I72 PolarHBondContact O-N 3.26Å; A69-S73 WeakPolarHBondContact O-CB 3.48Å; A69-S73 PolarHBondContact O-N 3.08Å; A69-V301 HydrophobicContact CB-CG1 3.95Å
70	A	83.8	Confident	80	Confident	7 Å²	7	62.8 Å²	62.8	6%	0.058	31%	0.306	C	S	.	.	H	α-helix	trans	-61.3	-46	176.7	0	0	0	0	0	112.2	L66 L67 L68 S73 F74 I95	L66-A70 WeakPolarHBondContact O-CB 3.33Å; L66-A70 PolarHBondContact O-N 3.39Å; L67-A70 WeakPolarHBondContact O-CB 3.32Å; L67-A70 PolarHBondContact O-N 2.91Å; L68-A70 VanDerWaalsContact C-N 3.33Å; L68-A70 PolarHBondContact O-N 3.36Å; A70-S73 PolarHBondContact O-N 2.95Å; A70-F74 WeakPolarHBondContact O-CB 3.29Å; A70-F74 PolarHBondContact O-N 3.29Å; A70-I95 HydrophobicContact CB-CB 4.21Å; A70-I95 HydrophobicContact CB-CG2 3.55Å
71	I	85.6	Confident	79.1	Confident	97 Å²	97	66.5 Å²	66.5	50%	0.497	33%	0.326	S	S	.	.	H	α-helix	trans	-63.2	-45.6	178.3	-68.1	165.1	0	0	0	110.1	L67 L68 F74 V75	L67-I71 HydrophobicContact CG-CD1 4.21Å; L67-I71 VanDerWaalsContact O-CG1 3.29Å; L67-I71 WeakPolarHBondContact O-CG1 3.44Å; L67-I71 PolarHBondContact O-N 3.01Å; L68-I71 PolarHBondContact O-N 2.76Å; I71-F74 PolarHBondContact O-N 2.84Å; I71-V75 WeakPolarHBondContact O-CG2 3.19Å; I71-V75 PolarHBondContact O-N 2.91Å
72	I	79.5	Confident	77.6	Confident	30 Å²	30	67.3 Å²	67.3	15%	0.154	34%	0.339	C	S	.	.	H	α-helix	trans	-63.2	-48.5	178.8	-68.9	160	0	0	0	110.5	L68 A69 F74 V75 L76 F297 V301	L68-I72 HydrophobicContact CD1-CD1 3.88Å; L68-I72 HydrophobicContact CD1-CG1 4.32Å; L68-I72 HydrophobicContact CD2-CD1 4.48Å; L68-I72 HydrophobicContact CG-CD1 3.71Å; L68-I72 WeakPolarHBondContact O-CB 3.42Å; L68-I72 WeakPolarHBondContact O-CD1 3.27Å; L68-I72 VanDerWaalsContact O-CG1 3.23Å; L68-I72 WeakPolarHBondContact O-CG1 3.22Å; L68-I72 PolarHBondContact O-N 3.46Å; A69-I72 PolarHBondContact O-N 3.26Å; I72-F74 VanDerWaalsContact C-N 3.26Å; I72-F74 PolarHBondContact O-N 3.05Å; I72-V75 PolarHBondContact O-N 3.27Å; I72-V75 VanDerWaalsContact O-N 3.1Å; I72-L76 HydrophobicContact CG2-CD1 3.87Å; I72-L76 HydrophobicContact CG2-CG 4.31Å; I72-L76 WeakPolarHBondContact O-CG 3.49Å; I72-L76 PolarHBondContact O-N 2.9Å; I72-F297 HydrophobicContact CB-CE1 4.47Å; I72-F297 HydrophobicContact CD1-CE1 3.55Å; I72-F297 HydrophobicContact CD1-CZ 3.93Å; I72-F297 HydrophobicContact CG1-CE1 4.01Å; I72-F297 HydrophobicContact CG2-CD1 3.84Å; I72-F297 HydrophobicContact CG2-CE1 3.64Å; I72-V301 HydrophobicContact CB-CG2 4.38Å; I72-V301 HydrophobicContact CG2-CG2 3.85Å
73	S	79.4	Confident	76.7	Confident	5 Å²	5	74.9 Å²	74.9	4%	0.035	37%	0.374	C	S	.	.	H	α-helix	trans	-58.7	-40.3	178.7	-172.9	0	0	0	0	111	A69 A70 L76 A77 E91	A69-S73 WeakPolarHBondContact O-CB 3.48Å; A69-S73 PolarHBondContact O-N 3.08Å; A70-S73 PolarHBondContact O-N 2.95Å; S73-L76 PolarHBondContact O-N 2.88Å; S73-A77 WeakPolarHBondContact O-CB 3.38Å; S73-A77 PolarHBondContact O-N 3.35Å; S73-E91 WeakPolarHBondContact CB-OE1 3.19Å; S73-E91 WeakPolarHBondContact OG-CG 3.43Å; S73-E91 PolarHBondContact OG-OE1 2.89Å
74	F	85	Confident	75.6	Confident	96 Å²	96	78.6 Å²	78.6	42%	0.421	39%	0.392	S	S	.	.	H	α-helix	trans	-63.4	-42.8	174.3	-172.4	-92.8	0	0	0	112.8	A70 I71 I72 W78 F89 P92	A70-F74 WeakPolarHBondContact O-CB 3.29Å; A70-F74 PolarHBondContact O-N 3.29Å; I71-F74 PolarHBondContact O-N 2.84Å; I72-F74 VanDerWaalsContact C-N 3.26Å; I72-F74 PolarHBondContact O-N 3.05Å; F74-W78 HydrophobicContact CE1-CE3 4.26Å; F74-W78 HydrophobicContact CZ-CE3 4.24Å; F74-W78 WeakPolarHBondContact O-CB 3.36Å; F74-W78 PolarHBondContact O-N 2.93Å; F74-F89 HydrophobicContact CD2-CD1 4.23Å; F74-F89 HydrophobicContact CD2-CE1 4.29Å; F74-F89 HydrophobicContact CE2-CD1 4.04Å; F74-F89 AromaticContact CE2-CE1 3.92Å; F74-F89 HydrophobicContact CE2-CE1 3.92Å; F74-F89 HydrophobicContact CZ-CE1 4.31Å; F74-P92 HydrophobicContact CB-CB 3.87Å; F74-P92 HydrophobicContact CB-CG 4.37Å; F74-P92 HydrophobicContact CD2-CB 4.24Å; F74-P92 HydrophobicContact CD2-CG 4.28Å
75	V	83.3	Confident	74.4	Confident	68 Å²	68	77 Å²	77	41%	0.412	40%	0.396	S	S	.	.	H	α-helix	trans	-64.1	-43.7	176.4	171.5	0	0	0	0	110.7	I71 I72 W78 F79	I71-V75 WeakPolarHBondContact O-CG2 3.19Å; I71-V75 PolarHBondContact O-N 2.91Å; I72-V75 PolarHBondContact O-N 3.27Å; I72-V75 VanDerWaalsContact O-N 3.1Å; V75-W78 WeakPolarHBondContact O-CB 3.24Å; V75-W78 PolarHBondContact O-N 3.48Å; V75-F79 HydrophobicContact CG1-CD2 3.76Å; V75-F79 HydrophobicContact CG1-CE2 3.71Å; V75-F79 WeakPolarHBondContact O-CD2 3.23Å; V75-F79 PolarHBondContact O-N 2.87Å
76	L	76.7	Confident	73.8	Confident	41 Å²	41	81.4 Å²	81.4	22%	0.215	42%	0.424	C	S	.	.	H	α-helix	trans	-62.5	-47.6	178	-70.9	172	0	0	0	111.7	I72 S73 W78 F79 E80 V294 K298	I72-L76 HydrophobicContact CG2-CD1 3.87Å; I72-L76 HydrophobicContact CG2-CG 4.31Å; I72-L76 WeakPolarHBondContact O-CG 3.49Å; I72-L76 PolarHBondContact O-N 2.9Å; S73-L76 PolarHBondContact O-N 2.88Å; L76-W78 PolarHBondContact O-N 3.42Å; L76-F79 PolarHBondContact O-N 3.32Å; L76-E80 PolarHBondContact O-N 2.7Å; L76-V294 HydrophobicContact CD2-CG1 3.44Å; L76-V294 VanDerWaalsContact CD2-CG1 3.44Å; L76-K298 HydrophobicContact CD1-CB 4.37Å
77	A	78.8	Confident	73.3	Confident	9 Å²	9	83.4 Å²	83.4	7%	0.074	44%	0.437	C	S	.	.	H	α-helix	trans	-59.8	-31.8	176.2	0	0	0	0	0	112.4	S73 A88 F89 P92	S73-A77 WeakPolarHBondContact O-CB 3.38Å; S73-A77 PolarHBondContact O-N 3.35Å; A77-A88 HydrophobicContact CB-CB 4.24Å; A77-A88 WeakPolarHBondContact CB-O 3.22Å; A77-F89 HydrophobicContact CB-CD1 4Å; A77-F89 HydrophobicContact CB-CE1 4.05Å; A77-P92 HydrophobicContact CB-CG 4.47Å
78	W	81.6	Confident	72.7	Confident	175 Å²	175	81.4 Å²	81.4	66%	0.663	43%	0.43	S	S	*	.	H	α-helix	trans	-71	-29.1	176	-168.6	-82.1	0	0	0	113.5	F74 V75 L76 F89	F74-W78 HydrophobicContact CE1-CE3 4.26Å; F74-W78 HydrophobicContact CZ-CE3 4.24Å; F74-W78 WeakPolarHBondContact O-CB 3.36Å; F74-W78 PolarHBondContact O-N 2.93Å; V75-W78 WeakPolarHBondContact O-CB 3.24Å; V75-W78 PolarHBondContact O-N 3.48Å; L76-W78 PolarHBondContact O-N 3.42Å; W78-F89 HydrophobicContact CE3-CE1 4.26Å; W78-F89 HydrophobicContact CE3-CZ 4.02Å
79	F	76.8	Confident	72.7	Confident	161 Å²	161	79.5 Å²	79.5	71%	0.706	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	2.3	-178.4	-76	-67.7	0	0	0	114	V75 L76	V75-F79 HydrophobicContact CG1-CD2 3.76Å; V75-F79 HydrophobicContact CG1-CE2 3.71Å; V75-F79 WeakPolarHBondContact O-CD2 3.23Å; V75-F79 PolarHBondContact O-N 2.87Å; L76-F79 PolarHBondContact O-N 3.32Å
80	E	69.5	Low	72.8	Confident	115 Å²	115	81 Å²	81	54%	0.537	43%	0.426	S	S	.	.	S	Bend	trans	-86.6	122.2	-178.9	-152.7	158.1	-154.7	0	0	110.8	L76 S82	L76-E80 PolarHBondContact O-N 2.7Å; E80-S82 PolarHBondContact O-N 3.29Å; E80-S82 VanDerWaalsContact O-N 3.1Å
81	D	56.8	Low	72.4	Confident	142 Å²	142	82 Å²	82	76%	0.759	43%	0.43	S	S	*	.			trans	-75.9	96.9	-170.3	-77.9	-40.5	0	0	0	113.4	E83	D81-E83 PolarHBondContact O-N 2.72Å; D81-E83 VanDerWaalsContact O-N 3.16Å
82	S	48.3	Very low	72.3	Confident	103 Å²	103	77.7 Å²	77.7	72%	0.72	41%	0.408	S	S	*	.	S	Bend	trans	64.6	0.3	135.6	72.1	0	0	0	0	125.4	E80	E80-S82 PolarHBondContact O-N 3.29Å; E80-S82 VanDerWaalsContact O-N 3.1Å
83	E	55.8	Low	72.7	Confident	187 Å²	187	80.4 Å²	80.4	87%	0.874	43%	0.425	S	S	*	.	S	Bend	trans	-101.1	-26.2	170.1	-75.3	-171	168.6	0	0	115	D81	D81-E83 PolarHBondContact O-N 2.72Å; D81-E83 VanDerWaalsContact O-N 3.16Å
84	D	56.5	Low	73	Confident	110 Å²	110	82.3 Å²	82.3	59%	0.588	44%	0.437	S	S	*	.	S	Bend	trans	-125	35.6	-176.5	-85.1	-33.8	0	0	0	113.1	T86 T87 A88	D84-T86 PolarHBondContact O-N 2.85Å; D84-T87 PolarHBondContact O-N 2.77Å; D84-T87 VanDerWaalsContact O-N 3.13Å; D84-T87 PolarHBondContact O-OG1 3.16Å; D84-T87 VanDerWaalsContact O-OG1 3.07Å; D84-A88 PolarHBondContact O-N 2.82Å
85	A	59.7	Low	72.8	Confident	56 Å²	56	77.8 Å²	77.8	46%	0.463	42%	0.417	S	S	.	.	H	α-helix	trans	-58.2	-27.9	-172.3	0	0	0	0	0	114.3	F89	A85-F89 VanDerWaalsContact O-CD2 3.25Å; A85-F89 WeakPolarHBondContact O-CD2 3.47Å
86	T	65.7	Low	73	Confident	127 Å²	127	78.9 Å²	78.9	78%	0.779	42%	0.419	S	S	*	.	H	α-helix	trans	-79.4	-30.5	-180	51.8	0	0	0	0	113.4	D84	D84-T86 PolarHBondContact O-N 2.85Å
87	T	69.2	Low	73.6	Confident	52 Å²	52	81.8 Å²	81.8	32%	0.319	43%	0.434	S	S	.	.	H	α-helix	trans	-87.1	-29	179	51.3	0	0	0	0	111.7	D84 F89 V90	D84-T87 PolarHBondContact O-N 2.77Å; D84-T87 VanDerWaalsContact O-N 3.13Å; D84-T87 PolarHBondContact O-OG1 3.16Å; D84-T87 VanDerWaalsContact O-OG1 3.07Å; T87-F89 VanDerWaalsContact C-N 3.33Å; T87-F89 PolarHBondContact O-N 2.81Å; T87-V90 VanDerWaalsContact O-CB 3.26Å; T87-V90 WeakPolarHBondContact O-CB 3.4Å; T87-V90 WeakPolarHBondContact O-CG2 3.33Å; T87-V90 PolarHBondContact O-N 3.09Å
88	A	73	Confident	73.8	Confident	21 Å²	21	81.6 Å²	81.6	17%	0.174	43%	0.432	C	S	.	.	H	α-helix	trans	-59.7	-37.9	178.1	0	0	0	0	0	113.5	A77 D84 V90	A77-A88 HydrophobicContact CB-CB 4.24Å; A77-A88 WeakPolarHBondContact CB-O 3.22Å; D84-A88 PolarHBondContact O-N 2.82Å; A88-V90 VanDerWaalsContact C-N 3.27Å; A88-V90 PolarHBondContact O-N 3.17Å
89	F	83.3	Confident	73.9	Confident	62 Å²	62	73.6 Å²	73.6	27%	0.272	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-6.5	177.2	-72.7	-71.5	0	0	0	114.4	F74 A77 W78 A85 T87 E91 P92 V93	F74-F89 HydrophobicContact CD2-CD1 4.23Å; F74-F89 HydrophobicContact CD2-CE1 4.29Å; F74-F89 HydrophobicContact CE2-CD1 4.04Å; F74-F89 AromaticContact CE2-CE1 3.92Å; F74-F89 HydrophobicContact CE2-CE1 3.92Å; F74-F89 HydrophobicContact CZ-CE1 4.31Å; A77-F89 HydrophobicContact CB-CD1 4Å; A77-F89 HydrophobicContact CB-CE1 4.05Å; W78-F89 HydrophobicContact CE3-CE1 4.26Å; W78-F89 HydrophobicContact CE3-CZ 4.02Å; A85-F89 VanDerWaalsContact O-CD2 3.25Å; A85-F89 WeakPolarHBondContact O-CD2 3.47Å; T87-F89 VanDerWaalsContact C-N 3.33Å; T87-F89 PolarHBondContact O-N 2.81Å; F89-E91 PolarHBondContact O-N 3.45Å; F89-P92 HydrophobicContact CD1-CG 4.47Å; F89-P92 WeakPolarHBondContact O-CD 3.06Å; F89-P92 WeakPolarHBondContact O-CG 3.43Å; F89-V93 WeakPolarHBondContact O-CB 3.46Å; F89-V93 WeakPolarHBondContact O-CG2 3.34Å; F89-V93 PolarHBondContact O-N 3.48Å
90	V	80.9	Confident	74.4	Confident	38 Å²	38	69.4 Å²	69.4	23%	0.23	39%	0.386	C	S	.	.	H	α-helix	trans	-63.5	-44.5	-179.3	175.3	0	0	0	0	110.5	T87 A88 V93 V94 V792 I958	T87-V90 VanDerWaalsContact O-CB 3.26Å; T87-V90 WeakPolarHBondContact O-CB 3.4Å; T87-V90 WeakPolarHBondContact O-CG2 3.33Å; T87-V90 PolarHBondContact O-N 3.09Å; A88-V90 VanDerWaalsContact C-N 3.27Å; A88-V90 PolarHBondContact O-N 3.17Å; V90-V93 PolarHBondContact O-N 3.03Å; V90-V94 HydrophobicContact CG1-CG2 3.93Å; V90-V94 WeakPolarHBondContact O-CB 3.01Å; V90-V94 WeakPolarHBondContact O-CG2 3.44Å; V90-V94 PolarHBondContact O-N 3.02Å; V90-V792 HydrophobicContact CG1-CG1 4.48Å; V90-I958 HydrophobicContact CG1-CG2 4.26Å
91	E	75.5	Confident	75.1	Confident	27 Å²	27	67.2 Å²	67.2	13%	0.126	38%	0.38	C	S	.	.	H	α-helix	trans	-57.1	-57.7	-178.6	-172.3	-169.1	133.7	0	0	113.1	S73 F89 V93 V94 I95 P791 V792	S73-E91 WeakPolarHBondContact CB-OE1 3.19Å; S73-E91 WeakPolarHBondContact OG-CG 3.43Å; S73-E91 PolarHBondContact OG-OE1 2.89Å; F89-E91 PolarHBondContact O-N 3.45Å; E91-V93 VanDerWaalsContact C-N 3.3Å; E91-V93 PolarHBondContact O-N 3.26Å; E91-V94 PolarHBondContact O-N 3.32Å; E91-I95 HydrophobicContact CG-CD1 4.16Å; E91-I95 WeakPolarHBondContact O-CG1 3.41Å; E91-I95 PolarHBondContact O-N 3.03Å; E91-I95 VanDerWaalsContact O-N 3.09Å; E91-P791 HydrophobicContact CG-CB 4.27Å; E91-V792 HydrophobicContact CB-CG2 4.14Å; E91-V792 HydrophobicContact CG-CG2 4.46Å
92	P	84.1	Confident	76.1	Confident	6 Å²	6	62.5 Å²	62.5	4%	0.039	36%	0.355	C	S	.	.	H	α-helix	trans	-65.3	-32.8	-179.5	24.8	-34.5	0	0	0	112.7	F74 A77 F89 M96	F74-P92 HydrophobicContact CB-CB 3.87Å; F74-P92 HydrophobicContact CB-CG 4.37Å; F74-P92 HydrophobicContact CD2-CB 4.24Å; F74-P92 HydrophobicContact CD2-CG 4.28Å; A77-P92 HydrophobicContact CB-CG 4.47Å; F89-P92 HydrophobicContact CD1-CG 4.47Å; F89-P92 WeakPolarHBondContact O-CD 3.06Å; F89-P92 WeakPolarHBondContact O-CG 3.43Å; P92-M96 VanDerWaalsContact O-CB 3.3Å; P92-M96 WeakPolarHBondContact O-CB 3.44Å; P92-M96 PolarHBondContact O-N 2.88Å
93	V	87.9	Confident	77.7	Confident	87 Å²	87	58.1 Å²	58.1	53%	0.527	33%	0.325	S	S	.	.	H	α-helix	trans	-67.3	-42.9	177.8	169.9	0	0	0	0	111.2	F89 V90 E91 M96 L97	F89-V93 WeakPolarHBondContact O-CB 3.46Å; F89-V93 WeakPolarHBondContact O-CG2 3.34Å; F89-V93 PolarHBondContact O-N 3.48Å; V90-V93 PolarHBondContact O-N 3.03Å; E91-V93 VanDerWaalsContact C-N 3.3Å; E91-V93 PolarHBondContact O-N 3.26Å; V93-M96 PolarHBondContact O-N 2.88Å; V93-L97 VanDerWaalsContact O-CB 3.29Å; V93-L97 WeakPolarHBondContact O-CB 3.17Å; V93-L97 PolarHBondContact O-N 3.41Å
94	V	83.8	Confident	79	Confident	46 Å²	46	54.3 Å²	54.3	28%	0.279	31%	0.31	S	S	.	.	H	α-helix	trans	-65.1	-45.6	178.4	173.8	0	0	0	0	110.4	V90 E91 M96 L97 I98 L795	V90-V94 HydrophobicContact CG1-CG2 3.93Å; V90-V94 WeakPolarHBondContact O-CB 3.01Å; V90-V94 WeakPolarHBondContact O-CG2 3.44Å; V90-V94 PolarHBondContact O-N 3.02Å; E91-V94 PolarHBondContact O-N 3.32Å; V94-M96 VanDerWaalsContact C-N 3.32Å; V94-M96 PolarHBondContact O-N 2.75Å; V94-L97 PolarHBondContact O-N 2.92Å; V94-I98 HydrophobicContact CG1-CD1 4.05Å; V94-I98 WeakPolarHBondContact O-CG1 3.5Å; V94-I98 PolarHBondContact O-N 3.25Å; V94-L795 HydrophobicContact CB-CD1 4.39Å; V94-L795 HydrophobicContact CG1-CD1 3.79Å
95	I	82.7	Confident	79.8	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-58.2	-47.3	177.1	-66.5	169.9	0	0	0	110.7	L66 A70 E91 L97 I98 L99 V305 L795	L66-I95 HydrophobicContact CD2-CG2 3.42Å; L66-I95 VanDerWaalsContact CD2-CG2 3.42Å; A70-I95 HydrophobicContact CB-CB 4.21Å; A70-I95 HydrophobicContact CB-CG2 3.55Å; E91-I95 HydrophobicContact CG-CD1 4.16Å; E91-I95 WeakPolarHBondContact O-CG1 3.41Å; E91-I95 PolarHBondContact O-N 3.03Å; E91-I95 VanDerWaalsContact O-N 3.09Å; I95-L97 VanDerWaalsContact C-N 3.33Å; I95-L97 PolarHBondContact O-N 3.36Å; I95-I98 PolarHBondContact O-N 3.02Å; I95-L99 HydrophobicContact CG2-CD1 4.5Å; I95-L99 WeakPolarHBondContact O-CG 3.16Å; I95-L99 PolarHBondContact O-N 2.97Å; I95-V305 HydrophobicContact CD1-CG2 4.31Å; I95-L795 HydrophobicContact CG1-CD1 4.04Å
96	M	87.4	Confident	80.4	Confident	91 Å²	91	49.2 Å²	49.2	45%	0.448	28%	0.279	S	S	.	.	H	α-helix	trans	-66.3	-36.8	-179	-149.6	-71.7	-59.7	0	0	111.7	P92 V93 V94 L99 I100	P92-M96 VanDerWaalsContact O-CB 3.3Å; P92-M96 WeakPolarHBondContact O-CB 3.44Å; P92-M96 PolarHBondContact O-N 2.88Å; V93-M96 PolarHBondContact O-N 2.88Å; V94-M96 VanDerWaalsContact C-N 3.32Å; V94-M96 PolarHBondContact O-N 2.75Å; M96-L99 PolarHBondContact O-N 3.3Å; M96-I100 HydrophobicContact CE-CD1 3.28Å; M96-I100 HydrophobicContact CE-CG1 4.2Å; M96-I100 WeakPolarHBondContact O-CG1 3.44Å; M96-I100 PolarHBondContact O-N 2.98Å; M96-I100 HydrophobicContact SD-CD1 3.41Å; M96-I100 WeakPolarHBondContact SD-CD1 3.44Å; M96-I100 HydrophobicContact SD-CG1 3.68Å
97	L	87.7	Confident	80.9	Confident	102 Å²	102	44 Å²	44	53%	0.534	25%	0.247	S	C	.	.	H	α-helix	trans	-62.4	-42.5	174.2	-176.2	138.4	0	0	0	111.9	V93 V94 I95 I100 V101	V93-L97 VanDerWaalsContact O-CB 3.29Å; V93-L97 WeakPolarHBondContact O-CB 3.17Å; V93-L97 PolarHBondContact O-N 3.41Å; V94-L97 PolarHBondContact O-N 2.92Å; I95-L97 VanDerWaalsContact C-N 3.33Å; I95-L97 PolarHBondContact O-N 3.36Å; L97-I100 PolarHBondContact O-N 3.49Å; L97-V101 HydrophobicContact CD2-CG2 4.33Å; L97-V101 WeakPolarHBondContact O-CG2 3.38Å; L97-V101 PolarHBondContact O-N 3.15Å
98	I	83.2	Confident	81	Confident	6 Å²	6	49.5 Å²	49.5	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-61.7	-45.4	175.6	-69	169.2	0	0	0	110.5	V94 I95 I100 V101 N102 L795 L799	V94-I98 HydrophobicContact CG1-CD1 4.05Å; V94-I98 WeakPolarHBondContact O-CG1 3.5Å; V94-I98 PolarHBondContact O-N 3.25Å; I95-I98 PolarHBondContact O-N 3.02Å; I98-I100 VanDerWaalsContact C-N 3.33Å; I98-I100 PolarHBondContact O-N 2.74Å; I98-V101 PolarHBondContact O-N 3.16Å; I98-N102 WeakPolarHBondContact O-CB 3.45Å; I98-N102 PolarHBondContact O-N 3.44Å; I98-L795 HydrophobicContact CD1-CD2 3.96Å; I98-L799 HydrophobicContact CD1-CD2 4.36Å; I98-L799 HydrophobicContact CG1-CD2 4.32Å
99	L	84.4	Confident	80.6	Confident	6 Å²	6	51.9 Å²	51.9	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-42	177.2	-71.6	-178.7	0	0	0	112.5	F58 V63 L66 L67 I95 M96 A103	F58-L99 HydrophobicContact CE1-CB 4.33Å; V63-L99 HydrophobicContact CG1-CD2 3.89Å; L66-L99 HydrophobicContact CB-CD2 4.14Å; L67-L99 HydrophobicContact CB-CD1 4.07Å; L67-L99 HydrophobicContact CD1-CD1 3.97Å; I95-L99 HydrophobicContact CG2-CD1 4.5Å; I95-L99 WeakPolarHBondContact O-CG 3.16Å; I95-L99 PolarHBondContact O-N 2.97Å; M96-L99 PolarHBondContact O-N 3.3Å; L99-A103 WeakPolarHBondContact O-CB 3.41Å; L99-A103 PolarHBondContact O-N 2.74Å
100	I	87.8	Confident	79.6	Confident	73 Å²	73	53 Å²	53	37%	0.374	28%	0.275	S	S	.	.	H	α-helix	trans	-63	-48.6	175.3	-73.5	177.3	0	0	0	111	M96 L97 I98 N102 A103 I104	M96-I100 HydrophobicContact CE-CD1 3.28Å; M96-I100 HydrophobicContact CE-CG1 4.2Å; M96-I100 WeakPolarHBondContact O-CG1 3.44Å; M96-I100 PolarHBondContact O-N 2.98Å; M96-I100 HydrophobicContact SD-CD1 3.41Å; M96-I100 WeakPolarHBondContact SD-CD1 3.44Å; M96-I100 HydrophobicContact SD-CG1 3.68Å; L97-I100 PolarHBondContact O-N 3.49Å; I98-I100 VanDerWaalsContact C-N 3.33Å; I98-I100 PolarHBondContact O-N 2.74Å; I100-N102 VanDerWaalsContact C-N 3.32Å; I100-N102 PolarHBondContact O-N 2.93Å; I100-A103 PolarHBondContact O-N 2.93Å; I100-I104 HydrophobicContact CG2-CD1 3.65Å; I100-I104 HydrophobicContact CG2-CG1 4.3Å; I100-I104 VanDerWaalsContact O-CG1 3.3Å; I100-I104 WeakPolarHBondContact O-CG1 3.49Å; I100-I104 PolarHBondContact O-N 2.99Å
101	V	83.5	Confident	78.8	Confident	69 Å²	69	58.8 Å²	58.8	42%	0.418	29%	0.293	S	S	.	.	H	α-helix	trans	-61	-45.2	-178.9	170.9	0	0	0	0	110.2	L97 I98 A103 I104 V105	L97-V101 HydrophobicContact CD2-CG2 4.33Å; L97-V101 WeakPolarHBondContact O-CG2 3.38Å; L97-V101 PolarHBondContact O-N 3.15Å; I98-V101 PolarHBondContact O-N 3.16Å; V101-A103 PolarHBondContact O-N 3.37Å; V101-I104 PolarHBondContact O-N 3.31Å; V101-V105 HydrophobicContact CG1-CG2 4.46Å; V101-V105 WeakPolarHBondContact O-CG2 3.4Å; V101-V105 PolarHBondContact O-N 3.06Å
102	N	77.1	Confident	77.8	Confident	43 Å²	43	62.5 Å²	62.5	23%	0.23	31%	0.314	C	S	.	.	H	α-helix	trans	-61.3	-43	176.7	-74.7	-10.7	0	0	0	111.8	I98 I100 V105 G106	I98-N102 WeakPolarHBondContact O-CB 3.45Å; I98-N102 PolarHBondContact O-N 3.44Å; I100-N102 VanDerWaalsContact C-N 3.32Å; I100-N102 PolarHBondContact O-N 2.93Å; N102-V105 PolarHBondContact O-N 3.16Å; N102-G106 PolarHBondContact O-N 2.83Å
103	A	82.7	Confident	76.2	Confident	11 Å²	11	65.5 Å²	65.5	9%	0.091	34%	0.339	C	S	.	.	H	α-helix	trans	-64.2	-40.8	176.5	0	0	0	0	0	112.5	Q57 F58 L99 I100 V101 G106 V107	Q57-A103 HydrophobicContact CB-CB 4.13Å; F58-A103 HydrophobicContact CE2-CB 4.05Å; F58-A103 HydrophobicContact CZ-CB 4.19Å; L99-A103 WeakPolarHBondContact O-CB 3.41Å; L99-A103 PolarHBondContact O-N 2.74Å; I100-A103 PolarHBondContact O-N 2.93Å; V101-A103 PolarHBondContact O-N 3.37Å; A103-G106 PolarHBondContact O-N 3.42Å; A103-V107 VanDerWaalsContact O-CG2 3.32Å; A103-V107 WeakPolarHBondContact O-CG2 3.33Å; A103-V107 PolarHBondContact O-N 2.94Å
104	I	83.3	Confident	74.7	Confident	108 Å²	108	65.1 Å²	65.1	55%	0.554	33%	0.332	S	S	*	.	H	α-helix	trans	-63	-47.5	176.5	-69.5	168.3	0	0	0	110.5	I100 V101 G106 V107 W108	I100-I104 HydrophobicContact CG2-CD1 3.65Å; I100-I104 HydrophobicContact CG2-CG1 4.3Å; I100-I104 VanDerWaalsContact O-CG1 3.3Å; I100-I104 WeakPolarHBondContact O-CG1 3.49Å; I100-I104 PolarHBondContact O-N 2.99Å; V101-I104 PolarHBondContact O-N 3.31Å; I104-G106 VanDerWaalsContact C-N 3.32Å; I104-G106 PolarHBondContact O-N 3.2Å; I104-V107 PolarHBondContact O-N 3.44Å; I104-W108 WeakPolarHBondContact O-CB 3.48Å; I104-W108 PolarHBondContact O-N 3.3Å
105	V	73.7	Confident	73.5	Confident	48 Å²	48	65.4 Å²	65.4	29%	0.291	34%	0.336	S	S	.	.	H	α-helix	trans	-61	-43.7	178.3	172.5	0	0	0	0	110.4	V101 N102 W108 Q109 T317	V101-V105 HydrophobicContact CG1-CG2 4.46Å; V101-V105 WeakPolarHBondContact O-CG2 3.4Å; V101-V105 PolarHBondContact O-N 3.06Å; N102-V105 PolarHBondContact O-N 3.16Å; V105-W108 PolarHBondContact O-N 2.97Å; V105-Q109 WeakPolarHBondContact O-CG 3.4Å; V105-Q109 PolarHBondContact O-N 3.34Å; V105-T317 HydrophobicContact CG1-CG2 4.47Å
106	G	71.3	Confident	72	Confident	10 Å²	10	66 Å²	66	10%	0.103	34%	0.341	C	S	.	.	H	α-helix	trans	-60.9	-50	177	0	0	0	0	0	113.3	N102 A103 I104 W108 Q109 E110	N102-G106 PolarHBondContact O-N 2.83Å; A103-G106 PolarHBondContact O-N 3.42Å; I104-G106 VanDerWaalsContact C-N 3.32Å; I104-G106 PolarHBondContact O-N 3.2Å; G106-W108 VanDerWaalsContact C-N 3.33Å; G106-W108 PolarHBondContact O-N 3.39Å; G106-Q109 PolarHBondContact O-N 2.85Å; G106-E110 PolarHBondContact O-N 2.87Å
107	V	76.9	Confident	70.6	Confident	19 Å²	19	62.1 Å²	62.1	12%	0.115	32%	0.322	C	S	.	.	H	α-helix	trans	-64.8	-37	179.6	173.2	0	0	0	0	112.1	L50 L53 V54 Q57 A103 I104 Q109 E110 R111	L50-V107 HydrophobicContact CD2-CG1 4.41Å; L53-V107 HydrophobicContact CB-CG1 4.36Å; L53-V107 HydrophobicContact CB-CG2 4.26Å; V54-V107 HydrophobicContact CB-CG2 4.44Å; V54-V107 HydrophobicContact CG2-CG2 3.86Å; Q57-V107 HydrophobicContact CG-CG2 3.94Å; A103-V107 VanDerWaalsContact O-CG2 3.32Å; A103-V107 WeakPolarHBondContact O-CG2 3.33Å; A103-V107 PolarHBondContact O-N 2.94Å; I104-V107 PolarHBondContact O-N 3.44Å; V107-Q109 VanDerWaalsContact C-N 3.29Å; V107-Q109 PolarHBondContact O-N 3.02Å; V107-E110 PolarHBondContact O-N 3.29Å; V107-R111 PolarHBondContact O-N 3.01Å
108	W	71.7	Confident	69.5	Low	167 Å²	167	64 Å²	64	63%	0.633	33%	0.328	S	S	*	.	H	α-helix	trans	-64.2	-35.2	178	-179	60.7	0	0	0	112.4	I104 V105 G106 N112	I104-W108 WeakPolarHBondContact O-CB 3.48Å; I104-W108 PolarHBondContact O-N 3.3Å; V105-W108 PolarHBondContact O-N 2.97Å; G106-W108 VanDerWaalsContact C-N 3.33Å; G106-W108 PolarHBondContact O-N 3.39Å; W108-N112 PolarHBondContact O-ND2 2.91Å
109	Q	64	Low	68.6	Low	71 Å²	71	64.3 Å²	64.3	33%	0.332	33%	0.331	S	S	.	.	H	α-helix	trans	-67.8	-43.9	176	-70.5	172.6	12.8	0	0	112.2	V105 G106 V107 R111 N112 T317	V105-Q109 WeakPolarHBondContact O-CG 3.4Å; V105-Q109 PolarHBondContact O-N 3.34Å; G106-Q109 PolarHBondContact O-N 2.85Å; V107-Q109 VanDerWaalsContact C-N 3.29Å; V107-Q109 PolarHBondContact O-N 3.02Å; Q109-R111 PolarHBondContact O-N 2.83Å; Q109-N112 PolarHBondContact O-N 3.44Å; Q109-T317 PolarHBondContact NE2-OG1 2.9Å
110	E	63.1	Low	67.3	Low	85 Å²	85	64.1 Å²	64.1	40%	0.397	33%	0.33	S	S	.	.	H	α-helix	trans	-70.7	-33.1	-173.8	-156.7	161.8	-174.7	0	0	112.4	L53 G106 V107 N112 A113	L53-E110 HydrophobicContact CD2-CB 4.43Å; L53-E110 HydrophobicContact CD2-CG 3.96Å; G106-E110 PolarHBondContact O-N 2.87Å; V107-E110 PolarHBondContact O-N 3.29Å; E110-N112 PolarHBondContact O-N 3.33Å; E110-A113 PolarHBondContact O-N 3.28Å
111	R	63.6	Low	66.3	Low	160 Å²	160	64.5 Å²	64.5	60%	0.604	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-64.8	-23.4	-179.7	-171.5	174.4	175.2	167.6	-0.3	114.2	V107 Q109 A113	V107-R111 PolarHBondContact O-N 3.01Å; Q109-R111 PolarHBondContact O-N 2.83Å; R111-A113 PolarHBondContact O-N 2.77Å
112	N	53.7	Low	65.7	Low	104 Å²	104	67.4 Å²	67.4	56%	0.556	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-77	-5.3	-176.7	-72.6	-31.7	0	0	0	113.9	W108 Q109 E110	W108-N112 PolarHBondContact O-ND2 2.91Å; Q109-N112 PolarHBondContact O-N 3.44Å; E110-N112 PolarHBondContact O-N 3.33Å
113	A	51.8	Low	65.3	Low	70 Å²	70	66.9 Å²	66.9	58%	0.579	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-91.8	-16.1	-170.2	0	0	0	0	0	116.4	E110 R111 S115	E110-A113 PolarHBondContact O-N 3.28Å; R111-A113 PolarHBondContact O-N 2.77Å; A113-S115 PolarHBondContact O-N 2.86Å
114	E	55.3	Low	64.8	Low	78 Å²	78	69.3 Å²	69.3	36%	0.364	34%	0.342	S	S	.	.			trans	-90.7	14.7	-158.9	-73.1	-177.5	162.2	0	0	118	A116	E114-A116 PolarHBondContact O-N 3.25Å
115	S	58.6	Low	64.4	Low	52 Å²	52	65.1 Å²	65.1	36%	0.364	32%	0.323	S	S	.	.			trans	-84.3	5.4	-172.1	51.9	0	0	0	0	117	A113 I117 R335	A113-S115 PolarHBondContact O-N 2.86Å; S115-I117 PolarHBondContact O-N 3.26Å; S115-R335 PolarHBondContact OG-NH2 2.96Å
116	A	51.7	Low	64.8	Low	13 Å²	13	69.9 Å²	69.9	11%	0.107	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-40.2	-165.9	0	0	0	0	0	116	E114 S731	E114-A116 PolarHBondContact O-N 3.25Å; A116-S731 VanDerWaalsContact CA-CB 3.46Å; A116-S731 WeakPolarHBondContact CA-OG 3.39Å; A116-S731 WeakPolarHBondContact CB-O 3.43Å; A116-S731 PolarHBondContact O-OG 2.74Å; A116-S731 VanDerWaalsContact O-OG 3.11Å
117	I	56.5	Low	65.7	Low	9 Å²	9	73.4 Å²	73.4	5%	0.046	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-28.5	-169.4	-57	-169.2	0	0	0	111.6	E45 S115 A119 L120 I240 M241	E45-I117 VanDerWaalsContact OE2-CD1 3.26Å; E45-I117 WeakPolarHBondContact OE2-CD1 3.41Å; S115-I117 PolarHBondContact O-N 3.26Å; I117-A119 PolarHBondContact O-N 2.76Å; I117-L120 WeakPolarHBondContact O-CB 3.41Å; I117-L120 PolarHBondContact O-N 3.2Å; I117-L120 VanDerWaalsContact O-N 3.08Å; I117-I240 HydrophobicContact CD1-CG2 4.46Å; I117-M241 HydrophobicContact CD1-CE 3.08Å; I117-M241 HydrophobicContact CD1-CG 4.01Å; I117-M241 HydrophobicContact CD1-SD 3.3Å; I117-M241 WeakPolarHBondContact CD1-SD 3.49Å
118	E	65.8	Low	66.4	Low	143 Å²	143	72.8 Å²	72.8	67%	0.668	36%	0.363	S	S	*	.	H	α-helix	trans	-59.6	-35.1	171	-79.6	-178	154	0	0	111.6	L120 K121	E118-L120 VanDerWaalsContact C-N 3.28Å; E118-L120 PolarHBondContact O-N 2.85Å; E118-K121 PolarHBondContact O-N 2.88Å
119	A	64.1	Low	67.5	Low	12 Å²	12	68.2 Å²	68.2	10%	0.099	35%	0.348	C	S	.	.	H	α-helix	trans	-66.7	-25.2	176.2	0	0	0	0	0	113.7	I117 Y123 A727 V728	I117-A119 PolarHBondContact O-N 2.76Å; A119-Y123 WeakPolarHBondContact O-CD2 3.43Å; A119-A727 HydrophobicContact CB-CB 4.03Å; A119-V728 HydrophobicContact CB-CG2 4.18Å; A119-V728 WeakPolarHBondContact O-CG2 3.5Å
120	L	57.6	Low	68.9	Low	1 Å²	1	64.9 Å²	64.9	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-71.2	-35	174.8	-88.9	158.6	0	0	0	111.5	I117 E118 E122 Y123 I233 R237 I240 V707 V728	I117-L120 WeakPolarHBondContact O-CB 3.41Å; I117-L120 PolarHBondContact O-N 3.2Å; I117-L120 VanDerWaalsContact O-N 3.08Å; E118-L120 VanDerWaalsContact C-N 3.28Å; E118-L120 PolarHBondContact O-N 2.85Å; L120-E122 PolarHBondContact O-N 2.99Å; L120-Y123 WeakPolarHBondContact O-CB 3.38Å; L120-Y123 PolarHBondContact O-N 3.09Å; L120-I233 HydrophobicContact CD2-CD1 4.13Å; L120-I233 HydrophobicContact CD2-CG1 4.06Å; L120-R237 HydrophobicContact CD1-CB 4.28Å; L120-R237 HydrophobicContact CD1-CG 4.24Å; L120-I240 HydrophobicContact CD1-CD1 4.02Å; L120-V707 HydrophobicContact CD2-CG1 3.62Å; L120-V728 HydrophobicContact CB-CG2 4.32Å; L120-V728 HydrophobicContact CD1-CG1 4.13Å; L120-V728 HydrophobicContact CD2-CG1 3.85Å; L120-V728 HydrophobicContact CD2-CG2 3.87Å; L120-V728 HydrophobicContact CG-CB 4.36Å; L120-V728 HydrophobicContact CG-CG1 3.65Å; L120-V728 HydrophobicContact CG-CG2 3.7Å
121	K	67.2	Low	70.3	Confident	81 Å²	81	62 Å²	62	35%	0.352	32%	0.32	S	S	.	.	H	α-helix	trans	-64	-25.8	178.4	-71.7	-173.7	173.5	-176.1	0	112.7	L42 E118 Y123 E124	L42-K121 WeakPolarHBondContact O-CE 3.39Å; E118-K121 PolarHBondContact O-N 2.88Å; K121-Y123 PolarHBondContact O-N 3.5Å; K121-Y123 VanDerWaalsContact O-N 3.08Å; K121-E124 PolarHBondContact O-N 3.17Å; K121-E124 VanDerWaalsContact O-N 3.08Å
122	E	70.9	Confident	71.6	Confident	130 Å²	130	55.5 Å²	55.5	61%	0.607	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-15	173.3	-68.8	-171.5	160.3	0	0	113.5	L120 R159	L120-E122 PolarHBondContact O-N 2.99Å; E122-R159 PolarHBondContact O-NH1 3.03Å
123	Y	66.6	Low	73.2	Confident	33 Å²	33	55 Å²	55	13%	0.129	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-12.7	176.6	-66.8	-89.8	0	0	0	113.8	A119 L120 K121 I180 T726 V728	A119-Y123 WeakPolarHBondContact O-CD2 3.43Å; L120-Y123 WeakPolarHBondContact O-CB 3.38Å; L120-Y123 PolarHBondContact O-N 3.09Å; K121-Y123 PolarHBondContact O-N 3.5Å; K121-Y123 VanDerWaalsContact O-N 3.08Å; Y123-I180 HydrophobicContact CD1-CG2 4.09Å; Y123-I180 HydrophobicContact CE1-CG2 3.81Å; Y123-T726 WeakPolarHBondContact OH-CB 3.29Å; Y123-V728 HydrophobicContact CD2-CG2 3.98Å; Y123-V728 HydrophobicContact CE2-CG2 3.59Å
124	E	73.2	Confident	74.5	Confident	61 Å²	61	55.5 Å²	55.5	29%	0.285	30%	0.302	S	S	.	.	S	Bend	trans	-66.4	141	170.4	-66.7	-176.3	154.1	0	0	109.3	L42 K121	L42-E124 VanDerWaalsContact CB-OE1 3.29Å; L42-E124 WeakPolarHBondContact CB-OE1 3.44Å; L42-E124 WeakPolarHBondContact CG-OE1 3.33Å; L42-E124 PolarHBondContact N-OE1 3.43Å; K121-E124 PolarHBondContact O-N 3.17Å; K121-E124 VanDerWaalsContact O-N 3.08Å
125	S	74.2	Confident	75.7	Confident	20 Å²	20	58.7 Å²	58.7	14%	0.14	31%	0.311	C	S	.	.			trans	-80.7	142.7	172.1	78.4	0	0	0	0	109.5	T127 A143 P161	S125-T127 VanDerWaalsContact C-N 3.34Å; S125-T127 PolarHBondContact OG-O 3.28Å; S125-A143 WeakPolarHBondContact O-CB 3.47Å; S125-A143 WeakPolarHBondContact OG-CB 3.45Å; S125-P161 VanDerWaalsContact OG-CB 3.31Å; S125-P161 WeakPolarHBondContact OG-CB 3.33Å
126	D	82.9	Confident	76.5	Confident	148 Å²	148	66 Å²	66	79%	0.791	34%	0.34	S	S	*	.	S	Bend	trans	-71.8	-34.4	173.4	-90.7	-27.3	0	0	0	111.6	K142 A143	D126-K142 WeakPolarHBondContact O-CA 3.35Å; D126-A143 PolarHBondContact O-N 2.81Å
127	T	90.3	Very high	77.8	Confident	85 Å²	85	67.7 Å²	67.7	52%	0.521	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	155.6	-173.6	60.3	0	0	0	0	112	S125 V141	S125-T127 VanDerWaalsContact C-N 3.34Å; S125-T127 PolarHBondContact OG-O 3.28Å; T127-V141 CarbonylContact C-O 3.57Å; T127-V141 VanDerWaalsContact CA-O 3.28Å; T127-V141 WeakPolarHBondContact CA-O 3.27Å
128	A	91.8	Very high	79.3	Confident	5 Å²	5	70.3 Å²	70.3	4%	0.041	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	145.9	176.2	0	0	0	0	0	110.5	S140 V141 A143 L146 P161	A128-S140 WeakPolarHBondContact O-CA 3.19Å; A128-V141 HydrophobicContact CB-CG2 4.32Å; A128-V141 PolarHBondContact N-O 3.39Å; A128-V141 PolarHBondContact O-N 2.93Å; A128-A143 HydrophobicContact CB-CB 4.33Å; A128-L146 HydrophobicContact CB-CD1 3.53Å; A128-L146 HydrophobicContact CB-CD2 4.25Å; A128-L146 HydrophobicContact CB-CG 3.94Å; A128-P161 HydrophobicContact CB-CB 3.93Å; A128-P161 HydrophobicContact CB-CG 3.93Å
129	K	94.1	Very high	80.4	Confident	72 Å²	72	65.2 Å²	65.2	31%	0.313	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	117.8	177	-68.1	169.9	-164.4	157.4	0	109.3	V138 Q139 V152 E153 D158	K129-V138 HydrophobicContact CB-CG1 3.68Å; K129-V138 HydrophobicContact CG-CG1 4.28Å; K129-Q139 CarbonylContact C-O 3.57Å; K129-Q139 VanDerWaalsContact CA-O 3.3Å; K129-Q139 WeakPolarHBondContact CA-O 3.05Å; K129-V152 VanDerWaalsContact O-CA 3.28Å; K129-V152 WeakPolarHBondContact O-CA 3.28Å; K129-E153 HydrophobicContact CB-CB 4.38Å; K129-E153 WeakPolarHBondContact CB-O 3.41Å; K129-E153 PolarHBondContact O-N 3.26Å; K129-D158 IonicContact NZ-OD1 3.07Å; K129-D158 PolarHBondContact NZ-OD1 3.33Å; K129-D158 IonicContact NZ-OD2 2.71Å; K129-D158 PolarHBondContact NZ-OD2 3.49Å
130	V	94.4	Very high	81.7	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	153	-175.1	-64.1	0	0	0	0	112.5	R132 Q139 V141 L146 I151 V152	V130-R132 HydrophobicContact CB-CG 4.35Å; V130-R132 HydrophobicContact CG2-CG 4.02Å; V130-Q139 HydrophobicContact CG2-CB 4.22Å; V130-Q139 PolarHBondContact N-O 3.02Å; V130-Q139 PolarHBondContact O-N 3.39Å; V130-V141 HydrophobicContact CB-CG2 4.41Å; V130-V141 HydrophobicContact CG1-CG2 3.81Å; V130-V141 HydrophobicContact CG2-CB 4.34Å; V130-V141 HydrophobicContact CG2-CG1 3.7Å; V130-V141 HydrophobicContact CG2-CG2 3.68Å; V130-L146 HydrophobicContact CG1-CD2 3.36Å; V130-I151 CarbonylContact C-O 3.55Å; V130-I151 VanDerWaalsContact CA-O 3.26Å; V130-I151 WeakPolarHBondContact CA-O 3.43Å; V130-V152 HydrophobicContact CG1-CG1 3.83Å
131	V	92.2	Very high	83.4	Confident	24 Å²	24	69.7 Å²	69.7	15%	0.145	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	120.3	164.7	-177.5	0	0	0	0	107.3	E22 G24 V138 I151	E22-V131 WeakPolarHBondContact O-CG1 3.3Å; G24-V131 WeakPolarHBondContact CA-O 3.36Å; V131-V138 HydrophobicContact CG2-CG2 4.03Å; V131-I151 HydrophobicContact CB-CB 4.25Å; V131-I151 HydrophobicContact CB-CG2 4.19Å; V131-I151 HydrophobicContact CG2-CG2 4.42Å; V131-I151 PolarHBondContact N-O 2.96Å
132	R	91.3	Very high	84.6	Confident	24 Å²	24	71.8 Å²	71.8	9%	0.091	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-134.6	148.4	-177.8	-72.6	177	167.9	177.5	0.2	110.6	T23 I30 V130 E145 D150	T23-R132 CarbonylContact O-C 3.55Å; I30-R132 VanDerWaalsContact CD1-CD 3.47Å; I30-R132 HydrophobicContact CD1-CG 3.99Å; V130-R132 HydrophobicContact CB-CG 4.35Å; V130-R132 HydrophobicContact CG2-CG 4.02Å; R132-E145 PolarHBondContact NH2-O 2.87Å; R132-D150 IonicContact CZ-OD1 2.72Å; R132-D150 IonicContact CZ-OD2 3.15Å; R132-D150 IonicContact NE-OD1 2.63Å; R132-D150 PolarHBondContact NE-OD1 3.34Å; R132-D150 VanDerWaalsContact NE-OD1 3.15Å; R132-D150 IonicContact NE-OD2 3.71Å; R132-D150 IonicContact NH2-OD1 3.9Å; R132-D150 IonicContact NH2-OD2 3.89Å; R132-D150 PolarHBondContact NH2-OD2 3.41Å
133	Q	85.7	Confident	85.6	Confident	94 Å²	94	65.8 Å²	65.8	44%	0.439	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	135.3	-170.9	-161.3	172.2	13	0	0	111	T23 L25	T23-Q133 WeakPolarHBondContact O-CA 3.44Å; T23-Q133 WeakPolarHBondContact O-CB 3.39Å; T23-Q133 PolarHBondContact O-N 3.43Å; L25-Q133 WeakPolarHBondContact O-CB 3.36Å; L25-Q133 PolarHBondContact O-N 3Å
134	G	79.8	Confident	86.8	Confident	80 Å²	80	69.2 Å²	69.2	83%	0.825	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.8	-2.8	-178.1	0	0	0	0	0	114.7
135	Y	81.5	Confident	87.7	Confident	145 Å²	145	69.6 Å²	69.6	57%	0.569	38%	0.377	S	S	*	.	S	Bend	trans	-122.4	151.2	173.5	-63.2	-96.7	0	0	0	109.9	Q139	Y135-Q139 HydrophobicContact CD1-CG 4.46Å; Y135-Q139 HydrophobicContact CG-CG 4.3Å
136	Q	75.4	Confident	88.7	Confident	205 Å²	205	68.6 Å²	68.6	96%	0.958	37%	0.371	S	S	*	.	S	Bend	trans	-93.6	118.2	174.1	-68.5	-169.1	-16.3	0	0	109.7
137	G	78.9	Confident	89.2	Confident	49 Å²	49	61.6 Å²	61.6	51%	0.505	33%	0.333	S	S	.	.	S	Bend	trans	87.5	-172.3	176.3	0	0	0	0	0	115
138	V	87	Confident	89.4	Confident	64 Å²	64	57.6 Å²	57.6	39%	0.388	31%	0.308	S	S	.	.			trans	-77	134	-178.4	178.3	0	0	0	0	110.1	K129 V131 E153	K129-V138 HydrophobicContact CB-CG1 3.68Å; K129-V138 HydrophobicContact CG-CG1 4.28Å; V131-V138 HydrophobicContact CG2-CG2 4.03Å; V138-E153 HydrophobicContact CG1-CB 4.49Å
139	Q	90	Very high	89.5	Confident	36 Å²	36	57.3 Å²	57.3	17%	0.168	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	144.1	178.3	-64.4	168.4	61.4	0	0	110.7	K129 V130 Y135	K129-Q139 CarbonylContact C-O 3.57Å; K129-Q139 VanDerWaalsContact CA-O 3.3Å; K129-Q139 WeakPolarHBondContact CA-O 3.05Å; V130-Q139 HydrophobicContact CG2-CB 4.22Å; V130-Q139 PolarHBondContact N-O 3.02Å; V130-Q139 PolarHBondContact O-N 3.39Å; Y135-Q139 HydrophobicContact CD1-CG 4.46Å; Y135-Q139 HydrophobicContact CG-CG 4.3Å
140	S	90.8	Very high	89.5	Confident	89 Å²	89	53.9 Å²	53.9	62%	0.622	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	119.3	167.2	-172.4	0	0	0	0	109.4	A128	A128-S140 WeakPolarHBondContact O-CA 3.19Å
141	V	92.8	Very high	89.6	Confident	18 Å²	18	53.9 Å²	53.9	11%	0.109	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	167.2	174.1	-63.3	0	0	0	0	109.9	T127 A128 V130	T127-V141 CarbonylContact C-O 3.57Å; T127-V141 VanDerWaalsContact CA-O 3.28Å; T127-V141 WeakPolarHBondContact CA-O 3.27Å; A128-V141 HydrophobicContact CB-CG2 4.32Å; A128-V141 PolarHBondContact N-O 3.39Å; A128-V141 PolarHBondContact O-N 2.93Å; V130-V141 HydrophobicContact CB-CG2 4.41Å; V130-V141 HydrophobicContact CG1-CG2 3.81Å; V130-V141 HydrophobicContact CG2-CB 4.34Å; V130-V141 HydrophobicContact CG2-CG1 3.7Å; V130-V141 HydrophobicContact CG2-CG2 3.68Å
142	K	92.8	Very high	89.7	Confident	126 Å²	126	52.9 Å²	52.9	55%	0.548	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	136.6	169.3	-68.5	-176.1	176.4	-175.7	0	109	D126 R144 E145	D126-K142 WeakPolarHBondContact O-CA 3.35Å; K142-R144 HydrophobicContact CB-CG 4.26Å; K142-R144 PolarHBondContact O-N 3.21Å; K142-R144 VanDerWaalsContact O-N 3.16Å; K142-E145 HydrophobicContact CB-CG 4.27Å; K142-E145 WeakPolarHBondContact O-CB 3.38Å; K142-E145 PolarHBondContact O-N 3.4Å
143	A	91.7	Very high	89.9	Confident	4 Å²	4	53.2 Å²	53.2	3%	0.033	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-60.1	-31.2	-177	0	0	0	0	0	112.7	N40 S125 D126 A128 E145 L146 P161	N40-A143 WeakPolarHBondContact CB-O 3.49Å; N40-A143 PolarHBondContact ND2-O 2.99Å; N40-A143 VanDerWaalsContact ND2-O 3.11Å; S125-A143 WeakPolarHBondContact O-CB 3.47Å; S125-A143 WeakPolarHBondContact OG-CB 3.45Å; D126-A143 PolarHBondContact O-N 2.81Å; A128-A143 HydrophobicContact CB-CB 4.33Å; A143-E145 PolarHBondContact O-N 2.83Å; A143-L146 WeakPolarHBondContact O-CB 3.45Å; A143-L146 PolarHBondContact O-N 3.02Å; A143-L146 VanDerWaalsContact O-N 3.14Å; A143-P161 HydrophobicContact CB-CB 4.16Å
144	R	92.2	Very high	90.4	Very high	105 Å²	105	49 Å²	49	40%	0.396	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-60.2	-23.8	175.4	82.4	174.5	-154.7	161.2	8.5	114.5	Y39 N40 E41 K142 L146	Y39-R144 HydrophobicContact CD1-CG 4.21Å; Y39-R144 WeakPolarHBondContact CD1-O 3.33Å; N40-R144 PolarHBondContact N-O 3.46Å; N40-R144 WeakPolarHBondContact O-CA 3.46Å; E41-R144 HydrophobicContact CB-CB 4.42Å; K142-R144 HydrophobicContact CB-CG 4.26Å; K142-R144 PolarHBondContact O-N 3.21Å; K142-R144 VanDerWaalsContact O-N 3.16Å; R144-L146 VanDerWaalsContact C-N 3.31Å
145	E	92.8	Very high	91.1	Very high	68 Å²	68	46.1 Å²	46.1	32%	0.318	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-89	1.5	-178.3	-63.2	178	-177.3	0	0	112.8	R132 K142 A143	R132-E145 PolarHBondContact NH2-O 2.87Å; K142-E145 HydrophobicContact CB-CG 4.27Å; K142-E145 WeakPolarHBondContact O-CB 3.38Å; K142-E145 PolarHBondContact O-N 3.4Å; A143-E145 PolarHBondContact O-N 2.83Å
146	L	93.9	Very high	91.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.236	C	C	.	.			trans	-66.9	142.1	170.8	-78.2	168.4	0	0	0	110.8	N40 A128 V130 A143 R144 D150 V152 P161 A162 V224	N40-L146 HydrophobicContact CB-CB 4.14Å; N40-L146 WeakPolarHBondContact CB-O 3.3Å; A128-L146 HydrophobicContact CB-CD1 3.53Å; A128-L146 HydrophobicContact CB-CD2 4.25Å; A128-L146 HydrophobicContact CB-CG 3.94Å; V130-L146 HydrophobicContact CG1-CD2 3.36Å; A143-L146 WeakPolarHBondContact O-CB 3.45Å; A143-L146 PolarHBondContact O-N 3.02Å; A143-L146 VanDerWaalsContact O-N 3.14Å; R144-L146 VanDerWaalsContact C-N 3.31Å; L146-D150 HydrophobicContact CD2-CB 4.03Å; L146-V152 HydrophobicContact CD2-CG1 3.53Å; L146-P161 HydrophobicContact CD1-CB 3.52Å; L146-P161 HydrophobicContact CD1-CG 3.53Å; L146-A162 HydrophobicContact CD1-CB 4.24Å; L146-V224 HydrophobicContact CD2-CG2 4.18Å
147	V	94.8	Very high	92.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.222	C	C	.	.			trans	-129.7	154.7	174.8	-66.5	0	0	0	0	110.8	L25 I30 L34 G149 D150	L25-V147 HydrophobicContact CD1-CG2 3.84Å; I30-V147 HydrophobicContact CG1-CG2 4.39Å; I30-V147 HydrophobicContact CG2-CG2 4.37Å; L34-V147 HydrophobicContact CB-CG1 4.15Å; L34-V147 HydrophobicContact CD1-CG1 3.81Å; L34-V147 HydrophobicContact CG-CG1 3.8Å; V147-G149 PolarHBondContact O-N 3Å; V147-D150 PolarHBondContact N-OD2 3.09Å; V147-D150 WeakPolarHBondContact O-CB 3.23Å; V147-D150 PolarHBondContact O-N 3.29Å; V147-D150 VanDerWaalsContact O-N 3.09Å
148	P	94.4	Very high	92.9	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	132.1	171.1	-26.2	36	0	0	0	111.6	M1 Y17 Y37 T227	M1-P148 HydrophobicContact CE-CG 4.21Å; M1-P148 HydrophobicContact CG-CG 4.21Å; M1-P148 HydrophobicContact SD-CG 4.23Å; Y17-P148 HydrophobicContact CD1-CB 4.43Å; Y17-P148 HydrophobicContact CE1-CB 3.68Å; Y37-P148 HydrophobicContact CD1-CG 4.22Å; Y37-P148 HydrophobicContact CD2-CB 4.38Å; Y37-P148 HydrophobicContact CD2-CG 3.85Å; Y37-P148 HydrophobicContact CE2-CB 4.42Å; Y37-P148 HydrophobicContact CE2-CG 4.31Å; Y37-P148 HydrophobicContact CG-CG 3.82Å; P148-T227 HydrophobicContact CG-CG2 4.15Å
149	G	92.9	Very high	93.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.1	-12.1	-175	0	0	0	0	0	115.4	L25 V147 V224	L25-G149 VanDerWaalsContact CD1-C 3.48Å; L25-G149 WeakPolarHBondContact CG-O 3.33Å; V147-G149 PolarHBondContact O-N 3Å; G149-V224 PolarHBondContact N-O 3.32Å
150	D	94.6	Very high	93.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.			trans	-61.6	138.7	173.2	-94.1	-33.5	0	0	0	110.3	L25 R132 L146 V147 I223 V224	L25-D150 HydrophobicContact CD1-CB 4.47Å; R132-D150 IonicContact CZ-OD1 2.72Å; R132-D150 IonicContact CZ-OD2 3.15Å; R132-D150 IonicContact NE-OD1 2.63Å; R132-D150 PolarHBondContact NE-OD1 3.34Å; R132-D150 VanDerWaalsContact NE-OD1 3.15Å; R132-D150 IonicContact NE-OD2 3.71Å; R132-D150 IonicContact NH2-OD1 3.9Å; R132-D150 IonicContact NH2-OD2 3.89Å; R132-D150 PolarHBondContact NH2-OD2 3.41Å; L146-D150 HydrophobicContact CD2-CB 4.03Å; V147-D150 PolarHBondContact N-OD2 3.09Å; V147-D150 WeakPolarHBondContact O-CB 3.23Å; V147-D150 PolarHBondContact O-N 3.29Å; V147-D150 VanDerWaalsContact O-N 3.09Å; D150-I223 WeakPolarHBondContact O-CA 3.5Å; D150-V224 HydrophobicContact CB-CG2 4.09Å; D150-V224 PolarHBondContact O-N 2.77Å
151	I	95.5	Very high	93.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	122.1	170.7	-58.6	-59.4	0	0	0	107.8	L14 T19 V130 V131 V221 G222 I223	L14-I151 HydrophobicContact CD2-CD1 4.1Å; T19-I151 HydrophobicContact CG2-CD1 4.28Å; V130-I151 CarbonylContact C-O 3.55Å; V130-I151 VanDerWaalsContact CA-O 3.26Å; V130-I151 WeakPolarHBondContact CA-O 3.43Å; V131-I151 HydrophobicContact CB-CB 4.25Å; V131-I151 HydrophobicContact CB-CG2 4.19Å; V131-I151 HydrophobicContact CG2-CG2 4.42Å; V131-I151 PolarHBondContact N-O 2.96Å; I151-V221 HydrophobicContact CG2-CG1 3.56Å; I151-G222 WeakPolarHBondContact CA-O 3.17Å; I151-I223 HydrophobicContact CD1-CB 3.99Å; I151-I223 HydrophobicContact CD1-CD1 4.16Å; I151-I223 HydrophobicContact CD1-CG1 4.17Å
152	V	95.5	Very high	93.6	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143.3	-174.8	-75.3	0	0	0	0	111	K129 V130 L146 I164 V221 G222 V224	K129-V152 VanDerWaalsContact O-CA 3.28Å; K129-V152 WeakPolarHBondContact O-CA 3.28Å; V130-V152 HydrophobicContact CG1-CG1 3.83Å; L146-V152 HydrophobicContact CD2-CG1 3.53Å; V152-I164 HydrophobicContact CB-CD1 4.39Å; V152-I164 HydrophobicContact CG2-CB 4.36Å; V152-I164 HydrophobicContact CG2-CD1 3.48Å; V152-I164 VanDerWaalsContact CG2-CD1 3.48Å; V152-I164 HydrophobicContact CG2-CG1 3.64Å; V152-I164 HydrophobicContact CG2-CG2 3.74Å; V152-V221 WeakPolarHBondContact O-CA 3.44Å; V152-G222 WeakPolarHBondContact CG2-O 3.4Å; V152-G222 PolarHBondContact N-O 2.86Å; V152-G222 PolarHBondContact O-N 3.02Å; V152-V224 HydrophobicContact CG1-CG2 3.71Å; V152-V224 HydrophobicContact CG2-CG2 3.95Å
153	E	95.5	Very high	93.8	Very high	31 Å²	31	25.8 Å²	25.8	15%	0.145	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.8	173.3	-172	178.7	99.6	0	0	109	K129 V138 K219	K129-E153 HydrophobicContact CB-CB 4.38Å; K129-E153 WeakPolarHBondContact CB-O 3.41Å; K129-E153 PolarHBondContact O-N 3.26Å; V138-E153 HydrophobicContact CG1-CB 4.49Å; E153-K219 WeakPolarHBondContact OE1-CE 3.26Å; E153-K219 IonicContact OE1-NZ 3.89Å; E153-K219 PolarHBondContact OE1-NZ 3.44Å; E153-K219 WeakPolarHBondContact OE2-CE 3.06Å; E153-K219 IonicContact OE2-NZ 3.71Å; E153-K219 PolarHBondContact OE2-NZ 2.79Å
154	V	95.2	Very high	93.9	Very high	6 Å²	6	25.7 Å²	25.7	4%	0.036	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	140.1	173.2	-64.3	0	0	0	0	110.1	L209 V215 K219 C220	V154-L209 HydrophobicContact CG2-CD1 3.6Å; V154-V215 HydrophobicContact CB-CG2 3.99Å; V154-V215 HydrophobicContact CG2-CG2 4.03Å; V154-K219 WeakPolarHBondContact O-CA 3.32Å; V154-C220 WeakPolarHBondContact CG2-SG 3.13Å; V154-C220 PolarHBondContact N-O 2.97Å; V154-C220 PolarHBondContact O-N 2.8Å
155	A	94.3	Very high	94.1	Very high	19 Å²	19	20.7 Å²	20.7	16%	0.157	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	168.9	-179.4	0	0	0	0	0	111	G157 D158 V215 G218 K219	A155-G157 PolarHBondContact O-N 2.94Å; A155-D158 PolarHBondContact N-OD2 2.69Å; A155-D158 WeakPolarHBondContact O-CB 3.34Å; A155-D158 PolarHBondContact O-N 2.98Å; A155-V215 VanDerWaalsContact O-CB 3.29Å; A155-V215 WeakPolarHBondContact O-CB 3.4Å; A155-G218 CarbonylContact C-O 3.46Å; A155-G218 WeakPolarHBondContact CA-O 3.32Å; A155-K219 HydrophobicContact CB-CB 4.4Å; A155-K219 HydrophobicContact CB-CD 4.46Å; A155-K219 HydrophobicContact CB-CG 4.08Å
156	V	93.4	Very high	94.3	Very high	93 Å²	93	17.4 Å²	17.4	56%	0.564	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-46.9	131.1	177.1	63.5	0	0	0	0	112.3	D158 A216 G218	V156-D158 VanDerWaalsContact C-N 3.28Å; V156-D158 PolarHBondContact O-N 2.95Å; V156-A216 WeakPolarHBondContact CG2-O 3.33Å; V156-G218 PolarHBondContact N-O 2.91Å
157	G	88.1	Confident	94.3	Very high	63 Å²	63	18.5 Å²	18.5	65%	0.649	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.4	-15.8	-176.7	0	0	0	0	0	114.9	A155 V215	A155-G157 PolarHBondContact O-N 2.94Å; G157-V215 PolarHBondContact N-O 3.03Å
158	D	92	Very high	94.2	Very high	39 Å²	39	24.7 Å²	24.7	21%	0.209	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-71.3	141.5	175.3	-65	-28.5	0	0	0	110.6	K129 A155 V156 V215	K129-D158 IonicContact NZ-OD1 3.07Å; K129-D158 PolarHBondContact NZ-OD1 3.33Å; K129-D158 IonicContact NZ-OD2 2.71Å; K129-D158 PolarHBondContact NZ-OD2 3.49Å; A155-D158 PolarHBondContact N-OD2 2.69Å; A155-D158 WeakPolarHBondContact O-CB 3.34Å; A155-D158 PolarHBondContact O-N 2.98Å; V156-D158 VanDerWaalsContact C-N 3.28Å; V156-D158 PolarHBondContact O-N 2.95Å; D158-V215 PolarHBondContact O-N 3.11Å
159	R	91.5	Very high	94	Very high	95 Å²	95	26.6 Å²	26.6	36%	0.358	15%	0.149	S	C	.	.	B	Isolated β-bridge	trans	-81.5	134.4	162.2	-96.7	173.4	-176.1	179.4	-0.9	109.8	E122 P161 N214	E122-R159 PolarHBondContact O-NH1 3.03Å; R159-P161 WeakPolarHBondContact O-CD 3.44Å; R159-N214 WeakPolarHBondContact CG-OD1 3.23Å
160	V	95.4	Very high	93.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-71.1	119	178.2	-179.5	0	0	0	0	108.2	A162 I164 L209 F210 S211 G212 T213 V215	V160-A162 VanDerWaalsContact CG1-O 3.25Å; V160-A162 WeakPolarHBondContact CG1-O 3.26Å; V160-I164 HydrophobicContact CG1-CD1 3.83Å; V160-L209 HydrophobicContact CG1-CB 3.77Å; V160-L209 HydrophobicContact CG2-CB 4.25Å; V160-F210 VanDerWaalsContact CB-O 3.3Å; V160-F210 WeakPolarHBondContact CB-O 3.45Å; V160-F210 VanDerWaalsContact CG1-O 3.26Å; V160-F210 WeakPolarHBondContact CG1-O 3.32Å; V160-S211 WeakPolarHBondContact O-CA 3.25Å; V160-G212 PolarHBondContact O-N 3.25Å; V160-T213 WeakPolarHBondContact CB-O 3.46Å; V160-T213 WeakPolarHBondContact CG2-O 3.49Å; V160-T213 WeakPolarHBondContact CG2-OG1 3.49Å; V160-T213 PolarHBondContact N-O 2.91Å; V160-V215 HydrophobicContact CG2-CG2 4.37Å
161	P	94.5	Very high	93.5	Very high	8 Å²	8	32.2 Å²	32.2	5%	0.052	18%	0.182	C	C	.	.			trans	-85.5	-16.6	-167.1	33.8	-39.2	0	0	0	114.6	N40 S125 A128 A143 L146 R159 I164 S211	N40-P161 PolarHBondContact ND2-O 3.07Å; S125-P161 VanDerWaalsContact OG-CB 3.31Å; S125-P161 WeakPolarHBondContact OG-CB 3.33Å; A128-P161 HydrophobicContact CB-CB 3.93Å; A128-P161 HydrophobicContact CB-CG 3.93Å; A143-P161 HydrophobicContact CB-CB 4.16Å; L146-P161 HydrophobicContact CD1-CB 3.52Å; L146-P161 HydrophobicContact CD1-CG 3.53Å; R159-P161 WeakPolarHBondContact O-CD 3.44Å; P161-I164 HydrophobicContact CG-CD1 4.23Å; P161-S211 PolarHBondContact O-OG 3.28Å
162	A	95	Very high	92.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-158.5	171.6	-174.7	0	0	0	0	0	109.1	L146 V160 I164 V224 G226 T227	L146-A162 HydrophobicContact CD1-CB 4.24Å; V160-A162 VanDerWaalsContact CG1-O 3.25Å; V160-A162 WeakPolarHBondContact CG1-O 3.26Å; A162-I164 WeakPolarHBondContact O-CD1 3.39Å; A162-I164 WeakPolarHBondContact O-CG1 3.35Å; A162-I164 PolarHBondContact O-N 2.91Å; A162-V224 HydrophobicContact CB-CG1 3.81Å; A162-V224 HydrophobicContact CB-CG2 4.36Å; A162-G226 WeakPolarHBondContact CB-O 3.45Å; A162-T227 HydrophobicContact CB-CG2 4.38Å
163	D	95.5	Very high	92.4	Very high	8 Å²	8	35.2 Å²	35.2	4%	0.043	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	122.6	172.1	-76.8	7.4	0	0	0	109.4	L209 F210 S211 V225 G226 T231 E232	D163-L209 CarbonylContact C-O 3.56Å; D163-L209 WeakPolarHBondContact CA-O 3.45Å; D163-F210 WeakPolarHBondContact OD1-CA 3.49Å; D163-S211 PolarHBondContact OD1-N 2.99Å; D163-V225 HydrophobicContact CB-CG2 4.46Å; D163-V225 WeakPolarHBondContact O-CG2 3.36Å; D163-V225 PolarHBondContact O-N 3.31Å; D163-G226 PolarHBondContact N-O 3.16Å; D163-G226 PolarHBondContact O-N 3.13Å; D163-T231 HydrophobicContact CB-CG2 4.2Å; D163-T231 VanDerWaalsContact OD2-CA 3.25Å; D163-T231 WeakPolarHBondContact OD2-CA 3.35Å; D163-E232 PolarHBondContact OD2-N 2.71Å
164	I	95.8	Very high	92.1	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131.6	-165.7	-66.5	155	0	0	0	110.1	V152 V160 P161 A162 M208 L209 I223 V224	V152-I164 HydrophobicContact CB-CD1 4.39Å; V152-I164 HydrophobicContact CG2-CB 4.36Å; V152-I164 HydrophobicContact CG2-CD1 3.48Å; V152-I164 VanDerWaalsContact CG2-CD1 3.48Å; V152-I164 HydrophobicContact CG2-CG1 3.64Å; V152-I164 HydrophobicContact CG2-CG2 3.74Å; V160-I164 HydrophobicContact CG1-CD1 3.83Å; P161-I164 HydrophobicContact CG-CD1 4.23Å; A162-I164 WeakPolarHBondContact O-CD1 3.39Å; A162-I164 WeakPolarHBondContact O-CG1 3.35Å; A162-I164 PolarHBondContact O-N 2.91Å; I164-M208 CarbonylContact O-C 3.52Å; I164-M208 WeakPolarHBondContact O-CA 3.42Å; I164-L209 HydrophobicContact CB-CB 4.19Å; I164-L209 HydrophobicContact CG2-CD1 4.35Å; I164-L209 PolarHBondContact N-O 3.09Å; I164-L209 PolarHBondContact O-N 3.43Å; I164-I223 CarbonylContact C-O 3.58Å; I164-I223 VanDerWaalsContact CA-O 3.32Å; I164-I223 WeakPolarHBondContact CA-O 3.4Å; I164-V224 HydrophobicContact CG1-CG2 4.12Å
165	R	96	Very high	91.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	126.8	167.6	178.6	72.9	169.1	77.7	0.6	109.6	A5 C8 I13 V167 S192 N207 M208 G222 I223 V225	A5-R165 WeakPolarHBondContact O-CD 3.4Å; A5-R165 PolarHBondContact O-NE 3.04Å; A5-R165 VanDerWaalsContact O-NE 3.17Å; C8-R165 PolarHBondContact O-NH2 3.27Å; I13-R165 HydrophobicContact CD1-CB 4.25Å; I13-R165 HydrophobicContact CD1-CG 3.59Å; R165-V167 PolarHBondContact O-N 2.98Å; R165-S192 VanDerWaalsContact CZ-O 3.3Å; R165-S192 PolarHBondContact NH1-O 2.99Å; R165-S192 PolarHBondContact NH2-O 3.33Å; R165-N207 VanDerWaalsContact CZ-ND2 3.25Å; R165-N207 PolarHBondContact NE-ND2 3.07Å; R165-N207 PolarHBondContact NH2-ND2 3.42Å; R165-M208 HydrophobicContact CB-SD 4.05Å; R165-M208 HydrophobicContact CG-SD 4.48Å; R165-G222 CarbonylContact O-C 3.53Å; R165-G222 WeakPolarHBondContact O-CA 3.45Å; R165-I223 HydrophobicContact CB-CG2 3.84Å; R165-I223 HydrophobicContact CG-CG2 4.45Å; R165-I223 PolarHBondContact N-O 3.02Å; R165-I223 PolarHBondContact O-N 3.46Å; R165-V225 HydrophobicContact CB-CG1 3.95Å
166	I	95.9	Very high	91.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	124.2	179	-60.1	170.7	0	0	0	109.6	I169 L174 K190 N207 L209	I166-I169 HydrophobicContact CG2-CG1 3.84Å; I166-L174 HydrophobicContact CD1-CD2 3.87Å; I166-K190 HydrophobicContact CD1-CB 3.52Å; I166-K190 HydrophobicContact CD1-CD 4.33Å; I166-K190 HydrophobicContact CD1-CG 4.02Å; I166-N207 WeakPolarHBondContact CB-O 3.28Å; I166-N207 WeakPolarHBondContact CG1-O 3.28Å; I166-N207 PolarHBondContact N-O 2.69Å; I166-L209 HydrophobicContact CD1-CD2 3.86Å; I166-L209 HydrophobicContact CD1-CG 4.08Å; I166-L209 HydrophobicContact CG1-CD1 4.25Å; I166-L209 HydrophobicContact CG1-CD2 4.16Å; I166-L209 HydrophobicContact CG1-CG 3.82Å
167	V	93.9	Very high	91.5	Very high	22 Å²	22	32.1 Å²	32.1	13%	0.133	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-51.9	175.8	174.2	0	0	0	0	109.3	V10 T21 R165 V221 I223	V10-V167 HydrophobicContact CG1-CB 4.1Å; V10-V167 HydrophobicContact CG1-CG1 3.59Å; V10-V167 HydrophobicContact CG1-CG2 4Å; T21-V167 HydrophobicContact CG2-CB 4.48Å; T21-V167 HydrophobicContact CG2-CG1 3.39Å; R165-V167 PolarHBondContact O-N 2.98Å; V167-V221 PolarHBondContact N-O 3.28Å; V167-I223 HydrophobicContact CG2-CB 4.19Å; V167-I223 HydrophobicContact CG2-CG2 3.97Å
168	K	92.4	Very high	91.5	Very high	130 Å²	130	29.2 Å²	29.2	57%	0.565	15%	0.148	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-146.9	130.9	-175.6	-173	176.7	-179.7	179.6	0	110.8	L170 C220 V221	K168-L170 HydrophobicContact CD-CD2 4.06Å; K168-L170 HydrophobicContact CG-CD2 4.22Å; K168-C220 CarbonylContact O-C 3.53Å; K168-C220 WeakPolarHBondContact O-CA 3.2Å; K168-C220 WeakPolarHBondContact O-CB 3.18Å; K168-V221 PolarHBondContact N-O 3.49Å; K168-V221 PolarHBondContact O-N 3.15Å
169	I	91.4	Very high	90.9	Very high	41 Å²	41	29 Å²	29	21%	0.21	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	126.7	170	-54.7	177.7	0	0	0	107.5	I166 S171 L174 K190 C220	I166-I169 HydrophobicContact CG2-CG1 3.84Å; I169-S171 WeakPolarHBondContact CG2-O 3.19Å; I169-L174 HydrophobicContact CD1-CB 4.09Å; I169-L174 HydrophobicContact CG1-CB 4.43Å; I169-L174 HydrophobicContact CG2-CB 3.95Å; I169-K190 WeakPolarHBondContact CD1-O 3.41Å; I169-C220 HydrophobicContact CG1-CB 4.33Å
170	L	89.4	Confident	90.5	Very high	82 Å²	82	25 Å²	25	43%	0.429	14%	0.136	S	C	.	.			trans	-94.5	-26.6	-177.5	-62.4	-179.4	0	0	0	112.3	K168 K219 V221	K168-L170 HydrophobicContact CD-CD2 4.06Å; K168-L170 HydrophobicContact CG-CD2 4.22Å; L170-K219 HydrophobicContact CB-CB 4.43Å; L170-K219 HydrophobicContact CB-CG 4.39Å; L170-K219 HydrophobicContact CD1-CD 4.13Å; L170-K219 HydrophobicContact CD1-CG 4.19Å; L170-K219 PolarHBondContact N-O 3.07Å; L170-V221 HydrophobicContact CD1-CG2 3.9Å; L170-V221 HydrophobicContact CG-CG2 4.33Å
171	S	87.9	Confident	89.8	Confident	37 Å²	37	25.1 Å²	25.1	26%	0.259	14%	0.136	S	C	.	.	S	Bend	trans	-86.6	171.7	170.3	53.3	0	0	0	0	111.9	I169 T173 G218 K219	I169-S171 WeakPolarHBondContact CG2-O 3.19Å; S171-T173 WeakPolarHBondContact CB-O 3.45Å; S171-T173 PolarHBondContact OG-O 3.32Å; S171-G218 WeakPolarHBondContact OG-CA 3.44Å; S171-K219 PolarHBondContact N-O 3.22Å; S171-K219 PolarHBondContact OG-N 3.08Å; S171-K219 PolarHBondContact OG-O 3.3Å
172	T	82.3	Confident	88.9	Confident	50 Å²	50	25.2 Å²	25.2	31%	0.307	14%	0.136	S	C	.	.	S	Bend	trans	-61.9	-43.1	174.3	-55.6	0	0	0	0	112.5	E491 P583	T172-E491 WeakPolarHBondContact CB-OE1 3.28Å; T172-E491 WeakPolarHBondContact CB-OE2 3.21Å; T172-E491 HydrophobicContact CG2-CG 3.79Å; T172-E491 WeakPolarHBondContact CG2-OE1 3.37Å; T172-E491 PolarHBondContact OG1-OE1 3.36Å; T172-P583 HydrophobicContact CG2-CB 3.42Å; T172-P583 VanDerWaalsContact CG2-CB 3.42Å; T172-P583 HydrophobicContact CG2-CG 3.42Å; T172-P583 VanDerWaalsContact CG2-CG 3.42Å; T172-P583 VanDerWaalsContact OG1-CG 3.28Å; T172-P583 WeakPolarHBondContact OG1-CG 3.38Å
173	T	84.5	Confident	87.7	Confident	14 Å²	14	25.5 Å²	25.5	9%	0.086	14%	0.139	C	C	.	.			trans	-135.4	153.8	171.9	59.8	0	0	0	0	110.9	S171 G218 F492	S171-T173 WeakPolarHBondContact CB-O 3.45Å; S171-T173 PolarHBondContact OG-O 3.32Å; T173-G218 WeakPolarHBondContact O-CA 3.28Å; T173-F492 WeakPolarHBondContact CG2-O 3.23Å
174	L	90.2	Very high	86.6	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.15	C	C	.	.			trans	-114.8	122.3	167.9	-175.1	72.6	0	0	0	107.6	I166 I169 I176 S189 K190 L209 V215 C220	I166-L174 HydrophobicContact CD1-CD2 3.87Å; I169-L174 HydrophobicContact CD1-CB 4.09Å; I169-L174 HydrophobicContact CG1-CB 4.43Å; I169-L174 HydrophobicContact CG2-CB 3.95Å; L174-I176 HydrophobicContact CD1-CD1 4.14Å; L174-I176 HydrophobicContact CD2-CD1 4.13Å; L174-I176 HydrophobicContact CD2-CG1 4.38Å; L174-I176 HydrophobicContact CG-CD1 3.92Å; L174-I176 HydrophobicContact CG-CG1 4.25Å; L174-S189 WeakPolarHBondContact O-CA 3.43Å; L174-K190 HydrophobicContact CB-CB 4.3Å; L174-K190 HydrophobicContact CD2-CB 3.95Å; L174-K190 HydrophobicContact CD2-CG 4.27Å; L174-K190 HydrophobicContact CG-CB 4.39Å; L174-K190 PolarHBondContact O-N 2.9Å; L174-L209 HydrophobicContact CD2-CD2 4.01Å; L174-V215 HydrophobicContact CD1-CG1 3.87Å; L174-C220 HydrophobicContact CD1-CB 4.26Å; L174-C220 HydrophobicContact CD2-CB 3.85Å; L174-C220 WeakPolarHBondContact CD2-SG 3.29Å
175	L	89.9	Confident	85.4	Confident	36 Å²	36	29.1 Å²	29.1	19%	0.188	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.1	176.4	-64.4	178.3	0	0	0	108.4	A216 S217	L175-A216 HydrophobicContact CB-CB 4.28Å; L175-A216 PolarHBondContact O-N 3.14Å; L175-S217 PolarHBondContact N-O 3.26Å; L175-S217 PolarHBondContact O-N 3.49Å; L175-S217 VanDerWaalsContact O-N 3.12Å
176	I	91.8	Very high	84.5	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.4	-179	-55.4	-62.8	0	0	0	108.9	L174 Q178 S187 V188 K190 L209 N214 V215	L174-I176 HydrophobicContact CD1-CD1 4.14Å; L174-I176 HydrophobicContact CD2-CD1 4.13Å; L174-I176 HydrophobicContact CD2-CG1 4.38Å; L174-I176 HydrophobicContact CG-CD1 3.92Å; L174-I176 HydrophobicContact CG-CG1 4.25Å; I176-Q178 HydrophobicContact CB-CG 4.28Å; I176-Q178 HydrophobicContact CG2-CG 3.73Å; I176-Q178 PolarHBondContact O-N 2.87Å; I176-S187 CarbonylContact O-C 3.49Å; I176-S187 WeakPolarHBondContact O-CA 3.4Å; I176-V188 PolarHBondContact N-O 3.23Å; I176-V188 PolarHBondContact O-N 3.37Å; I176-K190 HydrophobicContact CB-CG 4.44Å; I176-K190 HydrophobicContact CG1-CG 3.66Å; I176-L209 HydrophobicContact CD1-CD2 3.58Å; I176-L209 HydrophobicContact CG1-CD2 3.5Å; I176-N214 WeakPolarHBondContact CA-O 3.28Å; I176-N214 WeakPolarHBondContact CG2-O 3.45Å; I176-V215 HydrophobicContact CD1-CB 4.14Å; I176-V215 HydrophobicContact CD1-CG1 4.08Å; I176-V215 HydrophobicContact CD1-CG2 3.81Å
177	D	88.1	Confident	84	Confident	48 Å²	48	31.8 Å²	31.8	26%	0.257	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	110.7	166.5	-179.5	0.1	0	0	0	108.8	S179 T213 N214	D177-S179 WeakPolarHBondContact OD1-CB 3.31Å; D177-S179 PolarHBondContact OD1-N 3.27Å; D177-S179 PolarHBondContact OD1-OG 2.83Å; D177-S179 PolarHBondContact OD2-OG 2.68Å; D177-T213 WeakPolarHBondContact O-CB 3.23Å; D177-N214 HydrophobicContact CB-CB 4.41Å; D177-N214 PolarHBondContact N-O 3.03Å; D177-N214 PolarHBondContact O-N 3.11Å
178	Q	87.7	Confident	83.6	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.009	18%	0.178	C	C	.	.			trans	-109.2	20.5	178.7	-53.4	-167.8	143.9	0	0	112.4	I176 I180 L181 T182 T213	I176-Q178 HydrophobicContact CB-CG 4.28Å; I176-Q178 HydrophobicContact CG2-CG 3.73Å; I176-Q178 PolarHBondContact O-N 2.87Å; Q178-I180 PolarHBondContact O-N 3.46Å; Q178-I180 VanDerWaalsContact O-N 3.15Å; Q178-L181 PolarHBondContact O-N 3.07Å; Q178-T182 HydrophobicContact CB-CG2 4.09Å; Q178-T182 PolarHBondContact O-N 2.99Å; Q178-T182 PolarHBondContact O-OG1 2.95Å; Q178-T213 HydrophobicContact CB-CG2 4.38Å; Q178-T213 HydrophobicContact CG-CG2 4.33Å
179	S	79.7	Confident	83.3	Confident	35 Å²	35	26.5 Å²	26.5	25%	0.245	16%	0.156	C	C	.	.	H	α-helix	trans	-53	-35.8	-178.3	51.7	0	0	0	0	112.6	D177 L181 G183 E184	D177-S179 WeakPolarHBondContact OD1-CB 3.31Å; D177-S179 PolarHBondContact OD1-N 3.27Å; D177-S179 PolarHBondContact OD1-OG 2.83Å; D177-S179 PolarHBondContact OD2-OG 2.68Å; S179-L181 VanDerWaalsContact C-N 3.31Å; S179-L181 PolarHBondContact O-N 3.48Å; S179-G183 VanDerWaalsContact O-CA 3.26Å; S179-G183 WeakPolarHBondContact O-CA 3.09Å; S179-G183 PolarHBondContact O-N 3.33Å; S179-E184 VanDerWaalsContact CA-O 3.28Å; S179-E184 WeakPolarHBondContact CA-O 3.44Å; S179-E184 WeakPolarHBondContact CB-O 3.22Å; S179-E184 PolarHBondContact N-O 3.02Å
180	I	82.6	Confident	83.3	Confident	12 Å²	12	24.9 Å²	24.9	6%	0.062	15%	0.147	C	C	.	.	H	α-helix	trans	-60	-36.4	178	57.4	147.2	0	0	0	113.8	Y123 Q178 G212 T213 I233 V707 N708	Y123-I180 HydrophobicContact CD1-CG2 4.09Å; Y123-I180 HydrophobicContact CE1-CG2 3.81Å; Q178-I180 PolarHBondContact O-N 3.46Å; Q178-I180 VanDerWaalsContact O-N 3.15Å; I180-G212 WeakPolarHBondContact CD1-O 3.44Å; I180-T213 HydrophobicContact CD1-CG2 3.96Å; I180-T213 HydrophobicContact CG1-CG2 3.92Å; I180-I233 HydrophobicContact CD1-CD1 4.49Å; I180-V707 HydrophobicContact CB-CB 4.34Å; I180-V707 HydrophobicContact CB-CG2 4.04Å; I180-V707 HydrophobicContact CG2-CG2 4.24Å; I180-V707 VanDerWaalsContact O-CB 3.3Å; I180-V707 WeakPolarHBondContact O-CB 3.46Å; I180-V707 PolarHBondContact O-N 3.38Å; I180-N708 PolarHBondContact O-N 3.08Å; I180-N708 PolarHBondContact O-OD1 3.14Å
181	L	80.9	Confident	83.3	Confident	2 Å²	2	23.3 Å²	23.3	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-100	-20.6	-176	-68.1	174.8	0	0	0	113	Q178 S179 F210 T213 E232 I236 N708	Q178-L181 PolarHBondContact O-N 3.07Å; S179-L181 VanDerWaalsContact C-N 3.31Å; S179-L181 PolarHBondContact O-N 3.48Å; L181-F210 HydrophobicContact CD1-CB 3.29Å; L181-F210 HydrophobicContact CD1-CD1 4.45Å; L181-F210 HydrophobicContact CD1-CD2 3.91Å; L181-F210 HydrophobicContact CD1-CG 3.66Å; L181-T213 HydrophobicContact CD1-CG2 4.02Å; L181-E232 HydrophobicContact CD1-CB 4.39Å; L181-I236 HydrophobicContact CD2-CD1 3.56Å; L181-N708 VanDerWaalsContact O-CB 3.26Å; L181-N708 WeakPolarHBondContact O-CB 3.49Å
182	T	76.7	Confident	83.5	Confident	9 Å²	9	23.5 Å²	23.5	6%	0.055	14%	0.139	C	C	.	.	H	α-helix	trans	-118.5	-16.7	-171.5	63.9	0	0	0	0	113.7	Q178 E184 Q203	Q178-T182 HydrophobicContact CB-CG2 4.09Å; Q178-T182 PolarHBondContact O-N 2.99Å; Q178-T182 PolarHBondContact O-OG1 2.95Å; T182-E184 PolarHBondContact O-N 3.42Å; T182-E184 PolarHBondContact OG1-N 2.78Å; T182-Q203 HydrophobicContact CG2-CG 3.85Å
183	G	69.3	Low	83.8	Confident	6 Å²	6	26 Å²	26	6%	0.062	15%	0.15	C	C	.	.	S	Bend	trans	73.1	-7.6	-169.3	0	0	0	0	0	114.2	S179	S179-G183 VanDerWaalsContact O-CA 3.26Å; S179-G183 WeakPolarHBondContact O-CA 3.09Å; S179-G183 PolarHBondContact O-N 3.33Å
184	E	73.3	Confident	84	Confident	58 Å²	58	28.3 Å²	28.3	27%	0.271	17%	0.165	S	C	.	.			trans	-89.6	121.4	-177.2	-65.3	-170.5	-173.5	0	0	111.3	S179 T182 V186	S179-E184 VanDerWaalsContact CA-O 3.28Å; S179-E184 WeakPolarHBondContact CA-O 3.44Å; S179-E184 WeakPolarHBondContact CB-O 3.22Å; S179-E184 PolarHBondContact N-O 3.02Å; T182-E184 PolarHBondContact O-N 3.42Å; T182-E184 PolarHBondContact OG1-N 2.78Å; E184-V186 VanDerWaalsContact C-N 3.25Å; E184-V186 PolarHBondContact O-N 3.05Å
185	S	70.6	Confident	83.9	Confident	27 Å²	27	29.1 Å²	29.1	19%	0.189	17%	0.17	C	C	.	.			trans	-85.8	10.3	-178.6	59.5	0	0	0	0	114.1	N360 K441	S185-N360 PolarHBondContact OG-OD1 3.3Å; S185-K441 PolarHBondContact O-NZ 3.24Å
186	V	75.5	Confident	83.4	Confident	34 Å²	34	33.4 Å²	33.4	21%	0.206	20%	0.203	C	C	.	.	S	Bend	trans	-98.3	129.3	175.7	178	0	0	0	0	108.7	E184 V188	E184-V186 VanDerWaalsContact C-N 3.25Å; E184-V186 PolarHBondContact O-N 3.05Å; V186-V188 PolarHBondContact O-N 2.85Å
187	S	85.1	Confident	82.5	Confident	22 Å²	22	37.7 Å²	37.7	15%	0.154	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-66.1	135.3	-177.7	-45.9	0	0	0	0	111.5	I176 A216 E444	I176-S187 CarbonylContact O-C 3.49Å; I176-S187 WeakPolarHBondContact O-CA 3.4Å; S187-A216 WeakPolarHBondContact OG-CB 3.1Å; S187-E444 WeakPolarHBondContact CB-OE1 3.41Å; S187-E444 PolarHBondContact OG-OE1 2.8Å
188	V	86.3	Confident	81.7	Confident	29 Å²	29	39.6 Å²	39.6	18%	0.176	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	124.3	-178.7	-175.5	0	0	0	0	109.4	I176 V186	I176-V188 PolarHBondContact N-O 3.23Å; I176-V188 PolarHBondContact O-N 3.37Å; V186-V188 PolarHBondContact O-N 2.85Å
189	S	87.2	Confident	81.1	Confident	13 Å²	13	50.2 Å²	50.2	9%	0.091	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	140.2	171.9	175.6	0	0	0	0	111.3	L174 R494	L174-S189 WeakPolarHBondContact O-CA 3.43Å; S189-R494 VanDerWaalsContact C-NH1 3.28Å; S189-R494 PolarHBondContact O-NH1 2.77Å; S189-R494 PolarHBondContact O-NH2 3.5Å; S189-R494 WeakPolarHBondContact OG-CD 3.26Å
190	K	91.1	Very high	81.1	Confident	6 Å²	6	49 Å²	49	3%	0.026	28%	0.277	C	S	.	.			trans	-114	161.5	-179.1	-63.1	-68	-178.1	165	0	113	I166 I169 L174 I176 K205 K206 M208 L209	I166-K190 HydrophobicContact CD1-CB 3.52Å; I166-K190 HydrophobicContact CD1-CD 4.33Å; I166-K190 HydrophobicContact CD1-CG 4.02Å; I169-K190 WeakPolarHBondContact CD1-O 3.41Å; L174-K190 HydrophobicContact CB-CB 4.3Å; L174-K190 HydrophobicContact CD2-CB 3.95Å; L174-K190 HydrophobicContact CD2-CG 4.27Å; L174-K190 HydrophobicContact CG-CB 4.39Å; L174-K190 PolarHBondContact O-N 2.9Å; I176-K190 HydrophobicContact CB-CG 4.44Å; I176-K190 HydrophobicContact CG1-CG 3.66Å; K190-K205 PolarHBondContact NZ-O 3.2Å; K190-K206 CarbonylContact C-O 3.53Å; K190-K206 WeakPolarHBondContact CA-O 3.48Å; K190-K206 WeakPolarHBondContact CB-O 3.45Å; K190-K206 WeakPolarHBondContact CD-O 3.48Å; K190-M208 VanDerWaalsContact CE-O 3.24Å; K190-M208 WeakPolarHBondContact CE-O 3.39Å; K190-M208 PolarHBondContact NZ-O 3.49Å; K190-L209 HydrophobicContact CG-CD2 4.24Å
191	H	89.5	Confident	81.1	Confident	49 Å²	49	49.9 Å²	49.9	23%	0.227	28%	0.283	C	S	.	.			trans	-145.4	168	176	62.4	75.9	0	0	0	111.2	D193 K206 N207 R494	H191-D193 PolarHBondContact CE1-O 2.93Å; H191-D193 PolarHBondContact ND1-N 3.36Å; H191-D193 PolarHBondContact ND1-O 3.41Å; H191-K206 PolarHBondContact N-O 2.65Å; H191-K206 WeakPolarHBondContact NE2-CB 3.35Å; H191-N207 WeakPolarHBondContact O-CA 3.26Å; H191-N207 WeakPolarHBondContact O-CB 3.31Å; H191-R494 PolarHBondContact CD2-NH1 3.22Å
192	S	90.7	Very high	81.2	Confident	42 Å²	42	50.1 Å²	50.1	29%	0.294	28%	0.284	S	S	.	.			trans	-92.6	-18.8	-179.5	48.6	0	0	0	0	114.2	R165	R165-S192 VanDerWaalsContact CZ-O 3.3Å; R165-S192 PolarHBondContact NH1-O 2.99Å; R165-S192 PolarHBondContact NH2-O 3.33Å
193	D	89.2	Confident	81.4	Confident	102 Å²	102	51.2 Å²	51.2	55%	0.545	29%	0.288	S	S	.	.	S	Bend	trans	-63.3	144.8	-173.4	-56.4	-37.5	0	0	0	113	H191 N207	H191-D193 PolarHBondContact CE1-O 2.93Å; H191-D193 PolarHBondContact ND1-N 3.36Å; H191-D193 PolarHBondContact ND1-O 3.41Å; D193-N207 WeakPolarHBondContact O-CB 3.32Å; D193-N207 PolarHBondContact O-ND2 2.93Å
194	P	89.6	Confident	82.1	Confident	62 Å²	62	53 Å²	53	40%	0.403	30%	0.297	S	S	.	.			trans	-63.5	148.9	175.2	27.4	-34.6	0	0	0	111.4	S7 T9	S7-P194 WeakPolarHBondContact O-CB 3.48Å; T9-P194 HydrophobicContact CG2-CG 4.37Å
195	I	87.9	Confident	82.8	Confident	18 Å²	18	51.3 Å²	51.3	9%	0.092	29%	0.288	C	S	.	.			trans	-105.1	115.2	-179.9	-64.6	166.3	0	0	0	108.4	Y6 S7 Q197 A200 D204 K206 N207	Y6-I195 HydrophobicContact CD2-CB 4.24Å; Y6-I195 HydrophobicContact CD2-CG2 4.47Å; Y6-I195 PolarHBondContact O-N 2.93Å; S7-I195 WeakPolarHBondContact CA-O 3.5Å; I195-Q197 VanDerWaalsContact C-N 3.29Å; I195-Q197 HydrophobicContact CG2-CB 4.27Å; I195-Q197 PolarHBondContact O-N 2.89Å; I195-A200 HydrophobicContact CG2-CB 4.2Å; I195-D204 VanDerWaalsContact CD1-O 3.25Å; I195-D204 WeakPolarHBondContact CD1-O 3.41Å; I195-K206 VanDerWaalsContact CD1-N 3.34Å; I195-N207 HydrophobicContact CD1-CB 4.35Å; I195-N207 WeakPolarHBondContact CD1-OD1 3.46Å
196	S	79.7	Confident	83.7	Confident	126 Å²	126	53.4 Å²	53.4	88%	0.881	29%	0.294	S	S	*	.			trans	-76.5	-11	-173.8	49.2	0	0	0	0	114.7	A198	S196-A198 PolarHBondContact O-N 2.57Å
197	Q	71.6	Confident	84.6	Confident	89 Å²	89	51.8 Å²	51.8	42%	0.416	28%	0.284	S	S	.	.			trans	-74.6	115.2	178.6	-78.9	177.8	-18.3	0	0	110.9	Y6 I195 A200	Y6-Q197 WeakPolarHBondContact CE2-O 3.41Å; I195-Q197 VanDerWaalsContact C-N 3.29Å; I195-Q197 HydrophobicContact CG2-CB 4.27Å; I195-Q197 PolarHBondContact O-N 2.89Å; Q197-A200 HydrophobicContact CB-CB 4.36Å; Q197-A200 PolarHBondContact O-N 3.03Å
198	A	70.6	Confident	85	Confident	88 Å²	88	51.3 Å²	51.3	73%	0.727	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	136.6	168.5	0	0	0	0	0	110.2	S196 A200	S196-A198 PolarHBondContact O-N 2.57Å; A198-A200 VanDerWaalsContact C-N 3.34Å; A198-A200 PolarHBondContact O-N 2.99Å
199	R	76.5	Confident	85.4	Confident	226 Å²	226	49.9 Å²	49.9	85%	0.853	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	44.2	-176.5	-58	-179.8	179.4	171.3	-1.2	113.3	Y6 V201	Y6-R199 WeakPolarHBondContact OH-CA 3.45Å; Y6-R199 PolarHBondContact OH-N 3.29Å; Y6-R199 VanDerWaalsContact OH-N 3.11Å; R199-V201 PolarHBondContact O-N 3.38Å
200	A	80	Confident	85.8	Confident	10 Å²	10	49.4 Å²	49.4	8%	0.083	27%	0.268	C	S	.	.			trans	-59.6	137.5	174.4	0	0	0	0	0	110.9	Y6 I195 Q197 A198 D204 K205	Y6-A200 HydrophobicContact CD2-CB 4.09Å; Y6-A200 HydrophobicContact CE2-CB 3.71Å; I195-A200 HydrophobicContact CG2-CB 4.2Å; Q197-A200 HydrophobicContact CB-CB 4.36Å; Q197-A200 PolarHBondContact O-N 3.03Å; A198-A200 VanDerWaalsContact C-N 3.34Å; A198-A200 PolarHBondContact O-N 2.99Å; A200-D204 HydrophobicContact CB-CB 4.4Å; A200-K205 HydrophobicContact CB-CG 4.21Å; A200-K205 WeakPolarHBondContact O-CE 3.47Å
201	V	80.9	Confident	85.9	Confident	30 Å²	30	49.5 Å²	49.5	18%	0.182	27%	0.269	C	S	.	.			trans	-68.7	156.5	172.7	-70.9	0	0	0	0	111.3	R199 Q203 D204 K205 E682	R199-V201 PolarHBondContact O-N 3.38Å; V201-Q203 PolarHBondContact O-N 3.04Å; V201-D204 HydrophobicContact CG2-CB 3.78Å; V201-D204 WeakPolarHBondContact CG2-OD2 3.44Å; V201-D204 WeakPolarHBondContact O-CA 3.47Å; V201-D204 PolarHBondContact O-N 2.64Å; V201-K205 WeakPolarHBondContact O-CG 3.4Å; V201-K205 PolarHBondContact O-N 2.72Å; V201-E682 VanDerWaalsContact C-OE1 3.24Å; V201-E682 WeakPolarHBondContact CA-OE1 3.42Å; V201-E682 HydrophobicContact CB-CG 4.29Å; V201-E682 WeakPolarHBondContact CB-OE1 3.34Å; V201-E682 HydrophobicContact CG1-CG 3.78Å; V201-E682 VanDerWaalsContact CG1-OE1 3.24Å; V201-E682 WeakPolarHBondContact CG1-OE1 3.47Å
202	N	84.1	Confident	85.9	Confident	6 Å²	6	47.2 Å²	47.2	3%	0.032	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-31.4	-178.5	-75.8	-23.2	0	0	0	112.4	D204 K205 F210 E232 E682	N202-D204 VanDerWaalsContact C-N 3.32Å; N202-D204 PolarHBondContact O-N 3.11Å; N202-K205 PolarHBondContact OD1-NZ 2.97Å; N202-F210 HydrophobicContact CB-CE2 4.44Å; N202-F210 HydrophobicContact CB-CZ 4.23Å; N202-E232 PolarHBondContact ND2-OE2 2.98Å; N202-E232 PolarHBondContact OD1-OE2 3.2Å; N202-E682 PolarHBondContact N-OE1 3.08Å
203	Q	80.9	Confident	86	Confident	32 Å²	32	45.2 Å²	45.2	15%	0.15	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-32.7	171.5	-64.3	88.4	-2	0	0	113	T182 V201	T182-Q203 HydrophobicContact CG2-CG 3.85Å; V201-Q203 PolarHBondContact O-N 3.04Å
204	D	83.2	Confident	86.1	Confident	44 Å²	44	43.1 Å²	43.1	24%	0.235	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-23.4	-176.8	-74.1	-23.6	0	0	0	112.4	I195 A200 V201 N202 K206	I195-D204 VanDerWaalsContact CD1-O 3.25Å; I195-D204 WeakPolarHBondContact CD1-O 3.41Å; A200-D204 HydrophobicContact CB-CB 4.4Å; V201-D204 HydrophobicContact CG2-CB 3.78Å; V201-D204 WeakPolarHBondContact CG2-OD2 3.44Å; V201-D204 WeakPolarHBondContact O-CA 3.47Å; V201-D204 PolarHBondContact O-N 2.64Å; N202-D204 VanDerWaalsContact C-N 3.32Å; N202-D204 PolarHBondContact O-N 3.11Å; D204-K206 PolarHBondContact O-N 3.28Å
205	K	89	Confident	86.3	Confident	22 Å²	22	40.3 Å²	40.3	10%	0.096	22%	0.215	C	C	.	.			trans	-65.1	61.6	172.8	-67.4	177	-165.8	165	0	113	Y6 K190 A200 V201 N202 N207 M208 F210 E232	Y6-K205 HydrophobicContact CD1-CD 4.06Å; Y6-K205 HydrophobicContact CD1-CG 4.27Å; Y6-K205 HydrophobicContact CD2-CG 4.41Å; Y6-K205 HydrophobicContact CG-CD 4.29Å; Y6-K205 HydrophobicContact CG-CG 4.01Å; K190-K205 PolarHBondContact NZ-O 3.2Å; A200-K205 HydrophobicContact CB-CG 4.21Å; A200-K205 WeakPolarHBondContact O-CE 3.47Å; V201-K205 WeakPolarHBondContact O-CG 3.4Å; V201-K205 PolarHBondContact O-N 2.72Å; N202-K205 PolarHBondContact OD1-NZ 2.97Å; K205-N207 PolarHBondContact O-N 3.36Å; K205-N207 VanDerWaalsContact O-N 3.14Å; K205-M208 HydrophobicContact CB-CB 4.24Å; K205-M208 HydrophobicContact CB-CG 4.1Å; K205-M208 PolarHBondContact O-N 3.3Å; K205-F210 HydrophobicContact CB-CZ 3.87Å; K205-F210 HydrophobicContact CD-CE1 4.21Å; K205-F210 HydrophobicContact CD-CZ 3.88Å; K205-E232 IonicContact NZ-OE1 3.77Å
206	K	89.6	Confident	86.3	Confident	71 Å²	71	41.5 Å²	41.5	31%	0.309	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-2.9	-177.7	-73.7	168.4	178.9	169.2	0	114.7	K190 H191 I195 D204	K190-K206 CarbonylContact C-O 3.53Å; K190-K206 WeakPolarHBondContact CA-O 3.48Å; K190-K206 WeakPolarHBondContact CB-O 3.45Å; K190-K206 WeakPolarHBondContact CD-O 3.48Å; H191-K206 PolarHBondContact N-O 2.65Å; H191-K206 WeakPolarHBondContact NE2-CB 3.35Å; I195-K206 VanDerWaalsContact CD1-N 3.34Å; D204-K206 PolarHBondContact O-N 3.28Å
207	N	93.5	Very high	86.8	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	5.8	177.2	68.8	-4.8	0	0	0	114.3	Y6 R165 I166 H191 D193 I195 K205	Y6-N207 WeakPolarHBondContact CB-OD1 3.49Å; Y6-N207 PolarHBondContact O-ND2 2.74Å; R165-N207 VanDerWaalsContact CZ-ND2 3.25Å; R165-N207 PolarHBondContact NE-ND2 3.07Å; R165-N207 PolarHBondContact NH2-ND2 3.42Å; I166-N207 WeakPolarHBondContact CB-O 3.28Å; I166-N207 WeakPolarHBondContact CG1-O 3.28Å; I166-N207 PolarHBondContact N-O 2.69Å; H191-N207 WeakPolarHBondContact O-CA 3.26Å; H191-N207 WeakPolarHBondContact O-CB 3.31Å; D193-N207 WeakPolarHBondContact O-CB 3.32Å; D193-N207 PolarHBondContact O-ND2 2.93Å; I195-N207 HydrophobicContact CD1-CB 4.35Å; I195-N207 WeakPolarHBondContact CD1-OD1 3.46Å; K205-N207 PolarHBondContact O-N 3.36Å; K205-N207 VanDerWaalsContact O-N 3.14Å
208	M	94.1	Very high	87.7	Confident	12 Å²	12	34.2 Å²	34.2	6%	0.059	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	150.8	176.2	-63.1	-66.9	-67.4	0	0	110.7	A5 I164 R165 K190 K205 F210 V225	A5-M208 HydrophobicContact CB-SD 4.34Å; I164-M208 CarbonylContact O-C 3.52Å; I164-M208 WeakPolarHBondContact O-CA 3.42Å; R165-M208 HydrophobicContact CB-SD 4.05Å; R165-M208 HydrophobicContact CG-SD 4.48Å; K190-M208 VanDerWaalsContact CE-O 3.24Å; K190-M208 WeakPolarHBondContact CE-O 3.39Å; K190-M208 PolarHBondContact NZ-O 3.49Å; K205-M208 HydrophobicContact CB-CB 4.24Å; K205-M208 HydrophobicContact CB-CG 4.1Å; K205-M208 PolarHBondContact O-N 3.3Å; M208-F210 HydrophobicContact CB-CE1 4.03Å; M208-F210 HydrophobicContact CB-CE2 4.39Å; M208-F210 HydrophobicContact CB-CZ 3.87Å; M208-V225 HydrophobicContact CE-CG2 3.48Å; M208-V225 VanDerWaalsContact CE-CG2 3.48Å
209	L	95.5	Very high	88.8	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	140.9	162.4	-51.3	176.1	0	0	0	107.2	V154 V160 D163 I164 I166 L174 I176 K190	V154-L209 HydrophobicContact CG2-CD1 3.6Å; V160-L209 HydrophobicContact CG1-CB 3.77Å; V160-L209 HydrophobicContact CG2-CB 4.25Å; D163-L209 CarbonylContact C-O 3.56Å; D163-L209 WeakPolarHBondContact CA-O 3.45Å; I164-L209 HydrophobicContact CB-CB 4.19Å; I164-L209 HydrophobicContact CG2-CD1 4.35Å; I164-L209 PolarHBondContact N-O 3.09Å; I164-L209 PolarHBondContact O-N 3.43Å; I166-L209 HydrophobicContact CD1-CD2 3.86Å; I166-L209 HydrophobicContact CD1-CG 4.08Å; I166-L209 HydrophobicContact CG1-CD1 4.25Å; I166-L209 HydrophobicContact CG1-CD2 4.16Å; I166-L209 HydrophobicContact CG1-CG 3.82Å; L174-L209 HydrophobicContact CD2-CD2 4.01Å; I176-L209 HydrophobicContact CD1-CD2 3.58Å; I176-L209 HydrophobicContact CG1-CD2 3.5Å; K190-L209 HydrophobicContact CG-CD2 4.24Å
210	F	94.6	Very high	89.7	Confident	2 Å²	2	22.9 Å²	22.9	1%	0.009	13%	0.129	C	C	.	.			trans	-112.9	143.1	-174.7	-57	-73.8	0	0	0	111	V160 D163 L181 N202 K205 M208 G212 T213 E232	V160-F210 VanDerWaalsContact CB-O 3.3Å; V160-F210 WeakPolarHBondContact CB-O 3.45Å; V160-F210 VanDerWaalsContact CG1-O 3.26Å; V160-F210 WeakPolarHBondContact CG1-O 3.32Å; D163-F210 WeakPolarHBondContact OD1-CA 3.49Å; L181-F210 HydrophobicContact CD1-CB 3.29Å; L181-F210 HydrophobicContact CD1-CD1 4.45Å; L181-F210 HydrophobicContact CD1-CD2 3.91Å; L181-F210 HydrophobicContact CD1-CG 3.66Å; N202-F210 HydrophobicContact CB-CE2 4.44Å; N202-F210 HydrophobicContact CB-CZ 4.23Å; K205-F210 HydrophobicContact CB-CZ 3.87Å; K205-F210 HydrophobicContact CD-CE1 4.21Å; K205-F210 HydrophobicContact CD-CZ 3.88Å; M208-F210 HydrophobicContact CB-CE1 4.03Å; M208-F210 HydrophobicContact CB-CE2 4.39Å; M208-F210 HydrophobicContact CB-CZ 3.87Å; F210-G212 PolarHBondContact O-N 3.14Å; F210-T213 HydrophobicContact CB-CG2 4.02Å; F210-T213 WeakPolarHBondContact O-CB 3.46Å; F210-T213 PolarHBondContact O-N 2.97Å; F210-T213 VanDerWaalsContact O-N 3.15Å; F210-T213 PolarHBondContact O-OG1 3.18Å; F210-E232 HydrophobicContact CD1-CB 4.17Å; F210-E232 HydrophobicContact CD1-CG 3.58Å; F210-E232 HydrophobicContact CE1-CG 3.73Å
211	S	93.6	Very high	90.4	Very high	8 Å²	8	23.5 Å²	23.5	6%	0.056	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	136.8	178.6	-169.2	0	0	0	0	111.7	V160 P161 D163 T213	V160-S211 WeakPolarHBondContact O-CA 3.25Å; P161-S211 PolarHBondContact O-OG 3.28Å; D163-S211 PolarHBondContact OD1-N 2.99Å; S211-T213 VanDerWaalsContact C-N 3.28Å; S211-T213 PolarHBondContact O-N 3.43Å
212	G	90	Very high	91.1	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.01	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	-10.8	-178.1	0	0	0	0	0	115.5	V160 I180 F210	V160-G212 PolarHBondContact O-N 3.25Å; I180-G212 WeakPolarHBondContact CD1-O 3.44Å; F210-G212 PolarHBondContact O-N 3.14Å
213	T	92.1	Very high	91.7	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	12%	0.123	C	C	.	.			trans	-74.6	161.4	173.6	62.6	0	0	0	0	111.5	V160 D177 Q178 I180 L181 F210 S211	V160-T213 WeakPolarHBondContact CB-O 3.46Å; V160-T213 WeakPolarHBondContact CG2-O 3.49Å; V160-T213 WeakPolarHBondContact CG2-OG1 3.49Å; V160-T213 PolarHBondContact N-O 2.91Å; D177-T213 WeakPolarHBondContact O-CB 3.23Å; Q178-T213 HydrophobicContact CB-CG2 4.38Å; Q178-T213 HydrophobicContact CG-CG2 4.33Å; I180-T213 HydrophobicContact CD1-CG2 3.96Å; I180-T213 HydrophobicContact CG1-CG2 3.92Å; L181-T213 HydrophobicContact CD1-CG2 4.02Å; F210-T213 HydrophobicContact CB-CG2 4.02Å; F210-T213 WeakPolarHBondContact O-CB 3.46Å; F210-T213 PolarHBondContact O-N 2.97Å; F210-T213 VanDerWaalsContact O-N 3.15Å; F210-T213 PolarHBondContact O-OG1 3.18Å; S211-T213 VanDerWaalsContact C-N 3.28Å; S211-T213 PolarHBondContact O-N 3.43Å
214	N	91.7	Very high	92.4	Very high	58 Å²	58	20.4 Å²	20.4	31%	0.31	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	142.1	-176.8	-68.2	13.3	0	0	0	111.4	R159 I176 D177 A216	R159-N214 WeakPolarHBondContact CG-OD1 3.23Å; I176-N214 WeakPolarHBondContact CA-O 3.28Å; I176-N214 WeakPolarHBondContact CG2-O 3.45Å; D177-N214 HydrophobicContact CB-CB 4.41Å; D177-N214 PolarHBondContact N-O 3.03Å; D177-N214 PolarHBondContact O-N 3.11Å; N214-A216 PolarHBondContact O-N 2.96Å
215	V	92.9	Very high	92.9	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.018	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	107	171.1	-172.9	0	0	0	0	109.4	V154 A155 G157 D158 V160 L174 I176	V154-V215 HydrophobicContact CB-CG2 3.99Å; V154-V215 HydrophobicContact CG2-CG2 4.03Å; A155-V215 VanDerWaalsContact O-CB 3.29Å; A155-V215 WeakPolarHBondContact O-CB 3.4Å; G157-V215 PolarHBondContact N-O 3.03Å; D158-V215 PolarHBondContact O-N 3.11Å; V160-V215 HydrophobicContact CG2-CG2 4.37Å; L174-V215 HydrophobicContact CD1-CG1 3.87Å; I176-V215 HydrophobicContact CD1-CB 4.14Å; I176-V215 HydrophobicContact CD1-CG1 4.08Å; I176-V215 HydrophobicContact CD1-CG2 3.81Å
216	A	88.6	Confident	93.1	Very high	42 Å²	42	17.8 Å²	17.8	35%	0.347	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-36.7	178.7	0	0	0	0	0	112.1	V156 L175 S187 N214	V156-A216 WeakPolarHBondContact CG2-O 3.33Å; L175-A216 HydrophobicContact CB-CB 4.28Å; L175-A216 PolarHBondContact O-N 3.14Å; S187-A216 WeakPolarHBondContact OG-CB 3.1Å; N214-A216 PolarHBondContact O-N 2.96Å
217	S	89.9	Confident	93.3	Very high	49 Å²	49	14.6 Å²	14.6	34%	0.343	9%	0.09	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	151.8	174.2	-174.5	0	0	0	0	111.6	L175	L175-S217 PolarHBondContact N-O 3.26Å; L175-S217 PolarHBondContact O-N 3.49Å; L175-S217 VanDerWaalsContact O-N 3.12Å
218	G	90.9	Very high	93.2	Very high	13 Å²	13	14.8 Å²	14.8	13%	0.134	9%	0.093	C	C	.	.			trans	95.4	-172.9	175.5	0	0	0	0	0	114.7	A155 V156 S171 T173	A155-G218 CarbonylContact C-O 3.46Å; A155-G218 WeakPolarHBondContact CA-O 3.32Å; V156-G218 PolarHBondContact N-O 2.91Å; S171-G218 WeakPolarHBondContact OG-CA 3.44Å; T173-G218 WeakPolarHBondContact O-CA 3.28Å
219	K	94.3	Very high	92.9	Very high	76 Å²	76	17 Å²	17	33%	0.33	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	136.4	-178.7	-174.5	177.5	-178.9	176	0	109.9	E153 V154 A155 L170 S171	E153-K219 WeakPolarHBondContact OE1-CE 3.26Å; E153-K219 IonicContact OE1-NZ 3.89Å; E153-K219 PolarHBondContact OE1-NZ 3.44Å; E153-K219 WeakPolarHBondContact OE2-CE 3.06Å; E153-K219 IonicContact OE2-NZ 3.71Å; E153-K219 PolarHBondContact OE2-NZ 2.79Å; V154-K219 WeakPolarHBondContact O-CA 3.32Å; A155-K219 HydrophobicContact CB-CB 4.4Å; A155-K219 HydrophobicContact CB-CD 4.46Å; A155-K219 HydrophobicContact CB-CG 4.08Å; L170-K219 HydrophobicContact CB-CB 4.43Å; L170-K219 HydrophobicContact CB-CG 4.39Å; L170-K219 HydrophobicContact CD1-CD 4.13Å; L170-K219 HydrophobicContact CD1-CG 4.19Å; L170-K219 PolarHBondContact N-O 3.07Å; S171-K219 PolarHBondContact N-O 3.22Å; S171-K219 PolarHBondContact OG-N 3.08Å; S171-K219 PolarHBondContact OG-O 3.3Å
220	C	94.8	Very high	92.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	162.4	175.4	71.6	0	0	0	0	113.3	V154 K168 I169 L174	V154-C220 WeakPolarHBondContact CG2-SG 3.13Å; V154-C220 PolarHBondContact N-O 2.97Å; V154-C220 PolarHBondContact O-N 2.8Å; K168-C220 CarbonylContact O-C 3.53Å; K168-C220 WeakPolarHBondContact O-CA 3.2Å; K168-C220 WeakPolarHBondContact O-CB 3.18Å; I169-C220 HydrophobicContact CG1-CB 4.33Å; L174-C220 HydrophobicContact CD1-CB 4.26Å; L174-C220 HydrophobicContact CD2-CB 3.85Å; L174-C220 WeakPolarHBondContact CD2-SG 3.29Å
221	V	95.1	Very high	92.6	Very high	24 Å²	24	19.7 Å²	19.7	15%	0.145	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136	169	179.4	0	0	0	0	108.4	I151 V152 V167 K168 L170	I151-V221 HydrophobicContact CG2-CG1 3.56Å; V152-V221 WeakPolarHBondContact O-CA 3.44Å; V167-V221 PolarHBondContact N-O 3.28Å; K168-V221 PolarHBondContact N-O 3.49Å; K168-V221 PolarHBondContact O-N 3.15Å; L170-V221 HydrophobicContact CD1-CG2 3.9Å; L170-V221 HydrophobicContact CG-CG2 4.33Å
222	G	95.2	Very high	92.4	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.01	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	170.9	179.1	0	0	0	0	0	112.6	I151 V152 R165	I151-G222 WeakPolarHBondContact CA-O 3.17Å; V152-G222 WeakPolarHBondContact CG2-O 3.4Å; V152-G222 PolarHBondContact N-O 2.86Å; V152-G222 PolarHBondContact O-N 3.02Å; R165-G222 CarbonylContact O-C 3.53Å; R165-G222 WeakPolarHBondContact O-CA 3.45Å
223	I	95.5	Very high	92.3	Very high	1 Å²	1	21 Å²	21	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.5	174.5	-177.5	162.3	0	0	0	109.8	I13 L14 Y17 T19 D150 I151 I164 R165 V167 V225	I13-I223 HydrophobicContact CG2-CD1 4.17Å; I13-I223 HydrophobicContact CG2-CG2 3.81Å; L14-I223 HydrophobicContact CD2-CD1 3.99Å; Y17-I223 HydrophobicContact CD2-CD1 4.06Å; T19-I223 HydrophobicContact CG2-CD1 3.42Å; T19-I223 VanDerWaalsContact CG2-CD1 3.42Å; D150-I223 WeakPolarHBondContact O-CA 3.5Å; I151-I223 HydrophobicContact CD1-CB 3.99Å; I151-I223 HydrophobicContact CD1-CD1 4.16Å; I151-I223 HydrophobicContact CD1-CG1 4.17Å; I164-I223 CarbonylContact C-O 3.58Å; I164-I223 VanDerWaalsContact CA-O 3.32Å; I164-I223 WeakPolarHBondContact CA-O 3.4Å; R165-I223 HydrophobicContact CB-CG2 3.84Å; R165-I223 HydrophobicContact CG-CG2 4.45Å; R165-I223 PolarHBondContact N-O 3.02Å; R165-I223 PolarHBondContact O-N 3.46Å; V167-I223 HydrophobicContact CG2-CB 4.19Å; V167-I223 HydrophobicContact CG2-CG2 3.97Å; I223-V225 HydrophobicContact CG2-CG1 4.45Å; I223-V225 PolarHBondContact O-N 3.47Å
224	V	95.8	Very high	92.1	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	128.2	177.1	-179.4	0	0	0	0	109.7	L146 G149 D150 V152 A162 I164 T227	L146-V224 HydrophobicContact CD2-CG2 4.18Å; G149-V224 PolarHBondContact N-O 3.32Å; D150-V224 HydrophobicContact CB-CG2 4.09Å; D150-V224 PolarHBondContact O-N 2.77Å; V152-V224 HydrophobicContact CG1-CG2 3.71Å; V152-V224 HydrophobicContact CG2-CG2 3.95Å; A162-V224 HydrophobicContact CB-CG1 3.81Å; A162-V224 HydrophobicContact CB-CG2 4.36Å; I164-V224 HydrophobicContact CG1-CG2 4.12Å; V224-T227 HydrophobicContact CG1-CG2 3.55Å
225	V	94.6	Very high	91.9	Very high	6 Å²	6	21.4 Å²	21.4	4%	0.036	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	-26.2	179.6	-65.5	0	0	0	0	112.9	A5 I13 Y17 D163 R165 M208 I223	A5-V225 HydrophobicContact CB-CB 4.02Å; A5-V225 HydrophobicContact CB-CG1 3.78Å; A5-V225 HydrophobicContact CB-CG2 4.06Å; I13-V225 HydrophobicContact CG2-CG1 4.18Å; Y17-V225 HydrophobicContact CE2-CG1 4.32Å; Y17-V225 PolarHBondContact OH-O 3.38Å; D163-V225 HydrophobicContact CB-CG2 4.46Å; D163-V225 WeakPolarHBondContact O-CG2 3.36Å; D163-V225 PolarHBondContact O-N 3.31Å; R165-V225 HydrophobicContact CB-CG1 3.95Å; M208-V225 HydrophobicContact CE-CG2 3.48Å; M208-V225 VanDerWaalsContact CE-CG2 3.48Å; I223-V225 HydrophobicContact CG2-CG1 4.45Å; I223-V225 PolarHBondContact O-N 3.47Å
226	G	93.1	Very high	91.4	Very high	5 Å²	5	21.6 Å²	21.6	5%	0.052	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.7	176.8	0	0	0	0	0	112.2	A162 D163 T231	A162-G226 WeakPolarHBondContact CB-O 3.45Å; D163-G226 PolarHBondContact N-O 3.16Å; D163-G226 PolarHBondContact O-N 3.13Å; G226-T231 WeakPolarHBondContact O-CG2 3.32Å
227	T	93.6	Very high	91.1	Very high	4 Å²	4	20.1 Å²	20.1	3%	0.025	11%	0.114	C	C	.	.			trans	-132.6	154.8	177.5	54.1	0	0	0	0	111.2	N40 P148 A162 V224 L229 S230	N40-T227 HydrophobicContact CB-CG2 4.04Å; N40-T227 VanDerWaalsContact OD1-CA 3.3Å; N40-T227 WeakPolarHBondContact OD1-CA 3.29Å; N40-T227 WeakPolarHBondContact OD1-CB 3.47Å; P148-T227 HydrophobicContact CG-CG2 4.15Å; A162-T227 HydrophobicContact CB-CG2 4.38Å; V224-T227 HydrophobicContact CG1-CG2 3.55Å; T227-L229 PolarHBondContact O-N 2.88Å; T227-S230 WeakPolarHBondContact O-CB 3.45Å; T227-S230 PolarHBondContact O-N 2.81Å; T227-S230 VanDerWaalsContact O-N 3.09Å
228	G	90.4	Very high	90.9	Very high	5 Å²	5	20.4 Å²	20.4	5%	0.052	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	53.2	-129.9	177	0	0	0	0	0	113	N40 S230 T231	N40-G228 PolarHBondContact OD1-N 3.48Å; G228-S230 PolarHBondContact O-N 3.44Å; G228-T231 PolarHBondContact O-N 2.87Å; G228-T231 PolarHBondContact O-OG1 2.97Å
229	L	89	Confident	90.3	Very high	59 Å²	59	23 Å²	23	31%	0.309	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	-61.8	-20.8	180	-65.6	177.9	0	0	0	114.3	L42 P43 T227 T231 G234 K235 D238	L42-L229 HydrophobicContact CD2-CD2 4.01Å; P43-L229 HydrophobicContact CG-CD1 4.17Å; P43-L229 HydrophobicContact CG-CD2 4.31Å; P43-L229 HydrophobicContact CG-CG 4.36Å; T227-L229 PolarHBondContact O-N 2.88Å; L229-T231 VanDerWaalsContact C-N 3.3Å; L229-T231 PolarHBondContact O-N 2.96Å; L229-G234 CarbonylContact O-C 3.51Å; L229-K235 PolarHBondContact O-N 3.17Å; L229-D238 VanDerWaalsContact CD2-OD1 3.31Å; L229-D238 WeakPolarHBondContact CD2-OD1 3.2Å
230	S	91.3	Very high	89.5	Confident	57 Å²	57	19.6 Å²	19.6	40%	0.399	11%	0.105	S	C	.	.	G	3₁₀ helix	trans	-81.2	-9.5	-179.7	-55.6	0	0	0	0	113.9	M1 T227 G228	M1-S230 VanDerWaalsContact CE-CB 3.44Å; M1-S230 WeakPolarHBondContact CE-OG 3.11Å; M1-S230 WeakPolarHBondContact SD-CB 3.24Å; T227-S230 WeakPolarHBondContact O-CB 3.45Å; T227-S230 PolarHBondContact O-N 2.81Å; T227-S230 VanDerWaalsContact O-N 3.09Å; G228-S230 PolarHBondContact O-N 3.44Å
231	T	91.9	Very high	88.7	Confident	1 Å²	1	22.1 Å²	22.1	1%	0.006	12%	0.118	C	C	.	.	S	Bend	trans	-72.1	161.5	173.1	60.6	0	0	0	0	111.5	D163 G226 G228 L229 I233 G234 K235	D163-T231 HydrophobicContact CB-CG2 4.2Å; D163-T231 VanDerWaalsContact OD2-CA 3.25Å; D163-T231 WeakPolarHBondContact OD2-CA 3.35Å; G226-T231 WeakPolarHBondContact O-CG2 3.32Å; G228-T231 PolarHBondContact O-N 2.87Å; G228-T231 PolarHBondContact O-OG1 2.97Å; L229-T231 VanDerWaalsContact C-N 3.3Å; L229-T231 PolarHBondContact O-N 2.96Å; T231-I233 VanDerWaalsContact C-N 3.28Å; T231-I233 PolarHBondContact O-N 2.85Å; T231-I233 WeakPolarHBondContact OG1-CG2 3.47Å; T231-G234 CarbonylContact O-C 3.46Å; T231-G234 WeakPolarHBondContact O-CA 3.37Å; T231-G234 PolarHBondContact O-N 3.17Å; T231-G234 PolarHBondContact OG1-N 3.47Å; T231-K235 WeakPolarHBondContact O-CG 3.39Å; T231-K235 PolarHBondContact O-N 3.42Å
232	E	88.9	Confident	87.8	Confident	29 Å²	29	28.4 Å²	28.4	14%	0.136	15%	0.145	C	C	.	.	H	α-helix	trans	-59.3	-37.7	174.5	-66.4	-61	127.8	0	0	112.4	D163 L181 N202 K205 F210 K235 I236	D163-E232 PolarHBondContact OD2-N 2.71Å; L181-E232 HydrophobicContact CD1-CB 4.39Å; N202-E232 PolarHBondContact ND2-OE2 2.98Å; N202-E232 PolarHBondContact OD1-OE2 3.2Å; K205-E232 IonicContact NZ-OE1 3.77Å; F210-E232 HydrophobicContact CD1-CB 4.17Å; F210-E232 HydrophobicContact CD1-CG 3.58Å; F210-E232 HydrophobicContact CE1-CG 3.73Å; E232-K235 PolarHBondContact O-N 3.3Å; E232-K235 IonicContact OE1-NZ 3.47Å; E232-K235 PolarHBondContact OE1-NZ 3.09Å; E232-I236 WeakPolarHBondContact O-CG1 3.41Å; E232-I236 PolarHBondContact O-N 3.11Å; E232-I236 VanDerWaalsContact O-N 3.15Å
233	I	87.8	Confident	86.7	Confident	7 Å²	7	29.2 Å²	29.2	4%	0.036	15%	0.15	C	C	.	.	H	α-helix	trans	-70.3	-33.7	173.5	-162.9	167.6	0	0	0	112.1	L120 I180 T231 I236 R237 V707	L120-I233 HydrophobicContact CD2-CD1 4.13Å; L120-I233 HydrophobicContact CD2-CG1 4.06Å; I180-I233 HydrophobicContact CD1-CD1 4.49Å; T231-I233 VanDerWaalsContact C-N 3.28Å; T231-I233 PolarHBondContact O-N 2.85Å; T231-I233 WeakPolarHBondContact OG1-CG2 3.47Å; I233-I236 WeakPolarHBondContact O-CB 3.39Å; I233-I236 PolarHBondContact O-N 3.48Å; I233-R237 PolarHBondContact O-N 3.36Å; I233-V707 HydrophobicContact CG1-CG1 4.46Å
234	G	88.2	Confident	85.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.2	-43.3	172.9	0	0	0	0	0	112.8	L229 T231 I236 R237 D238	L229-G234 CarbonylContact O-C 3.51Å; T231-G234 CarbonylContact O-C 3.46Å; T231-G234 WeakPolarHBondContact O-CA 3.37Å; T231-G234 PolarHBondContact O-N 3.17Å; T231-G234 PolarHBondContact OG1-N 3.47Å; G234-I236 PolarHBondContact O-N 3.38Å; G234-R237 WeakPolarHBondContact O-CB 3.43Å; G234-R237 PolarHBondContact O-N 2.92Å; G234-R237 VanDerWaalsContact O-N 3.16Å; G234-D238 PolarHBondContact O-N 3.43Å
235	K	87.1	Confident	84	Confident	68 Å²	68	43.2 Å²	43.2	30%	0.296	22%	0.215	S	C	.	.	H	α-helix	trans	-62.1	-41.9	174.1	-67.7	172	-169.9	172	0	111.9	L229 T231 E232 R237 D238 Q239	L229-K235 PolarHBondContact O-N 3.17Å; T231-K235 WeakPolarHBondContact O-CG 3.39Å; T231-K235 PolarHBondContact O-N 3.42Å; E232-K235 PolarHBondContact O-N 3.3Å; E232-K235 IonicContact OE1-NZ 3.47Å; E232-K235 PolarHBondContact OE1-NZ 3.09Å; K235-R237 VanDerWaalsContact C-N 3.28Å; K235-R237 PolarHBondContact O-N 3.05Å; K235-D238 PolarHBondContact O-N 3.35Å; K235-Q239 VanDerWaalsContact O-CG 3.32Å; K235-Q239 WeakPolarHBondContact O-CG 3.34Å; K235-Q239 PolarHBondContact O-N 3.49Å
236	I	83.1	Confident	82.7	Confident	7 Å²	7	48.5 Å²	48.5	4%	0.036	24%	0.244	C	C	.	.	H	α-helix	trans	-58.2	-45.3	173.8	-73.9	170.7	0	0	0	110	L181 E232 I233 G234 Q239 I240 P683 V707 P711	L181-I236 HydrophobicContact CD2-CD1 3.56Å; E232-I236 WeakPolarHBondContact O-CG1 3.41Å; E232-I236 PolarHBondContact O-N 3.11Å; E232-I236 VanDerWaalsContact O-N 3.15Å; I233-I236 WeakPolarHBondContact O-CB 3.39Å; I233-I236 PolarHBondContact O-N 3.48Å; G234-I236 PolarHBondContact O-N 3.38Å; I236-Q239 WeakPolarHBondContact O-CB 3.11Å; I236-Q239 PolarHBondContact O-N 3.17Å; I236-I240 HydrophobicContact CG2-CD1 3.85Å; I236-I240 VanDerWaalsContact O-CG1 3.29Å; I236-I240 WeakPolarHBondContact O-CG1 3.41Å; I236-I240 PolarHBondContact O-N 3Å; I236-P683 HydrophobicContact CD1-CG 4.48Å; I236-V707 HydrophobicContact CG2-CG1 4.17Å; I236-P711 HydrophobicContact CB-CG 4.4Å; I236-P711 HydrophobicContact CG2-CG 3.77Å
237	R	83	Confident	81.6	Confident	10 Å²	10	54.5 Å²	54.5	4%	0.038	27%	0.268	C	S	.	.	H	α-helix	trans	-65.8	-43.9	179.3	-176.8	-127.9	155.4	147.6	1.7	112.8	L42 P43 L120 I233 G234 K235 Q239 I240 M241	L42-R237 VanDerWaalsContact CA-NH1 3.32Å; L42-R237 VanDerWaalsContact CB-NH1 3.28Å; P43-R237 PolarHBondContact O-NH1 2.92Å; P43-R237 PolarHBondContact O-NH2 3.05Å; L120-R237 HydrophobicContact CD1-CB 4.28Å; L120-R237 HydrophobicContact CD1-CG 4.24Å; I233-R237 PolarHBondContact O-N 3.36Å; G234-R237 WeakPolarHBondContact O-CB 3.43Å; G234-R237 PolarHBondContact O-N 2.92Å; G234-R237 VanDerWaalsContact O-N 3.16Å; K235-R237 VanDerWaalsContact C-N 3.28Å; K235-R237 PolarHBondContact O-N 3.05Å; R237-Q239 VanDerWaalsContact C-N 3.27Å; R237-Q239 PolarHBondContact O-N 2.93Å; R237-I240 WeakPolarHBondContact O-CB 3.04Å; R237-I240 PolarHBondContact O-N 2.87Å; R237-I240 VanDerWaalsContact O-N 3.14Å; R237-M241 VanDerWaalsContact O-CG 3.31Å; R237-M241 WeakPolarHBondContact O-CG 3.5Å; R237-M241 PolarHBondContact O-N 3.3Å
238	D	84.3	Confident	80.8	Confident	55 Å²	55	55.7 Å²	55.7	29%	0.294	28%	0.275	S	S	.	.	H	α-helix	trans	-59.9	-39.4	174.7	-94.2	-1.4	0	0	0	111.5	L229 G234 K235 I240 M241 H242	L229-D238 VanDerWaalsContact CD2-OD1 3.31Å; L229-D238 WeakPolarHBondContact CD2-OD1 3.2Å; G234-D238 PolarHBondContact O-N 3.43Å; K235-D238 PolarHBondContact O-N 3.35Å; D238-I240 PolarHBondContact O-N 2.53Å; D238-M241 PolarHBondContact O-N 3.06Å; D238-H242 PolarHBondContact O-CD2 3.29Å; D238-H242 PolarHBondContact O-N 2.87Å
239	Q	79.8	Confident	80.1	Confident	69 Å²	69	55.9 Å²	55.9	32%	0.322	28%	0.276	S	S	.	.	H	α-helix	trans	-62.6	-42.1	174.1	-71.9	175.8	6.3	0	0	112.3	K235 I236 R237 M241 H242 T243 P711	K235-Q239 VanDerWaalsContact O-CG 3.32Å; K235-Q239 WeakPolarHBondContact O-CG 3.34Å; K235-Q239 PolarHBondContact O-N 3.49Å; I236-Q239 WeakPolarHBondContact O-CB 3.11Å; I236-Q239 PolarHBondContact O-N 3.17Å; R237-Q239 VanDerWaalsContact C-N 3.27Å; R237-Q239 PolarHBondContact O-N 2.93Å; Q239-M241 PolarHBondContact O-N 2.84Å; Q239-H242 PolarHBondContact O-N 3.41Å; Q239-T243 WeakPolarHBondContact O-CB 3.48Å; Q239-T243 PolarHBondContact O-N 3.39Å; Q239-T243 PolarHBondContact O-OG1 3.26Å; Q239-P711 HydrophobicContact CB-CB 4.16Å; Q239-P711 HydrophobicContact CB-CG 4.38Å
240	I	76.7	Confident	79.5	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.015	26%	0.262	C	S	.	.	H	α-helix	trans	-63.1	-31.5	175.9	-69.8	165.6	0	0	0	111.6	I117 L120 I236 R237 D238 A710 P711 K714	I117-I240 HydrophobicContact CD1-CG2 4.46Å; L120-I240 HydrophobicContact CD1-CD1 4.02Å; I236-I240 HydrophobicContact CG2-CD1 3.85Å; I236-I240 VanDerWaalsContact O-CG1 3.29Å; I236-I240 WeakPolarHBondContact O-CG1 3.41Å; I236-I240 PolarHBondContact O-N 3Å; R237-I240 WeakPolarHBondContact O-CB 3.04Å; R237-I240 PolarHBondContact O-N 2.87Å; R237-I240 VanDerWaalsContact O-N 3.14Å; D238-I240 PolarHBondContact O-N 2.53Å; I240-A710 HydrophobicContact CD1-CB 3.57Å; I240-A710 HydrophobicContact CG1-CB 4.35Å; I240-P711 HydrophobicContact CG1-CB 4.46Å; I240-P711 HydrophobicContact CG1-CG 4.14Å; I240-K714 HydrophobicContact CG2-CD 3.66Å; I240-K714 PolarHBondContact O-NZ 3.4Å
241	M	77.7	Confident	78.8	Confident	54 Å²	54	51.5 Å²	51.5	27%	0.266	25%	0.253	S	S	.	.	H	α-helix	trans	-78.5	-40.5	178.7	-67.1	-88.7	60.8	0	0	113.4	E45 I117 R237 D238 Q239 T243	E45-M241 HydrophobicContact CG-CE 4.1Å; E45-M241 HydrophobicContact CG-SD 4.16Å; E45-M241 VanDerWaalsContact OE1-CE 3.22Å; E45-M241 WeakPolarHBondContact OE1-CE 3.34Å; I117-M241 HydrophobicContact CD1-CE 3.08Å; I117-M241 HydrophobicContact CD1-CG 4.01Å; I117-M241 HydrophobicContact CD1-SD 3.3Å; I117-M241 WeakPolarHBondContact CD1-SD 3.49Å; R237-M241 VanDerWaalsContact O-CG 3.31Å; R237-M241 WeakPolarHBondContact O-CG 3.5Å; R237-M241 PolarHBondContact O-N 3.3Å; D238-M241 PolarHBondContact O-N 3.06Å; Q239-M241 PolarHBondContact O-N 2.84Å; M241-T243 VanDerWaalsContact C-N 3.29Å
242	H	76.7	Confident	78.2	Confident	155 Å²	155	56.2 Å²	56.2	72%	0.718	28%	0.275	S	S	*	.	H	α-helix	trans	-81.5	-8.4	179.2	-72.8	-58.9	0	0	0	114	D238 Q239 E244	D238-H242 PolarHBondContact O-CD2 3.29Å; D238-H242 PolarHBondContact O-N 2.87Å; Q239-H242 PolarHBondContact O-N 3.41Å; H242-E244 PolarHBondContact O-N 2.73Å
243	T	72.5	Confident	77.8	Confident	18 Å²	18	56.2 Å²	56.2	11%	0.11	27%	0.274	C	S	.	.			trans	-80.2	98.7	174.4	-59.8	0	0	0	0	109.2	Q239 M241 K715	Q239-T243 WeakPolarHBondContact O-CB 3.48Å; Q239-T243 PolarHBondContact O-N 3.39Å; Q239-T243 PolarHBondContact O-OG1 3.26Å; M241-T243 VanDerWaalsContact C-N 3.29Å; T243-K715 HydrophobicContact CG2-CB 3.64Å; T243-K715 HydrophobicContact CG2-CD 4.18Å; T243-K715 HydrophobicContact CG2-CG 3.83Å
244	E	68.8	Low	77.2	Confident	176 Å²	176	58.4 Å²	58.4	82%	0.822	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-67.2	130.9	167.1	-67.7	-175.6	169.3	0	0	109.2	H242	H242-E244 PolarHBondContact O-N 2.73Å
245	Q	65	Low	76.7	Confident	119 Å²	119	61 Å²	61	56%	0.556	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-81.3	120.1	171.3	-83	-177.7	-32.3	0	0	109	K714	Q245-K714 HydrophobicContact CG-CG 4.44Å
246	D	68.4	Low	76.4	Confident	118 Å²	118	62 Å²	62	63%	0.631	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-64.9	144.8	169.9	-76	-35.5	0	0	0	110.2
247	K	70.4	Confident	76.1	Confident	130 Å²	130	63.1 Å²	63.1	57%	0.565	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-59.8	142	172.9	-69.4	-168.7	-178.1	-169.9	0	109.8	Q252 D255	K247-Q252 HydrophobicContact CB-CG 3.87Å; K247-Q252 PolarHBondContact O-NE2 3.09Å; K247-D255 WeakPolarHBondContact CD-OD2 3.47Å; K247-D255 IonicContact NZ-OD1 2.85Å; K247-D255 IonicContact NZ-OD2 3.45Å; K247-D255 PolarHBondContact NZ-OD2 3.3Å
248	T	76	Confident	75.9	Confident	29 Å²	29	63 Å²	63	18%	0.178	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-58.8	155.5	178	64.8	0	0	0	0	112.1	L250 G251 Q252 P338 T342	T248-L250 VanDerWaalsContact C-N 3.26Å; T248-L250 PolarHBondContact O-N 3.12Å; T248-G251 WeakPolarHBondContact O-CA 3.36Å; T248-G251 PolarHBondContact O-N 2.82Å; T248-G251 PolarHBondContact OG1-N 3.33Å; T248-G251 VanDerWaalsContact OG1-N 3.14Å; T248-Q252 WeakPolarHBondContact O-CG 3.34Å; T248-Q252 PolarHBondContact O-N 2.83Å; T248-P338 HydrophobicContact CG2-CB 3.65Å; T248-T342 WeakPolarHBondContact CB-OG1 3.45Å; T248-T342 WeakPolarHBondContact CG2-OG1 3.39Å
249	P	76	Confident	75.7	Confident	9 Å²	9	63.3 Å²	63.3	6%	0.058	32%	0.315	C	S	.	.	H	α-helix	trans	-53.5	-41.9	177.4	-27.5	35.9	0	0	0	113	K253 T342 I699	P249-K253 WeakPolarHBondContact O-CB 3.41Å; P249-K253 WeakPolarHBondContact O-CG 3.48Å; P249-K253 PolarHBondContact O-N 3.33Å; P249-K253 VanDerWaalsContact O-N 3.09Å; P249-T342 HydrophobicContact CG-CG2 4.47Å; P249-I699 HydrophobicContact CG-CD1 3.89Å
250	L	75.4	Confident	75.7	Confident	5 Å²	5	65.1 Å²	65.1	3%	0.026	32%	0.324	C	S	.	.	H	α-helix	trans	-63.9	-45.5	172.8	-179.9	66.7	0	0	0	112.3	T248 Q252 K253 I254 I316 E341 M759	T248-L250 VanDerWaalsContact C-N 3.26Å; T248-L250 PolarHBondContact O-N 3.12Å; L250-Q252 VanDerWaalsContact C-N 3.32Å; L250-Q252 PolarHBondContact O-N 3.15Å; L250-K253 CarbonylContact O-C 3.21Å; L250-K253 PolarHBondContact O-N 3.46Å; L250-I254 HydrophobicContact CD1-CD1 4.08Å; L250-I254 HydrophobicContact CD1-CG1 4.16Å; L250-I254 HydrophobicContact CD2-CD1 4.27Å; L250-I254 HydrophobicContact CG-CD1 3.76Å; L250-I254 HydrophobicContact CG-CG1 4.25Å; L250-I254 WeakPolarHBondContact O-CG1 3.38Å; L250-I254 PolarHBondContact O-N 3.23Å; L250-I316 HydrophobicContact CD2-CG2 4.43Å; L250-E341 HydrophobicContact CB-CB 4.43Å; L250-E341 VanDerWaalsContact CB-CD 3.47Å; L250-E341 HydrophobicContact CB-CG 3.84Å; L250-E341 VanDerWaalsContact CB-OE2 3.25Å; L250-E341 WeakPolarHBondContact CB-OE2 3.38Å; L250-E341 HydrophobicContact CD2-CB 4.29Å; L250-E341 HydrophobicContact CD2-CG 4.11Å; L250-E341 HydrophobicContact CG-CG 4.48Å; L250-E341 PolarHBondContact N-OE2 3.01Å; L250-M759 HydrophobicContact CD2-CE 3.83Å; L250-M759 HydrophobicContact CD2-SD 3.79Å
251	G	76.3	Confident	75.8	Confident	19 Å²	19	66.4 Å²	66.4	20%	0.196	33%	0.331	C	S	.	.	H	α-helix	trans	-56.8	-46.7	178.6	0	0	0	0	0	111.9	T248 K253 I254 D255	T248-G251 WeakPolarHBondContact O-CA 3.36Å; T248-G251 PolarHBondContact O-N 2.82Å; T248-G251 PolarHBondContact OG1-N 3.33Å; T248-G251 VanDerWaalsContact OG1-N 3.14Å; G251-K253 VanDerWaalsContact C-N 3.3Å; G251-K253 PolarHBondContact O-N 3.46Å; G251-I254 PolarHBondContact O-N 3.33Å; G251-D255 PolarHBondContact O-N 3.29Å
252	Q	81.1	Confident	75.8	Confident	101 Å²	101	64.2 Å²	64.2	47%	0.472	32%	0.32	S	S	.	.	H	α-helix	trans	-60.6	-39.2	174.9	-64.7	179.6	12.9	0	0	112.3	K247 T248 L250 D255 E256	K247-Q252 HydrophobicContact CB-CG 3.87Å; K247-Q252 PolarHBondContact O-NE2 3.09Å; T248-Q252 WeakPolarHBondContact O-CG 3.34Å; T248-Q252 PolarHBondContact O-N 2.83Å; L250-Q252 VanDerWaalsContact C-N 3.32Å; L250-Q252 PolarHBondContact O-N 3.15Å; Q252-D255 PolarHBondContact O-N 2.98Å; Q252-E256 VanDerWaalsContact O-CB 3.31Å; Q252-E256 WeakPolarHBondContact O-CB 3.39Å; Q252-E256 PolarHBondContact O-N 2.92Å
253	K	78.9	Confident	76.2	Confident	29 Å²	29	63.5 Å²	63.5	13%	0.126	32%	0.315	C	S	.	.	H	α-helix	trans	-72.6	-32.4	179.6	-69.9	-71.1	160.7	-159.3	0	112.9	P249 L250 G251 E256 F257 L830	P249-K253 WeakPolarHBondContact O-CB 3.41Å; P249-K253 WeakPolarHBondContact O-CG 3.48Å; P249-K253 PolarHBondContact O-N 3.33Å; P249-K253 VanDerWaalsContact O-N 3.09Å; L250-K253 CarbonylContact O-C 3.21Å; L250-K253 PolarHBondContact O-N 3.46Å; G251-K253 VanDerWaalsContact C-N 3.3Å; G251-K253 PolarHBondContact O-N 3.46Å; K253-E256 IonicContact NZ-OE2 2.69Å; K253-E256 PolarHBondContact NZ-OE2 2.79Å; K253-F257 WeakPolarHBondContact O-CB 3.37Å; K253-F257 PolarHBondContact O-N 3Å; K253-L830 HydrophobicContact CB-CD1 4.03Å; K253-L830 HydrophobicContact CB-CG 4.39Å
254	I	76.3	Confident	76.6	Confident	52 Å²	52	66.3 Å²	66.3	27%	0.267	33%	0.332	S	S	.	.	H	α-helix	trans	-67.6	-44.9	172.7	-68	169.2	0	0	0	109.8	L250 G251 F257 G258 I316	L250-I254 HydrophobicContact CD1-CD1 4.08Å; L250-I254 HydrophobicContact CD1-CG1 4.16Å; L250-I254 HydrophobicContact CD2-CD1 4.27Å; L250-I254 HydrophobicContact CG-CD1 3.76Å; L250-I254 HydrophobicContact CG-CG1 4.25Å; L250-I254 WeakPolarHBondContact O-CG1 3.38Å; L250-I254 PolarHBondContact O-N 3.23Å; G251-I254 PolarHBondContact O-N 3.33Å; I254-F257 PolarHBondContact O-N 2.8Å; I254-G258 PolarHBondContact O-N 2.96Å; I254-I316 HydrophobicContact CD1-CD1 3.65Å; I254-I316 HydrophobicContact CG1-CD1 4.46Å
255	D	76.9	Confident	77	Confident	55 Å²	55	58.2 Å²	58.2	29%	0.294	29%	0.294	S	S	.	.	H	α-helix	trans	-62.3	-44.6	176.4	-68.4	-7.8	0	0	0	111.6	K247 G251 Q252 G258 T259	K247-D255 WeakPolarHBondContact CD-OD2 3.47Å; K247-D255 IonicContact NZ-OD1 2.85Å; K247-D255 IonicContact NZ-OD2 3.45Å; K247-D255 PolarHBondContact NZ-OD2 3.3Å; G251-D255 PolarHBondContact O-N 3.29Å; Q252-D255 PolarHBondContact O-N 2.98Å; D255-G258 PolarHBondContact O-N 3.44Å; D255-T259 WeakPolarHBondContact O-CB 3.46Å; D255-T259 PolarHBondContact O-N 3.3Å; D255-T259 PolarHBondContact O-OG1 3.44Å
256	E	81.6	Confident	77.8	Confident	88 Å²	88	55.7 Å²	55.7	41%	0.411	29%	0.287	S	S	.	.	H	α-helix	trans	-62	-45.4	176.4	-173.8	-179.9	-174.6	0	0	110.7	Q252 K253 T259 Q260	Q252-E256 VanDerWaalsContact O-CB 3.31Å; Q252-E256 WeakPolarHBondContact O-CB 3.39Å; Q252-E256 PolarHBondContact O-N 2.92Å; K253-E256 IonicContact NZ-OE2 2.69Å; K253-E256 PolarHBondContact NZ-OE2 2.79Å; E256-T259 PolarHBondContact O-N 3.18Å; E256-Q260 WeakPolarHBondContact O-CG 3.2Å; E256-Q260 PolarHBondContact O-N 3.18Å
257	F	77.1	Confident	78.6	Confident	32 Å²	32	57.2 Å²	57.2	14%	0.14	29%	0.288	C	S	.	.	H	α-helix	trans	-60.9	-47.5	175.9	172.4	-103.1	0	0	0	111.5	K253 I254 T259 Q260 L261 P309 I767	K253-F257 WeakPolarHBondContact O-CB 3.37Å; K253-F257 PolarHBondContact O-N 3Å; I254-F257 PolarHBondContact O-N 2.8Å; F257-T259 VanDerWaalsContact C-N 3.29Å; F257-T259 PolarHBondContact O-N 3.32Å; F257-Q260 PolarHBondContact O-N 2.94Å; F257-Q260 VanDerWaalsContact O-N 3.16Å; F257-L261 HydrophobicContact CE1-CD2 3.99Å; F257-L261 HydrophobicContact CZ-CB 4.44Å; F257-L261 HydrophobicContact CZ-CD2 4.02Å; F257-L261 WeakPolarHBondContact O-CB 3.39Å; F257-L261 PolarHBondContact O-N 3.49Å; F257-P309 HydrophobicContact CE1-CG 4.31Å; F257-I767 HydrophobicContact CD2-CD1 4.29Å; F257-I767 HydrophobicContact CE1-CD1 4.07Å; F257-I767 HydrophobicContact CE1-CG1 4.44Å; F257-I767 HydrophobicContact CE2-CD1 3.41Å; F257-I767 VanDerWaalsContact CE2-CD1 3.41Å; F257-I767 HydrophobicContact CE2-CG1 4.18Å; F257-I767 HydrophobicContact CZ-CD1 3.28Å; F257-I767 HydrophobicContact CZ-CG1 3.65Å
258	G	77.5	Confident	79	Confident	6 Å²	6	52.7 Å²	52.7	6%	0.062	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-38.1	178.4	0	0	0	0	0	112.4	I254 D255 S262	I254-G258 PolarHBondContact O-N 2.96Å; D255-G258 PolarHBondContact O-N 3.44Å; G258-S262 VanDerWaalsContact O-CB 3.28Å; G258-S262 WeakPolarHBondContact O-CB 3.31Å; G258-S262 PolarHBondContact O-N 3.13Å
259	T	80.7	Confident	79.1	Confident	62 Å²	62	52.5 Å²	52.5	38%	0.38	27%	0.27	S	S	.	.	H	α-helix	trans	-66	-42.1	174.2	-55.5	0	0	0	0	112.1	D255 E256 F257 K263	D255-T259 WeakPolarHBondContact O-CB 3.46Å; D255-T259 PolarHBondContact O-N 3.3Å; D255-T259 PolarHBondContact O-OG1 3.44Å; E256-T259 PolarHBondContact O-N 3.18Å; F257-T259 VanDerWaalsContact C-N 3.29Å; F257-T259 PolarHBondContact O-N 3.32Å; T259-K263 WeakPolarHBondContact O-CG 3.15Å; T259-K263 PolarHBondContact O-N 2.91Å
260	Q	80.7	Confident	79.5	Confident	108 Å²	108	56.7 Å²	56.7	51%	0.505	29%	0.291	S	S	.	.	H	α-helix	trans	-65.7	-46.2	176.3	-74.7	-177	5.1	0	0	111.5	E256 F257 S262 K263 V264	E256-Q260 WeakPolarHBondContact O-CG 3.2Å; E256-Q260 PolarHBondContact O-N 3.18Å; F257-Q260 PolarHBondContact O-N 2.94Å; F257-Q260 VanDerWaalsContact O-N 3.16Å; Q260-S262 PolarHBondContact O-N 3.2Å; Q260-K263 WeakPolarHBondContact O-CB 3.34Å; Q260-K263 PolarHBondContact O-N 3.29Å; Q260-V264 WeakPolarHBondContact O-CG2 3.41Å; Q260-V264 PolarHBondContact O-N 3.35Å
261	L	77.5	Confident	79.7	Confident	30 Å²	30	57.7 Å²	57.7	16%	0.157	30%	0.3	C	S	.	.	H	α-helix	trans	-60.1	-46.1	178.5	-175.2	64.2	0	0	0	111	F257 K263 V264 I265 A307 P309	F257-L261 HydrophobicContact CE1-CD2 3.99Å; F257-L261 HydrophobicContact CZ-CB 4.44Å; F257-L261 HydrophobicContact CZ-CD2 4.02Å; F257-L261 WeakPolarHBondContact O-CB 3.39Å; F257-L261 PolarHBondContact O-N 3.49Å; L261-K263 VanDerWaalsContact C-N 3.29Å; L261-K263 PolarHBondContact O-N 2.89Å; L261-V264 WeakPolarHBondContact O-CB 3.47Å; L261-V264 PolarHBondContact O-N 3.21Å; L261-I265 HydrophobicContact CD1-CD1 4.49Å; L261-I265 HydrophobicContact CG-CD1 3.96Å; L261-I265 HydrophobicContact CG-CG1 4.44Å; L261-I265 VanDerWaalsContact O-CG1 3.29Å; L261-I265 WeakPolarHBondContact O-CG1 3.42Å; L261-I265 PolarHBondContact O-N 2.68Å; L261-A307 WeakPolarHBondContact CD2-O 3.48Å; L261-P309 HydrophobicContact CD2-CG 4.4Å
262	S	78.8	Confident	79.7	Confident	7 Å²	7	57.1 Å²	57.1	5%	0.049	29%	0.292	C	S	.	.	H	α-helix	trans	-56.1	-40.6	175.5	175.9	0	0	0	0	113	L61 I65 G258 Q260 I265 T266	L61-S262 VanDerWaalsContact CD2-OG 3.25Å; L61-S262 WeakPolarHBondContact CD2-OG 2.98Å; I65-S262 WeakPolarHBondContact CD1-OG 3.28Å; G258-S262 VanDerWaalsContact O-CB 3.28Å; G258-S262 WeakPolarHBondContact O-CB 3.31Å; G258-S262 PolarHBondContact O-N 3.13Å; Q260-S262 PolarHBondContact O-N 3.2Å; S262-I265 PolarHBondContact O-N 2.93Å; S262-T266 WeakPolarHBondContact O-CB 3.42Å; S262-T266 PolarHBondContact O-N 2.77Å; S262-T266 PolarHBondContact O-OG1 3.04Å
263	K	84	Confident	79.5	Confident	141 Å²	141	57.3 Å²	57.3	61%	0.613	29%	0.289	S	S	*	.	H	α-helix	trans	-65.3	-42.4	175	-71.3	172.1	-177.6	175	0	112	T259 Q260 L261 T266 F267	T259-K263 WeakPolarHBondContact O-CG 3.15Å; T259-K263 PolarHBondContact O-N 2.91Å; Q260-K263 WeakPolarHBondContact O-CB 3.34Å; Q260-K263 PolarHBondContact O-N 3.29Å; L261-K263 VanDerWaalsContact C-N 3.29Å; L261-K263 PolarHBondContact O-N 2.89Å; K263-T266 PolarHBondContact O-N 3.08Å; K263-F267 WeakPolarHBondContact O-CB 3.44Å; K263-F267 PolarHBondContact O-N 3.37Å
264	V	80.2	Confident	79.7	Confident	77 Å²	77	59.2 Å²	59.2	47%	0.467	31%	0.305	S	S	.	.	H	α-helix	trans	-63.4	-46.6	177.2	173.6	0	0	0	0	110.4	Q260 L261 T266 F267 I268	Q260-V264 WeakPolarHBondContact O-CG2 3.41Å; Q260-V264 PolarHBondContact O-N 3.35Å; L261-V264 WeakPolarHBondContact O-CB 3.47Å; L261-V264 PolarHBondContact O-N 3.21Å; V264-T266 PolarHBondContact O-N 2.59Å; V264-F267 PolarHBondContact O-N 2.88Å; V264-I268 HydrophobicContact CG1-CD1 3.74Å; V264-I268 HydrophobicContact CG1-CG1 4.35Å; V264-I268 WeakPolarHBondContact O-CG1 3.45Å; V264-I268 PolarHBondContact O-N 2.94Å
265	I	78.2	Confident	79.8	Confident	5 Å²	5	61 Å²	61	3%	0.026	31%	0.314	C	S	.	.	H	α-helix	trans	-56.9	-51.7	176.2	-66.5	170.1	0	0	0	110.2	L261 S262 F267 I268 C269 A304 A307 I308	L261-I265 HydrophobicContact CD1-CD1 4.49Å; L261-I265 HydrophobicContact CG-CD1 3.96Å; L261-I265 HydrophobicContact CG-CG1 4.44Å; L261-I265 VanDerWaalsContact O-CG1 3.29Å; L261-I265 WeakPolarHBondContact O-CG1 3.42Å; L261-I265 PolarHBondContact O-N 2.68Å; S262-I265 PolarHBondContact O-N 2.93Å; I265-F267 VanDerWaalsContact C-N 3.28Å; I265-F267 PolarHBondContact O-N 3.12Å; I265-I268 PolarHBondContact O-N 3.02Å; I265-C269 WeakPolarHBondContact O-CB 3.32Å; I265-C269 PolarHBondContact O-N 2.96Å; I265-C269 PolarHBondContact O-SG 3.15Å; I265-C269 VanDerWaalsContact O-SG 3.34Å; I265-A304 HydrophobicContact CG2-CB 4.14Å; I265-A307 HydrophobicContact CD1-CB 3.49Å; I265-A307 VanDerWaalsContact CD1-CB 3.49Å; I265-A307 HydrophobicContact CG1-CB 3.38Å; I265-I308 HydrophobicContact CD1-CG1 3.81Å
266	T	81.7	Confident	79.6	Confident	67 Å²	67	58.7 Å²	58.7	41%	0.411	30%	0.302	S	S	.	.	H	α-helix	trans	-57.5	-43.6	179.8	-55.9	0	0	0	0	111.2	S262 K263 V264 I270	S262-T266 WeakPolarHBondContact O-CB 3.42Å; S262-T266 PolarHBondContact O-N 2.77Å; S262-T266 PolarHBondContact O-OG1 3.04Å; K263-T266 PolarHBondContact O-N 3.08Å; V264-T266 PolarHBondContact O-N 2.59Å; T266-I270 HydrophobicContact CG2-CD1 4.04Å; T266-I270 VanDerWaalsContact O-CG1 3.28Å; T266-I270 WeakPolarHBondContact O-CG1 3.44Å; T266-I270 PolarHBondContact O-N 3.34Å
267	F	85.7	Confident	79.4	Confident	149 Å²	149	58.1 Å²	58.1	65%	0.654	30%	0.301	S	S	*	.	H	α-helix	trans	-62.8	-46.2	177.1	176.4	-97.3	0	0	0	112.4	K263 V264 I265 I270 A271	K263-F267 WeakPolarHBondContact O-CB 3.44Å; K263-F267 PolarHBondContact O-N 3.37Å; V264-F267 PolarHBondContact O-N 2.88Å; I265-F267 VanDerWaalsContact C-N 3.28Å; I265-F267 PolarHBondContact O-N 3.12Å; F267-I270 PolarHBondContact O-N 3.21Å; F267-A271 WeakPolarHBondContact O-CB 3.34Å; F267-A271 PolarHBondContact O-N 2.84Å
268	I	79.2	Confident	79.1	Confident	35 Å²	35	59.4 Å²	59.4	18%	0.179	32%	0.323	C	S	.	.	H	α-helix	trans	-67.2	-41.8	-179.9	-61.5	171	0	0	0	110.6	V264 I265 I270 A271 V272 L303 V774 F778	V264-I268 HydrophobicContact CG1-CD1 3.74Å; V264-I268 HydrophobicContact CG1-CG1 4.35Å; V264-I268 WeakPolarHBondContact O-CG1 3.45Å; V264-I268 PolarHBondContact O-N 2.94Å; I265-I268 PolarHBondContact O-N 3.02Å; I268-I270 VanDerWaalsContact C-N 3.31Å; I268-I270 PolarHBondContact O-N 3.37Å; I268-A271 PolarHBondContact O-N 3.46Å; I268-A271 VanDerWaalsContact O-N 3.12Å; I268-V272 HydrophobicContact CG2-CG2 4.14Å; I268-V272 WeakPolarHBondContact O-CG2 3.48Å; I268-V272 PolarHBondContact O-N 2.72Å; I268-L303 HydrophobicContact CB-CD2 3.94Å; I268-L303 HydrophobicContact CG2-CD1 4.01Å; I268-L303 HydrophobicContact CG2-CD2 3.51Å; I268-L303 HydrophobicContact CG2-CG 4.35Å; I268-V774 HydrophobicContact CD1-CG1 3.8Å; I268-F778 HydrophobicContact CG2-CD2 4.37Å
269	C	78.2	Confident	78.8	Confident	26 Å²	26	63.4 Å²	63.4	18%	0.176	34%	0.34	C	S	.	.	H	α-helix	trans	-56.8	-45.1	174.5	-72.4	0	0	0	0	111.6	I265 W273 L303	I265-C269 WeakPolarHBondContact O-CB 3.32Å; I265-C269 PolarHBondContact O-N 2.96Å; I265-C269 PolarHBondContact O-SG 3.15Å; I265-C269 VanDerWaalsContact O-SG 3.34Å; C269-W273 VanDerWaalsContact O-CB 3.31Å; C269-W273 WeakPolarHBondContact O-CB 3.48Å; C269-W273 PolarHBondContact O-N 2.7Å; C269-L303 VanDerWaalsContact SG-CD2 3.55Å
270	I	82.9	Confident	78.2	Confident	96 Å²	96	60.5 Å²	60.5	49%	0.492	32%	0.322	S	S	.	.	H	α-helix	trans	-64.4	-43	175.5	-67.6	167.2	0	0	0	110.7	T266 F267 I268 W273 C274	T266-I270 HydrophobicContact CG2-CD1 4.04Å; T266-I270 VanDerWaalsContact O-CG1 3.28Å; T266-I270 WeakPolarHBondContact O-CG1 3.44Å; T266-I270 PolarHBondContact O-N 3.34Å; F267-I270 PolarHBondContact O-N 3.21Å; I268-I270 VanDerWaalsContact C-N 3.31Å; I268-I270 PolarHBondContact O-N 3.37Å; I270-W273 PolarHBondContact O-N 3.04Å; I270-C274 WeakPolarHBondContact O-CB 3.14Å; I270-C274 PolarHBondContact O-N 3.46Å; I270-C274 PolarHBondContact O-SG 3.34Å
271	A	81.2	Confident	77.4	Confident	27 Å²	27	60.7 Å²	60.7	22%	0.223	33%	0.327	C	S	.	.	H	α-helix	trans	-62.1	-47	179.4	0	0	0	0	0	111.9	F267 I268 W273 C274 I275	F267-A271 WeakPolarHBondContact O-CB 3.34Å; F267-A271 PolarHBondContact O-N 2.84Å; I268-A271 PolarHBondContact O-N 3.46Å; I268-A271 VanDerWaalsContact O-N 3.12Å; A271-W273 VanDerWaalsContact C-N 3.32Å; A271-W273 PolarHBondContact O-N 3.02Å; A271-C274 PolarHBondContact O-N 3.37Å; A271-I275 VanDerWaalsContact O-CG1 3.25Å; A271-I275 WeakPolarHBondContact O-CG1 3.21Å; A271-I275 PolarHBondContact O-N 2.73Å
272	V	76	Confident	76.8	Confident	6 Å²	6	61.4 Å²	61.4	4%	0.036	33%	0.331	C	S	.	.	H	α-helix	trans	-60.4	-43.6	175.5	172.5	0	0	0	0	110.5	I268 I275 N276 I299 F778	I268-V272 HydrophobicContact CG2-CG2 4.14Å; I268-V272 WeakPolarHBondContact O-CG2 3.48Å; I268-V272 PolarHBondContact O-N 2.72Å; V272-I275 PolarHBondContact O-N 3.31Å; V272-N276 WeakPolarHBondContact CG1-ND2 3.16Å; V272-N276 WeakPolarHBondContact O-CB 3.37Å; V272-N276 PolarHBondContact O-N 2.92Å; V272-N276 VanDerWaalsContact O-N 3.1Å; V272-N276 PolarHBondContact O-ND2 3.16Å; V272-I299 HydrophobicContact CG1-CG2 4.24Å; V272-F778 HydrophobicContact CG2-CD2 3.59Å; V272-F778 HydrophobicContact CG2-CE2 3.99Å
273	W	77.1	Confident	75.9	Confident	106 Å²	106	65.2 Å²	65.2	40%	0.402	36%	0.355	S	S	.	.	H	α-helix	trans	-62.5	-44.6	176.8	-172.4	88.2	0	0	0	112	C269 I270 A271 N276 I277 F280	C269-W273 VanDerWaalsContact O-CB 3.31Å; C269-W273 WeakPolarHBondContact O-CB 3.48Å; C269-W273 PolarHBondContact O-N 2.7Å; I270-W273 PolarHBondContact O-N 3.04Å; A271-W273 VanDerWaalsContact C-N 3.32Å; A271-W273 PolarHBondContact O-N 3.02Å; W273-N276 PolarHBondContact O-N 3.05Å; W273-I277 HydrophobicContact CE3-CD1 4.43Å; W273-I277 HydrophobicContact CH2-CD1 3.43Å; W273-I277 VanDerWaalsContact CH2-CD1 3.43Å; W273-I277 HydrophobicContact CH2-CG1 4.27Å; W273-I277 HydrophobicContact CZ2-CD1 4.06Å; W273-I277 HydrophobicContact CZ2-CG1 4.46Å; W273-I277 HydrophobicContact CZ3-CD1 3.66Å; W273-I277 PolarHBondContact O-N 2.83Å; W273-F280 AromaticContact CD1-CZ 3.68Å; W273-F280 AromaticContact CE2-CE2 3.96Å; W273-F280 HydrophobicContact CG-CZ 4.4Å; W273-F280 HydrophobicContact CZ2-CE2 4.23Å; W273-F280 AromaticContact NE1-CE2 3.52Å; W273-F280 AromaticContact NE1-CZ 3.42Å
274	C	81.9	Confident	74.6	Confident	69 Å²	69	60 Å²	60	47%	0.466	34%	0.335	S	S	.	.	H	α-helix	trans	-65.2	-40.6	178	-74	0	0	0	0	113.1	I270 A271 N276 I277	I270-C274 WeakPolarHBondContact O-CB 3.14Å; I270-C274 PolarHBondContact O-N 3.46Å; I270-C274 PolarHBondContact O-SG 3.34Å; A271-C274 PolarHBondContact O-N 3.37Å; C274-N276 VanDerWaalsContact C-N 3.27Å; C274-N276 PolarHBondContact O-N 3.47Å; C274-I277 WeakPolarHBondContact O-CG2 3.4Å
275	I	77.9	Confident	73.5	Confident	89 Å²	89	57.5 Å²	57.5	46%	0.456	32%	0.318	S	S	.	.	H	α-helix	trans	-62.7	-40	176.6	-70	164.9	0	0	0	110	A271 V272 F778	A271-I275 VanDerWaalsContact O-CG1 3.25Å; A271-I275 WeakPolarHBondContact O-CG1 3.21Å; A271-I275 PolarHBondContact O-N 2.73Å; V272-I275 PolarHBondContact O-N 3.31Å; I275-F778 HydrophobicContact CD1-CE2 4.05Å; I275-F778 HydrophobicContact CD1-CZ 4.09Å
276	N	73.5	Confident	72.4	Confident	6 Å²	6	60.2 Å²	60.2	3%	0.032	35%	0.348	C	S	.	.	H	α-helix	trans	-90.9	-7	-173	-70.4	-48.6	0	0	0	114.9	V272 W273 C274 G278 H279 F280 Y296	V272-N276 WeakPolarHBondContact CG1-ND2 3.16Å; V272-N276 WeakPolarHBondContact O-CB 3.37Å; V272-N276 PolarHBondContact O-N 2.92Å; V272-N276 VanDerWaalsContact O-N 3.1Å; V272-N276 PolarHBondContact O-ND2 3.16Å; W273-N276 PolarHBondContact O-N 3.05Å; C274-N276 VanDerWaalsContact C-N 3.27Å; C274-N276 PolarHBondContact O-N 3.47Å; N276-G278 PolarHBondContact O-N 3.33Å; N276-G278 VanDerWaalsContact O-N 3.09Å; N276-H279 PolarHBondContact O-N 3.07Å; N276-F280 HydrophobicContact CB-CE1 4.17Å; N276-F280 WeakPolarHBondContact O-CD1 3.36Å; N276-F280 WeakPolarHBondContact O-CE1 3.33Å; N276-Y296 HydrophobicContact CB-CD1 3.46Å; N276-Y296 VanDerWaalsContact CB-CD1 3.46Å; N276-Y296 HydrophobicContact CB-CD2 4.19Å; N276-Y296 HydrophobicContact CB-CE1 3.36Å; N276-Y296 HydrophobicContact CB-CE2 4.09Å; N276-Y296 HydrophobicContact CB-CG 3.89Å; N276-Y296 WeakPolarHBondContact ND2-CE1 3.4Å; N276-Y296 WeakPolarHBondContact OD1-CE1 3.47Å
277	I	77.5	Confident	71.2	Confident	77 Å²	77	59.5 Å²	59.5	40%	0.395	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-57.1	-30.9	-178.6	-155.3	175.4	0	0	0	112.7	W273 C274 H279 F280	W273-I277 HydrophobicContact CE3-CD1 4.43Å; W273-I277 HydrophobicContact CH2-CD1 3.43Å; W273-I277 VanDerWaalsContact CH2-CD1 3.43Å; W273-I277 HydrophobicContact CH2-CG1 4.27Å; W273-I277 HydrophobicContact CZ2-CD1 4.06Å; W273-I277 HydrophobicContact CZ2-CG1 4.46Å; W273-I277 HydrophobicContact CZ3-CD1 3.66Å; W273-I277 PolarHBondContact O-N 2.83Å; C274-I277 WeakPolarHBondContact O-CG2 3.4Å; I277-H279 VanDerWaalsContact C-N 3.27Å; I277-H279 PolarHBondContact O-N 2.55Å; I277-F280 HydrophobicContact CG1-CD2 4.44Å; I277-F280 PolarHBondContact O-N 3.02Å
278	G	71.3	Confident	70.3	Confident	59 Å²	59	55.1 Å²	55.1	61%	0.608	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-65.9	-28.6	176.2	0	0	0	0	0	113.5	N276	N276-G278 PolarHBondContact O-N 3.33Å; N276-G278 VanDerWaalsContact O-N 3.09Å
279	H	70.1	Confident	69.9	Low	89 Å²	89	59.9 Å²	59.9	41%	0.412	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-89.5	-2.4	179.9	-72.6	-76.9	0	0	0	113.3	N276 I277 N281 D282 Y296	N276-H279 PolarHBondContact O-N 3.07Å; I277-H279 VanDerWaalsContact C-N 3.27Å; I277-H279 PolarHBondContact O-N 2.55Å; H279-N281 PolarHBondContact O-N 3.38Å; H279-D282 IonicContact CE1-OD2 3.58Å; H279-D282 IonicContact CG-OD2 2.68Å; H279-D282 IonicContact ND1-OD2 2.8Å; H279-D282 PolarHBondContact ND1-OD2 3.35Å; H279-D282 WeakPolarHBondContact O-CB 3.37Å; H279-D282 PolarHBondContact O-N 2.86Å; H279-D282 VanDerWaalsContact O-N 3.13Å; H279-Y296 HydrophobicContact CB-CE2 4.24Å; H279-Y296 WeakPolarHBondContact CB-OH 3.42Å
280	F	69.2	Low	69.6	Low	1 Å²	1	64.4 Å²	64.4	0%	0.004	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-26.8	-178.9	-76.6	21.6	0	0	0	112.5	W273 N276 I277 D282 W289 A293 Y296	W273-F280 AromaticContact CD1-CZ 3.68Å; W273-F280 AromaticContact CE2-CE2 3.96Å; W273-F280 HydrophobicContact CG-CZ 4.4Å; W273-F280 HydrophobicContact CZ2-CE2 4.23Å; W273-F280 AromaticContact NE1-CE2 3.52Å; W273-F280 AromaticContact NE1-CZ 3.42Å; N276-F280 HydrophobicContact CB-CE1 4.17Å; N276-F280 WeakPolarHBondContact O-CD1 3.36Å; N276-F280 WeakPolarHBondContact O-CE1 3.33Å; I277-F280 HydrophobicContact CG1-CD2 4.44Å; I277-F280 PolarHBondContact O-N 3.02Å; F280-D282 VanDerWaalsContact C-N 3.34Å; F280-W289 AromaticContact CD2-CE2 3.97Å; F280-W289 HydrophobicContact CD2-CZ2 4.28Å; F280-W289 AromaticContact CD2-NE1 3.57Å; F280-A293 HydrophobicContact CD2-CB 4.15Å; F280-A293 HydrophobicContact CE2-CB 4.03Å; F280-Y296 AromaticContact CD1-CD2 3.44Å; F280-Y296 HydrophobicContact CD1-CD2 3.44Å; F280-Y296 VanDerWaalsContact CD1-CD2 3.44Å; F280-Y296 AromaticContact CD1-CE2 3.81Å; F280-Y296 HydrophobicContact CD1-CE2 3.81Å; F280-Y296 HydrophobicContact CD1-CG 4.32Å; F280-Y296 AromaticContact CE1-CD2 3.18Å; F280-Y296 HydrophobicContact CE1-CD2 3.18Å; F280-Y296 AromaticContact CE1-CE2 3.93Å; F280-Y296 HydrophobicContact CE1-CE2 3.93Å; F280-Y296 AromaticContact CE1-CG 3.62Å; F280-Y296 HydrophobicContact CE1-CG 3.62Å; F280-Y296 HydrophobicContact CZ-CD2 4.19Å; F280-Y296 HydrophobicContact CZ-CG 4.39Å
281	N	63.6	Low	68.8	Low	112 Å²	112	67.6 Å²	67.6	60%	0.599	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	6.2	177.6	-72.1	-23.8	0	0	0	113	H279 W289	H279-N281 PolarHBondContact O-N 3.38Å; N281-W289 VanDerWaalsContact OD1-CD1 3.3Å
282	D	65	Low	68.3	Low	46 Å²	46	66.3 Å²	66.3	25%	0.246	37%	0.374	C	S	.	.			trans	-61.3	136.6	-178.3	-88.2	-17.8	0	0	0	110.9	H279 F280 V284 H285	H279-D282 IonicContact CE1-OD2 3.58Å; H279-D282 IonicContact CG-OD2 2.68Å; H279-D282 IonicContact ND1-OD2 2.8Å; H279-D282 PolarHBondContact ND1-OD2 3.35Å; H279-D282 WeakPolarHBondContact O-CB 3.37Å; H279-D282 PolarHBondContact O-N 2.86Å; H279-D282 VanDerWaalsContact O-N 3.13Å; F280-D282 VanDerWaalsContact C-N 3.34Å; D282-V284 HydrophobicContact CB-CB 4.12Å; D282-V284 HydrophobicContact CB-CG2 4.05Å; D282-V284 PolarHBondContact O-N 3.34Å; D282-H285 PolarHBondContact O-N 3.24Å
283	P	59.6	Low	68.2	Low	86 Å²	86	67.1 Å²	67.1	56%	0.558	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-58.3	-19	-178.8	22.2	-31.8	0	0	0	112.6	H285 G286	P283-H285 VanDerWaalsContact C-N 3.26Å; P283-H285 PolarHBondContact O-N 3.27Å; P283-G286 WeakPolarHBondContact O-CA 3.4Å; P283-G286 PolarHBondContact O-N 2.94Å
284	V	57.1	Low	67.9	Low	32 Å²	32	65.2 Å²	65.2	19%	0.194	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-50.1	-37.8	171.8	-174.5	0	0	0	0	114.1	D282 G286 L876 Q877 L880	D282-V284 HydrophobicContact CB-CB 4.12Å; D282-V284 HydrophobicContact CB-CG2 4.05Å; D282-V284 PolarHBondContact O-N 3.34Å; V284-G286 PolarHBondContact O-N 2.83Å; V284-L876 HydrophobicContact CB-CB 4.49Å; V284-L876 HydrophobicContact CG1-CB 3.13Å; V284-L876 HydrophobicContact CG1-CD1 3.87Å; V284-L876 HydrophobicContact CG1-CG 4.08Å; V284-Q877 HydrophobicContact CG2-CG 3.57Å; V284-L880 VanDerWaalsContact CA-CD1 3.5Å; V284-L880 HydrophobicContact CB-CD1 4.41Å; V284-L880 HydrophobicContact CG2-CD1 4.33Å
285	H	57.4	Low	67.4	Low	24 Å²	24	64.7 Å²	64.7	11%	0.111	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-88.8	15.9	179.2	-58.7	93.8	0	0	0	112.8	D282 P283 G287 R291	D282-H285 PolarHBondContact O-N 3.24Å; P283-H285 VanDerWaalsContact C-N 3.26Å; P283-H285 PolarHBondContact O-N 3.27Å; H285-G287 VanDerWaalsContact C-N 3.34Å; H285-R291 HydrophobicContact CB-CB 4.07Å
286	G	55.4	Low	67.3	Low	63 Å²	63	61.4 Å²	61.4	65%	0.649	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	19.3	-172.5	0	0	0	0	0	113.6	P283 V284 S288	P283-G286 WeakPolarHBondContact O-CA 3.4Å; P283-G286 PolarHBondContact O-N 2.94Å; V284-G286 PolarHBondContact O-N 2.83Å; G286-S288 PolarHBondContact O-N 2.59Å
287	G	56.5	Low	67.2	Low	52 Å²	52	66 Å²	66	54%	0.536	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	8.5	-175	0	0	0	0	0	114.5	H285	H285-G287 VanDerWaalsContact C-N 3.34Å
288	S	65	Low	66.9	Low	56 Å²	56	65.4 Å²	65.4	39%	0.392	37%	0.367	S	S	.	.			trans	-97.8	108	179.7	-161.9	0	0	0	0	110	G286 L290 R291 G292	G286-S288 PolarHBondContact O-N 2.59Å; S288-L290 PolarHBondContact O-N 2.54Å; S288-R291 PolarHBondContact O-N 2.96Å; S288-G292 PolarHBondContact O-N 2.86Å
289	W	72.1	Confident	67.1	Low	136 Å²	136	63.2 Å²	63.2	52%	0.515	34%	0.341	S	S	.	.	H	α-helix	trans	-49.8	-32	176.8	-173.8	77	0	0	0	112.6	F280 N281 A293	F280-W289 AromaticContact CD2-CE2 3.97Å; F280-W289 HydrophobicContact CD2-CZ2 4.28Å; F280-W289 AromaticContact CD2-NE1 3.57Å; N281-W289 VanDerWaalsContact OD1-CD1 3.3Å; W289-A293 VanDerWaalsContact O-CB 3.3Å; W289-A293 WeakPolarHBondContact O-CB 3.33Å; W289-A293 PolarHBondContact O-N 2.81Å
290	L	71.3	Confident	67.3	Low	121 Å²	121	59.9 Å²	59.9	63%	0.634	33%	0.329	S	S	*	.	H	α-helix	trans	-64.4	-40.7	178.9	-159.7	79.8	0	0	0	112.8	S288 V294	S288-L290 PolarHBondContact O-N 2.54Å; L290-V294 WeakPolarHBondContact O-CB 3.33Å; L290-V294 VanDerWaalsContact O-CG2 3.26Å; L290-V294 WeakPolarHBondContact O-CG2 3.29Å; L290-V294 PolarHBondContact O-N 3.05Å
291	R	66.4	Low	67.4	Low	163 Å²	163	60.3 Å²	60.3	62%	0.615	33%	0.331	S	S	*	.	H	α-helix	trans	-72	-39.9	179.9	-82.7	-175.4	175.3	170.4	-3.6	111.9	H285 S288 V294 Y295	H285-R291 HydrophobicContact CB-CB 4.07Å; S288-R291 PolarHBondContact O-N 2.96Å; R291-V294 PolarHBondContact O-N 3.3Å; R291-Y295 PolarHBondContact O-N 3.47Å
292	G	70.2	Confident	67.9	Low	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.4	-45.2	172.6	0	0	0	0	0	111.9	S288 V294 Y295 Y296	S288-G292 PolarHBondContact O-N 2.86Å; G292-V294 VanDerWaalsContact C-N 3.33Å; G292-V294 PolarHBondContact O-N 2.9Å; G292-Y295 PolarHBondContact O-N 3.19Å; G292-Y296 VanDerWaalsContact O-CD2 3.23Å; G292-Y296 WeakPolarHBondContact O-CD2 3.18Å; G292-Y296 PolarHBondContact O-N 3.35Å; G292-Y296 VanDerWaalsContact O-N 3.08Å
293	A	73.4	Confident	68.5	Low	22 Å²	22	53.4 Å²	53.4	18%	0.182	30%	0.296	C	S	.	.	H	α-helix	trans	-58.8	-43.9	175.3	0	0	0	0	0	112	F280 W289 F297	F280-A293 HydrophobicContact CD2-CB 4.15Å; F280-A293 HydrophobicContact CE2-CB 4.03Å; W289-A293 VanDerWaalsContact O-CB 3.3Å; W289-A293 WeakPolarHBondContact O-CB 3.33Å; W289-A293 PolarHBondContact O-N 2.81Å; A293-F297 WeakPolarHBondContact O-CB 3.5Å; A293-F297 PolarHBondContact O-N 2.87Å
294	V	72.4	Confident	69.2	Low	67 Å²	67	49.8 Å²	49.8	41%	0.406	27%	0.273	S	S	.	.	H	α-helix	trans	-61.2	-43.3	176.4	164.4	0	0	0	0	112.1	L76 L290 R291 G292 F297 K298	L76-V294 HydrophobicContact CD2-CG1 3.44Å; L76-V294 VanDerWaalsContact CD2-CG1 3.44Å; L290-V294 WeakPolarHBondContact O-CB 3.33Å; L290-V294 VanDerWaalsContact O-CG2 3.26Å; L290-V294 WeakPolarHBondContact O-CG2 3.29Å; L290-V294 PolarHBondContact O-N 3.05Å; R291-V294 PolarHBondContact O-N 3.3Å; G292-V294 VanDerWaalsContact C-N 3.33Å; G292-V294 PolarHBondContact O-N 2.9Å; V294-F297 PolarHBondContact O-N 2.79Å; V294-K298 PolarHBondContact O-N 2.74Å
295	Y	71.2	Confident	70	Confident	57 Å²	57	48.3 Å²	48.3	22%	0.224	27%	0.265	C	S	.	.	H	α-helix	trans	-62.1	-50.9	178.7	-178.7	-105.3	0	0	0	112.4	R291 G292 F297 K298 I299 E787	R291-Y295 PolarHBondContact O-N 3.47Å; G292-Y295 PolarHBondContact O-N 3.19Å; Y295-F297 PolarHBondContact O-N 3.48Å; Y295-K298 WeakPolarHBondContact O-CB 3.32Å; Y295-K298 PolarHBondContact O-N 3.09Å; Y295-K298 VanDerWaalsContact O-N 3.1Å; Y295-I299 HydrophobicContact CD1-CD1 4.14Å; Y295-I299 HydrophobicContact CE1-CD1 3.57Å; Y295-I299 HydrophobicContact CE1-CG1 4.45Å; Y295-I299 PolarHBondContact O-N 2.94Å; Y295-I299 VanDerWaalsContact O-N 3.09Å; Y295-E787 PolarHBondContact OH-OE1 3.03Å
296	Y	74.3	Confident	70.9	Confident	21 Å²	21	47.2 Å²	47.2	8%	0.082	26%	0.259	C	S	.	.	H	α-helix	trans	-69.3	-23.4	178.2	-71.9	-69.8	0	0	0	113.1	N276 H279 F280 G292 I299 A300	N276-Y296 HydrophobicContact CB-CD1 3.46Å; N276-Y296 VanDerWaalsContact CB-CD1 3.46Å; N276-Y296 HydrophobicContact CB-CD2 4.19Å; N276-Y296 HydrophobicContact CB-CE1 3.36Å; N276-Y296 HydrophobicContact CB-CE2 4.09Å; N276-Y296 HydrophobicContact CB-CG 3.89Å; N276-Y296 WeakPolarHBondContact ND2-CE1 3.4Å; N276-Y296 WeakPolarHBondContact OD1-CE1 3.47Å; H279-Y296 HydrophobicContact CB-CE2 4.24Å; H279-Y296 WeakPolarHBondContact CB-OH 3.42Å; F280-Y296 AromaticContact CD1-CD2 3.44Å; F280-Y296 HydrophobicContact CD1-CD2 3.44Å; F280-Y296 VanDerWaalsContact CD1-CD2 3.44Å; F280-Y296 AromaticContact CD1-CE2 3.81Å; F280-Y296 HydrophobicContact CD1-CE2 3.81Å; F280-Y296 HydrophobicContact CD1-CG 4.32Å; F280-Y296 AromaticContact CE1-CD2 3.18Å; F280-Y296 HydrophobicContact CE1-CD2 3.18Å; F280-Y296 AromaticContact CE1-CE2 3.93Å; F280-Y296 HydrophobicContact CE1-CE2 3.93Å; F280-Y296 AromaticContact CE1-CG 3.62Å; F280-Y296 HydrophobicContact CE1-CG 3.62Å; F280-Y296 HydrophobicContact CZ-CD2 4.19Å; F280-Y296 HydrophobicContact CZ-CG 4.39Å; G292-Y296 VanDerWaalsContact O-CD2 3.23Å; G292-Y296 WeakPolarHBondContact O-CD2 3.18Å; G292-Y296 PolarHBondContact O-N 3.35Å; G292-Y296 VanDerWaalsContact O-N 3.08Å; Y296-I299 HydrophobicContact CD1-CD1 3.96Å; Y296-I299 HydrophobicContact CE1-CD1 4.28Å; Y296-A300 PolarHBondContact O-N 3.45Å
297	F	73	Confident	72.1	Confident	101 Å²	101	44.5 Å²	44.5	44%	0.443	23%	0.231	S	C	.	.	H	α-helix	trans	-72.6	-36.5	170.5	-155.7	-106.9	0	0	0	112.1	I72 A293 V294 Y295 I299 A300 V301	I72-F297 HydrophobicContact CB-CE1 4.47Å; I72-F297 HydrophobicContact CD1-CE1 3.55Å; I72-F297 HydrophobicContact CD1-CZ 3.93Å; I72-F297 HydrophobicContact CG1-CE1 4.01Å; I72-F297 HydrophobicContact CG2-CD1 3.84Å; I72-F297 HydrophobicContact CG2-CE1 3.64Å; A293-F297 WeakPolarHBondContact O-CB 3.5Å; A293-F297 PolarHBondContact O-N 2.87Å; V294-F297 PolarHBondContact O-N 2.79Å; Y295-F297 PolarHBondContact O-N 3.48Å; F297-I299 VanDerWaalsContact C-N 3.33Å; F297-I299 PolarHBondContact O-N 2.79Å; F297-A300 WeakPolarHBondContact O-CB 3.33Å; F297-A300 PolarHBondContact O-N 2.82Å; F297-A300 VanDerWaalsContact O-N 3.15Å; F297-V301 PolarHBondContact O-N 3.2Å
298	K	71.4	Confident	73.2	Confident	66 Å²	66	42.4 Å²	42.4	29%	0.287	21%	0.208	S	C	.	.	H	α-helix	trans	-60.2	-42.2	170.1	-173	178.8	-179.1	173.6	0	111.2	L76 V294 Y295 A300 V301 A302	L76-K298 HydrophobicContact CD1-CB 4.37Å; V294-K298 PolarHBondContact O-N 2.74Å; Y295-K298 WeakPolarHBondContact O-CB 3.32Å; Y295-K298 PolarHBondContact O-N 3.09Å; Y295-K298 VanDerWaalsContact O-N 3.1Å; K298-A300 VanDerWaalsContact C-N 3.33Å; K298-A300 PolarHBondContact O-N 3.24Å; K298-V301 PolarHBondContact O-N 2.83Å; K298-A302 PolarHBondContact O-N 2.82Å
299	I	74.5	Confident	73.9	Confident	12 Å²	12	40.3 Å²	40.3	6%	0.062	19%	0.193	C	C	.	.	H	α-helix	trans	-61.1	-41	172.9	-66.4	175.4	0	0	0	111.3	V272 Y295 Y296 F297 V301 A302 L303 I777 A781	V272-I299 HydrophobicContact CG1-CG2 4.24Å; Y295-I299 HydrophobicContact CD1-CD1 4.14Å; Y295-I299 HydrophobicContact CE1-CD1 3.57Å; Y295-I299 HydrophobicContact CE1-CG1 4.45Å; Y295-I299 PolarHBondContact O-N 2.94Å; Y295-I299 VanDerWaalsContact O-N 3.09Å; Y296-I299 HydrophobicContact CD1-CD1 3.96Å; Y296-I299 HydrophobicContact CE1-CD1 4.28Å; F297-I299 VanDerWaalsContact C-N 3.33Å; F297-I299 PolarHBondContact O-N 2.79Å; I299-V301 VanDerWaalsContact C-N 3.32Å; I299-V301 PolarHBondContact O-N 3.04Å; I299-A302 PolarHBondContact O-N 2.83Å; I299-L303 WeakPolarHBondContact O-CB 3.5Å; I299-L303 PolarHBondContact O-N 2.83Å; I299-I777 HydrophobicContact CG2-CG2 4.12Å; I299-A781 HydrophobicContact CD1-CB 4.25Å; I299-A781 HydrophobicContact CG2-CB 3.98Å
300	A	74.7	Confident	74.1	Confident	20 Å²	20	34.1 Å²	34.1	17%	0.165	17%	0.169	C	C	.	.	H	α-helix	trans	-64.2	-36.7	176.9	0	0	0	0	0	112.5	Y296 F297 K298 A304	Y296-A300 PolarHBondContact O-N 3.45Å; F297-A300 WeakPolarHBondContact O-CB 3.33Å; F297-A300 PolarHBondContact O-N 2.82Å; F297-A300 VanDerWaalsContact O-N 3.15Å; K298-A300 VanDerWaalsContact C-N 3.33Å; K298-A300 PolarHBondContact O-N 3.24Å; A300-A304 WeakPolarHBondContact O-CB 3.36Å; A300-A304 PolarHBondContact O-N 3.28Å
301	V	71.6	Confident	74.4	Confident	9 Å²	9	28.5 Å²	28.5	6%	0.055	14%	0.14	C	C	.	.	H	α-helix	trans	-65.3	-47.9	172.7	172	0	0	0	0	110.9	A69 I72 F297 K298 I299 L303 A304 V305	A69-V301 HydrophobicContact CB-CG1 3.95Å; I72-V301 HydrophobicContact CB-CG2 4.38Å; I72-V301 HydrophobicContact CG2-CG2 3.85Å; F297-V301 PolarHBondContact O-N 3.2Å; K298-V301 PolarHBondContact O-N 2.83Å; I299-V301 VanDerWaalsContact C-N 3.32Å; I299-V301 PolarHBondContact O-N 3.04Å; V301-L303 VanDerWaalsContact C-N 3.28Å; V301-L303 PolarHBondContact O-N 2.99Å; V301-A304 WeakPolarHBondContact O-CB 3.46Å; V301-A304 PolarHBondContact O-N 2.85Å; V301-A304 VanDerWaalsContact O-N 3.12Å; V301-V305 WeakPolarHBondContact O-CG2 3.44Å; V301-V305 PolarHBondContact O-N 3.42Å
302	A	72.6	Confident	75.1	Confident	12 Å²	12	21.2 Å²	21.2	10%	0.099	11%	0.114	C	C	.	.	H	α-helix	trans	-57.5	-42.3	176.4	0	0	0	0	0	112	K298 I299 V305 A306 I777 P791	K298-A302 PolarHBondContact O-N 2.82Å; I299-A302 PolarHBondContact O-N 2.83Å; A302-V305 PolarHBondContact O-N 2.93Å; A302-A306 WeakPolarHBondContact O-CB 3.46Å; A302-A306 PolarHBondContact O-N 3.39Å; A302-I777 HydrophobicContact CB-CD1 4.35Å; A302-P791 HydrophobicContact CB-CG 3.67Å
303	L	78.2	Confident	75.4	Confident	2 Å²	2	24.5 Å²	24.5	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-64.9	-40.4	176.2	-169.6	109.3	0	0	0	112.3	I268 C269 I299 V301 A306 A307 V774 I777	I268-L303 HydrophobicContact CB-CD2 3.94Å; I268-L303 HydrophobicContact CG2-CD1 4.01Å; I268-L303 HydrophobicContact CG2-CD2 3.51Å; I268-L303 HydrophobicContact CG2-CG 4.35Å; C269-L303 VanDerWaalsContact SG-CD2 3.55Å; I299-L303 WeakPolarHBondContact O-CB 3.5Å; I299-L303 PolarHBondContact O-N 2.83Å; V301-L303 VanDerWaalsContact C-N 3.28Å; V301-L303 PolarHBondContact O-N 2.99Å; L303-A306 PolarHBondContact O-N 2.84Å; L303-A307 WeakPolarHBondContact O-CB 3.06Å; L303-A307 PolarHBondContact O-N 2.81Å; L303-A307 VanDerWaalsContact O-N 3.1Å; L303-V774 HydrophobicContact CD1-CG1 4.23Å; L303-I777 HydrophobicContact CB-CG2 4.25Å; L303-I777 HydrophobicContact CD1-CB 4.15Å; L303-I777 HydrophobicContact CD1-CG2 3.83Å
304	A	75.6	Confident	75.8	Confident	10 Å²	10	25.2 Å²	25.2	8%	0.083	14%	0.141	C	C	.	.	H	α-helix	trans	-63.5	-42.6	176.5	0	0	0	0	0	111.5	I65 I265 A300 V301 A307 I308	I65-A304 HydrophobicContact CG2-CB 4.34Å; I265-A304 HydrophobicContact CG2-CB 4.14Å; A300-A304 WeakPolarHBondContact O-CB 3.36Å; A300-A304 PolarHBondContact O-N 3.28Å; V301-A304 WeakPolarHBondContact O-CB 3.46Å; V301-A304 PolarHBondContact O-N 2.85Å; V301-A304 VanDerWaalsContact O-N 3.12Å; A304-A307 PolarHBondContact O-N 3.35Å; A304-I308 WeakPolarHBondContact O-CD1 3.41Å; A304-I308 VanDerWaalsContact O-CG1 3.31Å; A304-I308 WeakPolarHBondContact O-CG1 3.36Å; A304-I308 PolarHBondContact O-N 3.02Å
305	V	72.4	Confident	76.4	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-64.2	-47.7	176	173.1	0	0	0	0	111	I95 V301 A302 A307 I308 L795	I95-V305 HydrophobicContact CD1-CG2 4.31Å; V301-V305 WeakPolarHBondContact O-CG2 3.44Å; V301-V305 PolarHBondContact O-N 3.42Å; A302-V305 PolarHBondContact O-N 2.93Å; V305-A307 PolarHBondContact O-N 3.19Å; V305-I308 PolarHBondContact O-N 3.38Å; V305-L795 HydrophobicContact CG1-CD2 3.4Å; V305-L795 HydrophobicContact CG1-CG 3.82Å
306	A	77.2	Confident	77	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-58.8	-30.8	178.8	0	0	0	0	0	113.7	A302 L303 N770 E773 V774 I777 L794	A302-A306 WeakPolarHBondContact O-CB 3.46Å; A302-A306 PolarHBondContact O-N 3.39Å; L303-A306 PolarHBondContact O-N 2.84Å; A306-N770 PolarHBondContact O-ND2 3.11Å; A306-E773 HydrophobicContact CB-CB 4.07Å; A306-V774 HydrophobicContact CB-CG2 4.49Å; A306-I777 HydrophobicContact CB-CD1 3.46Å; A306-I777 VanDerWaalsContact CB-CD1 3.46Å; A306-L794 HydrophobicContact CB-CD1 3.75Å
307	A	80.8	Confident	77.4	Confident	7 Å²	7	20.2 Å²	20.2	6%	0.058	12%	0.118	C	C	.	.	H	α-helix	trans	-83.2	-19.2	-176.8	0	0	0	0	0	113.7	L261 I265 L303 A304 V305 V774	L261-A307 WeakPolarHBondContact CD2-O 3.48Å; I265-A307 HydrophobicContact CD1-CB 3.49Å; I265-A307 VanDerWaalsContact CD1-CB 3.49Å; I265-A307 HydrophobicContact CG1-CB 3.38Å; L303-A307 WeakPolarHBondContact O-CB 3.06Å; L303-A307 PolarHBondContact O-N 2.81Å; L303-A307 VanDerWaalsContact O-N 3.1Å; A304-A307 PolarHBondContact O-N 3.35Å; V305-A307 PolarHBondContact O-N 3.19Å; A307-V774 HydrophobicContact CB-CG2 3.61Å
308	I	78.4	Confident	77.9	Confident	8 Å²	8	18.1 Å²	18.1	4%	0.041	11%	0.114	C	C	.	.	S	Bend	trans	-92.9	121.6	-174.6	-62.4	169.3	0	0	0	109.7	L62 I65 L66 I265 A304 V305 E310 N770	L62-I308 HydrophobicContact CD2-CG1 4.45Å; I65-I308 HydrophobicContact CG2-CD1 4.24Å; L66-I308 HydrophobicContact CD1-CB 4.22Å; L66-I308 HydrophobicContact CD1-CD1 3.7Å; L66-I308 HydrophobicContact CD1-CG2 3.76Å; L66-I308 HydrophobicContact CG-CD1 4.04Å; I265-I308 HydrophobicContact CD1-CG1 3.81Å; A304-I308 WeakPolarHBondContact O-CD1 3.41Å; A304-I308 VanDerWaalsContact O-CG1 3.31Å; A304-I308 WeakPolarHBondContact O-CG1 3.36Å; A304-I308 PolarHBondContact O-N 3.02Å; V305-I308 PolarHBondContact O-N 3.38Å; I308-E310 VanDerWaalsContact C-N 3.29Å; I308-E310 HydrophobicContact CG2-CG 4.16Å; I308-E310 PolarHBondContact O-N 3.43Å; I308-N770 PolarHBondContact O-ND2 3Å
309	P	79.8	Confident	78.6	Confident	12 Å²	12	15 Å²	15	8%	0.078	10%	0.101	C	C	.	.			trans	-79.2	77.7	177.2	32.8	-35.7	0	0	0	110.4	F257 L261 G311 L312	F257-P309 HydrophobicContact CE1-CG 4.31Å; L261-P309 HydrophobicContact CD2-CG 4.4Å; P309-G311 VanDerWaalsContact C-N 3.28Å; P309-G311 PolarHBondContact O-N 2.97Å; P309-L312 HydrophobicContact CB-CB 4.06Å; P309-L312 HydrophobicContact CG-CB 4.28Å; P309-L312 HydrophobicContact CG-CD2 4.16Å; P309-L312 WeakPolarHBondContact O-CB 3.48Å; P309-L312 PolarHBondContact O-N 3.36Å
310	E	77.5	Confident	79.2	Confident	5 Å²	5	14.9 Å²	14.9	2%	0.023	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-32.2	-173.4	-65.6	168.3	166.4	0	0	114.1	L66 I308 L312 P313 L795	L66-E310 HydrophobicContact CD1-CG 4.08Å; I308-E310 VanDerWaalsContact C-N 3.29Å; I308-E310 HydrophobicContact CG2-CG 4.16Å; I308-E310 PolarHBondContact O-N 3.43Å; E310-L312 PolarHBondContact O-N 2.86Å; E310-P313 WeakPolarHBondContact O-CD 3.34Å; E310-L795 WeakPolarHBondContact OE1-CD2 3.33Å; E310-L795 WeakPolarHBondContact OE2-CD2 3.39Å
311	G	76.9	Confident	79.6	Confident	3 Å²	3	16 Å²	16	3%	0.031	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-14.9	176.1	0	0	0	0	0	113.4	P309 A314 V315	P309-G311 VanDerWaalsContact C-N 3.28Å; P309-G311 PolarHBondContact O-N 2.97Å; G311-A314 PolarHBondContact O-N 3.41Å; G311-V315 WeakPolarHBondContact O-CG2 3.33Å; G311-V315 PolarHBondContact O-N 2.72Å
312	L	81.9	Confident	80.2	Confident	11 Å²	11	17.7 Å²	17.7	6%	0.058	12%	0.117	C	C	.	.	H	α-helix	trans	-61.5	-48	-169.7	-178.6	65.6	0	0	0	113.7	P309 E310 A314 V315 I316 F762 I763 L766	P309-L312 HydrophobicContact CB-CB 4.06Å; P309-L312 HydrophobicContact CG-CB 4.28Å; P309-L312 HydrophobicContact CG-CD2 4.16Å; P309-L312 WeakPolarHBondContact O-CB 3.48Å; P309-L312 PolarHBondContact O-N 3.36Å; E310-L312 PolarHBondContact O-N 2.86Å; L312-A314 VanDerWaalsContact C-N 3.27Å; L312-A314 PolarHBondContact O-N 3.14Å; L312-V315 PolarHBondContact O-N 2.92Å; L312-I316 HydrophobicContact CD1-CD1 3.78Å; L312-I316 HydrophobicContact CD1-CG1 3.93Å; L312-I316 HydrophobicContact CD2-CD1 4.33Å; L312-I316 HydrophobicContact CG-CD1 3.71Å; L312-I316 HydrophobicContact CG-CG1 4.27Å; L312-I316 WeakPolarHBondContact O-CB 3.37Å; L312-I316 VanDerWaalsContact O-CG1 3.3Å; L312-I316 WeakPolarHBondContact O-CG1 3.39Å; L312-I316 PolarHBondContact O-N 3.2Å; L312-F762 HydrophobicContact CD1-CD2 4.26Å; L312-F762 HydrophobicContact CD1-CE2 3.91Å; L312-I763 HydrophobicContact CD1-CG1 3.73Å; L312-L766 HydrophobicContact CB-CD1 4.28Å; L312-L766 HydrophobicContact CD1-CD1 3.82Å
313	P	76.4	Confident	80.7	Confident	69 Å²	69	17.1 Å²	17.1	45%	0.448	11%	0.113	S	C	.	.	H	α-helix	trans	-59.3	-38.4	177.1	-24.1	35.5	0	0	0	112.8	E310 T317	E310-P313 WeakPolarHBondContact O-CD 3.34Å; P313-T317 VanDerWaalsContact O-CB 3.27Å; P313-T317 WeakPolarHBondContact O-CB 3.5Å; P313-T317 PolarHBondContact O-N 3.37Å; P313-T317 PolarHBondContact O-OG1 2.88Å
314	A	80.4	Confident	81	Confident	37 Å²	37	18.1 Å²	18.1	31%	0.306	12%	0.119	S	C	.	.	H	α-helix	trans	-67.9	-43.3	178.8	0	0	0	0	0	111.7	G311 L312 T317 T318	G311-A314 PolarHBondContact O-N 3.41Å; L312-A314 VanDerWaalsContact C-N 3.27Å; L312-A314 PolarHBondContact O-N 3.14Å; A314-T317 PolarHBondContact O-N 3.4Å; A314-T318 WeakPolarHBondContact O-CB 3.32Å; A314-T318 PolarHBondContact O-N 2.82Å; A314-T318 PolarHBondContact O-OG1 3.46Å
315	V	86.2	Confident	81.4	Confident	4 Å²	4	25.3 Å²	25.3	2%	0.024	14%	0.144	C	C	.	.	H	α-helix	trans	-65.8	-45.9	177.6	175.8	0	0	0	0	111.2	G311 L312 T317 T318 C319 F762 A806	G311-V315 WeakPolarHBondContact O-CG2 3.33Å; G311-V315 PolarHBondContact O-N 2.72Å; L312-V315 PolarHBondContact O-N 2.92Å; V315-T317 PolarHBondContact O-N 3.32Å; V315-T318 PolarHBondContact O-N 3.4Å; V315-C319 WeakPolarHBondContact O-CB 3.43Å; V315-C319 PolarHBondContact O-N 2.73Å; V315-F762 HydrophobicContact CB-CE2 4.44Å; V315-F762 HydrophobicContact CG1-CD1 4.27Å; V315-F762 HydrophobicContact CG1-CD2 3.71Å; V315-F762 HydrophobicContact CG1-CE1 4.18Å; V315-F762 HydrophobicContact CG1-CE2 3.71Å; V315-F762 HydrophobicContact CG1-CG 4.05Å; V315-F762 HydrophobicContact CG1-CZ 3.96Å; V315-A806 HydrophobicContact CG1-CB 3.9Å; V315-A806 HydrophobicContact CG2-CB 4.04Å
316	I	84.5	Confident	82	Confident	13 Å²	13	28.1 Å²	28.1	7%	0.067	15%	0.154	C	C	.	.	H	α-helix	trans	-58.2	-50.3	176.2	-68.8	172.5	0	0	0	109.9	L250 I254 L312 T318 C319 L320 M759 F762	L250-I316 HydrophobicContact CD2-CG2 4.43Å; I254-I316 HydrophobicContact CD1-CD1 3.65Å; I254-I316 HydrophobicContact CG1-CD1 4.46Å; L312-I316 HydrophobicContact CD1-CD1 3.78Å; L312-I316 HydrophobicContact CD1-CG1 3.93Å; L312-I316 HydrophobicContact CD2-CD1 4.33Å; L312-I316 HydrophobicContact CG-CD1 3.71Å; L312-I316 HydrophobicContact CG-CG1 4.27Å; L312-I316 WeakPolarHBondContact O-CB 3.37Å; L312-I316 VanDerWaalsContact O-CG1 3.3Å; L312-I316 WeakPolarHBondContact O-CG1 3.39Å; L312-I316 PolarHBondContact O-N 3.2Å; I316-T318 VanDerWaalsContact C-N 3.31Å; I316-T318 PolarHBondContact O-N 2.97Å; I316-C319 PolarHBondContact O-N 3.22Å; I316-L320 HydrophobicContact CG2-CD1 3.69Å; I316-L320 HydrophobicContact CG2-CG 4.18Å; I316-L320 WeakPolarHBondContact O-CB 3.28Å; I316-L320 VanDerWaalsContact O-CG 3.31Å; I316-L320 WeakPolarHBondContact O-CG 3.43Å; I316-L320 PolarHBondContact O-N 3.24Å; I316-M759 HydrophobicContact CG2-SD 4.37Å; I316-F762 HydrophobicContact CB-CZ 4.48Å; I316-F762 HydrophobicContact CG1-CE2 3.69Å; I316-F762 HydrophobicContact CG1-CZ 3.78Å
317	T	81.6	Confident	82.5	Confident	22 Å²	22	28.2 Å²	28.2	14%	0.135	16%	0.155	C	C	.	.	H	α-helix	trans	-55.3	-48.1	178.2	-62.5	0	0	0	0	111.6	V105 Q109 P313 A314 V315 C319 L320 A321 L337	V105-T317 HydrophobicContact CG1-CG2 4.47Å; Q109-T317 PolarHBondContact NE2-OG1 2.9Å; P313-T317 VanDerWaalsContact O-CB 3.27Å; P313-T317 WeakPolarHBondContact O-CB 3.5Å; P313-T317 PolarHBondContact O-N 3.37Å; P313-T317 PolarHBondContact O-OG1 2.88Å; A314-T317 PolarHBondContact O-N 3.4Å; V315-T317 PolarHBondContact O-N 3.32Å; T317-C319 PolarHBondContact O-N 3.02Å; T317-L320 PolarHBondContact O-N 3.14Å; T317-A321 VanDerWaalsContact O-CB 3.29Å; T317-A321 WeakPolarHBondContact O-CB 3.42Å; T317-A321 PolarHBondContact O-N 3.21Å; T317-L337 HydrophobicContact CG2-CD1 4.48Å
318	T	84.4	Confident	82.8	Confident	58 Å²	58	30 Å²	30	36%	0.356	17%	0.17	S	C	.	.	H	α-helix	trans	-63.5	-44.1	-179.2	-57.1	0	0	0	0	110.8	A314 V315 I316 A321 L322 T807	A314-T318 WeakPolarHBondContact O-CB 3.32Å; A314-T318 PolarHBondContact O-N 2.82Å; A314-T318 PolarHBondContact O-OG1 3.46Å; V315-T318 PolarHBondContact O-N 3.4Å; I316-T318 VanDerWaalsContact C-N 3.31Å; I316-T318 PolarHBondContact O-N 2.97Å; T318-A321 PolarHBondContact O-N 3.46Å; T318-L322 HydrophobicContact CG2-CD1 3.84Å; T318-L322 WeakPolarHBondContact O-CB 3.11Å; T318-L322 VanDerWaalsContact O-CD1 3.3Å; T318-L322 WeakPolarHBondContact O-CD1 3.5Å; T318-L322 WeakPolarHBondContact O-CG 3.42Å; T318-L322 PolarHBondContact O-N 2.89Å; T318-T807 HydrophobicContact CG2-CG2 3.65Å
319	C	86	Confident	83.2	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.007	20%	0.202	C	C	.	.	H	α-helix	trans	-61.7	-47.6	177.4	-172.6	0	0	0	0	111.9	V315 I316 T317 L322 G323 F762	V315-C319 WeakPolarHBondContact O-CB 3.43Å; V315-C319 PolarHBondContact O-N 2.73Å; I316-C319 PolarHBondContact O-N 3.22Å; T317-C319 PolarHBondContact O-N 3.02Å; C319-L322 PolarHBondContact O-N 3.12Å; C319-G323 PolarHBondContact O-N 3.49Å; C319-F762 HydrophobicContact CB-CE1 3.87Å; C319-F762 HydrophobicContact CB-CZ 4.3Å
320	L	85.8	Confident	83.5	Confident	8 Å²	8	41.9 Å²	41.9	4%	0.042	22%	0.215	C	C	.	.	H	α-helix	trans	-63	-43.6	177.5	-67.1	174.3	0	0	0	111.5	I316 T317 L322 G323 T324 L337 V340 I755 M759	I316-L320 HydrophobicContact CG2-CD1 3.69Å; I316-L320 HydrophobicContact CG2-CG 4.18Å; I316-L320 WeakPolarHBondContact O-CB 3.28Å; I316-L320 VanDerWaalsContact O-CG 3.31Å; I316-L320 WeakPolarHBondContact O-CG 3.43Å; I316-L320 PolarHBondContact O-N 3.24Å; T317-L320 PolarHBondContact O-N 3.14Å; L320-L322 VanDerWaalsContact C-N 3.35Å; L320-L322 PolarHBondContact O-N 3.18Å; L320-G323 CarbonylContact O-C 3.54Å; L320-G323 WeakPolarHBondContact O-CA 3.13Å; L320-G323 PolarHBondContact O-N 3.37Å; L320-G323 VanDerWaalsContact O-N 3.16Å; L320-T324 PolarHBondContact O-N 3.44Å; L320-T324 PolarHBondContact O-OG1 3.12Å; L320-T324 VanDerWaalsContact O-OG1 3.07Å; L320-L337 HydrophobicContact CB-CB 4.14Å; L320-L337 HydrophobicContact CD1-CB 4.41Å; L320-V340 HydrophobicContact CD2-CB 4.12Å; L320-V340 HydrophobicContact CD2-CG1 4.32Å; L320-I755 HydrophobicContact CD2-CG2 4.17Å; L320-M759 HydrophobicContact CD2-CE 4.27Å; L320-M759 HydrophobicContact CD2-SD 3.85Å; L320-M759 HydrophobicContact CG-SD 4.27Å
321	A	84.2	Confident	84.1	Confident	43 Å²	43	45 Å²	45	36%	0.355	23%	0.231	S	C	.	.	H	α-helix	trans	-62.3	-41	177.9	0	0	0	0	0	112.4	T317 T318 T324 R325 L337	T317-A321 VanDerWaalsContact O-CB 3.29Å; T317-A321 WeakPolarHBondContact O-CB 3.42Å; T317-A321 PolarHBondContact O-N 3.21Å; T318-A321 PolarHBondContact O-N 3.46Å; A321-T324 PolarHBondContact O-N 2.88Å; A321-R325 PolarHBondContact O-N 2.89Å; A321-L337 HydrophobicContact CB-CD2 4.41Å
322	L	83.3	Confident	84.8	Confident	46 Å²	46	44.9 Å²	44.9	24%	0.241	23%	0.23	C	C	.	.	H	α-helix	trans	-67.4	-37.8	174.2	-70.4	162.7	0	0	0	111.9	T318 C319 L320 R325 R326 F811	T318-L322 HydrophobicContact CG2-CD1 3.84Å; T318-L322 WeakPolarHBondContact O-CB 3.11Å; T318-L322 VanDerWaalsContact O-CD1 3.3Å; T318-L322 WeakPolarHBondContact O-CD1 3.5Å; T318-L322 WeakPolarHBondContact O-CG 3.42Å; T318-L322 PolarHBondContact O-N 2.89Å; C319-L322 PolarHBondContact O-N 3.12Å; L320-L322 VanDerWaalsContact C-N 3.35Å; L320-L322 PolarHBondContact O-N 3.18Å; L322-R325 PolarHBondContact O-N 3.04Å; L322-R326 PolarHBondContact O-N 2.65Å; L322-F811 HydrophobicContact CD1-CE1 4.06Å; L322-F811 HydrophobicContact CD1-CE2 3.62Å; L322-F811 HydrophobicContact CD1-CZ 3.24Å; L322-F811 HydrophobicContact CD2-CE1 4.31Å; L322-F811 HydrophobicContact CD2-CZ 3.92Å; L322-F811 HydrophobicContact CG-CZ 4.09Å
323	G	83.6	Confident	85.2	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.8	-50.8	171.6	0	0	0	0	0	112.4	C319 L320 R325 R326 M327 I755	C319-G323 PolarHBondContact O-N 3.49Å; L320-G323 CarbonylContact O-C 3.54Å; L320-G323 WeakPolarHBondContact O-CA 3.13Å; L320-G323 PolarHBondContact O-N 3.37Å; L320-G323 VanDerWaalsContact O-N 3.16Å; G323-R325 VanDerWaalsContact C-N 3.26Å; G323-R325 PolarHBondContact O-N 3.44Å; G323-R326 WeakPolarHBondContact O-CA 3.33Å; G323-R326 WeakPolarHBondContact O-CB 3.46Å; G323-R326 PolarHBondContact O-N 3.01Å; G323-M327 PolarHBondContact O-N 2.82Å; G323-I755 VanDerWaalsContact CA-CD1 3.44Å
324	T	84.6	Confident	85.7	Confident	23 Å²	23	45.6 Å²	45.6	14%	0.141	23%	0.23	C	C	.	.	H	α-helix	trans	-55.3	-41.6	173.7	-61.8	0	0	0	0	111.5	L320 A321 R326 M327 A328 V334 L337 V340	L320-T324 PolarHBondContact O-N 3.44Å; L320-T324 PolarHBondContact O-OG1 3.12Å; L320-T324 VanDerWaalsContact O-OG1 3.07Å; A321-T324 PolarHBondContact O-N 2.88Å; T324-R326 PolarHBondContact O-N 3.36Å; T324-M327 PolarHBondContact O-N 2.89Å; T324-A328 WeakPolarHBondContact O-CB 3.36Å; T324-A328 PolarHBondContact O-N 3Å; T324-V334 HydrophobicContact CG2-CB 3.93Å; T324-L337 HydrophobicContact CG2-CD2 4.5Å; T324-L337 WeakPolarHBondContact OG1-CD2 3.49Å; T324-V340 VanDerWaalsContact OG1-CG2 3.31Å; T324-V340 WeakPolarHBondContact OG1-CG2 3.48Å
325	R	83.4	Confident	85.9	Confident	161 Å²	161	48.2 Å²	48.2	61%	0.608	23%	0.232	S	C	*	.	H	α-helix	trans	-65.3	-36.9	176.3	-170.1	178.7	177.7	-173.4	-0	112.7	A321 L322 G323 R329	A321-R325 PolarHBondContact O-N 2.89Å; L322-R325 PolarHBondContact O-N 3.04Å; G323-R325 VanDerWaalsContact C-N 3.26Å; G323-R325 PolarHBondContact O-N 3.44Å; R325-R329 PolarHBondContact O-N 3.39Å
326	R	85	Confident	85.5	Confident	60 Å²	60	49.9 Å²	49.9	23%	0.226	24%	0.244	C	C	.	.	H	α-helix	trans	-67.6	-43.3	174	-77	-174.6	-82	169.7	-15.9	111.6	L322 G323 T324 R329 K330 E751 G810	L322-R326 PolarHBondContact O-N 2.65Å; G323-R326 WeakPolarHBondContact O-CA 3.33Å; G323-R326 WeakPolarHBondContact O-CB 3.46Å; G323-R326 PolarHBondContact O-N 3.01Å; T324-R326 PolarHBondContact O-N 3.36Å; R326-R329 WeakPolarHBondContact O-CB 3.27Å; R326-R329 PolarHBondContact O-N 3.24Å; R326-K330 PolarHBondContact O-N 2.85Å; R326-E751 WeakPolarHBondContact CD-OE1 3.49Å; R326-E751 IonicContact CZ-OE1 3.66Å; R326-E751 VanDerWaalsContact CZ-OE1 3.27Å; R326-E751 IonicContact NE-OE1 2.84Å; R326-E751 PolarHBondContact NE-OE1 3.48Å; R326-E751 IonicContact NH1-OE1 3.37Å; R326-E751 PolarHBondContact NH1-OE1 3.43Å; R326-G810 PolarHBondContact NH2-O 3.4Å
327	M	87.7	Confident	85.3	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-61.5	-42	174.6	-72.9	-176.5	178	0	0	111.9	G323 T324 R329 K330 N331 A332 V334 V340 L343 A748 E751 I755	G323-M327 PolarHBondContact O-N 2.82Å; T324-M327 PolarHBondContact O-N 2.89Å; M327-R329 VanDerWaalsContact C-N 3.26Å; M327-R329 PolarHBondContact O-N 3.36Å; M327-K330 CarbonylContact O-C 3.06Å; M327-K330 VanDerWaalsContact O-C 3.3Å; M327-K330 VanDerWaalsContact O-CA 3.31Å; M327-K330 WeakPolarHBondContact O-CA 3.48Å; M327-K330 WeakPolarHBondContact O-CB 3.13Å; M327-K330 PolarHBondContact O-N 3.25Å; M327-N331 PolarHBondContact O-N 3.25Å; M327-A332 CarbonylContact C-O 3.53Å; M327-A332 HydrophobicContact CB-CB 4.04Å; M327-A332 WeakPolarHBondContact CB-O 3.33Å; M327-A332 PolarHBondContact O-N 3.06Å; M327-V334 HydrophobicContact CB-CG2 4.24Å; M327-V334 HydrophobicContact SD-CG2 3.52Å; M327-V334 VanDerWaalsContact SD-CG2 3.52Å; M327-V340 HydrophobicContact CE-CB 4.31Å; M327-V340 HydrophobicContact CE-CG1 3.54Å; M327-V340 HydrophobicContact SD-CB 4.49Å; M327-V340 HydrophobicContact SD-CG1 4.07Å; M327-V340 HydrophobicContact SD-CG2 4.19Å; M327-L343 HydrophobicContact CE-CD2 4.14Å; M327-A748 WeakPolarHBondContact CE-O 3.3Å; M327-E751 HydrophobicContact CE-CB 3.8Å; M327-E751 HydrophobicContact CE-CG 4.05Å; M327-E751 HydrophobicContact CG-CB 4.22Å; M327-E751 HydrophobicContact CG-CG 3.99Å; M327-I755 HydrophobicContact CE-CD1 4.2Å
328	A	87.2	Confident	85.2	Confident	45 Å²	45	52.6 Å²	52.6	37%	0.372	26%	0.26	S	S	.	.	H	α-helix	trans	-61.3	-34.9	178.2	0	0	0	0	0	112.4	T324 K330 N331 A332	T324-A328 WeakPolarHBondContact O-CB 3.36Å; T324-A328 PolarHBondContact O-N 3Å; A328-K330 PolarHBondContact O-N 2.8Å; A328-N331 PolarHBondContact O-N 3.42Å; A328-N331 VanDerWaalsContact O-N 3.09Å; A328-A332 VanDerWaalsContact CA-O 3.31Å; A328-A332 WeakPolarHBondContact CA-O 3.37Å; A328-A332 PolarHBondContact N-O 3.4Å; A328-A332 VanDerWaalsContact N-O 3.09Å
329	R	87.5	Confident	85.3	Confident	188 Å²	188	50 Å²	50	71%	0.709	24%	0.244	S	C	*	.	H	α-helix	trans	-66.6	-22.5	172.5	-71.8	178.4	176.3	173.4	-1.1	113.4	R325 R326 M327 N331	R325-R329 PolarHBondContact O-N 3.39Å; R326-R329 WeakPolarHBondContact O-CB 3.27Å; R326-R329 PolarHBondContact O-N 3.24Å; M327-R329 VanDerWaalsContact C-N 3.26Å; M327-R329 PolarHBondContact O-N 3.36Å; R329-N331 VanDerWaalsContact C-N 3.33Å
330	K	86.3	Confident	85.3	Confident	81 Å²	81	50 Å²	50	35%	0.352	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	21.7	172.8	-65.4	177	171.4	173.9	0	111.7	R326 M327 A328 A332 T744 A747 E751	R326-K330 PolarHBondContact O-N 2.85Å; M327-K330 CarbonylContact O-C 3.06Å; M327-K330 VanDerWaalsContact O-C 3.3Å; M327-K330 VanDerWaalsContact O-CA 3.31Å; M327-K330 WeakPolarHBondContact O-CA 3.48Å; M327-K330 WeakPolarHBondContact O-CB 3.13Å; M327-K330 PolarHBondContact O-N 3.25Å; A328-K330 PolarHBondContact O-N 2.8Å; K330-A332 PolarHBondContact O-N 3.42Å; K330-T744 WeakPolarHBondContact O-CG2 3.49Å; K330-A747 HydrophobicContact CD-CB 4.37Å; K330-E751 IonicContact NZ-OE2 2.83Å; K330-E751 PolarHBondContact NZ-OE2 2.98Å
331	N	89.3	Confident	85.3	Confident	70 Å²	70	49.6 Å²	49.6	37%	0.374	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	10.7	-178.7	-53.2	-37.1	0	0	0	115.9	M327 A328 R329 A738 D739 T744	M327-N331 PolarHBondContact O-N 3.25Å; A328-N331 PolarHBondContact O-N 3.42Å; A328-N331 VanDerWaalsContact O-N 3.09Å; R329-N331 VanDerWaalsContact C-N 3.33Å; N331-A738 HydrophobicContact CB-CB 4.16Å; N331-A738 PolarHBondContact O-N 3.44Å; N331-D739 HydrophobicContact CB-CB 4Å; N331-D739 WeakPolarHBondContact CB-OD2 3.49Å; N331-D739 PolarHBondContact ND2-OD2 3.46Å; N331-T744 HydrophobicContact CB-CG2 4.36Å
332	A	91.7	Very high	85.4	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	100.8	173.9	0	0	0	0	0	110.3	M327 A328 K330 V334 M735 T744 A748	M327-A332 CarbonylContact C-O 3.53Å; M327-A332 HydrophobicContact CB-CB 4.04Å; M327-A332 WeakPolarHBondContact CB-O 3.33Å; M327-A332 PolarHBondContact O-N 3.06Å; A328-A332 VanDerWaalsContact CA-O 3.31Å; A328-A332 WeakPolarHBondContact CA-O 3.37Å; A328-A332 PolarHBondContact N-O 3.4Å; A328-A332 VanDerWaalsContact N-O 3.09Å; K330-A332 PolarHBondContact O-N 3.42Å; A332-V334 PolarHBondContact O-N 3.03Å; A332-M735 HydrophobicContact CB-SD 3.96Å; A332-T744 HydrophobicContact CB-CG2 3.82Å; A332-A748 HydrophobicContact CB-CB 4.02Å
333	I	90.9	Very high	85.7	Confident	83 Å²	83	45.4 Å²	45.4	43%	0.426	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	103.8	179.9	-56.9	175.4	0	0	0	108.7	M735 V736 A738	I333-M735 CarbonylContact O-C 3.28Å; I333-M735 WeakPolarHBondContact O-CA 3.36Å; I333-V736 HydrophobicContact CB-CB 4.33Å; I333-V736 PolarHBondContact N-O 3.41Å; I333-V736 PolarHBondContact O-N 2.63Å; I333-A738 HydrophobicContact CD1-CB 3.94Å; I333-A738 HydrophobicContact CG1-CB 4.3Å
334	V	87.3	Confident	85.9	Confident	13 Å²	13	45.6 Å²	45.6	8%	0.079	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	125.6	177	-169	0	0	0	0	110.2	T324 M327 A332 S336 V340 M735	T324-V334 HydrophobicContact CG2-CB 3.93Å; M327-V334 HydrophobicContact CB-CG2 4.24Å; M327-V334 HydrophobicContact SD-CG2 3.52Å; M327-V334 VanDerWaalsContact SD-CG2 3.52Å; A332-V334 PolarHBondContact O-N 3.03Å; V334-S336 WeakPolarHBondContact CG1-O 3.49Å; V334-V340 HydrophobicContact CB-CG2 4.19Å; V334-V340 HydrophobicContact CG1-CG2 3.83Å; V334-V340 HydrophobicContact CG2-CG2 4.14Å; V334-M735 HydrophobicContact CG2-CE 4.4Å; V334-M735 HydrophobicContact CG2-CG 4.27Å
335	R	83.1	Confident	86.1	Confident	91 Å²	91	44.6 Å²	44.6	34%	0.343	21%	0.21	S	C	.	.	S	Bend	trans	-88.9	-33.2	179.6	-66.5	-179.9	53.9	133.3	5.2	112.5	S115 K730 S731 S733 D734	S115-R335 PolarHBondContact OG-NH2 2.96Å; R335-K730 WeakPolarHBondContact CD-O 3.48Å; R335-K730 PolarHBondContact NE-O 2.95Å; R335-K730 PolarHBondContact NH1-O 3.15Å; R335-S731 VanDerWaalsContact NH1-CA 3.27Å; R335-S733 WeakPolarHBondContact CD-O 3.3Å; R335-D734 WeakPolarHBondContact CB-O 3.47Å; R335-D734 PolarHBondContact N-O 3.27Å
336	S	77.5	Confident	86.6	Confident	40 Å²	40	36.9 Å²	36.9	28%	0.28	18%	0.181	S	C	.	.	S	Bend	trans	-113.5	117.1	-179.8	175.8	0	0	0	0	110.4	V334 S339	V334-S336 WeakPolarHBondContact CG1-O 3.49Å; S336-S339 VanDerWaalsContact CB-OG 3.28Å; S336-S339 WeakPolarHBondContact CB-OG 3.32Å; S336-S339 WeakPolarHBondContact O-CB 3.39Å; S336-S339 PolarHBondContact O-N 3.37Å; S336-S339 PolarHBondContact OG-OG 2.87Å
337	L	80.1	Confident	87.1	Confident	44 Å²	44	35 Å²	35	23%	0.23	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-43.6	-176	-66	-179.1	0	0	0	113.4	T317 L320 A321 T324 S339 V340	T317-L337 HydrophobicContact CG2-CD1 4.48Å; L320-L337 HydrophobicContact CB-CB 4.14Å; L320-L337 HydrophobicContact CD1-CB 4.41Å; A321-L337 HydrophobicContact CB-CD2 4.41Å; T324-L337 HydrophobicContact CG2-CD2 4.5Å; T324-L337 WeakPolarHBondContact OG1-CD2 3.49Å; L337-S339 PolarHBondContact O-N 3.29Å; L337-V340 WeakPolarHBondContact O-CB 2.89Å; L337-V340 VanDerWaalsContact O-CG2 3.31Å; L337-V340 WeakPolarHBondContact O-CG2 3.24Å; L337-V340 PolarHBondContact O-N 3.37Å
338	P	80.9	Confident	87.5	Confident	48 Å²	48	35 Å²	35	31%	0.312	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-28.2	176.6	-27.2	37.7	0	0	0	114.1	T248 V340 E341 T342	T248-P338 HydrophobicContact CG2-CB 3.65Å; P338-V340 PolarHBondContact O-N 3.1Å; P338-E341 WeakPolarHBondContact O-CB 3.48Å; P338-E341 PolarHBondContact O-N 3.08Å; P338-T342 PolarHBondContact O-N 3.42Å; P338-T342 PolarHBondContact O-OG1 3.1Å
339	S	85.5	Confident	87.9	Confident	3 Å²	3	32.9 Å²	32.9	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-67.7	-19.3	-175.8	-49.7	0	0	0	0	113	S336 L337 E341 T342 L343 D734	S336-S339 VanDerWaalsContact CB-OG 3.28Å; S336-S339 WeakPolarHBondContact CB-OG 3.32Å; S336-S339 WeakPolarHBondContact O-CB 3.39Å; S336-S339 PolarHBondContact O-N 3.37Å; S336-S339 PolarHBondContact OG-OG 2.87Å; L337-S339 PolarHBondContact O-N 3.29Å; S339-E341 VanDerWaalsContact C-N 3.26Å; S339-E341 PolarHBondContact O-N 3.49Å; S339-T342 PolarHBondContact O-N 3.01Å; S339-L343 WeakPolarHBondContact O-CB 3.45Å; S339-L343 PolarHBondContact O-N 3.29Å; S339-L343 VanDerWaalsContact O-N 3.1Å; S339-D734 PolarHBondContact OG-OD1 3.49Å
340	V	86	Confident	88.3	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-56.1	-40.6	169.4	177.2	0	0	0	0	111.4	L320 T324 M327 V334 L337 P338 G752 I755	L320-V340 HydrophobicContact CD2-CB 4.12Å; L320-V340 HydrophobicContact CD2-CG1 4.32Å; T324-V340 VanDerWaalsContact OG1-CG2 3.31Å; T324-V340 WeakPolarHBondContact OG1-CG2 3.48Å; M327-V340 HydrophobicContact CE-CB 4.31Å; M327-V340 HydrophobicContact CE-CG1 3.54Å; M327-V340 HydrophobicContact SD-CB 4.49Å; M327-V340 HydrophobicContact SD-CG1 4.07Å; M327-V340 HydrophobicContact SD-CG2 4.19Å; V334-V340 HydrophobicContact CB-CG2 4.19Å; V334-V340 HydrophobicContact CG1-CG2 3.83Å; V334-V340 HydrophobicContact CG2-CG2 4.14Å; L337-V340 WeakPolarHBondContact O-CB 2.89Å; L337-V340 VanDerWaalsContact O-CG2 3.31Å; L337-V340 WeakPolarHBondContact O-CG2 3.24Å; L337-V340 PolarHBondContact O-N 3.37Å; P338-V340 PolarHBondContact O-N 3.1Å; V340-G752 VanDerWaalsContact O-CA 3.24Å; V340-G752 WeakPolarHBondContact O-CA 3.32Å; V340-I755 HydrophobicContact CG1-CB 4.42Å; V340-I755 HydrophobicContact CG1-CD1 3.29Å; V340-I755 HydrophobicContact CG1-CG1 4.43Å; V340-I755 HydrophobicContact CG1-CG2 4.18Å
341	E	85.6	Confident	88.6	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-76.4	-47.6	179.2	-176.9	-91.2	164.1	0	0	112	L250 P338 S339 L343 G344 C345 Y756 M759 R824	L250-E341 HydrophobicContact CB-CB 4.43Å; L250-E341 VanDerWaalsContact CB-CD 3.47Å; L250-E341 HydrophobicContact CB-CG 3.84Å; L250-E341 VanDerWaalsContact CB-OE2 3.25Å; L250-E341 WeakPolarHBondContact CB-OE2 3.38Å; L250-E341 HydrophobicContact CD2-CB 4.29Å; L250-E341 HydrophobicContact CD2-CG 4.11Å; L250-E341 HydrophobicContact CG-CG 4.48Å; L250-E341 PolarHBondContact N-OE2 3.01Å; P338-E341 WeakPolarHBondContact O-CB 3.48Å; P338-E341 PolarHBondContact O-N 3.08Å; S339-E341 VanDerWaalsContact C-N 3.26Å; S339-E341 PolarHBondContact O-N 3.49Å; E341-L343 PolarHBondContact O-N 3.16Å; E341-L343 VanDerWaalsContact O-N 3.07Å; E341-G344 PolarHBondContact O-N 3.26Å; E341-C345 PolarHBondContact OE1-SG 3.42Å; E341-C345 VanDerWaalsContact OE1-SG 3.33Å; E341-Y756 HydrophobicContact CG-CD2 3.8Å; E341-Y756 WeakPolarHBondContact OE1-CD2 3.48Å; E341-M759 HydrophobicContact CB-CE 3.82Å; E341-M759 HydrophobicContact CG-CE 3.57Å; E341-R824 IonicContact OE1-CZ 3.53Å; E341-R824 IonicContact OE1-NE 3.04Å; E341-R824 IonicContact OE1-NH2 3.61Å; E341-R824 PolarHBondContact OE1-NH2 2.78Å
342	T	87.9	Confident	88.4	Confident	1 Å²	1	16.9 Å²	16.9	1%	0.006	9%	0.091	C	C	.	.	H	α-helix	trans	-52.6	-36.5	179.6	-48.6	0	0	0	0	110.1	T248 P249 P338 S339 G344 C345 T346 I699 E717 I718	T248-T342 WeakPolarHBondContact CB-OG1 3.45Å; T248-T342 WeakPolarHBondContact CG2-OG1 3.39Å; P249-T342 HydrophobicContact CG-CG2 4.47Å; P338-T342 PolarHBondContact O-N 3.42Å; P338-T342 PolarHBondContact O-OG1 3.1Å; S339-T342 PolarHBondContact O-N 3.01Å; T342-G344 VanDerWaalsContact C-N 3.32Å; T342-G344 PolarHBondContact O-N 2.64Å; T342-C345 CarbonylContact O-C 3.57Å; T342-C345 WeakPolarHBondContact O-CA 3.44Å; T342-C345 WeakPolarHBondContact O-CB 3.47Å; T342-C345 PolarHBondContact O-N 2.89Å; T342-T346 PolarHBondContact O-N 3.47Å; T342-I699 HydrophobicContact CG2-CG2 3.92Å; T342-E717 HydrophobicContact CG2-CB 3.78Å; T342-I718 VanDerWaalsContact C-CD1 3.42Å; T342-I718 HydrophobicContact CG2-CD1 3.83Å; T342-I718 HydrophobicContact CG2-CG1 3.59Å
343	L	89.3	Confident	88.1	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.8	-37	178.1	-157.7	82.6	0	0	0	113.8	M327 S339 E341 C345 T346 I718 I720 M735 A748 V749	M327-L343 HydrophobicContact CE-CD2 4.14Å; S339-L343 WeakPolarHBondContact O-CB 3.45Å; S339-L343 PolarHBondContact O-N 3.29Å; S339-L343 VanDerWaalsContact O-N 3.1Å; E341-L343 PolarHBondContact O-N 3.16Å; E341-L343 VanDerWaalsContact O-N 3.07Å; L343-C345 PolarHBondContact O-N 3.4Å; L343-T346 WeakPolarHBondContact CA-OG1 2.92Å; L343-T346 WeakPolarHBondContact O-CB 2.87Å; L343-T346 PolarHBondContact O-N 3.48Å; L343-T346 PolarHBondContact O-OG1 3.48Å; L343-I718 HydrophobicContact CB-CD1 3.8Å; L343-I718 HydrophobicContact CD1-CD1 3.52Å; L343-I718 HydrophobicContact CD1-CG2 3.85Å; L343-I718 HydrophobicContact CG-CD1 4.16Å; L343-I720 HydrophobicContact CD1-CD1 4.42Å; L343-M735 HydrophobicContact CD1-CE 3.36Å; L343-M735 HydrophobicContact CD2-CE 3.45Å; L343-M735 VanDerWaalsContact CD2-CE 3.45Å; L343-M735 HydrophobicContact CG-CE 4Å; L343-A748 HydrophobicContact CD2-CB 3.35Å; L343-A748 VanDerWaalsContact CD2-O 3.28Å; L343-A748 WeakPolarHBondContact CD2-O 3.49Å; L343-V749 HydrophobicContact CD1-CG2 4.41Å; L343-V749 HydrophobicContact CD2-CG2 4.38Å; L343-V749 HydrophobicContact CG-CG2 3.92Å
344	G	86.4	Confident	87.4	Confident	5 Å²	5	13.7 Å²	13.7	5%	0.052	8%	0.075	C	C	.	.	H	α-helix	trans	-64.2	-25.3	173.4	0	0	0	0	0	113.3	E341 T342 R753	E341-G344 PolarHBondContact O-N 3.26Å; T342-G344 VanDerWaalsContact C-N 3.32Å; T342-G344 PolarHBondContact O-N 2.64Å; G344-R753 VanDerWaalsContact O-CG 3.3Å; G344-R753 WeakPolarHBondContact O-CG 3.5Å
345	C	90.2	Very high	86.8	Confident	1 Å²	1	13.2 Å²	13.2	1%	0.007	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-0	178.9	-54.6	0	0	0	0	113.7	E341 T342 L343 T347 I699 R824	E341-C345 PolarHBondContact OE1-SG 3.42Å; E341-C345 VanDerWaalsContact OE1-SG 3.33Å; T342-C345 CarbonylContact O-C 3.57Å; T342-C345 WeakPolarHBondContact O-CA 3.44Å; T342-C345 WeakPolarHBondContact O-CB 3.47Å; T342-C345 PolarHBondContact O-N 2.89Å; L343-C345 PolarHBondContact O-N 3.4Å; C345-T347 PolarHBondContact O-N 3.31Å; C345-I699 HydrophobicContact CB-CG1 4.23Å; C345-I699 HydrophobicContact CB-CG2 4.36Å; C345-I699 WeakPolarHBondContact O-CB 3.24Å; C345-R824 HydrophobicContact CB-CG 4.49Å; C345-R824 PolarHBondContact SG-NE 3.37Å
346	T	94	Very high	86.5	Confident	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.056	C	C	.	.			trans	-57.2	123.3	-175.4	-53.3	0	0	0	0	111.2	T342 L343 I349 A701 P823	T342-T346 PolarHBondContact O-N 3.47Å; L343-T346 WeakPolarHBondContact CA-OG1 2.92Å; L343-T346 WeakPolarHBondContact O-CB 2.87Å; L343-T346 PolarHBondContact O-N 3.48Å; L343-T346 PolarHBondContact O-OG1 3.48Å; T346-I349 HydrophobicContact CG2-CG1 3.78Å; T346-A701 HydrophobicContact CG2-CB 3.72Å; T346-P823 WeakPolarHBondContact O-CG 3.22Å
347	T	95	Very high	86.9	Confident	20 Å²	20	7 Å²	7	12%	0.123	4%	0.043	C	C	.	.			trans	-102.9	-35.3	178.9	55.7	0	0	0	0	111.9	C345 I621 R622 E698 I699 P823	C345-T347 PolarHBondContact O-N 3.31Å; T347-I621 WeakPolarHBondContact O-CA 3.31Å; T347-R622 PolarHBondContact O-N 3.09Å; T347-E698 WeakPolarHBondContact CB-OE2 3.39Å; T347-E698 WeakPolarHBondContact CG2-OE2 3.4Å; T347-E698 WeakPolarHBondContact OG1-CA 3.45Å; T347-E698 WeakPolarHBondContact OG1-CB 3.47Å; T347-E698 PolarHBondContact OG1-OE2 2.98Å; T347-I699 PolarHBondContact N-O 3.38Å; T347-I699 PolarHBondContact OG1-N 2.99Å; T347-I699 PolarHBondContact OG1-O 2.81Å; T347-P823 HydrophobicContact CG2-CB 3.84Å; T347-P823 HydrophobicContact CG2-CG 4.29Å
348	V	95.8	Very high	87.1	Confident	1 Å²	1	4.9 Å²	4.9	1%	0.006	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	130.8	-176.8	-173.9	0	0	0	0	109.3	R622 I624 L693 E698 I699 S700 A701	V348-R622 CarbonylContact C-O 3.5Å; V348-R622 VanDerWaalsContact CA-O 3.28Å; V348-R622 WeakPolarHBondContact CA-O 3.28Å; V348-R622 HydrophobicContact CG2-CB 4.3Å; V348-I624 HydrophobicContact CG1-CD1 3.69Å; V348-I624 HydrophobicContact CG1-CG1 3.92Å; V348-L693 HydrophobicContact CB-CD1 4.36Å; V348-L693 HydrophobicContact CG1-CD1 3.9Å; V348-L693 HydrophobicContact CG1-CD2 4.38Å; V348-L693 HydrophobicContact CG2-CD2 4.28Å; V348-E698 HydrophobicContact CG2-CB 4.1Å; V348-E698 HydrophobicContact CG2-CG 4.24Å; V348-I699 PolarHBondContact N-O 2.98Å; V348-S700 WeakPolarHBondContact O-CA 3.49Å; V348-A701 PolarHBondContact O-N 3.44Å
349	I	96.1	Very high	87	Confident	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	108.6	170.5	-61	171	0	0	0	107.9	T346 I621 R622 V623 I624 A701 T703 F742 I745	T346-I349 HydrophobicContact CG2-CG1 3.78Å; I349-I621 HydrophobicContact CD1-CG2 3.84Å; I349-I621 HydrophobicContact CG1-CG2 3.84Å; I349-R622 PolarHBondContact N-O 3.27Å; I349-V623 CarbonylContact O-C 3.54Å; I349-V623 WeakPolarHBondContact O-CA 3.26Å; I349-I624 PolarHBondContact O-N 3.12Å; I349-A701 CarbonylContact C-O 3.57Å; I349-A701 WeakPolarHBondContact CA-O 3.09Å; I349-A701 HydrophobicContact CG1-CB 4.31Å; I349-T703 HydrophobicContact CG2-CG2 4.34Å; I349-F742 HydrophobicContact CG2-CE2 3.96Å; I349-F742 HydrophobicContact CG2-CZ 4.18Å; I349-I745 HydrophobicContact CD1-CG2 3.97Å
350	C	95.3	Very high	86.7	Confident	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	115.6	168.3	-68.5	0	0	0	0	108.2	I624 I626 L693 A701 M702 T703	C350-I624 CarbonylContact C-O 3.6Å; C350-I624 VanDerWaalsContact CA-O 3.31Å; C350-I624 WeakPolarHBondContact CA-O 3.37Å; C350-I626 HydrophobicContact CB-CD1 3.76Å; C350-L693 WeakPolarHBondContact SG-CD1 3.33Å; C350-A701 PolarHBondContact N-O 3.2Å; C350-M702 HydrophobicContact CB-SD 3.43Å; C350-M702 WeakPolarHBondContact CB-SD 3.35Å; C350-M702 CarbonylContact O-C 3.53Å; C350-M702 VanDerWaalsContact O-CA 3.3Å; C350-M702 WeakPolarHBondContact O-CA 3.25Å; C350-T703 PolarHBondContact O-N 3.34Å
351	S	91.9	Very high	86.6	Confident	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.8	-174.3	-165.9	0	0	0	0	112.5	T356 I624 V625 I626 T703	S351-T356 WeakPolarHBondContact OG-CG2 3.41Å; S351-I624 PolarHBondContact N-O 3.11Å; S351-V625 WeakPolarHBondContact O-CA 3.4Å; S351-I626 PolarHBondContact O-N 3.1Å; S351-T703 WeakPolarHBondContact CA-OG1 3.42Å; S351-T703 WeakPolarHBondContact CB-OG1 3.32Å; S351-T703 PolarHBondContact OG-OG1 2.84Å
352	D	86.5	Confident	86.7	Confident	4 Å²	4	8.9 Å²	8.9	2%	0.021	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	149.9	166.1	-162.1	78	0	0	0	110.9	T354 T356 L357 I626 K686 T703	D352-T354 PolarHBondContact OD2-N 2.85Å; D352-T356 WeakPolarHBondContact O-CB 3.5Å; D352-L357 WeakPolarHBondContact O-CG 3.23Å; D352-I626 WeakPolarHBondContact CA-O 3.41Å; D352-I626 VanDerWaalsContact OD1-O 3.1Å; D352-K686 IonicContact OD1-NZ 2.85Å; D352-K686 PolarHBondContact OD1-NZ 3.19Å; D352-T703 PolarHBondContact N-OG1 3.12Å; D352-T703 VanDerWaalsContact N-OG1 3.08Å
353	K	85	Confident	86.8	Confident	5 Å²	5	9 Å²	9	2%	0.022	5%	0.05	C	C	.	.	I	π-helix	trans	-82.3	-51.3	178.9	-174.2	-123	57.4	163.3	0	111.4	L357 T358 D603 V625 T627 D629 I637	K353-L357 PolarHBondContact O-N 2.8Å; K353-L357 VanDerWaalsContact O-N 3.14Å; K353-T358 HydrophobicContact CD-CG2 4.01Å; K353-T358 HydrophobicContact CG-CG2 4.02Å; K353-T358 PolarHBondContact O-N 3.48Å; K353-T358 PolarHBondContact O-OG1 2.95Å; K353-T358 VanDerWaalsContact O-OG1 3.07Å; K353-D603 IonicContact NZ-OD2 2.77Å; K353-D603 PolarHBondContact NZ-OD2 2.7Å; K353-D603 VanDerWaalsContact NZ-OD2 3.16Å; K353-V625 HydrophobicContact CB-CG1 4.13Å; K353-T627 HydrophobicContact CB-CG2 4.44Å; K353-T627 WeakPolarHBondContact CB-OG1 3.41Å; K353-D629 WeakPolarHBondContact CE-OD2 3.48Å; K353-D629 IonicContact NZ-OD2 3.72Å; K353-D629 PolarHBondContact NZ-OD2 3.47Å; K353-I637 HydrophobicContact CD-CD1 3.68Å; K353-I637 HydrophobicContact CG-CD1 4.45Å; K353-I637 HydrophobicContact CG-CG2 4.33Å
354	T	75.7	Confident	87	Confident	11 Å²	11	9.1 Å²	9.1	7%	0.067	5%	0.051	C	C	.	.	I	π-helix	trans	-77	129.4	-168.5	-56.8	0	0	0	0	109.2	D352 T356 T358 N360	D352-T354 PolarHBondContact OD2-N 2.85Å; T354-T356 PolarHBondContact O-N 3.21Å; T354-T358 WeakPolarHBondContact CA-OG1 3.31Å; T354-N360 HydrophobicContact CG2-CB 4.22Å; T354-N360 WeakPolarHBondContact CG2-OD1 3.43Å
355	G	75.2	Confident	87.2	Confident	3 Å²	3	9.9 Å²	9.9	3%	0.031	6%	0.055	C	C	.	.	I	π-helix	trans	75.7	-26.2	179.1	0	0	0	0	0	115	T358 R606	G355-T358 CarbonylContact C-O 3.56Å; G355-T358 VanDerWaalsContact C-O 3.3Å; G355-T358 WeakPolarHBondContact CA-O 3.4Å; G355-T358 PolarHBondContact N-OG1 3.42Å; G355-R606 PolarHBondContact O-NH2 3.23Å
356	T	77.4	Confident	87.3	Confident	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.065	C	C	.	.	I	π-helix	trans	-91.5	-69.7	175.8	-49.9	0	0	0	0	112.1	S351 D352 T354 R606 T703 M722 F742	S351-T356 WeakPolarHBondContact OG-CG2 3.41Å; D352-T356 WeakPolarHBondContact O-CB 3.5Å; T354-T356 PolarHBondContact O-N 3.21Å; T356-R606 WeakPolarHBondContact O-CD 3.35Å; T356-R606 PolarHBondContact O-NE 3.04Å; T356-T703 WeakPolarHBondContact CG2-OG1 3.5Å; T356-M722 HydrophobicContact CG2-CE 4.15Å; T356-M722 HydrophobicContact CG2-SD 3.73Å; T356-M722 PolarHBondContact OG1-SD 3.48Å; T356-M722 VanDerWaalsContact OG1-SD 3.34Å; T356-F742 HydrophobicContact CG2-CD2 4.45Å
357	L	84.7	Confident	87.4	Confident	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.065	C	C	.	.	I	π-helix	trans	-79.7	-27.3	179.7	-61.6	174	0	0	0	111.9	D352 K353 P605 R606 V609 V625 I641 F742	D352-L357 WeakPolarHBondContact O-CG 3.23Å; K353-L357 PolarHBondContact O-N 2.8Å; K353-L357 VanDerWaalsContact O-N 3.14Å; L357-P605 WeakPolarHBondContact O-CA 3.39Å; L357-R606 PolarHBondContact O-N 2.97Å; L357-V609 HydrophobicContact CD2-CG1 3.73Å; L357-V609 HydrophobicContact CD2-CG2 4.31Å; L357-V625 HydrophobicContact CD1-CG1 4.18Å; L357-V625 HydrophobicContact CD1-CG2 3.63Å; L357-I641 HydrophobicContact CD1-CD1 4.09Å; L357-F742 HydrophobicContact CD2-CB 4.38Å; L357-F742 HydrophobicContact CD2-CD2 3.57Å; L357-F742 HydrophobicContact CD2-CE2 3.94Å; L357-F742 HydrophobicContact CD2-CG 3.92Å
358	T	84	Confident	87.4	Confident	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.059	C	C	.	.	B	Isolated β-bridge	trans	-105.1	165.9	175.2	66.4	0	0	0	0	111.8	K353 T354 G355 N360 D603 P604 R606 I637	K353-T358 HydrophobicContact CD-CG2 4.01Å; K353-T358 HydrophobicContact CG-CG2 4.02Å; K353-T358 PolarHBondContact O-N 3.48Å; K353-T358 PolarHBondContact O-OG1 2.95Å; K353-T358 VanDerWaalsContact O-OG1 3.07Å; T354-T358 WeakPolarHBondContact CA-OG1 3.31Å; G355-T358 CarbonylContact C-O 3.56Å; G355-T358 VanDerWaalsContact C-O 3.3Å; G355-T358 WeakPolarHBondContact CA-O 3.4Å; G355-T358 PolarHBondContact N-OG1 3.42Å; T358-N360 PolarHBondContact O-N 2.85Å; T358-D603 VanDerWaalsContact CB-CG 3.41Å; T358-D603 WeakPolarHBondContact CB-OD1 3.45Å; T358-D603 WeakPolarHBondContact CB-OD2 3.28Å; T358-D603 VanDerWaalsContact OG1-CG 3.22Å; T358-D603 PolarHBondContact OG1-OD1 3.35Å; T358-D603 PolarHBondContact OG1-OD2 3.23Å; T358-P604 VanDerWaalsContact CA-O 3.31Å; T358-P604 WeakPolarHBondContact CA-O 3.48Å; T358-P604 WeakPolarHBondContact CB-O 3.24Å; T358-R606 PolarHBondContact O-NE 3.25Å; T358-I637 HydrophobicContact CG2-CD1 4.35Å; T358-I637 HydrophobicContact CG2-CG2 4.48Å
359	T	80.1	Confident	87.2	Confident	16 Å²	16	11.6 Å²	11.6	10%	0.098	6%	0.059	C	C	.	.			trans	-75.4	-14.1	178.5	58.1	0	0	0	0	112.9	Q361 S392 P604 R606	T359-Q361 PolarHBondContact O-N 2.82Å; T359-Q361 PolarHBondContact OG1-N 3.05Å; T359-S392 PolarHBondContact OG1-O 2.69Å; T359-P604 PolarHBondContact N-O 3.25Å; T359-R606 HydrophobicContact CG2-CG 4.02Å
360	N	77.9	Confident	86.9	Confident	49 Å²	49	11.7 Å²	11.7	26%	0.262	6%	0.06	S	C	.	.	S	Bend	trans	55.2	27.3	-167	-161.7	14.3	0	0	0	112	S185 T354 T358 D603	S185-N360 PolarHBondContact OG-OD1 3.3Å; T354-N360 HydrophobicContact CG2-CB 4.22Å; T354-N360 WeakPolarHBondContact CG2-OD1 3.43Å; T358-N360 PolarHBondContact O-N 2.85Å; N360-D603 WeakPolarHBondContact CA-OD1 3.42Å; N360-D603 PolarHBondContact N-OD1 3.35Å
361	Q	83.6	Confident	86.3	Confident	42 Å²	42	11.8 Å²	11.8	20%	0.196	6%	0.061	C	C	.	.			trans	-121.8	93	179.9	-63.6	-169	-7.5	0	0	108.7	T359 T363 Y394 D603 P604	T359-Q361 PolarHBondContact O-N 2.82Å; T359-Q361 PolarHBondContact OG1-N 3.05Å; Q361-T363 PolarHBondContact O-N 2.77Å; Q361-T363 VanDerWaalsContact O-N 3.15Å; Q361-T363 PolarHBondContact O-OG1 3.02Å; Q361-Y394 HydrophobicContact CB-CD2 3.89Å; Q361-Y394 HydrophobicContact CB-CE2 3.75Å; Q361-Y394 HydrophobicContact CB-CG 4.34Å; Q361-Y394 HydrophobicContact CG-CD2 3.67Å; Q361-Y394 HydrophobicContact CG-CE2 3.67Å; Q361-Y394 HydrophobicContact CG-CG 4.48Å; Q361-D603 PolarHBondContact N-OD1 3.21Å; Q361-P604 WeakPolarHBondContact O-CD 3.23Å
362	M	87.7	Confident	85.3	Confident	28 Å²	28	16.2 Å²	16.2	14%	0.138	8%	0.084	C	C	.	.			trans	-54.4	122.5	179.3	-166.8	67.4	59	0	0	109.6	Y394 A445 A449 M601 V602 D603	M362-Y394 PolarHBondContact N-OH 3.08Å; M362-Y394 WeakPolarHBondContact O-CE1 3.33Å; M362-A445 HydrophobicContact CB-CB 4.09Å; M362-A449 HydrophobicContact CB-CB 4.23Å; M362-A449 HydrophobicContact CG-CB 4.08Å; M362-A449 WeakPolarHBondContact O-CB 3.32Å; M362-M601 HydrophobicContact CG-CB 4.19Å; M362-M601 HydrophobicContact CG-CG 3.92Å; M362-M601 HydrophobicContact CG-SD 3.73Å; M362-M601 HydrophobicContact SD-CB 4.27Å; M362-M601 HydrophobicContact SD-CG 3.87Å; M362-M601 HydrophobicContact SD-SD 4.34Å; M362-V602 VanDerWaalsContact SD-C 3.59Å; M362-D603 HydrophobicContact CE-CB 4.5Å
363	T	90.3	Very high	84.4	Confident	3 Å²	3	20.8 Å²	20.8	2%	0.018	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	135.3	-173.6	-56.7	0	0	0	0	110.2	Q361 C365 G391 M601 V602	Q361-T363 PolarHBondContact O-N 2.77Å; Q361-T363 VanDerWaalsContact O-N 3.15Å; Q361-T363 PolarHBondContact O-OG1 3.02Å; T363-C365 PolarHBondContact O-N 3.48Å; T363-G391 VanDerWaalsContact CG2-O 3.23Å; T363-G391 WeakPolarHBondContact CG2-O 3.45Å; T363-M601 CarbonylContact O-C 3.57Å; T363-M601 WeakPolarHBondContact O-CA 3.43Å; T363-M601 WeakPolarHBondContact O-CB 3.47Å; T363-V602 PolarHBondContact N-O 3.06Å; T363-V602 PolarHBondContact O-N 3.38Å
364	V	93.3	Very high	83.3	Confident	4 Å²	4	23.4 Å²	23.4	2%	0.024	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	121.5	172.5	-176.6	0	0	0	0	108.6	I389 A449 L450 L453 V599 M601	V364-I389 HydrophobicContact CG1-CD1 4.15Å; V364-I389 WeakPolarHBondContact O-CB 3.24Å; V364-A449 HydrophobicContact CG2-CB 4.22Å; V364-L450 HydrophobicContact CG2-CD2 4.24Å; V364-L453 HydrophobicContact CB-CB 4.3Å; V364-L453 HydrophobicContact CB-CD1 4.2Å; V364-L453 HydrophobicContact CB-CD2 4.35Å; V364-L453 HydrophobicContact CG1-CD1 4.08Å; V364-L453 HydrophobicContact CG1-CD2 4.06Å; V364-L453 HydrophobicContact CG2-CB 4.1Å; V364-L453 HydrophobicContact CG2-CD2 4.18Å; V364-V599 HydrophobicContact CG1-CB 4.1Å; V364-V599 HydrophobicContact CG1-CG1 4.48Å; V364-M601 HydrophobicContact CG2-CB 4.13Å; V364-M601 HydrophobicContact CG2-CE 4.26Å
365	C	90.4	Very high	82.5	Confident	21 Å²	21	32.2 Å²	32.2	14%	0.142	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-29.4	-179.4	-66.4	0	0	0	0	112.5	T363 I389 L563 G600 V602	T363-C365 PolarHBondContact O-N 3.48Å; C365-I389 PolarHBondContact O-N 2.89Å; C365-L563 HydrophobicContact CB-CD2 4.4Å; C365-G600 PolarHBondContact N-O 2.86Å; C365-V602 HydrophobicContact CB-CG1 4.42Å; C365-V602 VanDerWaalsContact SG-CG1 3.52Å
366	R	93.4	Very high	81.7	Confident	55 Å²	55	37.6 Å²	37.6	21%	0.208	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	152.8	174.8	-63.5	-164.2	-175.9	-109.8	-13.3	111.6	F387 E388 Y556 E561 L563 G600	R366-F387 VanDerWaalsContact CA-O 3.32Å; R366-F387 WeakPolarHBondContact CA-O 3.3Å; R366-E388 IonicContact CZ-OE1 3.31Å; R366-E388 IonicContact NH1-OE1 2.78Å; R366-E388 PolarHBondContact NH1-OE1 2.8Å; R366-E388 IonicContact NH2-OE1 3.83Å; R366-E388 PolarHBondContact NH2-OE1 2.76Å; R366-Y556 HydrophobicContact CB-CD2 4.28Å; R366-Y556 HydrophobicContact CB-CE2 3.54Å; R366-E561 WeakPolarHBondContact CD-OE2 3.41Å; R366-E561 WeakPolarHBondContact CG-OE2 3.23Å; R366-E561 IonicContact CZ-OE1 2.69Å; R366-E561 IonicContact CZ-OE2 3.87Å; R366-E561 VanDerWaalsContact NE-CD 3.28Å; R366-E561 IonicContact NE-OE1 2.56Å; R366-E561 PolarHBondContact NE-OE1 3.23Å; R366-E561 IonicContact NE-OE2 3.1Å; R366-E561 PolarHBondContact NE-OE2 3.31Å; R366-E561 IonicContact NH2-OE1 4Å; R366-E561 PolarHBondContact NH2-OE1 2.82Å; R366-L563 HydrophobicContact CB-CD1 3.79Å; R366-L563 HydrophobicContact CG-CD1 3.98Å; R366-G600 PolarHBondContact N-O 2.8Å; R366-G600 PolarHBondContact O-N 2.83Å
367	M	95.3	Very high	81.2	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	161.2	164.8	65.8	-173.7	172.7	0	0	109.5	F387 I389 V400 L415 L418 L453 M457 Y556 V598 V599	M367-F387 HydrophobicContact CE-CB 3.77Å; M367-F387 HydrophobicContact CE-CD2 4.27Å; M367-F387 HydrophobicContact CE-CG 3.99Å; M367-F387 HydrophobicContact CG-CB 3.8Å; M367-F387 HydrophobicContact CG-CD2 4.16Å; M367-F387 HydrophobicContact CG-CG 4.37Å; M367-F387 PolarHBondContact N-O 3.22Å; M367-F387 PolarHBondContact O-N 2.89Å; M367-I389 HydrophobicContact CB-CD1 4.39Å; M367-I389 HydrophobicContact CE-CD1 4.45Å; M367-I389 HydrophobicContact CG-CD1 3.95Å; M367-I389 HydrophobicContact SD-CD1 4.36Å; M367-V400 HydrophobicContact CE-CG1 3.67Å; M367-V400 HydrophobicContact CE-CG2 4.44Å; M367-L415 HydrophobicContact CE-CD1 4.12Å; M367-L415 HydrophobicContact CE-CD2 3.53Å; M367-L415 HydrophobicContact CE-CG 4.49Å; M367-L415 HydrophobicContact SD-CD2 3.9Å; M367-L418 HydrophobicContact SD-CD2 4.19Å; M367-L453 HydrophobicContact SD-CD1 4.36Å; M367-L453 HydrophobicContact SD-CD2 4.45Å; M367-M457 HydrophobicContact CE-CE 4.16Å; M367-M457 HydrophobicContact CE-CG 4.45Å; M367-M457 HydrophobicContact CE-SD 4.28Å; M367-M457 HydrophobicContact SD-CE 4.42Å; M367-M457 HydrophobicContact SD-SD 4.24Å; M367-Y556 PolarHBondContact O-OH 3.45Å; M367-V598 CarbonylContact C-O 3.59Å; M367-V598 WeakPolarHBondContact CA-O 3.18Å; M367-V598 WeakPolarHBondContact CB-O 3.4Å; M367-V599 HydrophobicContact CB-CG1 3.95Å
368	F	94.8	Very high	80	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	148.1	168.2	68.1	-101.8	0	0	0	111.2	F370 F384 D385 E386 V549 K552 I553 Y556 G597 V598	F368-F370 HydrophobicContact CD2-CE1 4.38Å; F368-F370 HydrophobicContact CD2-CZ 4.47Å; F368-F370 AromaticContact CE2-CE1 3.96Å; F368-F370 HydrophobicContact CE2-CE1 3.96Å; F368-F370 AromaticContact CE2-CZ 3.96Å; F368-F370 HydrophobicContact CE2-CZ 3.96Å; F368-F384 AromaticContact CD2-CD1 3.69Å; F368-F384 HydrophobicContact CD2-CD1 3.69Å; F368-F384 HydrophobicContact CD2-CE1 4.23Å; F368-F384 AromaticContact CE2-CD1 3.83Å; F368-F384 HydrophobicContact CE2-CD1 3.83Å; F368-F384 AromaticContact CE2-CE1 3.88Å; F368-F384 HydrophobicContact CE2-CE1 3.88Å; F368-F384 HydrophobicContact CG-CD1 4.38Å; F368-F384 HydrophobicContact CZ-CE1 4.49Å; F368-D385 VanDerWaalsContact CA-O 3.26Å; F368-D385 WeakPolarHBondContact CA-O 3.18Å; F368-E386 HydrophobicContact CB-CG 4.05Å; F368-V549 HydrophobicContact CE2-CG1 4.48Å; F368-V549 HydrophobicContact CZ-CG1 4.38Å; F368-K552 HydrophobicContact CD1-CG 4.28Å; F368-K552 HydrophobicContact CE1-CG 3.98Å; F368-K552 HydrophobicContact CZ-CG 4.21Å; F368-I553 HydrophobicContact CE1-CG1 4.1Å; F368-I553 HydrophobicContact CZ-CD1 4.46Å; F368-I553 HydrophobicContact CZ-CG1 3.81Å; F368-Y556 HydrophobicContact CD1-CD2 4.37Å; F368-Y556 AromaticContact CD1-CE2 3.74Å; F368-Y556 HydrophobicContact CD1-CE2 3.74Å; F368-Y556 AromaticContact CD1-CZ 3.88Å; F368-Y556 HydrophobicContact CE1-CE2 4.31Å; F368-G597 VanDerWaalsContact O-CA 3.29Å; F368-G597 WeakPolarHBondContact O-CA 3.1Å; F368-V598 HydrophobicContact CD1-CB 4.09Å; F368-V598 HydrophobicContact CE1-CB 3.53Å; F368-V598 HydrophobicContact CE1-CG1 3.96Å; F368-V598 HydrophobicContact CE1-CG2 3.97Å; F368-V598 HydrophobicContact CE2-CB 4.03Å; F368-V598 HydrophobicContact CE2-CG2 3.83Å; F368-V598 HydrophobicContact CZ-CB 3.5Å; F368-V598 VanDerWaalsContact CZ-CB 3.5Å; F368-V598 HydrophobicContact CZ-CG1 4.24Å; F368-V598 HydrophobicContact CZ-CG2 3.39Å; F368-V598 PolarHBondContact N-O 3.49Å; F368-V598 PolarHBondContact O-N 3.05Å
369	T	93.7	Very high	79	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.018	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	-178.4	169.1	57.9	0	0	0	0	109.5	D385 C414 L415 L418	T369-D385 PolarHBondContact N-O 3.1Å; T369-D385 PolarHBondContact O-N 2.86Å; T369-C414 HydrophobicContact CG2-CB 3.86Å; T369-L415 HydrophobicContact CG2-CD2 3.76Å; T369-L418 HydrophobicContact CG2-CD1 3.89Å
370	F	89.5	Confident	78.5	Confident	1 Å²	1	54.2 Å²	54.2	0%	0.004	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	122.9	-176.6	-47.8	-82	0	0	0	110.2	F368 L382 F384 V532 R533 T534 V549 L595	F368-F370 HydrophobicContact CD2-CE1 4.38Å; F368-F370 HydrophobicContact CD2-CZ 4.47Å; F368-F370 AromaticContact CE2-CE1 3.96Å; F368-F370 HydrophobicContact CE2-CE1 3.96Å; F368-F370 AromaticContact CE2-CZ 3.96Å; F368-F370 HydrophobicContact CE2-CZ 3.96Å; F370-L382 HydrophobicContact CB-CD2 4.05Å; F370-L382 HydrophobicContact CD1-CD1 4.46Å; F370-L382 HydrophobicContact CD1-CD2 3.89Å; F370-L382 HydrophobicContact CG-CD2 4.26Å; F370-F384 HydrophobicContact CD1-CD1 4.33Å; F370-F384 HydrophobicContact CD1-CE1 4.23Å; F370-F384 HydrophobicContact CE1-CD1 4.24Å; F370-F384 AromaticContact CE1-CE1 3.86Å; F370-F384 HydrophobicContact CE1-CE1 3.86Å; F370-V532 HydrophobicContact CB-CG2 4.3Å; F370-V532 HydrophobicContact CD1-CG2 3.86Å; F370-V532 HydrophobicContact CD2-CG2 3.21Å; F370-V532 HydrophobicContact CE1-CG2 3.93Å; F370-V532 HydrophobicContact CE2-CG2 3.31Å; F370-V532 HydrophobicContact CG-CG2 3.49Å; F370-V532 VanDerWaalsContact CG-CG2 3.49Å; F370-V532 HydrophobicContact CZ-CG2 3.67Å; F370-R533 WeakPolarHBondContact CB-O 3.46Å; F370-R533 WeakPolarHBondContact CD2-O 3.36Å; F370-T534 HydrophobicContact CB-CG2 4.12Å; F370-V549 HydrophobicContact CE1-CG2 3.79Å; F370-V549 HydrophobicContact CZ-CG1 4.49Å; F370-V549 HydrophobicContact CZ-CG2 4.34Å; F370-L595 HydrophobicContact CE1-CD2 4.49Å; F370-L595 HydrophobicContact CE2-CD2 3.92Å; F370-L595 HydrophobicContact CE2-CG 3.88Å; F370-L595 HydrophobicContact CZ-CD2 3.48Å; F370-L595 VanDerWaalsContact CZ-CD2 3.48Å; F370-L595 HydrophobicContact CZ-CG 3.96Å
371	G	81.2	Confident	78.3	Confident	2 Å²	2	55.9 Å²	55.9	2%	0.021	30%	0.301	C	S	.	.			trans	-76.6	-173.7	170.8	0	0	0	0	0	111.5	K383 D385 T534	G371-K383 PolarHBondContact N-O 2.91Å; G371-D385 VanDerWaalsContact CA-OD2 3.23Å; G371-D385 WeakPolarHBondContact CA-OD2 3.5Å; G371-D385 PolarHBondContact N-OD2 3.18Å; G371-T534 WeakPolarHBondContact O-CG2 3.02Å
372	N	70.9	Confident	78.1	Confident	94 Å²	94	54.3 Å²	54.3	50%	0.503	29%	0.294	S	S	.	.			trans	-68	145.4	173.4	-74.2	-10.5	0	0	0	111.1	K383 G536	N372-K383 WeakPolarHBondContact O-CB 3.22Å; N372-G536 PolarHBondContact OD1-N 2.9Å
373	E	69	Low	78.1	Confident	99 Å²	99	58.4 Å²	58.4	46%	0.463	31%	0.311	S	S	.	.			trans	-57.6	141.4	177.1	57.5	-176.1	-173.2	0	0	111.8	L539	E373-L539 VanDerWaalsContact OE2-CD1 3.26Å; E373-L539 WeakPolarHBondContact OE2-CD1 3.33Å
374	S	61.6	Low	78	Confident	61 Å²	61	60.4 Å²	60.4	43%	0.427	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	129	172.3	-168.7	0	0	0	0	108.1	Q381	S374-Q381 PolarHBondContact N-O 3.26Å; S374-Q381 PolarHBondContact O-N 3.14Å; S374-Q381 VanDerWaalsContact O-N 3.11Å
375	R	58.7	Low	77.9	Confident	196 Å²	196	61.2 Å²	61.2	74%	0.74	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	121.2	172.2	-76.4	-172.7	179.4	-169.3	-1	109.3	L380	R375-L380 HydrophobicContact CG-CD1 4.17Å
376	I	58.3	Low	78	Confident	115 Å²	115	63.3 Å²	63.3	59%	0.59	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	98.6	167.7	-58.3	-179.5	0	0	0	106.5	A379	I376-A379 PolarHBondContact N-O 2.95Å
377	G	66.3	Low	78.1	Confident	64 Å²	64	60.8 Å²	60.8	66%	0.66	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	-135.5	-168.7	0	0	0	0	0	111.8
378	D	60.1	Low	78	Confident	181 Å²	181	64.8 Å²	64.8	97%	0.968	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-8.8	178.5	-69.4	-29.6	0	0	0	113.6
379	A	63.1	Low	77.9	Confident	62 Å²	62	65.3 Å²	65.3	51%	0.512	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	124.4	-179.3	0	0	0	0	0	111.1	I376	I376-A379 PolarHBondContact N-O 2.95Å
380	L	69	Low	77.8	Confident	58 Å²	58	68 Å²	68	30%	0.304	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	125	172.1	-151.5	101.6	0	0	0	108.6	R375 L539 L545	R375-L380 HydrophobicContact CG-CD1 4.17Å; L380-L539 HydrophobicContact CD2-CD1 4.3Å; L380-L539 HydrophobicContact CD2-CD2 4.01Å; L380-L545 HydrophobicContact CD2-CD1 4.05Å; L380-L545 WeakPolarHBondContact O-CD2 3.07Å
381	Q	74.4	Confident	77.6	Confident	84 Å²	84	69.8 Å²	69.8	39%	0.393	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	137.4	-179.7	-132.4	176.9	17	0	0	111.8	S374 E548	S374-Q381 PolarHBondContact N-O 3.26Å; S374-Q381 PolarHBondContact O-N 3.14Å; S374-Q381 VanDerWaalsContact O-N 3.11Å; Q381-E548 VanDerWaalsContact CG-OE1 3.24Å; Q381-E548 WeakPolarHBondContact CG-OE1 3.45Å; Q381-E548 PolarHBondContact NE2-OE1 3.49Å; Q381-E548 VanDerWaalsContact NE2-OE1 3.14Å
382	L	79.5	Confident	77.2	Confident	9 Å²	9	71.6 Å²	71.6	5%	0.047	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-81.4	121.4	174.5	-91.7	161.5	0	0	0	109.7	F370 F384 V532 L539 L545 E548 V549	F370-L382 HydrophobicContact CB-CD2 4.05Å; F370-L382 HydrophobicContact CD1-CD1 4.46Å; F370-L382 HydrophobicContact CD1-CD2 3.89Å; F370-L382 HydrophobicContact CG-CD2 4.26Å; L382-F384 HydrophobicContact CB-CE2 4.32Å; L382-F384 HydrophobicContact CB-CZ 4.38Å; L382-F384 WeakPolarHBondContact O-CD2 3.37Å; L382-F384 WeakPolarHBondContact O-CE2 3.18Å; L382-V532 HydrophobicContact CD2-CG1 4.08Å; L382-L539 HydrophobicContact CD2-CD2 4.38Å; L382-L545 HydrophobicContact CB-CD2 4.27Å; L382-L545 HydrophobicContact CD1-CB 3.73Å; L382-L545 HydrophobicContact CD1-CD1 4.09Å; L382-L545 HydrophobicContact CD1-CD2 3.81Å; L382-L545 HydrophobicContact CD1-CG 4.07Å; L382-L545 HydrophobicContact CG-CD1 4.33Å; L382-L545 HydrophobicContact CG-CD2 3.81Å; L382-L545 HydrophobicContact CG-CG 4.47Å; L382-E548 PolarHBondContact N-OE2 3.09Å; L382-V549 HydrophobicContact CD1-CG2 4.11Å
383	K	86.5	Confident	77.8	Confident	114 Å²	114	72.6 Å²	72.6	50%	0.496	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-78.9	124.5	168	-170.4	-175	174.8	-162.3	0	109.1	G371 N372 D385	G371-K383 PolarHBondContact N-O 2.91Å; N372-K383 WeakPolarHBondContact O-CB 3.22Å; K383-D385 IonicContact NZ-OD1 3.13Å
384	F	88.7	Confident	78.7	Confident	45 Å²	45	68.1 Å²	68.1	20%	0.197	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	122.8	175.1	-63.4	-88.8	0	0	0	110.1	F368 F370 L382 E386 E548 V549 K552	F368-F384 AromaticContact CD2-CD1 3.69Å; F368-F384 HydrophobicContact CD2-CD1 3.69Å; F368-F384 HydrophobicContact CD2-CE1 4.23Å; F368-F384 AromaticContact CE2-CD1 3.83Å; F368-F384 HydrophobicContact CE2-CD1 3.83Å; F368-F384 AromaticContact CE2-CE1 3.88Å; F368-F384 HydrophobicContact CE2-CE1 3.88Å; F368-F384 HydrophobicContact CG-CD1 4.38Å; F368-F384 HydrophobicContact CZ-CE1 4.49Å; F370-F384 HydrophobicContact CD1-CD1 4.33Å; F370-F384 HydrophobicContact CD1-CE1 4.23Å; F370-F384 HydrophobicContact CE1-CD1 4.24Å; F370-F384 AromaticContact CE1-CE1 3.86Å; F370-F384 HydrophobicContact CE1-CE1 3.86Å; L382-F384 HydrophobicContact CB-CE2 4.32Å; L382-F384 HydrophobicContact CB-CZ 4.38Å; L382-F384 WeakPolarHBondContact O-CD2 3.37Å; L382-F384 WeakPolarHBondContact O-CE2 3.18Å; F384-E386 HydrophobicContact CB-CG 4.46Å; F384-E548 HydrophobicContact CZ-CB 4.4Å; F384-V549 HydrophobicContact CE1-CG2 4.16Å; F384-V549 HydrophobicContact CZ-CG2 4.21Å; F384-K552 HydrophobicContact CD1-CB 4.45Å; F384-K552 HydrophobicContact CD1-CG 4.04Å; F384-K552 HydrophobicContact CE1-CB 3.99Å; F384-K552 HydrophobicContact CE1-CG 4.08Å; F384-K552 HydrophobicContact CG-CG 4.37Å; F384-K552 HydrophobicContact CZ-CB 4.07Å; F384-K552 HydrophobicContact CZ-CG 4.48Å
385	D	91	Very high	79.9	Confident	22 Å²	22	66.2 Å²	66.2	12%	0.118	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	102.6	170.1	-68	-32.9	0	0	0	108	F368 T369 G371 K383 F387	F368-D385 VanDerWaalsContact CA-O 3.26Å; F368-D385 WeakPolarHBondContact CA-O 3.18Å; T369-D385 PolarHBondContact N-O 3.1Å; T369-D385 PolarHBondContact O-N 2.86Å; G371-D385 VanDerWaalsContact CA-OD2 3.23Å; G371-D385 WeakPolarHBondContact CA-OD2 3.5Å; G371-D385 PolarHBondContact N-OD2 3.18Å; K383-D385 IonicContact NZ-OD1 3.13Å; D385-F387 HydrophobicContact CB-CE2 3.94Å; D385-F387 HydrophobicContact CB-CZ 4.12Å; D385-F387 VanDerWaalsContact O-CD2 3.31Å; D385-F387 WeakPolarHBondContact O-CD2 3.49Å; D385-F387 WeakPolarHBondContact O-CE2 3.18Å
386	E	93.2	Very high	81.3	Confident	65 Å²	65	57.5 Å²	57.5	30%	0.304	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	138.2	-176	-67.8	175.8	-124.1	0	0	112.1	F368 F384 H402 K552	F368-E386 HydrophobicContact CB-CG 4.05Å; F384-E386 HydrophobicContact CB-CG 4.46Å; E386-H402 PolarHBondContact O-ND1 2.88Å; E386-K552 WeakPolarHBondContact OE1-CE 3.43Å; E386-K552 IonicContact OE1-NZ 2.77Å; E386-K552 PolarHBondContact OE1-NZ 3.14Å; E386-K552 WeakPolarHBondContact OE2-CE 3.29Å; E386-K552 IonicContact OE2-NZ 3.83Å; E386-K552 PolarHBondContact OE2-NZ 3.15Å
387	F	94.9	Very high	82.5	Confident	1 Å²	1	58.8 Å²	58.8	0%	0.004	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	140.8	-179.4	-55.3	-91.2	0	0	0	111	R366 M367 D385 V400 H401 H402 V407 Y412 L415	R366-F387 VanDerWaalsContact CA-O 3.32Å; R366-F387 WeakPolarHBondContact CA-O 3.3Å; M367-F387 HydrophobicContact CE-CB 3.77Å; M367-F387 HydrophobicContact CE-CD2 4.27Å; M367-F387 HydrophobicContact CE-CG 3.99Å; M367-F387 HydrophobicContact CG-CB 3.8Å; M367-F387 HydrophobicContact CG-CD2 4.16Å; M367-F387 HydrophobicContact CG-CG 4.37Å; M367-F387 PolarHBondContact N-O 3.22Å; M367-F387 PolarHBondContact O-N 2.89Å; D385-F387 HydrophobicContact CB-CE2 3.94Å; D385-F387 HydrophobicContact CB-CZ 4.12Å; D385-F387 VanDerWaalsContact O-CD2 3.31Å; D385-F387 WeakPolarHBondContact O-CD2 3.49Å; D385-F387 WeakPolarHBondContact O-CE2 3.18Å; F387-V400 HydrophobicContact CB-CG1 3.86Å; F387-V400 HydrophobicContact CD1-CG1 4.01Å; F387-V400 HydrophobicContact CG-CG1 4.27Å; F387-H401 CarbonylContact C-O 3.45Å; F387-H401 VanDerWaalsContact CA-O 3.24Å; F387-H401 WeakPolarHBondContact CA-O 3.48Å; F387-H402 HydrophobicContact CD1-CB 3.79Å; F387-H402 AromaticContact CD1-ND1 3.95Å; F387-H402 HydrophobicContact CE1-CB 3.83Å; F387-H402 AromaticContact CE1-CG 3.91Å; F387-H402 AromaticContact CE1-ND1 3.77Å; F387-V407 HydrophobicContact CD1-CG2 4.14Å; F387-V407 HydrophobicContact CE1-CG2 4.23Å; F387-Y412 HydrophobicContact CE1-CD1 4.4Å; F387-Y412 HydrophobicContact CE1-CE1 4.22Å; F387-Y412 AromaticContact CZ-CD1 3.92Å; F387-Y412 HydrophobicContact CZ-CD1 3.92Å; F387-Y412 HydrophobicContact CZ-CE1 4.02Å; F387-Y412 HydrophobicContact CZ-CG 4.34Å; F387-L415 HydrophobicContact CD1-CD1 4.22Å; F387-L415 HydrophobicContact CD2-CD1 4.49Å; F387-L415 HydrophobicContact CD2-CD2 4.11Å; F387-L415 HydrophobicContact CE1-CD1 3.82Å; F387-L415 HydrophobicContact CE2-CD1 4.12Å; F387-L415 HydrophobicContact CE2-CD2 3.94Å; F387-L415 HydrophobicContact CE2-CG 4.23Å; F387-L415 HydrophobicContact CZ-CD1 3.77Å; F387-L415 HydrophobicContact CZ-CD2 4.41Å; F387-L415 HydrophobicContact CZ-CG 4.22Å
388	E	93.8	Very high	83.6	Confident	85 Å²	85	56.9 Å²	56.9	40%	0.397	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.7	174.3	-67.1	-178.7	170.8	0	0	109.6	R366 V400 H401	R366-E388 IonicContact CZ-OE1 3.31Å; R366-E388 IonicContact NH1-OE1 2.78Å; R366-E388 PolarHBondContact NH1-OE1 2.8Å; R366-E388 IonicContact NH2-OE1 3.83Å; R366-E388 PolarHBondContact NH2-OE1 2.76Å; E388-V400 CarbonylContact O-C 3.49Å; E388-V400 WeakPolarHBondContact O-CA 3.26Å; E388-H401 HydrophobicContact CB-CB 4.45Å; E388-H401 PolarHBondContact N-O 2.98Å; E388-H401 PolarHBondContact O-N 3.26Å
389	I	93.6	Very high	85	Confident	11 Å²	11	51.2 Å²	51.2	6%	0.056	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.1	-177.2	-57.4	87.9	0	0	0	108.7	V364 C365 M367 V400 L453 K456	V364-I389 HydrophobicContact CG1-CD1 4.15Å; V364-I389 WeakPolarHBondContact O-CB 3.24Å; C365-I389 PolarHBondContact O-N 2.89Å; M367-I389 HydrophobicContact CB-CD1 4.39Å; M367-I389 HydrophobicContact CE-CD1 4.45Å; M367-I389 HydrophobicContact CG-CD1 3.95Å; M367-I389 HydrophobicContact SD-CD1 4.36Å; I389-V400 HydrophobicContact CG1-CG2 4.2Å; I389-L453 HydrophobicContact CD1-CD1 4.33Å; I389-L453 HydrophobicContact CG1-CD1 3.84Å; I389-L453 HydrophobicContact CG2-CD1 4.37Å; I389-K456 HydrophobicContact CG2-CD 3.78Å
390	T	91.3	Very high	86.5	Confident	60 Å²	60	48.4 Å²	48.4	37%	0.368	26%	0.256	S	S	.	.			trans	-93.6	164.2	177.1	54.9	0	0	0	0	112.6	N399 K456	T390-N399 PolarHBondContact N-O 2.86Å; T390-N399 PolarHBondContact OG1-N 3.31Å; T390-N399 PolarHBondContact OG1-O 2.77Å; T390-K456 PolarHBondContact O-NZ 3.08Å; T390-K456 VanDerWaalsContact O-NZ 3.09Å
391	G	84.3	Confident	87.7	Confident	37 Å²	37	47.8 Å²	47.8	38%	0.381	25%	0.252	S	S	.	.			trans	92.7	133.6	-173.7	0	0	0	0	0	111.9	T363 K456	T363-G391 VanDerWaalsContact CG2-O 3.23Å; T363-G391 WeakPolarHBondContact CG2-O 3.45Å; G391-K456 PolarHBondContact O-NZ 2.78Å
392	S	73.7	Confident	88.6	Confident	40 Å²	40	45 Å²	45	28%	0.28	24%	0.239	S	C	.	.	S	Bend	trans	-113.6	6.7	-171.3	51.9	0	0	0	0	114.2	T359 P604	T359-S392 PolarHBondContact OG1-O 2.69Å; S392-P604 WeakPolarHBondContact O-CG 3.45Å
393	K	83.3	Confident	89	Confident	116 Å²	116	52.5 Å²	52.5	50%	0.504	27%	0.274	S	S	.	.	S	Bend	trans	-128.9	172.1	-176.2	-67.2	-171.9	-176	-179.1	0	110	A395	K393-A395 PolarHBondContact O-N 2.56Å
394	Y	87.4	Confident	89	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.016	28%	0.278	C	S	.	.	S	Bend	trans	-65.8	-18.7	171.3	-70.7	-49.3	0	0	0	113.2	Q361 M362 M430 K441 A445 T448 C452	Q361-Y394 HydrophobicContact CB-CD2 3.89Å; Q361-Y394 HydrophobicContact CB-CE2 3.75Å; Q361-Y394 HydrophobicContact CB-CG 4.34Å; Q361-Y394 HydrophobicContact CG-CD2 3.67Å; Q361-Y394 HydrophobicContact CG-CE2 3.67Å; Q361-Y394 HydrophobicContact CG-CG 4.48Å; M362-Y394 PolarHBondContact N-OH 3.08Å; M362-Y394 WeakPolarHBondContact O-CE1 3.33Å; Y394-M430 WeakPolarHBondContact O-CE 3.42Å; Y394-K441 HydrophobicContact CD2-CB 4.39Å; Y394-K441 HydrophobicContact CE2-CB 3.92Å; Y394-K441 HydrophobicContact CE2-CD 4.43Å; Y394-K441 HydrophobicContact CE2-CG 4.25Å; Y394-A445 WeakPolarHBondContact OH-CA 3.47Å; Y394-A445 WeakPolarHBondContact OH-CB 3.12Å; Y394-A445 PolarHBondContact OH-O 3Å; Y394-T448 HydrophobicContact CD1-CG2 3.75Å; Y394-T448 HydrophobicContact CE1-CG2 3.75Å; Y394-T448 HydrophobicContact CG-CG2 4.28Å; Y394-C452 PolarHBondContact O-SG 3.36Å
395	A	87.2	Confident	89.2	Confident	21 Å²	21	57.3 Å²	57.3	17%	0.174	31%	0.306	C	S	.	.	S	Bend	trans	-48.3	132.9	176.1	0	0	0	0	0	111.7	K393 E397 Y439	K393-A395 PolarHBondContact O-N 2.56Å; A395-E397 HydrophobicContact CB-CG 4.46Å; A395-E397 PolarHBondContact O-N 2.82Å; A395-Y439 HydrophobicContact CB-CD2 3.78Å; A395-Y439 HydrophobicContact CB-CE2 4.24Å
396	P	86.8	Confident	89.2	Confident	13 Å²	13	63 Å²	63	8%	0.084	33%	0.329	C	S	.	.	S	Bend	trans	-72.7	26.1	-178.2	31.8	-35.7	0	0	0	112.9	M430 Y439 E455 L472	P396-M430 HydrophobicContact CB-CE 4.09Å; P396-M430 HydrophobicContact CG-CE 4.26Å; P396-Y439 HydrophobicContact CG-CE1 4.2Å; P396-Y439 HydrophobicContact CG-CE2 4.39Å; P396-E455 HydrophobicContact CB-CB 3.7Å; P396-E455 HydrophobicContact CB-CG 4.26Å; P396-L472 HydrophobicContact CG-CB 4.31Å
397	E	85.3	Confident	89.2	Confident	142 Å²	142	61.2 Å²	61.2	66%	0.664	32%	0.323	S	S	*	.			trans	-100.1	122.3	-179.6	-62.6	178.1	-164	0	0	109.1	A395 K456	A395-E397 HydrophobicContact CB-CG 4.46Å; A395-E397 PolarHBondContact O-N 2.82Å; E397-K456 WeakPolarHBondContact O-CE 3.3Å
398	G	87.6	Confident	89.1	Confident	24 Å²	24	63.6 Å²	63.6	25%	0.247	34%	0.335	C	S	.	.			trans	159.6	159.2	-176.9	0	0	0	0	0	111.3
399	N	91.3	Very high	89	Confident	62 Å²	62	59.7 Å²	59.7	33%	0.332	32%	0.318	S	S	.	.			trans	-124.3	150.6	177.2	-60.5	-65.6	0	0	0	110	T390 K406	T390-N399 PolarHBondContact N-O 2.86Å; T390-N399 PolarHBondContact OG1-N 3.31Å; T390-N399 PolarHBondContact OG1-O 2.77Å; N399-K406 HydrophobicContact CB-CD 4.09Å; N399-K406 HydrophobicContact CB-CG 4.28Å; N399-K406 WeakPolarHBondContact OD1-CE 3.49Å; N399-K406 PolarHBondContact OD1-NZ 3.06Å
400	V	94.2	Very high	88.9	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.018	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	130.8	171.6	-176	0	0	0	0	109.1	M367 F387 E388 I389 K406 V407 M457	M367-V400 HydrophobicContact CE-CG1 3.67Å; M367-V400 HydrophobicContact CE-CG2 4.44Å; F387-V400 HydrophobicContact CB-CG1 3.86Å; F387-V400 HydrophobicContact CD1-CG1 4.01Å; F387-V400 HydrophobicContact CG-CG1 4.27Å; E388-V400 CarbonylContact O-C 3.49Å; E388-V400 WeakPolarHBondContact O-CA 3.26Å; I389-V400 HydrophobicContact CG1-CG2 4.2Å; V400-K406 WeakPolarHBondContact O-CA 3.38Å; V400-V407 HydrophobicContact CB-CG2 4.44Å; V400-V407 HydrophobicContact CG1-CG2 4.12Å; V400-V407 PolarHBondContact O-N 3.4Å; V400-M457 HydrophobicContact CG2-CG 4.16Å
401	H	94.3	Very high	88.8	Confident	45 Å²	45	64.4 Å²	64.4	21%	0.208	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	139.2	-179.8	-65.9	-107.3	0	0	0	110.5	F387 E388 G404 R405	F387-H401 CarbonylContact C-O 3.45Å; F387-H401 VanDerWaalsContact CA-O 3.24Å; F387-H401 WeakPolarHBondContact CA-O 3.48Å; E388-H401 HydrophobicContact CB-CB 4.45Å; E388-H401 PolarHBondContact N-O 2.98Å; E388-H401 PolarHBondContact O-N 3.26Å; H401-G404 PolarHBondContact ND1-O 3.41Å; H401-R405 CarbonylContact C-O 3.58Å; H401-R405 WeakPolarHBondContact CA-O 3.14Å
402	H	92.3	Very high	89.1	Confident	27 Å²	27	65.5 Å²	65.5	13%	0.125	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.7	168.5	-173.9	63.9	0	0	0	107.9	E386 F387 G404 R405 V407	E386-H402 PolarHBondContact O-ND1 2.88Å; F387-H402 HydrophobicContact CD1-CB 3.79Å; F387-H402 AromaticContact CD1-ND1 3.95Å; F387-H402 HydrophobicContact CE1-CB 3.83Å; F387-H402 AromaticContact CE1-CG 3.91Å; F387-H402 AromaticContact CE1-ND1 3.77Å; H402-G404 PolarHBondContact O-N 3.02Å; H402-G404 VanDerWaalsContact O-N 3.15Å; H402-R405 PolarHBondContact N-O 2.88Å; H402-R405 PolarHBondContact O-N 3.23Å; H402-V407 HydrophobicContact CB-CG1 3.64Å; H402-V407 HydrophobicContact CB-CG2 4.16Å
403	Q	88	Confident	89.9	Confident	165 Å²	165	67.7 Å²	67.7	77%	0.771	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	41.1	-177.2	-56.8	-178.9	1	0	0	113.2	R405	Q403-R405 VanDerWaalsContact C-N 3.29Å; Q403-R405 PolarHBondContact O-N 2.72Å
404	G	87.2	Confident	90.3	Very high	58 Å²	58	62.5 Å²	62.5	60%	0.598	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	-8.6	179.9	0	0	0	0	0	116	H401 H402	H401-G404 PolarHBondContact ND1-O 3.41Å; H402-G404 PolarHBondContact O-N 3.02Å; H402-G404 VanDerWaalsContact O-N 3.15Å
405	R	91.9	Very high	90.6	Very high	203 Å²	203	62.3 Å²	62.3	77%	0.766	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	138.7	178.8	-64.6	-176.2	-178.6	-177.8	1.1	111.3	H401 H402 Q403 V407	H401-R405 CarbonylContact C-O 3.58Å; H401-R405 WeakPolarHBondContact CA-O 3.14Å; H402-R405 PolarHBondContact N-O 2.88Å; H402-R405 PolarHBondContact O-N 3.23Å; Q403-R405 VanDerWaalsContact C-N 3.29Å; Q403-R405 PolarHBondContact O-N 2.72Å; R405-V407 PolarHBondContact O-N 3.49Å
406	K	92.6	Very high	90.9	Very high	141 Å²	141	63.1 Å²	63.1	61%	0.613	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.4	132.3	171.4	177.1	174.8	172.3	169.5	0	109.2	N399 V400	N399-K406 HydrophobicContact CB-CD 4.09Å; N399-K406 HydrophobicContact CB-CG 4.28Å; N399-K406 WeakPolarHBondContact OD1-CE 3.49Å; N399-K406 PolarHBondContact OD1-NZ 3.06Å; V400-K406 WeakPolarHBondContact O-CA 3.38Å
407	V	93.3	Very high	91.3	Very high	28 Å²	28	63.2 Å²	63.2	17%	0.17	32%	0.324	C	S	.	.			trans	-120.7	154.6	-179.6	-68.9	0	0	0	0	111.7	F387 V400 H402 R405 Y412	F387-V407 HydrophobicContact CD1-CG2 4.14Å; F387-V407 HydrophobicContact CE1-CG2 4.23Å; V400-V407 HydrophobicContact CB-CG2 4.44Å; V400-V407 HydrophobicContact CG1-CG2 4.12Å; V400-V407 PolarHBondContact O-N 3.4Å; H402-V407 HydrophobicContact CB-CG1 3.64Å; H402-V407 HydrophobicContact CB-CG2 4.16Å; R405-V407 PolarHBondContact O-N 3.49Å; V407-Y412 HydrophobicContact CB-CE2 4.17Å; V407-Y412 HydrophobicContact CG1-CE2 4.48Å
408	D	92.5	Very high	91.8	Very high	51 Å²	51	56.5 Å²	56.5	27%	0.273	29%	0.293	S	S	.	.			trans	-87.7	112	167.7	-177	-11.9	0	0	0	109	S410 E411 K461	D408-S410 PolarHBondContact O-N 3.28Å; D408-S410 WeakPolarHBondContact OD1-CB 3.47Å; D408-S410 PolarHBondContact OD1-N 3.19Å; D408-S410 PolarHBondContact OD1-OG 3.5Å; D408-S410 PolarHBondContact OD2-OG 2.84Å; D408-E411 HydrophobicContact CB-CG 4.1Å; D408-E411 PolarHBondContact O-N 3.01Å; D408-K461 WeakPolarHBondContact OD2-CE 3.43Å; D408-K461 IonicContact OD2-NZ 3.49Å; D408-K461 PolarHBondContact OD2-NZ 3.44Å
409	C	91.6	Very high	92.2	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.02	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-64.5	-21.9	-176.1	-63.4	0	0	0	0	113.5	E411 Y412 L415 M457 V459	C409-E411 PolarHBondContact O-N 3.34Å; C409-Y412 PolarHBondContact O-N 2.69Å; C409-L415 HydrophobicContact CB-CD1 4.06Å; C409-M457 HydrophobicContact CB-CB 4.15Å; C409-M457 HydrophobicContact CB-CE 4.35Å; C409-M457 WeakPolarHBondContact CB-O 3.37Å; C409-V459 HydrophobicContact CB-CG1 3.89Å
410	S	90.6	Very high	92.4	Very high	31 Å²	31	53.7 Å²	53.7	22%	0.217	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-68.8	-20.2	178.3	68.1	0	0	0	0	113.4	D408 Y412 V459 K461	D408-S410 PolarHBondContact O-N 3.28Å; D408-S410 WeakPolarHBondContact OD1-CB 3.47Å; D408-S410 PolarHBondContact OD1-N 3.19Å; D408-S410 PolarHBondContact OD1-OG 3.5Å; D408-S410 PolarHBondContact OD2-OG 2.84Å; S410-Y412 PolarHBondContact O-N 2.9Å; S410-V459 VanDerWaalsContact CB-O 3.26Å; S410-V459 WeakPolarHBondContact CB-O 3.35Å; S410-K461 WeakPolarHBondContact OG-CE 3.37Å; S410-K461 PolarHBondContact OG-NZ 3.45Å
411	E	89.8	Confident	92.5	Very high	138 Å²	138	53.5 Å²	53.5	65%	0.645	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-75.7	-12.5	178.4	-62.4	-177.3	167.7	0	0	112.6	D408 C409 P413	D408-E411 HydrophobicContact CB-CG 4.1Å; D408-E411 PolarHBondContact O-N 3.01Å; C409-E411 PolarHBondContact O-N 3.34Å; E411-P413 WeakPolarHBondContact O-CD 3.19Å
412	Y	90.7	Very high	92.6	Very high	60 Å²	60	51.4 Å²	51.4	24%	0.235	26%	0.26	C	S	.	.			trans	-109.6	104.8	-177.4	-64.2	-98.3	0	0	0	109.9	F387 V407 C409 S410 C414 L415 V416	F387-Y412 HydrophobicContact CE1-CD1 4.4Å; F387-Y412 HydrophobicContact CE1-CE1 4.22Å; F387-Y412 AromaticContact CZ-CD1 3.92Å; F387-Y412 HydrophobicContact CZ-CD1 3.92Å; F387-Y412 HydrophobicContact CZ-CE1 4.02Å; F387-Y412 HydrophobicContact CZ-CG 4.34Å; V407-Y412 HydrophobicContact CB-CE2 4.17Å; V407-Y412 HydrophobicContact CG1-CE2 4.48Å; C409-Y412 PolarHBondContact O-N 2.69Å; S410-Y412 PolarHBondContact O-N 2.9Å; Y412-C414 VanDerWaalsContact C-N 3.26Å; Y412-C414 PolarHBondContact O-N 3.15Å; Y412-L415 HydrophobicContact CD2-CD1 4.18Å; Y412-L415 HydrophobicContact CG-CD1 4.05Å; Y412-L415 HydrophobicContact CG-CG 4.42Å; Y412-L415 WeakPolarHBondContact O-CB 3.48Å; Y412-L415 PolarHBondContact O-N 3.24Å; Y412-V416 PolarHBondContact O-N 2.84Å; Y412-V416 VanDerWaalsContact O-N 3.16Å
413	P	89.7	Confident	92.8	Very high	86 Å²	86	50.2 Å²	50.2	56%	0.558	26%	0.255	S	S	*	.	H	α-helix	trans	-56.2	-38.3	-176.7	-27.2	34.6	0	0	0	113.8	E411 L415 V416 E417	E411-P413 WeakPolarHBondContact O-CD 3.19Å; P413-L415 VanDerWaalsContact C-N 3.31Å; P413-L415 PolarHBondContact O-N 2.83Å; P413-V416 WeakPolarHBondContact O-CB 3.18Å; P413-V416 PolarHBondContact O-N 2.77Å; P413-E417 PolarHBondContact O-N 2.93Å; P413-E417 VanDerWaalsContact O-N 3.12Å
414	C	92	Very high	93.2	Very high	7 Å²	7	42.6 Å²	42.6	5%	0.047	22%	0.22	C	C	.	.	H	α-helix	trans	-64.5	-34.1	176.4	-62.1	0	0	0	0	112.5	T369 Y412 L418	T369-C414 HydrophobicContact CG2-CB 3.86Å; Y412-C414 VanDerWaalsContact C-N 3.26Å; Y412-C414 PolarHBondContact O-N 3.15Å; C414-L418 WeakPolarHBondContact O-CB 3.17Å; C414-L418 PolarHBondContact O-N 2.84Å
415	L	94.1	Very high	93.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-71.1	-33.9	175.4	-70.3	-172.8	0	0	0	111.9	M367 T369 F387 C409 Y412 P413 L418 A419 M457	M367-L415 HydrophobicContact CE-CD1 4.12Å; M367-L415 HydrophobicContact CE-CD2 3.53Å; M367-L415 HydrophobicContact CE-CG 4.49Å; M367-L415 HydrophobicContact SD-CD2 3.9Å; T369-L415 HydrophobicContact CG2-CD2 3.76Å; F387-L415 HydrophobicContact CD1-CD1 4.22Å; F387-L415 HydrophobicContact CD2-CD1 4.49Å; F387-L415 HydrophobicContact CD2-CD2 4.11Å; F387-L415 HydrophobicContact CE1-CD1 3.82Å; F387-L415 HydrophobicContact CE2-CD1 4.12Å; F387-L415 HydrophobicContact CE2-CD2 3.94Å; F387-L415 HydrophobicContact CE2-CG 4.23Å; F387-L415 HydrophobicContact CZ-CD1 3.77Å; F387-L415 HydrophobicContact CZ-CD2 4.41Å; F387-L415 HydrophobicContact CZ-CG 4.22Å; C409-L415 HydrophobicContact CB-CD1 4.06Å; Y412-L415 HydrophobicContact CD2-CD1 4.18Å; Y412-L415 HydrophobicContact CG-CD1 4.05Å; Y412-L415 HydrophobicContact CG-CG 4.42Å; Y412-L415 WeakPolarHBondContact O-CB 3.48Å; Y412-L415 PolarHBondContact O-N 3.24Å; P413-L415 VanDerWaalsContact C-N 3.31Å; P413-L415 PolarHBondContact O-N 2.83Å; L415-L418 PolarHBondContact O-N 3.02Å; L415-A419 WeakPolarHBondContact O-CB 3.29Å; L415-A419 PolarHBondContact O-N 3.23Å; L415-M457 HydrophobicContact CB-CE 3.69Å; L415-M457 HydrophobicContact CD2-CE 4.04Å; L415-M457 HydrophobicContact CG-CE 4.3Å; L415-M457 WeakPolarHBondContact O-CE 3.36Å
416	V	94.2	Very high	93.8	Very high	38 Å²	38	30.5 Å²	30.5	23%	0.23	16%	0.157	C	C	.	.	H	α-helix	trans	-62.2	-49.2	173.6	-178.4	0	0	0	0	110.4	Y412 P413 L418 A419 Q420 V459	Y412-V416 PolarHBondContact O-N 2.84Å; Y412-V416 VanDerWaalsContact O-N 3.16Å; P413-V416 WeakPolarHBondContact O-CB 3.18Å; P413-V416 PolarHBondContact O-N 2.77Å; V416-L418 VanDerWaalsContact C-N 3.33Å; V416-L418 PolarHBondContact O-N 3.18Å; V416-A419 PolarHBondContact O-N 3.16Å; V416-Q420 WeakPolarHBondContact O-CG 3.32Å; V416-Q420 PolarHBondContact O-N 2.81Å; V416-V459 HydrophobicContact CG2-CB 4.25Å; V416-V459 HydrophobicContact CG2-CG1 4.49Å
417	E	93.6	Very high	93.7	Very high	16 Å²	16	27.9 Å²	27.9	8%	0.075	15%	0.149	C	C	.	.	H	α-helix	trans	-65.8	-36.9	177.3	-168	168.5	-140.4	0	0	111.6	P413 Q420 I421 K515 R533 V596	P413-E417 PolarHBondContact O-N 2.93Å; P413-E417 VanDerWaalsContact O-N 3.12Å; E417-Q420 WeakPolarHBondContact O-CB 3.39Å; E417-Q420 PolarHBondContact O-N 2.7Å; E417-I421 WeakPolarHBondContact O-CG1 2.9Å; E417-I421 PolarHBondContact O-N 3.41Å; E417-K515 IonicContact OE1-NZ 3.81Å; E417-K515 PolarHBondContact OE1-NZ 2.99Å; E417-R533 IonicContact OE1-CZ 2.6Å; E417-R533 IonicContact OE1-NE 3.5Å; E417-R533 IonicContact OE1-NH2 3.8Å; E417-R533 PolarHBondContact OE1-NH2 3.23Å; E417-R533 IonicContact OE2-CZ 2.73Å; E417-R533 IonicContact OE2-NE 3.73Å; E417-R533 PolarHBondContact OE2-NE 3.48Å; E417-R533 IonicContact OE2-NH2 3.16Å; E417-R533 PolarHBondContact OE2-NH2 3.01Å; E417-V596 HydrophobicContact CB-CG1 4.12Å; E417-V596 HydrophobicContact CG-CG1 4.24Å; E417-V596 HydrophobicContact CG-CG2 4.18Å
418	L	95.8	Very high	93.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60	-46.6	173.9	-170	150.7	0	0	0	111.6	M367 T369 C414 L415 V416 Q420 I421 C422 L453 M457 L568 V596 V599	M367-L418 HydrophobicContact SD-CD2 4.19Å; T369-L418 HydrophobicContact CG2-CD1 3.89Å; C414-L418 WeakPolarHBondContact O-CB 3.17Å; C414-L418 PolarHBondContact O-N 2.84Å; L415-L418 PolarHBondContact O-N 3.02Å; V416-L418 VanDerWaalsContact C-N 3.33Å; V416-L418 PolarHBondContact O-N 3.18Å; L418-Q420 VanDerWaalsContact C-N 3.32Å; L418-Q420 PolarHBondContact O-N 2.85Å; L418-I421 PolarHBondContact O-N 3.15Å; L418-C422 PolarHBondContact O-N 3.27Å; L418-C422 PolarHBondContact O-SG 3Å; L418-C422 VanDerWaalsContact O-SG 3.39Å; L418-L453 HydrophobicContact CD2-CD2 4.24Å; L418-M457 HydrophobicContact CD2-CE 4.36Å; L418-M457 HydrophobicContact CD2-SD 4.26Å; L418-L568 HydrophobicContact CD1-CD1 4.18Å; L418-L568 HydrophobicContact CD2-CD1 3.92Å; L418-L568 HydrophobicContact CG-CD1 3.64Å; L418-V596 HydrophobicContact CB-CG1 4.23Å; L418-V599 HydrophobicContact CD1-CG1 4.49Å; L418-V599 HydrophobicContact CD2-CG1 4.06Å
419	A	96.4	Very high	93.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.7	-36.8	176.8	0	0	0	0	0	112.3	L415 V416 C422 S423 V454 M457 V459 I480	L415-A419 WeakPolarHBondContact O-CB 3.29Å; L415-A419 PolarHBondContact O-N 3.23Å; V416-A419 PolarHBondContact O-N 3.16Å; A419-C422 PolarHBondContact O-N 2.92Å; A419-S423 WeakPolarHBondContact O-CB 3.21Å; A419-S423 PolarHBondContact O-N 2.91Å; A419-V454 HydrophobicContact CB-CG2 4.39Å; A419-V454 WeakPolarHBondContact O-CG2 3.39Å; A419-M457 HydrophobicContact CB-CE 3.99Å; A419-M457 HydrophobicContact CB-SD 4.2Å; A419-V459 HydrophobicContact CB-CB 4.44Å; A419-V459 HydrophobicContact CB-CG1 3.85Å; A419-V459 HydrophobicContact CB-CG2 3.7Å; A419-I480 HydrophobicContact CB-CD1 4.14Å
420	Q	95.5	Very high	93.7	Very high	27 Å²	27	26.8 Å²	26.8	13%	0.126	15%	0.147	C	C	.	.	H	α-helix	trans	-60.6	-47	173.5	-70.6	168.3	-2.4	0	0	111.6	V416 E417 L418 S423 L424 I480 F484 F517	V416-Q420 WeakPolarHBondContact O-CG 3.32Å; V416-Q420 PolarHBondContact O-N 2.81Å; E417-Q420 WeakPolarHBondContact O-CB 3.39Å; E417-Q420 PolarHBondContact O-N 2.7Å; L418-Q420 VanDerWaalsContact C-N 3.32Å; L418-Q420 PolarHBondContact O-N 2.85Å; Q420-S423 PolarHBondContact O-N 2.93Å; Q420-L424 WeakPolarHBondContact O-CB 3.48Å; Q420-L424 PolarHBondContact O-N 3.19Å; Q420-I480 HydrophobicContact CB-CG2 4.48Å; Q420-I480 HydrophobicContact CG-CG2 4.15Å; Q420-F484 HydrophobicContact CG-CE2 4.05Å; Q420-F517 HydrophobicContact CB-CE2 4.26Å; Q420-F517 HydrophobicContact CB-CZ 4.17Å
421	I	96.6	Very high	93.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62	-47.4	177	-62.8	163.9	0	0	0	110.3	E417 L418 S423 C425 F517 L568 V596	E417-I421 WeakPolarHBondContact O-CG1 2.9Å; E417-I421 PolarHBondContact O-N 3.41Å; L418-I421 PolarHBondContact O-N 3.15Å; I421-S423 VanDerWaalsContact C-N 3.26Å; I421-S423 PolarHBondContact O-N 3.35Å; I421-C425 HydrophobicContact CG2-CB 4.3Å; I421-C425 VanDerWaalsContact O-CB 3.27Å; I421-C425 WeakPolarHBondContact O-CB 3.21Å; I421-C425 PolarHBondContact O-N 3.09Å; I421-F517 HydrophobicContact CB-CB 4.49Å; I421-F517 HydrophobicContact CD1-CD1 4.38Å; I421-F517 HydrophobicContact CG1-CB 4.1Å; I421-F517 HydrophobicContact CG1-CD1 3.52Å; I421-F517 HydrophobicContact CG1-CE1 4.08Å; I421-F517 HydrophobicContact CG1-CG 3.89Å; I421-F517 HydrophobicContact CG2-CB 4.31Å; I421-L568 HydrophobicContact CD1-CB 4.23Å; I421-L568 HydrophobicContact CG2-CB 4.1Å; I421-L568 HydrophobicContact CG2-CD2 3.89Å; I421-L568 HydrophobicContact CG2-CG 4.48Å; I421-V596 HydrophobicContact CD1-CB 3.95Å; I421-V596 HydrophobicContact CD1-CG1 4.3Å; I421-V596 HydrophobicContact CD1-CG2 3.74Å
422	C	96.8	Very high	93.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.6	-33.6	179.5	-74.7	0	0	0	0	113.7	L418 A419 N426 L450 V454 L568	L418-C422 PolarHBondContact O-N 3.27Å; L418-C422 PolarHBondContact O-SG 3Å; L418-C422 VanDerWaalsContact O-SG 3.39Å; A419-C422 PolarHBondContact O-N 2.92Å; C422-N426 WeakPolarHBondContact O-CB 3.44Å; C422-N426 PolarHBondContact O-ND2 2.88Å; C422-L450 HydrophobicContact CB-CB 4.08Å; C422-V454 HydrophobicContact CB-CG2 3.54Å; C422-L568 VanDerWaalsContact SG-CD1 3.51Å
423	S	96.2	Very high	93.7	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.014	13%	0.134	C	C	.	.	H	α-helix	trans	-84.9	-42.5	-178.6	-167.8	0	0	0	0	113.3	A419 Q420 I421 N477	A419-S423 WeakPolarHBondContact O-CB 3.21Å; A419-S423 PolarHBondContact O-N 2.91Å; Q420-S423 PolarHBondContact O-N 2.93Å; I421-S423 VanDerWaalsContact C-N 3.26Å; I421-S423 PolarHBondContact O-N 3.35Å; S423-N477 WeakPolarHBondContact CB-OD1 3.31Å; S423-N477 PolarHBondContact OG-OD1 3.3Å
424	L	95.7	Very high	93.5	Very high	5 Å²	5	26.2 Å²	26.2	3%	0.026	14%	0.135	C	C	.	.	H	α-helix	trans	-90.7	-36.5	-171.5	-69.9	163	0	0	0	113.2	Q420 N426 I480 Q481 F484 V503 F517	Q420-L424 WeakPolarHBondContact O-CB 3.48Å; Q420-L424 PolarHBondContact O-N 3.19Å; L424-N426 PolarHBondContact O-N 2.7Å; L424-I480 HydrophobicContact CD1-CG2 4.2Å; L424-I480 HydrophobicContact CG-CG2 4.27Å; L424-Q481 HydrophobicContact CD2-CG 4.16Å; L424-F484 HydrophobicContact CD1-CB 3.75Å; L424-F484 HydrophobicContact CD1-CD1 4.42Å; L424-F484 HydrophobicContact CD1-CD2 3.52Å; L424-F484 HydrophobicContact CD1-CE2 4.2Å; L424-F484 HydrophobicContact CD1-CG 3.65Å; L424-F484 HydrophobicContact CD2-CB 4.1Å; L424-V503 HydrophobicContact CB-CG1 4.29Å; L424-V503 HydrophobicContact CD1-CG1 4.39Å; L424-F517 HydrophobicContact CB-CD2 3.98Å; L424-F517 HydrophobicContact CB-CE2 4.44Å; L424-F517 HydrophobicContact CD1-CD2 3.91Å; L424-F517 HydrophobicContact CD1-CE2 3.5Å
425	C	96.2	Very high	92.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-85.2	59.6	172.8	-165.4	0	0	0	0	109.4	I421 T501 F517 K519	I421-C425 HydrophobicContact CG2-CB 4.3Å; I421-C425 VanDerWaalsContact O-CB 3.27Å; I421-C425 WeakPolarHBondContact O-CB 3.21Å; I421-C425 PolarHBondContact O-N 3.09Å; C425-T501 WeakPolarHBondContact CA-OG1 3.48Å; C425-F517 HydrophobicContact CB-CB 4.13Å; C425-K519 VanDerWaalsContact O-CD 3.22Å; C425-K519 WeakPolarHBondContact O-CD 3.4Å; C425-K519 WeakPolarHBondContact O-CE 3.3Å; C425-K519 PolarHBondContact O-NZ 2.87Å
426	N	95.1	Very high	91.9	Very high	7 Å²	7	38 Å²	38	4%	0.037	19%	0.194	C	C	.	.			trans	-155.5	136.5	-172	-157	-39.1	0	0	0	110.7	C422 L424 S428 E447 V451 R486	C422-N426 WeakPolarHBondContact O-CB 3.44Å; C422-N426 PolarHBondContact O-ND2 2.88Å; L424-N426 PolarHBondContact O-N 2.7Å; N426-S428 PolarHBondContact OD1-N 2.8Å; N426-E447 PolarHBondContact ND2-O 3.4Å; N426-E447 WeakPolarHBondContact OD1-CB 3.48Å; N426-E447 PolarHBondContact OD1-OE2 3.44Å; N426-V451 WeakPolarHBondContact ND2-CG2 3.12Å; N426-R486 PolarHBondContact O-NH1 3.23Å
427	D	91.8	Very high	91.4	Very high	87 Å²	87	43.3 Å²	43.3	47%	0.465	22%	0.216	S	C	.	.			trans	-113.8	-2.9	177.3	-67.7	-38.6	0	0	0	112.5	E447 R486 M499	D427-E447 PolarHBondContact N-OE2 2.79Å; D427-R486 IonicContact OD1-CZ 3.01Å; D427-R486 IonicContact OD1-NH1 3.24Å; D427-R486 PolarHBondContact OD1-NH1 3.01Å; D427-R486 IonicContact OD1-NH2 3.37Å; D427-M499 WeakPolarHBondContact OD2-CE 3.25Å
428	S	92.7	Very high	91	Very high	12 Å²	12	44.3 Å²	44.3	8%	0.084	23%	0.227	C	C	.	.			trans	-93.7	163.3	177.4	-56.9	0	0	0	0	111.9	N426 V442 E444 E447	N426-S428 PolarHBondContact OD1-N 2.8Å; S428-V442 CarbonylContact C-O 3.54Å; S428-V442 VanDerWaalsContact CA-O 3.24Å; S428-V442 WeakPolarHBondContact CA-O 3.48Å; S428-V442 VanDerWaalsContact CB-O 3.29Å; S428-V442 WeakPolarHBondContact CB-O 3.07Å; S428-E444 PolarHBondContact OG-N 2.62Å; S428-E447 PolarHBondContact N-OE2 3.44Å; S428-E447 WeakPolarHBondContact OG-CB 3.43Å; S428-E447 PolarHBondContact OG-OE2 3.17Å
429	S	92.9	Very high	90.7	Very high	42 Å²	42	45.1 Å²	45.1	29%	0.294	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	177.8	174.6	67.6	0	0	0	0	111.4	V442	S429-V442 PolarHBondContact N-O 2.76Å; S429-V442 PolarHBondContact O-N 3.11Å
430	M	92.5	Very high	90.2	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.025	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.7	178.8	-176.3	164.7	67.2	0	0	109.9	Y394 P396 Y439 T448 V451 E455 A473 M474	Y394-M430 WeakPolarHBondContact O-CE 3.42Å; P396-M430 HydrophobicContact CB-CE 4.09Å; P396-M430 HydrophobicContact CG-CE 4.26Å; M430-Y439 HydrophobicContact CE-CD1 4.23Å; M430-Y439 HydrophobicContact CG-CD1 4.08Å; M430-Y439 HydrophobicContact SD-CD1 4.16Å; M430-Y439 HydrophobicContact SD-CG 4.35Å; M430-T448 HydrophobicContact CB-CG2 4.44Å; M430-V451 HydrophobicContact CB-CG1 4.29Å; M430-E455 HydrophobicContact CE-CG 4.41Å; M430-A473 WeakPolarHBondContact CE-O 3.49Å; M430-A473 HydrophobicContact CG-CB 4.48Å; M430-A473 WeakPolarHBondContact O-CB 3.38Å; M430-M474 HydrophobicContact CB-SD 4.46Å; M430-M474 WeakPolarHBondContact O-CG 3.39Å
431	E	91.9	Very high	89.9	Confident	111 Å²	111	49.8 Å²	49.8	52%	0.519	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	150.1	179	-178.1	170.8	-159	0	0	110.2	Y439 E440 V442	E431-Y439 CarbonylContact O-C 3.58Å; E431-Y439 VanDerWaalsContact O-CA 3.32Å; E431-Y439 WeakPolarHBondContact O-CA 3.42Å; E431-E440 PolarHBondContact N-O 3.01Å; E431-E440 PolarHBondContact O-N 3.12Å; E431-V442 HydrophobicContact CB-CG2 4.04Å
432	Y	91.6	Very high	89.6	Confident	25 Å²	25	52.9 Å²	52.9	10%	0.098	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	115.2	171.7	-179.7	-101.7	0	0	0	109.7	E434 Y439 N469 H470	Y432-E434 HydrophobicContact CD1-CG 4.2Å; Y432-E434 HydrophobicContact CE1-CG 4.08Å; Y432-E434 PolarHBondContact O-N 3.2Å; Y432-Y439 HydrophobicContact CD2-CD1 4.14Å; Y432-Y439 HydrophobicContact CD2-CD2 4Å; Y432-Y439 AromaticContact CD2-CE1 3.95Å; Y432-Y439 HydrophobicContact CD2-CE1 3.95Å; Y432-Y439 AromaticContact CD2-CE2 3.81Å; Y432-Y439 HydrophobicContact CD2-CE2 3.81Å; Y432-Y439 HydrophobicContact CD2-CG 4.17Å; Y432-Y439 AromaticContact CD2-CZ 3.78Å; Y432-Y439 HydrophobicContact CE2-CE2 4.25Å; Y432-Y439 HydrophobicContact CG-CE1 4.34Å; Y432-N469 HydrophobicContact CD1-CB 3.7Å; Y432-N469 HydrophobicContact CD2-CB 3.8Å; Y432-N469 HydrophobicContact CE1-CB 3.79Å; Y432-N469 HydrophobicContact CE2-CB 3.89Å; Y432-N469 HydrophobicContact CG-CB 3.69Å; Y432-N469 PolarHBondContact OH-ND2 3.19Å; Y432-H470 PolarHBondContact O-CE1 2.71Å; Y432-H470 PolarHBondContact O-ND1 2.87Å
433	N	86.6	Confident	89.1	Confident	40 Å²	40	55.4 Å²	55.4	21%	0.214	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	110.6	176.9	-171.2	-33.9	0	0	0	109.8	S435 R436 H437 A438 E440	N433-S435 VanDerWaalsContact C-N 3.32Å; N433-S435 PolarHBondContact O-N 2.76Å; N433-S435 PolarHBondContact OD1-N 2.92Å; N433-S435 PolarHBondContact OD1-OG 3.27Å; N433-R436 HydrophobicContact CB-CB 4.44Å; N433-R436 PolarHBondContact O-N 3.11Å; N433-R436 PolarHBondContact OD1-N 3.12Å; N433-H437 PolarHBondContact O-N 3.01Å; N433-A438 PolarHBondContact N-O 3.01Å; N433-A438 PolarHBondContact O-N 3.26Å; N433-E440 HydrophobicContact CB-CG 4.06Å; N433-E440 WeakPolarHBondContact CB-OE2 3.37Å; N433-E440 PolarHBondContact ND2-OE2 3.37Å
434	E	85.5	Confident	88.5	Confident	126 Å²	126	57.3 Å²	57.3	59%	0.589	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-36.7	-179.4	-74.6	-176.4	179	0	0	113	Y432 R436 H437 H470	Y432-E434 HydrophobicContact CD1-CG 4.2Å; Y432-E434 HydrophobicContact CE1-CG 4.08Å; Y432-E434 PolarHBondContact O-N 3.2Å; E434-R436 VanDerWaalsContact C-N 3.31Å; E434-R436 PolarHBondContact O-N 3.34Å; E434-H437 PolarHBondContact O-N 3.25Å; E434-H470 WeakPolarHBondContact CG-NE2 3.17Å; E434-H470 IonicContact OE1-CD2 3.37Å; E434-H470 PolarHBondContact OE1-CD2 2.92Å; E434-H470 IonicContact OE1-CE1 2.91Å; E434-H470 IonicContact OE1-NE2 3.97Å; E434-H470 PolarHBondContact OE1-NE2 3.36Å
435	S	79.5	Confident	88	Confident	99 Å²	99	57.2 Å²	57.2	69%	0.692	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-32.2	-177.2	69.8	0	0	0	0	112.9	N433	N433-S435 VanDerWaalsContact C-N 3.32Å; N433-S435 PolarHBondContact O-N 2.76Å; N433-S435 PolarHBondContact OD1-N 2.92Å; N433-S435 PolarHBondContact OD1-OG 3.27Å
436	R	73.5	Confident	87.6	Confident	157 Å²	157	57.8 Å²	57.8	59%	0.592	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-4	-179.3	-72	177.3	169.2	-175	-3.6	113.3	N433 E434 A438 E440	N433-R436 HydrophobicContact CB-CB 4.44Å; N433-R436 PolarHBondContact O-N 3.11Å; N433-R436 PolarHBondContact OD1-N 3.12Å; E434-R436 VanDerWaalsContact C-N 3.31Å; E434-R436 PolarHBondContact O-N 3.34Å; R436-A438 HydrophobicContact CB-CB 4.41Å; R436-A438 PolarHBondContact O-N 3.4Å; R436-E440 WeakPolarHBondContact CD-OE1 3.41Å; R436-E440 IonicContact CZ-OE1 2.87Å; R436-E440 IonicContact NE-OE1 3.59Å; R436-E440 IonicContact NH1-OE1 2.74Å; R436-E440 PolarHBondContact NH1-OE1 3.16Å
437	H	83.8	Confident	87.5	Confident	149 Å²	149	58.6 Å²	58.6	69%	0.69	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	40.1	-173.8	-63.2	-74.4	0	0	0	113	N433 E434	N433-H437 PolarHBondContact O-N 3.01Å; E434-H437 PolarHBondContact O-N 3.25Å
438	A	84.8	Confident	87.6	Confident	36 Å²	36	54.4 Å²	54.4	30%	0.298	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	151.8	-173	0	0	0	0	0	112	N433 R436	N433-A438 PolarHBondContact N-O 3.01Å; N433-A438 PolarHBondContact O-N 3.26Å; R436-A438 HydrophobicContact CB-CB 4.41Å; R436-A438 PolarHBondContact O-N 3.4Å
439	Y	89.7	Confident	87.7	Confident	17 Å²	17	53.9 Å²	53.9	7%	0.067	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	125.6	170.8	-68.9	-88.9	0	0	0	110	A395 P396 M430 E431 Y432 N469 A473	A395-Y439 HydrophobicContact CB-CD2 3.78Å; A395-Y439 HydrophobicContact CB-CE2 4.24Å; P396-Y439 HydrophobicContact CG-CE1 4.2Å; P396-Y439 HydrophobicContact CG-CE2 4.39Å; M430-Y439 HydrophobicContact CE-CD1 4.23Å; M430-Y439 HydrophobicContact CG-CD1 4.08Å; M430-Y439 HydrophobicContact SD-CD1 4.16Å; M430-Y439 HydrophobicContact SD-CG 4.35Å; E431-Y439 CarbonylContact O-C 3.58Å; E431-Y439 VanDerWaalsContact O-CA 3.32Å; E431-Y439 WeakPolarHBondContact O-CA 3.42Å; Y432-Y439 HydrophobicContact CD2-CD1 4.14Å; Y432-Y439 HydrophobicContact CD2-CD2 4Å; Y432-Y439 AromaticContact CD2-CE1 3.95Å; Y432-Y439 HydrophobicContact CD2-CE1 3.95Å; Y432-Y439 AromaticContact CD2-CE2 3.81Å; Y432-Y439 HydrophobicContact CD2-CE2 3.81Å; Y432-Y439 HydrophobicContact CD2-CG 4.17Å; Y432-Y439 AromaticContact CD2-CZ 3.78Å; Y432-Y439 HydrophobicContact CE2-CE2 4.25Å; Y432-Y439 HydrophobicContact CG-CE1 4.34Å; Y439-N469 WeakPolarHBondContact CE1-O 3.48Å; Y439-N469 WeakPolarHBondContact OH-CA 3.23Å; Y439-N469 PolarHBondContact OH-O 3.25Å; Y439-A473 HydrophobicContact CD1-CB 4.09Å; Y439-A473 HydrophobicContact CE1-CB 3.83Å
440	E	86.1	Confident	87.8	Confident	58 Å²	58	52 Å²	52	27%	0.271	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	151.1	-179.3	-66.5	-170.9	148.6	0	0	110.7	E431 N433 R436	E431-E440 PolarHBondContact N-O 3.01Å; E431-E440 PolarHBondContact O-N 3.12Å; N433-E440 HydrophobicContact CB-CG 4.06Å; N433-E440 WeakPolarHBondContact CB-OE2 3.37Å; N433-E440 PolarHBondContact ND2-OE2 3.37Å; R436-E440 WeakPolarHBondContact CD-OE1 3.41Å; R436-E440 IonicContact CZ-OE1 2.87Å; R436-E440 IonicContact NE-OE1 3.59Å; R436-E440 IonicContact NH1-OE1 2.74Å; R436-E440 PolarHBondContact NH1-OE1 3.16Å
441	K	89.4	Confident	88	Confident	68 Å²	68	51.8 Å²	51.8	30%	0.296	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	143.4	176	63	167.7	-174.5	161.3	0	110.6	S185 Y394 A445 T448	S185-K441 PolarHBondContact O-NZ 3.24Å; Y394-K441 HydrophobicContact CD2-CB 4.39Å; Y394-K441 HydrophobicContact CE2-CB 3.92Å; Y394-K441 HydrophobicContact CE2-CD 4.43Å; Y394-K441 HydrophobicContact CE2-CG 4.25Å; K441-A445 HydrophobicContact CD-CB 4.07Å; K441-T448 HydrophobicContact CB-CG2 3.69Å; K441-T448 WeakPolarHBondContact CB-OG1 3.44Å
442	V	89	Confident	88.1	Confident	65 Å²	65	46.6 Å²	46.6	39%	0.394	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	106.2	166.1	-179	0	0	0	0	107.2	S428 S429 E431	S428-V442 CarbonylContact C-O 3.54Å; S428-V442 VanDerWaalsContact CA-O 3.24Å; S428-V442 WeakPolarHBondContact CA-O 3.48Å; S428-V442 VanDerWaalsContact CB-O 3.29Å; S428-V442 WeakPolarHBondContact CB-O 3.07Å; S429-V442 PolarHBondContact N-O 2.76Å; S429-V442 PolarHBondContact O-N 3.11Å; E431-V442 HydrophobicContact CB-CG2 4.04Å
443	G	86.4	Confident	88.3	Confident	52 Å²	52	45.6 Å²	45.6	54%	0.536	24%	0.243	S	C	.	.	S	Bend	trans	104.1	-143.3	-173.6	0	0	0	0	0	113.2
444	E	83.9	Confident	88.8	Confident	42 Å²	42	43.7 Å²	43.7	20%	0.196	23%	0.233	C	C	.	.			trans	-81.4	139.4	-172.5	-73.8	-67	164.2	0	0	111.8	S187 S428 T446 E447 T448	S187-E444 WeakPolarHBondContact CB-OE1 3.41Å; S187-E444 PolarHBondContact OG-OE1 2.8Å; S428-E444 PolarHBondContact OG-N 2.62Å; E444-T446 VanDerWaalsContact C-N 3.29Å; E444-T446 PolarHBondContact O-N 3.02Å; E444-E447 HydrophobicContact CB-CB 4.19Å; E444-E447 HydrophobicContact CB-CG 4.1Å; E444-E447 PolarHBondContact O-N 2.86Å; E444-T448 WeakPolarHBondContact O-CB 3.48Å; E444-T448 PolarHBondContact O-N 3.09Å; E444-T448 PolarHBondContact O-OG1 3.18Å
445	A	85.5	Confident	89.2	Confident	3 Å²	3	37.8 Å²	37.8	3%	0.025	21%	0.205	C	C	.	.	H	α-helix	trans	-61.2	-40	-179.2	0	0	0	0	0	112	M362 Y394 K441 E447 A449	M362-A445 HydrophobicContact CB-CB 4.09Å; Y394-A445 WeakPolarHBondContact OH-CA 3.47Å; Y394-A445 WeakPolarHBondContact OH-CB 3.12Å; Y394-A445 PolarHBondContact OH-O 3Å; K441-A445 HydrophobicContact CD-CB 4.07Å; A445-E447 VanDerWaalsContact C-N 3.32Å; A445-E447 PolarHBondContact O-N 3.36Å; A445-A449 PolarHBondContact O-N 3.43Å; A445-A449 VanDerWaalsContact O-N 3.09Å
446	T	88.2	Confident	89.9	Confident	13 Å²	13	33.9 Å²	33.9	8%	0.08	18%	0.176	C	C	.	.	H	α-helix	trans	-62.5	-40.3	179.6	-52.3	0	0	0	0	111.4	E444 A449 L566 M601	E444-T446 VanDerWaalsContact C-N 3.29Å; E444-T446 PolarHBondContact O-N 3.02Å; T446-A449 WeakPolarHBondContact O-CB 3.49Å; T446-L566 HydrophobicContact CG2-CD1 3.45Å; T446-L566 VanDerWaalsContact CG2-CD1 3.45Å; T446-M601 HydrophobicContact CG2-CE 4.14Å; T446-M601 HydrophobicContact CG2-SD 3.51Å; T446-M601 VanDerWaalsContact CG2-SD 3.51Å
447	E	93	Very high	91	Very high	23 Å²	23	26.7 Å²	26.7	11%	0.107	15%	0.149	C	C	.	.	H	α-helix	trans	-79.5	-38.8	-178	-71.1	-159.4	155.6	0	0	112.4	N426 D427 S428 E444 A445 A449 L450 V451 K519	N426-E447 PolarHBondContact ND2-O 3.4Å; N426-E447 WeakPolarHBondContact OD1-CB 3.48Å; N426-E447 PolarHBondContact OD1-OE2 3.44Å; D427-E447 PolarHBondContact N-OE2 2.79Å; S428-E447 PolarHBondContact N-OE2 3.44Å; S428-E447 WeakPolarHBondContact OG-CB 3.43Å; S428-E447 PolarHBondContact OG-OE2 3.17Å; E444-E447 HydrophobicContact CB-CB 4.19Å; E444-E447 HydrophobicContact CB-CG 4.1Å; E444-E447 PolarHBondContact O-N 2.86Å; A445-E447 VanDerWaalsContact C-N 3.32Å; A445-E447 PolarHBondContact O-N 3.36Å; E447-A449 PolarHBondContact O-N 3.43Å; E447-L450 WeakPolarHBondContact O-CA 3.42Å; E447-L450 VanDerWaalsContact O-CB 3.31Å; E447-L450 WeakPolarHBondContact O-CB 3.38Å; E447-L450 PolarHBondContact O-N 2.88Å; E447-V451 PolarHBondContact O-N 3.48Å; E447-V451 VanDerWaalsContact O-N 3.11Å; E447-K519 VanDerWaalsContact CD-NZ 3.25Å; E447-K519 WeakPolarHBondContact OE1-CE 3.26Å; E447-K519 IonicContact OE1-NZ 2.69Å; E447-K519 PolarHBondContact OE1-NZ 3.23Å
448	T	94	Very high	91.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.8	-34.6	173.9	-51.6	0	0	0	0	111.2	Y394 M430 K441 E444 L450 V451 C452	Y394-T448 HydrophobicContact CD1-CG2 3.75Å; Y394-T448 HydrophobicContact CE1-CG2 3.75Å; Y394-T448 HydrophobicContact CG-CG2 4.28Å; M430-T448 HydrophobicContact CB-CG2 4.44Å; K441-T448 HydrophobicContact CB-CG2 3.69Å; K441-T448 WeakPolarHBondContact CB-OG1 3.44Å; E444-T448 WeakPolarHBondContact O-CB 3.48Å; E444-T448 PolarHBondContact O-N 3.09Å; E444-T448 PolarHBondContact O-OG1 3.18Å; T448-L450 PolarHBondContact O-N 3.34Å; T448-V451 WeakPolarHBondContact O-CB 3.24Å; T448-V451 PolarHBondContact O-N 3.22Å; T448-C452 WeakPolarHBondContact O-CB 3.41Å; T448-C452 PolarHBondContact O-N 3.47Å
449	A	93.6	Very high	91.9	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-58	-36.5	172.6	0	0	0	0	0	112.4	M362 V364 A445 T446 E447 L453 M601	M362-A449 HydrophobicContact CB-CB 4.23Å; M362-A449 HydrophobicContact CG-CB 4.08Å; M362-A449 WeakPolarHBondContact O-CB 3.32Å; V364-A449 HydrophobicContact CG2-CB 4.22Å; A445-A449 PolarHBondContact O-N 3.43Å; A445-A449 VanDerWaalsContact O-N 3.09Å; T446-A449 WeakPolarHBondContact O-CB 3.49Å; E447-A449 PolarHBondContact O-N 3.43Å; A449-L453 WeakPolarHBondContact O-CB 3.37Å; A449-L453 PolarHBondContact O-N 2.93Å; A449-M601 HydrophobicContact CB-SD 4.23Å
450	L	95.9	Very high	91.9	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-72.9	-39.1	176.6	-54.5	179.3	0	0	0	111.6	V364 C422 E447 T448 C452 L453 V454 K519 V599 M601	V364-L450 HydrophobicContact CG2-CD2 4.24Å; C422-L450 HydrophobicContact CB-CB 4.08Å; E447-L450 WeakPolarHBondContact O-CA 3.42Å; E447-L450 VanDerWaalsContact O-CB 3.31Å; E447-L450 WeakPolarHBondContact O-CB 3.38Å; E447-L450 PolarHBondContact O-N 2.88Å; T448-L450 PolarHBondContact O-N 3.34Å; L450-C452 VanDerWaalsContact C-N 3.34Å; L450-L453 WeakPolarHBondContact O-CB 3.46Å; L450-L453 PolarHBondContact O-N 2.98Å; L450-V454 WeakPolarHBondContact O-CG2 3.37Å; L450-V454 PolarHBondContact O-N 2.98Å; L450-K519 HydrophobicContact CD1-CD 4.09Å; L450-V599 HydrophobicContact CD2-CG2 3.78Å; L450-M601 HydrophobicContact CD2-CE 3.73Å; L450-M601 HydrophobicContact CG-CE 4.43Å
451	V	95.6	Very high	92	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	14%	0.137	C	C	.	.	H	α-helix	trans	-58.6	-49.2	173.6	176	0	0	0	0	110	N426 M430 E447 T448 L453 V454 E455 M474 N477	N426-V451 WeakPolarHBondContact ND2-CG2 3.12Å; M430-V451 HydrophobicContact CB-CG1 4.29Å; E447-V451 PolarHBondContact O-N 3.48Å; E447-V451 VanDerWaalsContact O-N 3.11Å; T448-V451 WeakPolarHBondContact O-CB 3.24Å; T448-V451 PolarHBondContact O-N 3.22Å; V451-L453 VanDerWaalsContact C-N 3.33Å; V451-L453 PolarHBondContact O-N 3.5Å; V451-V454 PolarHBondContact O-N 3.17Å; V451-E455 PolarHBondContact O-N 3.45Å; V451-E455 VanDerWaalsContact O-N 3.16Å; V451-M474 HydrophobicContact CG1-CE 4.36Å; V451-M474 HydrophobicContact CG1-SD 3.37Å; V451-M474 WeakPolarHBondContact CG1-SD 3.37Å; V451-N477 PolarHBondContact O-ND2 3.03Å
452	C	95.1	Very high	92	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.02	13%	0.132	C	C	.	.	H	α-helix	trans	-60.6	-40.4	176.4	-178.1	0	0	0	0	112	Y394 T448 L450 V454 E455 K456	Y394-C452 PolarHBondContact O-SG 3.36Å; T448-C452 WeakPolarHBondContact O-CB 3.41Å; T448-C452 PolarHBondContact O-N 3.47Å; L450-C452 VanDerWaalsContact C-N 3.34Å; C452-V454 PolarHBondContact O-N 3.45Å; C452-E455 PolarHBondContact O-N 3.21Å; C452-K456 WeakPolarHBondContact O-CG 3.34Å; C452-K456 PolarHBondContact O-N 3.33Å; C452-K456 WeakPolarHBondContact SG-CE 3.33Å
453	L	95.9	Very high	92	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.016	14%	0.139	C	C	.	.	H	α-helix	trans	-58.2	-46.4	174.6	175.2	68	0	0	0	111.6	V364 M367 I389 L418 A449 L450 V451 E455 K456 M457 V599	V364-L453 HydrophobicContact CB-CB 4.3Å; V364-L453 HydrophobicContact CB-CD1 4.2Å; V364-L453 HydrophobicContact CB-CD2 4.35Å; V364-L453 HydrophobicContact CG1-CD1 4.08Å; V364-L453 HydrophobicContact CG1-CD2 4.06Å; V364-L453 HydrophobicContact CG2-CB 4.1Å; V364-L453 HydrophobicContact CG2-CD2 4.18Å; M367-L453 HydrophobicContact SD-CD1 4.36Å; M367-L453 HydrophobicContact SD-CD2 4.45Å; I389-L453 HydrophobicContact CD1-CD1 4.33Å; I389-L453 HydrophobicContact CG1-CD1 3.84Å; I389-L453 HydrophobicContact CG2-CD1 4.37Å; L418-L453 HydrophobicContact CD2-CD2 4.24Å; A449-L453 WeakPolarHBondContact O-CB 3.37Å; A449-L453 PolarHBondContact O-N 2.93Å; L450-L453 WeakPolarHBondContact O-CB 3.46Å; L450-L453 PolarHBondContact O-N 2.98Å; V451-L453 VanDerWaalsContact C-N 3.33Å; V451-L453 PolarHBondContact O-N 3.5Å; L453-E455 VanDerWaalsContact C-N 3.3Å; L453-E455 PolarHBondContact O-N 2.81Å; L453-K456 PolarHBondContact O-N 3.38Å; L453-K456 VanDerWaalsContact O-N 3.09Å; L453-M457 HydrophobicContact CD1-CG 4.07Å; L453-M457 HydrophobicContact CD1-SD 4.05Å; L453-M457 HydrophobicContact CD2-SD 4.15Å; L453-M457 HydrophobicContact CG-CG 4.23Å; L453-M457 HydrophobicContact CG-SD 3.76Å; L453-M457 VanDerWaalsContact O-CG 3.3Å; L453-M457 WeakPolarHBondContact O-CG 3.21Å; L453-M457 PolarHBondContact O-N 2.89Å; L453-V599 HydrophobicContact CD2-CG1 3.87Å
454	V	96.3	Very high	92	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-60.2	-41.7	179.1	170.5	0	0	0	0	111.1	A419 C422 L450 V451 C452 K456 M457 N458 C476 I480	A419-V454 HydrophobicContact CB-CG2 4.39Å; A419-V454 WeakPolarHBondContact O-CG2 3.39Å; C422-V454 HydrophobicContact CB-CG2 3.54Å; L450-V454 WeakPolarHBondContact O-CG2 3.37Å; L450-V454 PolarHBondContact O-N 2.98Å; V451-V454 PolarHBondContact O-N 3.17Å; C452-V454 PolarHBondContact O-N 3.45Å; V454-K456 PolarHBondContact O-N 3.29Å; V454-M457 PolarHBondContact O-N 3.34Å; V454-N458 PolarHBondContact O-N 3.43Å; V454-C476 HydrophobicContact CG1-CB 4.28Å; V454-I480 HydrophobicContact CG1-CD1 3.65Å
455	E	95.2	Very high	91.9	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-61.6	-42.5	173.9	-64.3	-55	140.3	0	0	111.7	P396 M430 V451 C452 L453 K464 M474 V475 C476 N477	P396-E455 HydrophobicContact CB-CB 3.7Å; P396-E455 HydrophobicContact CB-CG 4.26Å; M430-E455 HydrophobicContact CE-CG 4.41Å; V451-E455 PolarHBondContact O-N 3.45Å; V451-E455 VanDerWaalsContact O-N 3.16Å; C452-E455 PolarHBondContact O-N 3.21Å; L453-E455 VanDerWaalsContact C-N 3.3Å; L453-E455 PolarHBondContact O-N 2.81Å; E455-K464 PolarHBondContact O-NZ 3.38Å; E455-K464 IonicContact OE2-NZ 2.95Å; E455-M474 WeakPolarHBondContact OE1-CA 3.42Å; E455-V475 PolarHBondContact OE1-N 3.32Å; E455-V475 WeakPolarHBondContact OE2-CG1 3.13Å; E455-V475 PolarHBondContact OE2-N 2.77Å; E455-C476 PolarHBondContact OE1-N 3.39Å; E455-C476 VanDerWaalsContact OE2-CB 3.3Å; E455-C476 WeakPolarHBondContact OE2-CB 3.3Å; E455-C476 PolarHBondContact OE2-N 3.01Å; E455-C476 PolarHBondContact OE2-SG 3.24Å; E455-C476 VanDerWaalsContact OE2-SG 3.33Å; E455-N477 PolarHBondContact OE1-N 3Å; E455-N477 PolarHBondContact OE1-ND2 3.44Å
456	K	94.1	Very high	91.8	Very high	17 Å²	17	33.1 Å²	33.1	7%	0.074	18%	0.183	C	C	.	.	H	α-helix	trans	-68.1	-33.1	177.8	-69.2	175	-179.5	-179.2	0	113.1	I389 T390 G391 E397 C452 L453 V454	I389-K456 HydrophobicContact CG2-CD 3.78Å; T390-K456 PolarHBondContact O-NZ 3.08Å; T390-K456 VanDerWaalsContact O-NZ 3.09Å; G391-K456 PolarHBondContact O-NZ 2.78Å; E397-K456 WeakPolarHBondContact O-CE 3.3Å; C452-K456 WeakPolarHBondContact O-CG 3.34Å; C452-K456 PolarHBondContact O-N 3.33Å; C452-K456 WeakPolarHBondContact SG-CE 3.33Å; L453-K456 PolarHBondContact O-N 3.38Å; L453-K456 VanDerWaalsContact O-N 3.09Å; V454-K456 PolarHBondContact O-N 3.29Å
457	M	94.8	Very high	91.9	Very high	7 Å²	7	35 Å²	35	3%	0.034	19%	0.192	C	C	.	.	H	α-helix	trans	-73.8	-38.3	179.4	-70.1	174.6	70.9	0	0	112.7	M367 V400 C409 L415 L418 A419 L453 V454 V459	M367-M457 HydrophobicContact CE-CE 4.16Å; M367-M457 HydrophobicContact CE-CG 4.45Å; M367-M457 HydrophobicContact CE-SD 4.28Å; M367-M457 HydrophobicContact SD-CE 4.42Å; M367-M457 HydrophobicContact SD-SD 4.24Å; V400-M457 HydrophobicContact CG2-CG 4.16Å; C409-M457 HydrophobicContact CB-CB 4.15Å; C409-M457 HydrophobicContact CB-CE 4.35Å; C409-M457 WeakPolarHBondContact CB-O 3.37Å; L415-M457 HydrophobicContact CB-CE 3.69Å; L415-M457 HydrophobicContact CD2-CE 4.04Å; L415-M457 HydrophobicContact CG-CE 4.3Å; L415-M457 WeakPolarHBondContact O-CE 3.36Å; L418-M457 HydrophobicContact CD2-CE 4.36Å; L418-M457 HydrophobicContact CD2-SD 4.26Å; A419-M457 HydrophobicContact CB-CE 3.99Å; A419-M457 HydrophobicContact CB-SD 4.2Å; L453-M457 HydrophobicContact CD1-CG 4.07Å; L453-M457 HydrophobicContact CD1-SD 4.05Å; L453-M457 HydrophobicContact CD2-SD 4.15Å; L453-M457 HydrophobicContact CG-CG 4.23Å; L453-M457 HydrophobicContact CG-SD 3.76Å; L453-M457 VanDerWaalsContact O-CG 3.3Å; L453-M457 WeakPolarHBondContact O-CG 3.21Å; L453-M457 PolarHBondContact O-N 2.89Å; V454-M457 PolarHBondContact O-N 3.34Å; M457-V459 VanDerWaalsContact C-N 3.31Å; M457-V459 HydrophobicContact CB-CG1 4.04Å; M457-V459 HydrophobicContact CE-CG1 3.96Å; M457-V459 PolarHBondContact O-N 3.13Å
458	N	94.4	Very high	91.7	Very high	36 Å²	36	37.6 Å²	37.6	19%	0.193	21%	0.21	C	C	.	.			trans	44.9	50	-178.9	-166.6	15.1	0	0	0	114	V454 T460 K461 V462 C476	V454-N458 PolarHBondContact O-N 3.43Å; N458-T460 PolarHBondContact O-N 3.47Å; N458-T460 VanDerWaalsContact O-N 3.16Å; N458-K461 PolarHBondContact O-N 2.97Å; N458-K461 PolarHBondContact OD1-N 2.99Å; N458-V462 PolarHBondContact ND2-O 3.25Å; N458-V462 PolarHBondContact OD1-N 3.2Å; N458-C476 VanDerWaalsContact CG-SG 3.57Å; N458-C476 PolarHBondContact OD1-SG 3.01Å
459	V	93.5	Very high	91.5	Very high	11 Å²	11	41 Å²	41	7%	0.067	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.8	-174	-64.5	0	0	0	0	114.1	C409 S410 V416 A419 M457 I480	C409-V459 HydrophobicContact CB-CG1 3.89Å; S410-V459 VanDerWaalsContact CB-O 3.26Å; S410-V459 WeakPolarHBondContact CB-O 3.35Å; V416-V459 HydrophobicContact CG2-CB 4.25Å; V416-V459 HydrophobicContact CG2-CG1 4.49Å; A419-V459 HydrophobicContact CB-CB 4.44Å; A419-V459 HydrophobicContact CB-CG1 3.85Å; A419-V459 HydrophobicContact CB-CG2 3.7Å; M457-V459 VanDerWaalsContact C-N 3.31Å; M457-V459 HydrophobicContact CB-CG1 4.04Å; M457-V459 HydrophobicContact CE-CG1 3.96Å; M457-V459 PolarHBondContact O-N 3.13Å; V459-I480 HydrophobicContact CG2-CD1 3.94Å
460	T	89.2	Confident	91.3	Very high	42 Å²	42	44.6 Å²	44.6	26%	0.258	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	3.7	177.1	57	0	0	0	0	113.6	N458 V462 D479 I480 M483	N458-T460 PolarHBondContact O-N 3.47Å; N458-T460 VanDerWaalsContact O-N 3.16Å; T460-V462 VanDerWaalsContact C-N 3.27Å; T460-V462 PolarHBondContact O-N 2.91Å; T460-V462 WeakPolarHBondContact OG1-CG2 3.41Å; T460-D479 WeakPolarHBondContact CB-OD2 3.38Å; T460-D479 WeakPolarHBondContact CG2-OD2 3.2Å; T460-D479 PolarHBondContact OG1-OD2 3.42Å; T460-I480 HydrophobicContact CG2-CG1 4.08Å; T460-M483 HydrophobicContact CG2-CE 3.48Å; T460-M483 VanDerWaalsContact CG2-CE 3.48Å
461	K	89.6	Confident	91	Very high	125 Å²	125	48.8 Å²	48.8	54%	0.543	26%	0.264	S	S	.	.			trans	54.1	38.1	179.6	-58	-167.5	179.3	-162.5	0	113.9	D408 S410 N458 S463	D408-K461 WeakPolarHBondContact OD2-CE 3.43Å; D408-K461 IonicContact OD2-NZ 3.49Å; D408-K461 PolarHBondContact OD2-NZ 3.44Å; S410-K461 WeakPolarHBondContact OG-CE 3.37Å; S410-K461 PolarHBondContact OG-NZ 3.45Å; N458-K461 PolarHBondContact O-N 2.97Å; N458-K461 PolarHBondContact OD1-N 2.99Å; K461-S463 PolarHBondContact O-N 3.2Å
462	V	88.2	Confident	90.8	Very high	33 Å²	33	50.3 Å²	50.3	20%	0.2	27%	0.272	C	S	.	.			trans	-64.3	133.4	175	-174.9	0	0	0	0	109.1	N458 T460 K464 V475 D479	N458-V462 PolarHBondContact ND2-O 3.25Å; N458-V462 PolarHBondContact OD1-N 3.2Å; T460-V462 VanDerWaalsContact C-N 3.27Å; T460-V462 PolarHBondContact O-N 2.91Å; T460-V462 WeakPolarHBondContact OG1-CG2 3.41Å; V462-K464 PolarHBondContact O-N 3.34Å; V462-V475 HydrophobicContact CG1-CG2 3.72Å; V462-D479 HydrophobicContact CG2-CB 3.8Å; V462-D479 WeakPolarHBondContact CG2-OD2 3.16Å
463	S	89.6	Confident	90.6	Very high	77 Å²	77	50.3 Å²	50.3	54%	0.538	27%	0.272	S	S	.	.			trans	-68.4	119	174.8	-173.3	0	0	0	0	109.9	K461 S465	K461-S463 PolarHBondContact O-N 3.2Å; S463-S465 PolarHBondContact OG-OG 2.86Å
464	K	87.1	Confident	90.5	Very high	55 Å²	55	51.1 Å²	51.1	24%	0.239	28%	0.276	C	S	.	.			trans	-91.3	-8.8	177.2	-63.9	-166.6	179.9	-158.9	0	113.4	E455 V462 L472 V475 C476	E455-K464 PolarHBondContact O-NZ 3.38Å; E455-K464 IonicContact OE2-NZ 2.95Å; V462-K464 PolarHBondContact O-N 3.34Å; K464-L472 HydrophobicContact CB-CD2 3.84Å; K464-L472 HydrophobicContact CD-CD2 4.15Å; K464-L472 HydrophobicContact CG-CD2 4.16Å; K464-V475 HydrophobicContact CG-CG1 4.43Å; K464-C476 WeakPolarHBondContact CE-SG 3.46Å
465	S	81.5	Confident	90.4	Very high	80 Å²	80	52.3 Å²	52.3	56%	0.559	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	134.1	177.1	56.7	0	0	0	0	110.4	S463	S463-S465 PolarHBondContact OG-OG 2.86Å
466	N	84.2	Confident	90.3	Very high	165 Å²	165	52.3 Å²	52.3	88%	0.882	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	16.1	-179.6	-50.4	-31.1	0	0	0	116.5
467	L	88.3	Confident	90.3	Very high	52 Å²	52	51.5 Å²	51.5	27%	0.272	28%	0.28	S	S	.	.			trans	-91.6	146.4	171.8	-63.5	179.6	0	0	0	111.1	Q471 L472 V475	L467-Q471 HydrophobicContact CB-CB 4.09Å; L467-Q471 HydrophobicContact CD2-CB 4.34Å; L467-L472 HydrophobicContact CB-CD2 3.93Å; L467-L472 HydrophobicContact CB-CG 3.93Å; L467-L472 HydrophobicContact CD1-CD2 4.12Å; L467-V475 HydrophobicContact CD1-CB 4.13Å; L467-V475 HydrophobicContact CD1-CG1 4.13Å; L467-V475 HydrophobicContact CD1-CG2 3.77Å
468	T	90.7	Very high	90.3	Very high	78 Å²	78	58.2 Å²	58.2	48%	0.479	31%	0.305	S	S	.	.			trans	-73.9	160.3	172.2	65.4	0	0	0	0	110.9	H470 Q471 L472	T468-H470 PolarHBondContact O-N 3.47Å; T468-Q471 VanDerWaalsContact N-OE1 3.14Å; T468-Q471 WeakPolarHBondContact O-CB 3.44Å; T468-Q471 PolarHBondContact O-N 3.1Å; T468-Q471 WeakPolarHBondContact OG1-CG 3.49Å; T468-Q471 PolarHBondContact OG1-N 3.43Å; T468-L472 WeakPolarHBondContact O-CG 3.44Å; T468-L472 PolarHBondContact O-N 3.02Å
469	N	89.4	Confident	90.2	Very high	72 Å²	72	58.9 Å²	58.9	39%	0.385	31%	0.309	S	S	.	.	H	α-helix	trans	-56.4	-36.7	178.5	-69.5	-6.5	0	0	0	112.6	Y432 Y439 L472 A473	Y432-N469 HydrophobicContact CD1-CB 3.7Å; Y432-N469 HydrophobicContact CD2-CB 3.8Å; Y432-N469 HydrophobicContact CE1-CB 3.79Å; Y432-N469 HydrophobicContact CE2-CB 3.89Å; Y432-N469 HydrophobicContact CG-CB 3.69Å; Y432-N469 PolarHBondContact OH-ND2 3.19Å; Y439-N469 WeakPolarHBondContact CE1-O 3.48Å; Y439-N469 WeakPolarHBondContact OH-CA 3.23Å; Y439-N469 PolarHBondContact OH-O 3.25Å; N469-L472 PolarHBondContact O-N 3.38Å; N469-A473 PolarHBondContact O-N 2.73Å
470	H	88.9	Confident	90.2	Very high	76 Å²	76	58.4 Å²	58.4	35%	0.352	31%	0.306	S	S	.	.	H	α-helix	trans	-60.2	-42.8	172.4	-75.6	-70.6	0	0	0	113.2	Y432 E434 T468 A473	Y432-H470 PolarHBondContact O-CE1 2.71Å; Y432-H470 PolarHBondContact O-ND1 2.87Å; E434-H470 WeakPolarHBondContact CG-NE2 3.17Å; E434-H470 IonicContact OE1-CD2 3.37Å; E434-H470 PolarHBondContact OE1-CD2 2.92Å; E434-H470 IonicContact OE1-CE1 2.91Å; E434-H470 IonicContact OE1-NE2 3.97Å; E434-H470 PolarHBondContact OE1-NE2 3.36Å; T468-H470 PolarHBondContact O-N 3.47Å; H470-A473 WeakPolarHBondContact O-CB 3.39Å; H470-A473 PolarHBondContact O-N 3.3Å
471	Q	90.2	Very high	90.4	Very high	90 Å²	90	60.2 Å²	60.2	42%	0.421	31%	0.311	S	S	.	.	H	α-helix	trans	-72	-40	179.2	-71.2	172.3	-26.2	0	0	111.5	L467 T468 A473 M474 V475	L467-Q471 HydrophobicContact CB-CB 4.09Å; L467-Q471 HydrophobicContact CD2-CB 4.34Å; T468-Q471 VanDerWaalsContact N-OE1 3.14Å; T468-Q471 WeakPolarHBondContact O-CB 3.44Å; T468-Q471 PolarHBondContact O-N 3.1Å; T468-Q471 WeakPolarHBondContact OG1-CG 3.49Å; T468-Q471 PolarHBondContact OG1-N 3.43Å; Q471-A473 PolarHBondContact O-N 2.87Å; Q471-A473 VanDerWaalsContact O-N 3.13Å; Q471-M474 PolarHBondContact O-N 2.77Å; Q471-V475 WeakPolarHBondContact O-CB 3.3Å; Q471-V475 PolarHBondContact O-N 2.94Å
472	L	91.3	Very high	90.5	Very high	33 Å²	33	61 Å²	61	17%	0.173	31%	0.314	C	S	.	.	H	α-helix	trans	-59.7	-21.8	177.4	-73.6	172.4	0	0	0	113.2	P396 K464 L467 T468 N469 M474	P396-L472 HydrophobicContact CG-CB 4.31Å; K464-L472 HydrophobicContact CB-CD2 3.84Å; K464-L472 HydrophobicContact CD-CD2 4.15Å; K464-L472 HydrophobicContact CG-CD2 4.16Å; L467-L472 HydrophobicContact CB-CD2 3.93Å; L467-L472 HydrophobicContact CB-CG 3.93Å; L467-L472 HydrophobicContact CD1-CD2 4.12Å; T468-L472 WeakPolarHBondContact O-CG 3.44Å; T468-L472 PolarHBondContact O-N 3.02Å; N469-L472 PolarHBondContact O-N 3.38Å; L472-M474 VanDerWaalsContact C-N 3.28Å; L472-M474 PolarHBondContact O-N 2.88Å
473	A	90.4	Very high	90.5	Very high	2 Å²	2	63 Å²	63	2%	0.017	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-34	-178.3	0	0	0	0	0	113.5	M430 Y439 N469 H470 Q471	M430-A473 WeakPolarHBondContact CE-O 3.49Å; M430-A473 HydrophobicContact CG-CB 4.48Å; M430-A473 WeakPolarHBondContact O-CB 3.38Å; Y439-A473 HydrophobicContact CD1-CB 4.09Å; Y439-A473 HydrophobicContact CE1-CB 3.83Å; N469-A473 PolarHBondContact O-N 2.73Å; H470-A473 WeakPolarHBondContact O-CB 3.39Å; H470-A473 PolarHBondContact O-N 3.3Å; Q471-A473 PolarHBondContact O-N 2.87Å; Q471-A473 VanDerWaalsContact O-N 3.13Å
474	M	92.7	Very high	90.6	Very high	21 Å²	21	60.4 Å²	60.4	10%	0.103	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140.7	13.9	-168.3	-72.4	-70.1	-67.8	0	0	113.6	M430 V451 E455 Q471 L472 N477 R478	M430-M474 HydrophobicContact CB-SD 4.46Å; M430-M474 WeakPolarHBondContact O-CG 3.39Å; V451-M474 HydrophobicContact CG1-CE 4.36Å; V451-M474 HydrophobicContact CG1-SD 3.37Å; V451-M474 WeakPolarHBondContact CG1-SD 3.37Å; E455-M474 WeakPolarHBondContact OE1-CA 3.42Å; Q471-M474 PolarHBondContact O-N 2.77Å; L472-M474 VanDerWaalsContact C-N 3.28Å; L472-M474 PolarHBondContact O-N 2.88Å; M474-N477 HydrophobicContact CE-CB 3.97Å; M474-N477 PolarHBondContact O-N 3.18Å; M474-N477 HydrophobicContact SD-CB 4.42Å; M474-R478 HydrophobicContact CB-CG 4.32Å; M474-R478 VanDerWaalsContact O-CB 3.31Å; M474-R478 WeakPolarHBondContact O-CB 3.43Å; M474-R478 VanDerWaalsContact O-CG 3.26Å; M474-R478 WeakPolarHBondContact O-CG 3.31Å; M474-R478 PolarHBondContact O-N 3.04Å
475	V	94.4	Very high	90.8	Very high	25 Å²	25	61.7 Å²	61.7	15%	0.152	31%	0.309	C	S	.	.	H	α-helix	trans	-64.4	-47.5	-168.8	67.8	0	0	0	0	112.9	E455 V462 K464 L467 Q471 R478 D479	E455-V475 PolarHBondContact OE1-N 3.32Å; E455-V475 WeakPolarHBondContact OE2-CG1 3.13Å; E455-V475 PolarHBondContact OE2-N 2.77Å; V462-V475 HydrophobicContact CG1-CG2 3.72Å; K464-V475 HydrophobicContact CG-CG1 4.43Å; L467-V475 HydrophobicContact CD1-CB 4.13Å; L467-V475 HydrophobicContact CD1-CG1 4.13Å; L467-V475 HydrophobicContact CD1-CG2 3.77Å; Q471-V475 WeakPolarHBondContact O-CB 3.3Å; Q471-V475 PolarHBondContact O-N 2.94Å; V475-R478 PolarHBondContact O-N 2.99Å; V475-D479 PolarHBondContact O-N 3.29Å; V475-D479 VanDerWaalsContact O-N 3.15Å
476	C	94.3	Very high	91.2	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.007	30%	0.303	C	S	.	.	H	α-helix	trans	-69.7	-39.7	179.7	-61.3	0	0	0	0	111.1	V454 E455 N458 K464 D479 I480	V454-C476 HydrophobicContact CG1-CB 4.28Å; E455-C476 PolarHBondContact OE1-N 3.39Å; E455-C476 VanDerWaalsContact OE2-CB 3.3Å; E455-C476 WeakPolarHBondContact OE2-CB 3.3Å; E455-C476 PolarHBondContact OE2-N 3.01Å; E455-C476 PolarHBondContact OE2-SG 3.24Å; E455-C476 VanDerWaalsContact OE2-SG 3.33Å; N458-C476 VanDerWaalsContact CG-SG 3.57Å; N458-C476 PolarHBondContact OD1-SG 3.01Å; K464-C476 WeakPolarHBondContact CE-SG 3.46Å; C476-D479 PolarHBondContact O-N 2.83Å; C476-I480 PolarHBondContact O-N 3.34Å; C476-I480 VanDerWaalsContact O-N 3.08Å
477	N	94.8	Very high	91.6	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-61	-46.4	175.6	-80.7	-85.9	0	0	0	111.7	S423 V451 E455 M474 D479 I480 Q481	S423-N477 WeakPolarHBondContact CB-OD1 3.31Å; S423-N477 PolarHBondContact OG-OD1 3.3Å; V451-N477 PolarHBondContact O-ND2 3.03Å; E455-N477 PolarHBondContact OE1-N 3Å; E455-N477 PolarHBondContact OE1-ND2 3.44Å; M474-N477 HydrophobicContact CE-CB 3.97Å; M474-N477 PolarHBondContact O-N 3.18Å; M474-N477 HydrophobicContact SD-CB 4.42Å; N477-D479 PolarHBondContact O-N 2.86Å; N477-I480 PolarHBondContact O-N 2.88Å; N477-Q481 WeakPolarHBondContact O-CB 3.39Å; N477-Q481 VanDerWaalsContact O-CG 3.23Å; N477-Q481 WeakPolarHBondContact O-CG 3.33Å; N477-Q481 PolarHBondContact O-N 3.44Å
478	R	93.6	Very high	91.7	Very high	147 Å²	147	60.2 Å²	60.2	56%	0.555	28%	0.279	S	S	*	.	H	α-helix	trans	-61	-35.3	177.3	-78.7	177.5	175.4	179.6	1.6	112.2	M474 V475 Q481 K482	M474-R478 HydrophobicContact CB-CG 4.32Å; M474-R478 VanDerWaalsContact O-CB 3.31Å; M474-R478 WeakPolarHBondContact O-CB 3.43Å; M474-R478 VanDerWaalsContact O-CG 3.26Å; M474-R478 WeakPolarHBondContact O-CG 3.31Å; M474-R478 PolarHBondContact O-N 3.04Å; V475-R478 PolarHBondContact O-N 2.99Å; R478-Q481 PolarHBondContact O-N 2.82Å; R478-K482 WeakPolarHBondContact O-CG 3.37Å; R478-K482 PolarHBondContact O-N 2.77Å; R478-K482 VanDerWaalsContact O-N 3.14Å
479	D	93.2	Very high	91.7	Very high	51 Å²	51	58.3 Å²	58.3	27%	0.273	27%	0.267	S	S	.	.	H	α-helix	trans	-67.5	-43.3	177.4	-160.5	56.9	0	0	0	111.7	T460 V462 V475 C476 N477 K482	T460-D479 WeakPolarHBondContact CB-OD2 3.38Å; T460-D479 WeakPolarHBondContact CG2-OD2 3.2Å; T460-D479 PolarHBondContact OG1-OD2 3.42Å; V462-D479 HydrophobicContact CG2-CB 3.8Å; V462-D479 WeakPolarHBondContact CG2-OD2 3.16Å; V475-D479 PolarHBondContact O-N 3.29Å; V475-D479 VanDerWaalsContact O-N 3.15Å; C476-D479 PolarHBondContact O-N 2.83Å; N477-D479 PolarHBondContact O-N 2.86Å; D479-K482 PolarHBondContact O-N 2.91Å
480	I	93	Very high	91.8	Very high	1 Å²	1	55 Å²	55	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-62.4	-43.9	172.5	-65.9	175.9	0	0	0	112	A419 Q420 L424 V454 V459 T460 C476 N477 K482 M483	A419-I480 HydrophobicContact CB-CD1 4.14Å; Q420-I480 HydrophobicContact CB-CG2 4.48Å; Q420-I480 HydrophobicContact CG-CG2 4.15Å; L424-I480 HydrophobicContact CD1-CG2 4.2Å; L424-I480 HydrophobicContact CG-CG2 4.27Å; V454-I480 HydrophobicContact CG1-CD1 3.65Å; V459-I480 HydrophobicContact CG2-CD1 3.94Å; T460-I480 HydrophobicContact CG2-CG1 4.08Å; C476-I480 PolarHBondContact O-N 3.34Å; C476-I480 VanDerWaalsContact O-N 3.08Å; N477-I480 PolarHBondContact O-N 2.88Å; I480-K482 PolarHBondContact O-N 2.95Å; I480-M483 HydrophobicContact CB-CE 4.19Å; I480-M483 HydrophobicContact CG1-CE 3.92Å; I480-M483 HydrophobicContact CG2-CE 4.48Å; I480-M483 WeakPolarHBondContact O-CB 3.41Å; I480-M483 PolarHBondContact O-N 3.39Å
481	Q	92.2	Very high	91.8	Very high	79 Å²	79	54.8 Å²	54.8	37%	0.369	25%	0.248	S	C	.	.	H	α-helix	trans	-64	-24.7	179.3	-72.1	169.9	-3.8	0	0	113.2	L424 N477 R478 M483	L424-Q481 HydrophobicContact CD2-CG 4.16Å; N477-Q481 WeakPolarHBondContact O-CB 3.39Å; N477-Q481 VanDerWaalsContact O-CG 3.23Å; N477-Q481 WeakPolarHBondContact O-CG 3.33Å; N477-Q481 PolarHBondContact O-N 3.44Å; R478-Q481 PolarHBondContact O-N 2.82Å; Q481-M483 VanDerWaalsContact C-N 3.34Å
482	K	91.6	Very high	91.6	Very high	141 Å²	141	54 Å²	54	61%	0.613	24%	0.244	S	C	*	.	H	α-helix	trans	-73	-27	172.6	-73	168.7	-174	176.2	0	112.9	R478 D479 I480 F484 Q506	R478-K482 WeakPolarHBondContact O-CG 3.37Å; R478-K482 PolarHBondContact O-N 2.77Å; R478-K482 VanDerWaalsContact O-N 3.14Å; D479-K482 PolarHBondContact O-N 2.91Å; I480-K482 PolarHBondContact O-N 2.95Å; K482-F484 VanDerWaalsContact C-N 3.28Å; K482-F484 PolarHBondContact O-N 3.19Å; K482-Q506 VanDerWaalsContact O-CD 3.3Å; K482-Q506 PolarHBondContact O-OE1 3.13Å; K482-Q506 VanDerWaalsContact O-OE1 3.11Å
483	M	90	Very high	91.1	Very high	75 Å²	75	52.6 Å²	52.6	37%	0.369	24%	0.237	S	C	.	.	H	α-helix	trans	-74	-21.1	-179.2	-65.5	-171.1	-81.1	0	0	112.9	T460 I480 Q481 Q506	T460-M483 HydrophobicContact CG2-CE 3.48Å; T460-M483 VanDerWaalsContact CG2-CE 3.48Å; I480-M483 HydrophobicContact CB-CE 4.19Å; I480-M483 HydrophobicContact CG1-CE 3.92Å; I480-M483 HydrophobicContact CG2-CE 4.48Å; I480-M483 WeakPolarHBondContact O-CB 3.41Å; I480-M483 PolarHBondContact O-N 3.39Å; Q481-M483 VanDerWaalsContact C-N 3.34Å; M483-Q506 PolarHBondContact O-N 3.01Å
484	F	90.8	Very high	90.1	Very high	23 Å²	23	56.1 Å²	56.1	10%	0.101	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	131.8	-174.7	-63.3	-92.9	0	0	0	111.6	Q420 L424 K482 V503 I504 P505 F517	Q420-F484 HydrophobicContact CG-CE2 4.05Å; L424-F484 HydrophobicContact CD1-CB 3.75Å; L424-F484 HydrophobicContact CD1-CD1 4.42Å; L424-F484 HydrophobicContact CD1-CD2 3.52Å; L424-F484 HydrophobicContact CD1-CE2 4.2Å; L424-F484 HydrophobicContact CD1-CG 3.65Å; L424-F484 HydrophobicContact CD2-CB 4.1Å; K482-F484 VanDerWaalsContact C-N 3.28Å; K482-F484 PolarHBondContact O-N 3.19Å; F484-V503 HydrophobicContact CB-CB 4.29Å; F484-V503 HydrophobicContact CD1-CB 4.32Å; F484-V503 HydrophobicContact CD1-CG2 4.04Å; F484-I504 CarbonylContact C-O 3.5Å; F484-I504 WeakPolarHBondContact CA-O 3.28Å; F484-P505 HydrophobicContact CD1-CB 4.33Å; F484-P505 HydrophobicContact CD1-CG 4.14Å; F484-P505 HydrophobicContact CE1-CB 4.32Å; F484-P505 HydrophobicContact CE1-CG 3.98Å; F484-F517 HydrophobicContact CE1-CE2 4.48Å; F484-F517 HydrophobicContact CE1-CZ 4.38Å; F484-F517 HydrophobicContact CZ-CZ 4.5Å
485	E	90.6	Very high	89.2	Confident	83 Å²	83	60.1 Å²	60.1	39%	0.388	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	115.6	166.1	-167.6	-169.7	171.5	0	0	109.8	K487 V503 I504 Q506	E485-K487 VanDerWaalsContact CD-CE 3.48Å; E485-K487 PolarHBondContact O-N 2.58Å; E485-K487 WeakPolarHBondContact OE1-CE 3.33Å; E485-K487 IonicContact OE1-NZ 3.19Å; E485-K487 PolarHBondContact OE1-NZ 2.85Å; E485-K487 VanDerWaalsContact OE2-CE 3.28Å; E485-K487 WeakPolarHBondContact OE2-CE 3.12Å; E485-K487 IonicContact OE2-NZ 2.77Å; E485-K487 PolarHBondContact OE2-NZ 3.28Å; E485-V503 WeakPolarHBondContact O-CA 3.25Å; E485-I504 PolarHBondContact N-O 3.36Å; E485-I504 PolarHBondContact O-N 3.04Å; E485-Q506 HydrophobicContact CB-CG 4.33Å
486	R	91	Very high	88.8	Confident	118 Å²	118	59.1 Å²	59.1	45%	0.445	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	109.8	172.8	-175.7	171.3	84	155.3	12.3	110	N426 D427 T501	N426-R486 PolarHBondContact O-NH1 3.23Å; D427-R486 IonicContact OD1-CZ 3.01Å; D427-R486 IonicContact OD1-NH1 3.24Å; D427-R486 PolarHBondContact OD1-NH1 3.01Å; D427-R486 IonicContact OD1-NH2 3.37Å; R486-T501 VanDerWaalsContact CD-CG2 3.48Å; R486-T501 HydrophobicContact CG-CG2 3.39Å
487	K	91.4	Very high	88.5	Confident	100 Å²	100	64.1 Å²	64.1	44%	0.435	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-50.6	-178.5	-68.6	-67.3	-175.9	-170.4	0	112.7	E485 Y502 I504	E485-K487 VanDerWaalsContact CD-CE 3.48Å; E485-K487 PolarHBondContact O-N 2.58Å; E485-K487 WeakPolarHBondContact OE1-CE 3.33Å; E485-K487 IonicContact OE1-NZ 3.19Å; E485-K487 PolarHBondContact OE1-NZ 2.85Å; E485-K487 VanDerWaalsContact OE2-CE 3.28Å; E485-K487 WeakPolarHBondContact OE2-CE 3.12Å; E485-K487 IonicContact OE2-NZ 2.77Å; E485-K487 PolarHBondContact OE2-NZ 3.28Å; K487-Y502 HydrophobicContact CB-CD1 3.85Å; K487-Y502 HydrophobicContact CG-CD1 3.99Å; K487-Y502 HydrophobicContact CG-CE1 4.29Å; K487-Y502 PolarHBondContact N-O 3.38Å; K487-I504 HydrophobicContact CD-CD1 4.22Å; K487-I504 HydrophobicContact CG-CD1 3.89Å; K487-I504 HydrophobicContact CG-CG1 3.98Å
488	F	91	Very high	88.3	Confident	48 Å²	48	64.1 Å²	64.1	21%	0.211	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	162.6	178.8	56.2	-96	0	0	0	111.1	L490 Y502 F578 L580	F488-L490 HydrophobicContact CD2-CD2 4.1Å; F488-L490 HydrophobicContact CE2-CD2 4.01Å; F488-L490 HydrophobicContact CE2-CG 4.44Å; F488-Y502 HydrophobicContact CD1-CD1 4.37Å; F488-Y502 AromaticContact CE1-CD1 3.63Å; F488-Y502 HydrophobicContact CE1-CD1 3.63Å; F488-Y502 HydrophobicContact CE1-CE1 4.42Å; F488-Y502 AromaticContact CE1-CG 3.93Å; F488-Y502 HydrophobicContact CE1-CG 3.93Å; F488-Y502 HydrophobicContact CE2-CG 4.21Å; F488-Y502 VanDerWaalsContact CZ-CB 3.44Å; F488-Y502 AromaticContact CZ-CD1 3.82Å; F488-Y502 HydrophobicContact CZ-CD1 3.82Å; F488-Y502 HydrophobicContact CZ-CD2 4.35Å; F488-Y502 AromaticContact CZ-CG 3.63Å; F488-Y502 HydrophobicContact CZ-CG 3.63Å; F488-Y502 PolarHBondContact O-N 3.15Å; F488-F578 HydrophobicContact CE1-CD2 4.41Å; F488-F578 HydrophobicContact CE2-CB 4.48Å; F488-F578 HydrophobicContact CE2-CD1 4.09Å; F488-F578 HydrophobicContact CE2-CD2 4.46Å; F488-F578 HydrophobicContact CE2-CE1 4.4Å; F488-F578 HydrophobicContact CE2-CG 4.11Å; F488-F578 HydrophobicContact CZ-CB 4.06Å; F488-F578 HydrophobicContact CZ-CD1 4.02Å; F488-F578 AromaticContact CZ-CD2 3.59Å; F488-F578 HydrophobicContact CZ-CD2 3.59Å; F488-F578 HydrophobicContact CZ-CE1 4.32Å; F488-F578 AromaticContact CZ-CE2 3.92Å; F488-F578 HydrophobicContact CZ-CE2 3.92Å; F488-F578 AromaticContact CZ-CG 3.63Å; F488-F578 HydrophobicContact CZ-CG 3.63Å; F488-F578 HydrophobicContact CZ-CZ 4.26Å; F488-L580 HydrophobicContact CB-CD1 4.41Å; F488-L580 HydrophobicContact CD1-CD1 4.1Å; F488-L580 HydrophobicContact CD2-CD1 4.31Å; F488-L580 HydrophobicContact CD2-CD2 3.62Å; F488-L580 HydrophobicContact CE1-CD1 4.5Å; F488-L580 HydrophobicContact CE2-CD2 3.58Å; F488-L580 HydrophobicContact CG-CD1 4.02Å; F488-L580 HydrophobicContact CG-CD2 4.18Å; F488-L580 HydrophobicContact CZ-CD2 4.11Å
489	T	91.7	Very high	88.3	Confident	38 Å²	38	57.9 Å²	57.9	23%	0.233	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.5	176.3	-61.9	0	0	0	0	108.7	E491 M499 S500 T501	T489-E491 PolarHBondContact O-N 3.07Å; T489-M499 HydrophobicContact CG2-CE 4.5Å; T489-M499 HydrophobicContact CG2-CG 3.92Å; T489-M499 HydrophobicContact CG2-SD 4.22Å; T489-S500 CarbonylContact C-O 3.49Å; T489-S500 WeakPolarHBondContact CA-O 3.49Å; T489-S500 WeakPolarHBondContact CG2-O 3.28Å; T489-T501 PolarHBondContact OG1-OG1 2.8Å
490	L	91.4	Very high	88.4	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	98.4	162.6	-54.2	-174.8	0	0	0	106.8	F488 R496 S500 L580 F586 Y589	F488-L490 HydrophobicContact CD2-CD2 4.1Å; F488-L490 HydrophobicContact CE2-CD2 4.01Å; F488-L490 HydrophobicContact CE2-CG 4.44Å; L490-R496 PolarHBondContact O-NH2 3.36Å; L490-S500 WeakPolarHBondContact CB-OG 3.41Å; L490-S500 WeakPolarHBondContact CD1-OG 3.5Å; L490-S500 PolarHBondContact N-O 2.61Å; L490-S500 PolarHBondContact O-N 2.81Å; L490-L580 HydrophobicContact CD2-CD2 3.7Å; L490-F586 HydrophobicContact CB-CB 4.43Å; L490-F586 HydrophobicContact CB-CD2 3.9Å; L490-F586 HydrophobicContact CB-CE2 4.31Å; L490-F586 HydrophobicContact CB-CG 4.09Å; L490-F586 HydrophobicContact CD1-CB 4.22Å; L490-F586 HydrophobicContact CD1-CD1 4.37Å; L490-F586 HydrophobicContact CD1-CG 4.25Å; L490-F586 HydrophobicContact CD2-CD1 3.83Å; L490-F586 HydrophobicContact CD2-CD2 4.33Å; L490-F586 HydrophobicContact CD2-CE1 3.79Å; L490-F586 HydrophobicContact CD2-CE2 4.29Å; L490-F586 HydrophobicContact CD2-CG 4.12Å; L490-F586 HydrophobicContact CD2-CZ 4.03Å; L490-F586 HydrophobicContact CG-CG 4.39Å; L490-Y589 HydrophobicContact CD1-CD2 3.97Å
491	E	87.2	Confident	88.5	Confident	72 Å²	72	55.4 Å²	55.4	34%	0.336	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	151.8	-175.6	59.7	-176	139.3	0	0	112.5	T172 T489 S493 R496 F586	T172-E491 WeakPolarHBondContact CB-OE1 3.28Å; T172-E491 WeakPolarHBondContact CB-OE2 3.21Å; T172-E491 HydrophobicContact CG2-CG 3.79Å; T172-E491 WeakPolarHBondContact CG2-OE1 3.37Å; T172-E491 PolarHBondContact OG1-OE1 3.36Å; T489-E491 PolarHBondContact O-N 3.07Å; E491-S493 PolarHBondContact O-N 2.94Å; E491-R496 PolarHBondContact O-NH1 3.16Å; E491-R496 PolarHBondContact O-NH2 2.81Å; E491-F586 HydrophobicContact CG-CE2 4.16Å
492	F	87.2	Confident	88.7	Confident	74 Å²	74	52.4 Å²	52.4	33%	0.325	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	128	179.1	178.4	-90.7	0	0	0	110.8	T173 K497 S498 M499	T173-F492 WeakPolarHBondContact CG2-O 3.23Å; F492-K497 HydrophobicContact CE2-CB 4.45Å; F492-K497 HydrophobicContact CZ-CB 4.47Å; F492-S498 WeakPolarHBondContact CA-O 3.44Å; F492-M499 HydrophobicContact CB-CB 4.23Å; F492-M499 HydrophobicContact CB-CE 4.43Å
493	S	79.7	Confident	88.8	Confident	4 Å²	4	45.7 Å²	45.7	3%	0.028	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	150.1	168.8	78.6	0	0	0	0	111.5	E491 D495 R496 K497	E491-S493 PolarHBondContact O-N 2.94Å; S493-D495 WeakPolarHBondContact CB-OD1 3.33Å; S493-D495 PolarHBondContact OG-OD1 3.26Å; S493-R496 WeakPolarHBondContact OG-CG 3.42Å; S493-R496 PolarHBondContact OG-NH1 3.09Å; S493-K497 WeakPolarHBondContact O-CA 2.99Å; S493-K497 PolarHBondContact O-N 3.12Å
494	R	70.1	Confident	88.8	Confident	75 Å²	75	44 Å²	44	28%	0.283	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-30.2	-167.6	-142.7	-176.2	-167	158.7	9	113.5	S189 H191 K497	S189-R494 VanDerWaalsContact C-NH1 3.28Å; S189-R494 PolarHBondContact O-NH1 2.77Å; S189-R494 PolarHBondContact O-NH2 3.5Å; S189-R494 WeakPolarHBondContact OG-CD 3.26Å; H191-R494 PolarHBondContact CD2-NH1 3.22Å; R494-K497 VanDerWaalsContact O-CG 3.23Å; R494-K497 WeakPolarHBondContact O-CG 3.22Å
495	D	74	Confident	88.6	Confident	106 Å²	106	44 Å²	44	57%	0.567	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-39.9	177.1	58.2	-61.2	0	0	0	111.9	S493	S493-D495 WeakPolarHBondContact CB-OD1 3.33Å; S493-D495 PolarHBondContact OG-OD1 3.26Å
496	R	85.2	Confident	88.2	Confident	3 Å²	3	46 Å²	46	1%	0.011	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-16.1	179.1	74.9	-170.4	-156.7	-88.4	4	114.7	L490 E491 S493 S498 S524 R528 K587 E590	L490-R496 PolarHBondContact O-NH2 3.36Å; E491-R496 PolarHBondContact O-NH1 3.16Å; E491-R496 PolarHBondContact O-NH2 2.81Å; S493-R496 WeakPolarHBondContact OG-CG 3.42Å; S493-R496 PolarHBondContact OG-NH1 3.09Å; R496-S498 WeakPolarHBondContact CG-OG 3.12Å; R496-S498 VanDerWaalsContact CZ-O 3.28Å; R496-S498 PolarHBondContact NE-O 2.87Å; R496-S498 PolarHBondContact NH2-O 3.19Å; R496-S498 PolarHBondContact O-N 2.78Å; R496-S498 PolarHBondContact O-OG 3.47Å; R496-S524 WeakPolarHBondContact O-CB 3.28Å; R496-R528 PolarHBondContact O-NH2 3.24Å; R496-K587 HydrophobicContact CB-CB 4.39Å; R496-K587 HydrophobicContact CB-CG 4.38Å; R496-E590 WeakPolarHBondContact CD-OE2 3.38Å; R496-E590 IonicContact CZ-OE1 3.68Å; R496-E590 VanDerWaalsContact NE-CD 3.3Å; R496-E590 IonicContact NE-OE1 2.76Å; R496-E590 PolarHBondContact NE-OE1 3.26Å; R496-E590 IonicContact NE-OE2 3.27Å; R496-E590 PolarHBondContact NE-OE2 3.48Å; R496-E590 IonicContact NH2-OE1 3.75Å; R496-E590 PolarHBondContact NH2-OE1 3.29Å
497	K	87.8	Confident	87.2	Confident	107 Å²	107	43.6 Å²	43.6	47%	0.465	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	37.9	-180	-57.3	-178.3	-178.5	171.1	0	113.5	F492 S493 R494 G520 A521	F492-K497 HydrophobicContact CE2-CB 4.45Å; F492-K497 HydrophobicContact CZ-CB 4.47Å; S493-K497 WeakPolarHBondContact O-CA 2.99Å; S493-K497 PolarHBondContact O-N 3.12Å; R494-K497 VanDerWaalsContact O-CG 3.23Å; R494-K497 WeakPolarHBondContact O-CG 3.22Å; K497-G520 CarbonylContact O-C 3.56Å; K497-G520 VanDerWaalsContact O-CA 3.26Å; K497-G520 WeakPolarHBondContact O-CA 3.45Å; K497-A521 HydrophobicContact CB-CB 3.74Å; K497-A521 HydrophobicContact CD-CB 4.12Å; K497-A521 PolarHBondContact O-N 3.42Å
498	S	92.1	Very high	85.5	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	159.2	178	50.7	0	0	0	0	111.1	F492 R496 K519 R528 E590	F492-S498 WeakPolarHBondContact CA-O 3.44Å; R496-S498 WeakPolarHBondContact CG-OG 3.12Å; R496-S498 VanDerWaalsContact CZ-O 3.28Å; R496-S498 PolarHBondContact NE-O 2.87Å; R496-S498 PolarHBondContact NH2-O 3.19Å; R496-S498 PolarHBondContact O-N 2.78Å; R496-S498 PolarHBondContact O-OG 3.47Å; S498-K519 CarbonylContact C-O 3.59Å; S498-K519 WeakPolarHBondContact CA-O 3.36Å; S498-K519 VanDerWaalsContact CB-O 3.28Å; S498-K519 WeakPolarHBondContact CB-O 3.41Å; S498-R528 PolarHBondContact OG-NH1 3.3Å; S498-R528 PolarHBondContact OG-NH2 3.42Å; S498-E590 PolarHBondContact OG-OE2 3.21Å
499	M	93.6	Very high	83.8	Confident	16 Å²	16	52 Å²	52	8%	0.079	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	148.2	170.4	172.3	-170.9	-86.2	0	0	107.1	D427 T489 F492 V518 K519	D427-M499 WeakPolarHBondContact OD2-CE 3.25Å; T489-M499 HydrophobicContact CG2-CE 4.5Å; T489-M499 HydrophobicContact CG2-CG 3.92Å; T489-M499 HydrophobicContact CG2-SD 4.22Å; F492-M499 HydrophobicContact CB-CB 4.23Å; F492-M499 HydrophobicContact CB-CE 4.43Å; M499-V518 WeakPolarHBondContact O-CA 3.4Å; M499-K519 HydrophobicContact CB-CG 4.32Å; M499-K519 PolarHBondContact N-O 2.72Å; M499-K519 PolarHBondContact O-N 2.87Å; M499-K519 WeakPolarHBondContact SD-CE 3.41Å
500	S	95.4	Very high	81.2	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	159.5	171.6	61.4	0	0	0	0	113.2	T489 L490 F517 E590	T489-S500 CarbonylContact C-O 3.49Å; T489-S500 WeakPolarHBondContact CA-O 3.49Å; T489-S500 WeakPolarHBondContact CG2-O 3.28Å; L490-S500 WeakPolarHBondContact CB-OG 3.41Å; L490-S500 WeakPolarHBondContact CD1-OG 3.5Å; L490-S500 PolarHBondContact N-O 2.61Å; L490-S500 PolarHBondContact O-N 2.81Å; S500-F517 CarbonylContact C-O 3.52Å; S500-F517 WeakPolarHBondContact CA-O 3.3Å; S500-F517 WeakPolarHBondContact CB-O 3.39Å; S500-E590 VanDerWaalsContact CB-OE1 3.28Å; S500-E590 WeakPolarHBondContact CB-OE1 3.42Å; S500-E590 WeakPolarHBondContact OG-CG 3.4Å; S500-E590 PolarHBondContact OG-OE1 3.03Å
501	T	95.2	Very high	79.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	128.1	-176.7	-59.5	0	0	0	0	109.7	C425 R486 T489 V503 L516 F517	C425-T501 WeakPolarHBondContact CA-OG1 3.48Å; R486-T501 VanDerWaalsContact CD-CG2 3.48Å; R486-T501 HydrophobicContact CG-CG2 3.39Å; T489-T501 PolarHBondContact OG1-OG1 2.8Å; T501-V503 HydrophobicContact CG2-CG1 3.91Å; T501-L516 WeakPolarHBondContact O-CA 3.27Å; T501-F517 PolarHBondContact N-O 3.15Å; T501-F517 PolarHBondContact O-N 3.27Å
502	Y	94.9	Very high	77.8	Confident	16 Å²	16	59.3 Å²	59.3	6%	0.063	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	123.1	177	-173.4	-105.1	0	0	0	110	K487 F488 I504 E514 L516 P574 F578	K487-Y502 HydrophobicContact CB-CD1 3.85Å; K487-Y502 HydrophobicContact CG-CD1 3.99Å; K487-Y502 HydrophobicContact CG-CE1 4.29Å; K487-Y502 PolarHBondContact N-O 3.38Å; F488-Y502 HydrophobicContact CD1-CD1 4.37Å; F488-Y502 AromaticContact CE1-CD1 3.63Å; F488-Y502 HydrophobicContact CE1-CD1 3.63Å; F488-Y502 HydrophobicContact CE1-CE1 4.42Å; F488-Y502 AromaticContact CE1-CG 3.93Å; F488-Y502 HydrophobicContact CE1-CG 3.93Å; F488-Y502 HydrophobicContact CE2-CG 4.21Å; F488-Y502 VanDerWaalsContact CZ-CB 3.44Å; F488-Y502 AromaticContact CZ-CD1 3.82Å; F488-Y502 HydrophobicContact CZ-CD1 3.82Å; F488-Y502 HydrophobicContact CZ-CD2 4.35Å; F488-Y502 AromaticContact CZ-CG 3.63Å; F488-Y502 HydrophobicContact CZ-CG 3.63Å; F488-Y502 PolarHBondContact O-N 3.15Å; Y502-I504 HydrophobicContact CE1-CD1 4.19Å; Y502-I504 HydrophobicContact CE1-CG1 4.05Å; Y502-E514 HydrophobicContact CE2-CB 4.18Å; Y502-E514 WeakPolarHBondContact OH-CB 3.33Å; Y502-E514 PolarHBondContact OH-OE1 3.46Å; Y502-E514 PolarHBondContact OH-OE2 3Å; Y502-L516 HydrophobicContact CD2-CD1 4.25Å; Y502-P574 HydrophobicContact CD2-CB 4.18Å; Y502-P574 HydrophobicContact CD2-CG 4.3Å; Y502-P574 HydrophobicContact CE2-CB 3.75Å; Y502-P574 HydrophobicContact CE2-CG 3.58Å; Y502-F578 AromaticContact CD2-CE2 3.75Å; Y502-F578 HydrophobicContact CD2-CE2 3.75Å; Y502-F578 AromaticContact CD2-CZ 3.64Å; Y502-F578 HydrophobicContact CD2-CZ 3.64Å; Y502-F578 AromaticContact CE2-CE2 3.63Å; Y502-F578 HydrophobicContact CE2-CE2 3.63Å; Y502-F578 AromaticContact CE2-CZ 3.85Å; Y502-F578 HydrophobicContact CE2-CZ 3.85Å; Y502-F578 HydrophobicContact CG-CE2 4.35Å; Y502-F578 HydrophobicContact CG-CZ 4.41Å
503	V	93.6	Very high	77.3	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	143.8	-173.5	-60.3	0	0	0	0	111.9	L424 F484 E485 T501 K515 F517	L424-V503 HydrophobicContact CB-CG1 4.29Å; L424-V503 HydrophobicContact CD1-CG1 4.39Å; F484-V503 HydrophobicContact CB-CB 4.29Å; F484-V503 HydrophobicContact CD1-CB 4.32Å; F484-V503 HydrophobicContact CD1-CG2 4.04Å; E485-V503 WeakPolarHBondContact O-CA 3.25Å; T501-V503 HydrophobicContact CG2-CG1 3.91Å; V503-K515 HydrophobicContact CG2-CB 4.02Å; V503-K515 WeakPolarHBondContact CG2-O 3.47Å; V503-K515 PolarHBondContact N-O 3.48Å; V503-K515 PolarHBondContact O-N 2.91Å; V503-F517 HydrophobicContact CG1-CD2 4.14Å; V503-F517 HydrophobicContact CG1-CE2 4.49Å; V503-F517 HydrophobicContact CG2-CD2 3.62Å; V503-F517 HydrophobicContact CG2-CE2 3.46Å; V503-F517 VanDerWaalsContact CG2-CE2 3.46Å; V503-F517 HydrophobicContact CG2-CG 4.43Å; V503-F517 HydrophobicContact CG2-CZ 4.15Å
504	I	90.4	Very high	77.7	Confident	41 Å²	41	65.8 Å²	65.8	21%	0.21	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.3	175.4	-51.7	-170.9	0	0	0	108.4	F484 E485 K487 Y502 Q506 E514	F484-I504 CarbonylContact C-O 3.5Å; F484-I504 WeakPolarHBondContact CA-O 3.28Å; E485-I504 PolarHBondContact N-O 3.36Å; E485-I504 PolarHBondContact O-N 3.04Å; K487-I504 HydrophobicContact CD-CD1 4.22Å; K487-I504 HydrophobicContact CG-CD1 3.89Å; K487-I504 HydrophobicContact CG-CG1 3.98Å; Y502-I504 HydrophobicContact CE1-CD1 4.19Å; Y502-I504 HydrophobicContact CE1-CG1 4.05Å; I504-Q506 PolarHBondContact O-N 3.43Å; I504-E514 HydrophobicContact CG1-CG 4.24Å; I504-E514 HydrophobicContact CG2-CG 4.49Å
505	P	87.7	Confident	78.8	Confident	23 Å²	23	64.5 Å²	64.5	15%	0.149	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	132.6	174.7	-21.8	33.6	0	0	0	111.5	F484 S507 S512	F484-P505 HydrophobicContact CD1-CB 4.33Å; F484-P505 HydrophobicContact CD1-CG 4.14Å; F484-P505 HydrophobicContact CE1-CB 4.32Å; F484-P505 HydrophobicContact CE1-CG 3.98Å; P505-S507 VanDerWaalsContact C-N 3.34Å; P505-S512 WeakPolarHBondContact CB-OG 3.47Å; P505-S512 WeakPolarHBondContact CG-OG 3.47Å
506	Q	81.8	Confident	79.8	Confident	125 Å²	125	59.5 Å²	59.5	58%	0.584	33%	0.327	S	S	*	.	S	Bend	trans	-74.8	-24.2	180	-73.1	-161.1	-4.4	0	0	113.5	K482 M483 E485 I504 Q508	K482-Q506 VanDerWaalsContact O-CD 3.3Å; K482-Q506 PolarHBondContact O-OE1 3.13Å; K482-Q506 VanDerWaalsContact O-OE1 3.11Å; M483-Q506 PolarHBondContact O-N 3.01Å; E485-Q506 HydrophobicContact CB-CG 4.33Å; I504-Q506 PolarHBondContact O-N 3.43Å; Q506-Q508 PolarHBondContact O-N 2.82Å
507	S	70.1	Confident	80.4	Confident	66 Å²	66	59.3 Å²	59.3	46%	0.462	33%	0.326	S	S	.	.			trans	-78.2	111.3	177.5	179.3	0	0	0	0	110.6	P505 I509	P505-S507 VanDerWaalsContact C-N 3.34Å; S507-I509 PolarHBondContact O-N 2.73Å; S507-I509 WeakPolarHBondContact OG-CD1 3.37Å; S507-I509 WeakPolarHBondContact OG-CG1 3.35Å
508	Q	55.3	Low	80.8	Confident	193 Å²	193	54.2 Å²	54.2	90%	0.902	30%	0.304	S	S	*	.			trans	-73.1	30.1	175.6	-71.4	-164.7	-13.8	0	0	113.8	Q506 S510	Q506-Q508 PolarHBondContact O-N 2.82Å; Q508-S510 PolarHBondContact O-N 3.41Å; Q508-S510 VanDerWaalsContact O-N 3.07Å
509	I	54.4	Low	81	Confident	131 Å²	131	54.9 Å²	54.9	67%	0.672	31%	0.307	S	S	*	.			trans	-65.6	116.2	169.3	-64	166.8	0	0	0	106.8	S507 G511 S512	S507-I509 PolarHBondContact O-N 2.73Å; S507-I509 WeakPolarHBondContact OG-CD1 3.37Å; S507-I509 WeakPolarHBondContact OG-CG1 3.35Å; I509-G511 PolarHBondContact O-N 3.09Å; I509-G511 VanDerWaalsContact O-N 3.13Å; I509-S512 PolarHBondContact O-N 3.46Å
510	S	37.7	Very low	81	Confident	126 Å²	126	54.3 Å²	54.3	88%	0.881	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	118.2	-175.9	-78.2	0	0	0	0	111.1	Q508	Q508-S510 PolarHBondContact O-N 3.41Å; Q508-S510 VanDerWaalsContact O-N 3.07Å
511	G	52.8	Low	80.8	Confident	72 Å²	72	55.9 Å²	55.9	74%	0.742	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	117.2	-9.6	-177.6	0	0	0	0	0	115.2	I509 K513	I509-G511 PolarHBondContact O-N 3.09Å; I509-G511 VanDerWaalsContact O-N 3.13Å; G511-K513 PolarHBondContact O-N 2.87Å
512	S	55.7	Low	80.6	Confident	67 Å²	67	56.8 Å²	56.8	47%	0.469	32%	0.324	S	S	.	.			trans	-71.9	98.6	177.4	-151.7	0	0	0	0	111.3	P505 I509	P505-S512 WeakPolarHBondContact CB-OG 3.47Å; P505-S512 WeakPolarHBondContact CG-OG 3.47Å; I509-S512 PolarHBondContact O-N 3.46Å
513	K	74.8	Confident	80.2	Confident	130 Å²	130	62.6 Å²	62.6	57%	0.565	35%	0.352	S	S	*	.			trans	-81.6	145.7	-177.6	-68.6	-175.9	175.1	-178.8	0	111.5	G511 E573	G511-K513 PolarHBondContact O-N 2.87Å; K513-E573 IonicContact NZ-OE1 3.21Å; K513-E573 PolarHBondContact NZ-OE1 2.79Å
514	E	89.6	Confident	80	Confident	85 Å²	85	64 Å²	64	40%	0.397	36%	0.361	S	S	.	.			trans	-56.9	145.8	170.2	-56.3	172.4	125.8	0	0	110	Y502 I504 P574	Y502-E514 HydrophobicContact CE2-CB 4.18Å; Y502-E514 WeakPolarHBondContact OH-CB 3.33Å; Y502-E514 PolarHBondContact OH-OE1 3.46Å; Y502-E514 PolarHBondContact OH-OE2 3Å; I504-E514 HydrophobicContact CG1-CG 4.24Å; I504-E514 HydrophobicContact CG2-CG 4.49Å; E514-P574 HydrophobicContact CB-CG 4.09Å; E514-P574 WeakPolarHBondContact O-CD 3.05Å
515	K	92.7	Very high	80.1	Confident	48 Å²	48	62 Å²	62	21%	0.209	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	150.9	-178.1	-70.9	-169.4	174.1	-172.5	0	111.7	E417 V503 F517	E417-K515 IonicContact OE1-NZ 3.81Å; E417-K515 PolarHBondContact OE1-NZ 2.99Å; V503-K515 HydrophobicContact CG2-CB 4.02Å; V503-K515 WeakPolarHBondContact CG2-O 3.47Å; V503-K515 PolarHBondContact N-O 3.48Å; V503-K515 PolarHBondContact O-N 2.91Å; K515-F517 HydrophobicContact CB-CE1 4.28Å; K515-F517 HydrophobicContact CB-CZ 4.48Å; K515-F517 HydrophobicContact CD-CE1 3.84Å; K515-F517 HydrophobicContact CD-CZ 4.08Å
516	L	95	Very high	80.4	Confident	0 Å²	0	61 Å²	61	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	118.6	163.6	-163.9	74.3	0	0	0	108.4	T501 Y502 V518 T570 R571 P574 F578 Y589 E590	T501-L516 WeakPolarHBondContact O-CA 3.27Å; Y502-L516 HydrophobicContact CD2-CD1 4.25Å; L516-V518 HydrophobicContact CD2-CG2 4.21Å; L516-V518 HydrophobicContact CG-CG2 4.28Å; L516-T570 CarbonylContact O-C 3.51Å; L516-T570 VanDerWaalsContact O-CA 3.23Å; L516-T570 WeakPolarHBondContact O-CA 3.35Å; L516-T570 PolarHBondContact O-OG1 3.1Å; L516-R571 HydrophobicContact CB-CB 3.74Å; L516-R571 HydrophobicContact CD2-CB 4.43Å; L516-R571 PolarHBondContact N-O 3.47Å; L516-R571 VanDerWaalsContact N-O 3.17Å; L516-R571 PolarHBondContact O-N 3.43Å; L516-P574 HydrophobicContact CB-CB 4.38Å; L516-F578 HydrophobicContact CD1-CE1 4.45Å; L516-Y589 WeakPolarHBondContact CD2-O 3.32Å; L516-E590 HydrophobicContact CD2-CG 4.07Å
517	F	96.8	Very high	80.8	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	133.6	172	-68.1	-39.8	0	0	0	109.8	Q420 I421 L424 C425 F484 S500 T501 V503 K515	Q420-F517 HydrophobicContact CB-CE2 4.26Å; Q420-F517 HydrophobicContact CB-CZ 4.17Å; I421-F517 HydrophobicContact CB-CB 4.49Å; I421-F517 HydrophobicContact CD1-CD1 4.38Å; I421-F517 HydrophobicContact CG1-CB 4.1Å; I421-F517 HydrophobicContact CG1-CD1 3.52Å; I421-F517 HydrophobicContact CG1-CE1 4.08Å; I421-F517 HydrophobicContact CG1-CG 3.89Å; I421-F517 HydrophobicContact CG2-CB 4.31Å; L424-F517 HydrophobicContact CB-CD2 3.98Å; L424-F517 HydrophobicContact CB-CE2 4.44Å; L424-F517 HydrophobicContact CD1-CD2 3.91Å; L424-F517 HydrophobicContact CD1-CE2 3.5Å; C425-F517 HydrophobicContact CB-CB 4.13Å; F484-F517 HydrophobicContact CE1-CE2 4.48Å; F484-F517 HydrophobicContact CE1-CZ 4.38Å; F484-F517 HydrophobicContact CZ-CZ 4.5Å; S500-F517 CarbonylContact C-O 3.52Å; S500-F517 WeakPolarHBondContact CA-O 3.3Å; S500-F517 WeakPolarHBondContact CB-O 3.39Å; T501-F517 PolarHBondContact N-O 3.15Å; T501-F517 PolarHBondContact O-N 3.27Å; V503-F517 HydrophobicContact CG1-CD2 4.14Å; V503-F517 HydrophobicContact CG1-CE2 4.49Å; V503-F517 HydrophobicContact CG2-CD2 3.62Å; V503-F517 HydrophobicContact CG2-CE2 3.46Å; V503-F517 VanDerWaalsContact CG2-CE2 3.46Å; V503-F517 HydrophobicContact CG2-CG 4.43Å; V503-F517 HydrophobicContact CG2-CZ 4.15Å; K515-F517 HydrophobicContact CB-CE1 4.28Å; K515-F517 HydrophobicContact CB-CZ 4.48Å; K515-F517 HydrophobicContact CD-CE1 3.84Å; K515-F517 HydrophobicContact CD-CZ 4.08Å
518	V	97.2	Very high	81.9	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	134.4	-171.2	-167.3	0	0	0	0	109.7	M499 L516 I525 A569 E590 L593	M499-V518 WeakPolarHBondContact O-CA 3.4Å; L516-V518 HydrophobicContact CD2-CG2 4.21Å; L516-V518 HydrophobicContact CG-CG2 4.28Å; V518-I525 HydrophobicContact CB-CD1 4.38Å; V518-I525 HydrophobicContact CG1-CD1 3.45Å; V518-I525 VanDerWaalsContact CG1-CD1 3.45Å; V518-A569 PolarHBondContact N-O 3.37Å; V518-A569 PolarHBondContact O-N 3.07Å; V518-A569 VanDerWaalsContact O-O 3.07Å; V518-E590 HydrophobicContact CG1-CG 4.43Å; V518-E590 HydrophobicContact CG2-CG 4.49Å; V518-L593 HydrophobicContact CB-CD1 4.45Å; V518-L593 HydrophobicContact CG1-CD1 4.26Å; V518-L593 HydrophobicContact CG2-CD1 4.33Å; V518-L593 HydrophobicContact CG2-CD2 3.84Å
519	K	96.9	Very high	83.9	Confident	13 Å²	13	49.7 Å²	49.7	6%	0.057	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145.5	168.7	72.3	-177.8	178.3	-168.8	0	110.5	C425 E447 L450 S498 M499 L566 A567 L568	C425-K519 VanDerWaalsContact O-CD 3.22Å; C425-K519 WeakPolarHBondContact O-CD 3.4Å; C425-K519 WeakPolarHBondContact O-CE 3.3Å; C425-K519 PolarHBondContact O-NZ 2.87Å; E447-K519 VanDerWaalsContact CD-NZ 3.25Å; E447-K519 WeakPolarHBondContact OE1-CE 3.26Å; E447-K519 IonicContact OE1-NZ 2.69Å; E447-K519 PolarHBondContact OE1-NZ 3.23Å; L450-K519 HydrophobicContact CD1-CD 4.09Å; S498-K519 CarbonylContact C-O 3.59Å; S498-K519 WeakPolarHBondContact CA-O 3.36Å; S498-K519 VanDerWaalsContact CB-O 3.28Å; S498-K519 WeakPolarHBondContact CB-O 3.41Å; M499-K519 HydrophobicContact CB-CG 4.32Å; M499-K519 PolarHBondContact N-O 2.72Å; M499-K519 PolarHBondContact O-N 2.87Å; M499-K519 WeakPolarHBondContact SD-CE 3.41Å; K519-L566 HydrophobicContact CB-CD2 4.19Å; K519-L566 HydrophobicContact CG-CD2 4.45Å; K519-A567 WeakPolarHBondContact CA-O 3.5Å; K519-L568 HydrophobicContact CB-CD2 3.61Å
520	G	93.6	Very high	85.8	Confident	5 Å²	5	46 Å²	46	5%	0.052	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.5	-171.3	177.2	0	0	0	0	0	115.7	K497 A567	K497-G520 CarbonylContact O-C 3.56Å; K497-G520 VanDerWaalsContact O-CA 3.26Å; K497-G520 WeakPolarHBondContact O-CA 3.45Å; G520-A567 PolarHBondContact N-O 2.89Å; G520-A567 VanDerWaalsContact N-O 3.09Å; G520-A567 PolarHBondContact O-N 2.95Å
521	A	90.1	Very high	88.5	Confident	33 Å²	33	43.9 Å²	43.9	27%	0.273	25%	0.245	S	C	.	.			trans	-57.9	130.5	174.2	0	0	0	0	0	109.8	K497 E523 S524 I525	K497-A521 HydrophobicContact CB-CB 3.74Å; K497-A521 HydrophobicContact CD-CB 4.12Å; K497-A521 PolarHBondContact O-N 3.42Å; A521-E523 PolarHBondContact O-N 3.36Å; A521-S524 PolarHBondContact O-N 3.33Å; A521-I525 WeakPolarHBondContact O-CG1 3.23Å; A521-I525 PolarHBondContact O-N 2.86Å
522	P	91.1	Very high	90.4	Very high	18 Å²	18	40.4 Å²	40.4	12%	0.117	21%	0.21	C	C	.	.	H	α-helix	trans	-54.6	-48.4	-172.4	-30.3	35.4	0	0	0	115.1	S524 I525 L526 I553 C565 A567	P522-S524 PolarHBondContact O-N 2.85Å; P522-I525 PolarHBondContact O-N 3.42Å; P522-L526 HydrophobicContact CB-CD1 4.44Å; P522-L526 VanDerWaalsContact O-CB 3.26Å; P522-L526 WeakPolarHBondContact O-CB 3.44Å; P522-L526 WeakPolarHBondContact O-CD1 3.45Å; P522-L526 WeakPolarHBondContact O-CG 3.42Å; P522-L526 PolarHBondContact O-N 2.97Å; P522-I553 HydrophobicContact CB-CD1 3.62Å; P522-I553 HydrophobicContact CB-CG2 4.16Å; P522-I553 HydrophobicContact CG-CD1 4.3Å; P522-I553 HydrophobicContact CG-CG2 4.12Å; P522-C565 WeakPolarHBondContact CD-O 3.47Å; P522-C565 HydrophobicContact CG-CB 3.97Å; P522-A567 HydrophobicContact CB-CB 4.17Å; P522-A567 HydrophobicContact CG-CB 4.37Å
523	E	87.8	Confident	92.2	Very high	139 Å²	139	38.9 Å²	38.9	65%	0.65	19%	0.194	S	C	*	.	H	α-helix	trans	-58.1	-47.6	-179.6	-59.4	-179.4	-177.8	0	0	111.4	A521 I525 L526 D527 L550	A521-E523 PolarHBondContact O-N 3.36Å; E523-I525 PolarHBondContact O-N 3.28Å; E523-L526 PolarHBondContact O-N 3.28Å; E523-D527 VanDerWaalsContact O-CG 3.29Å; E523-D527 PolarHBondContact O-N 2.82Å; E523-L550 HydrophobicContact CG-CD2 4.1Å
524	S	88.6	Confident	92.9	Very high	28 Å²	28	33.4 Å²	33.4	20%	0.196	17%	0.171	C	C	.	.	H	α-helix	trans	-69.3	-30.7	-178.7	-53.9	0	0	0	0	113.6	R496 A521 P522 R528	R496-S524 WeakPolarHBondContact O-CB 3.28Å; A521-S524 PolarHBondContact O-N 3.33Å; P522-S524 PolarHBondContact O-N 2.85Å; S524-R528 PolarHBondContact O-NE 3.32Å; S524-R528 PolarHBondContact O-NH2 3.4Å
525	I	93.4	Very high	92.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-74.4	-48.4	174	-66.1	-82.1	0	0	0	109.6	V518 A521 P522 E523 D527 R528 C529 A567 A569 L595	V518-I525 HydrophobicContact CB-CD1 4.38Å; V518-I525 HydrophobicContact CG1-CD1 3.45Å; V518-I525 VanDerWaalsContact CG1-CD1 3.45Å; A521-I525 WeakPolarHBondContact O-CG1 3.23Å; A521-I525 PolarHBondContact O-N 2.86Å; P522-I525 PolarHBondContact O-N 3.42Å; E523-I525 PolarHBondContact O-N 3.28Å; I525-D527 PolarHBondContact O-N 3.09Å; I525-R528 CarbonylContact O-C 3.51Å; I525-R528 WeakPolarHBondContact O-CA 3.31Å; I525-R528 PolarHBondContact O-N 2.68Å; I525-C529 PolarHBondContact O-N 3.1Å; I525-C529 VanDerWaalsContact O-N 3.08Å; I525-C529 PolarHBondContact O-SG 3.2Å; I525-A567 HydrophobicContact CB-CB 3.92Å; I525-A567 HydrophobicContact CG1-CB 4.19Å; I525-A567 HydrophobicContact CG2-CB 3.93Å; I525-A569 HydrophobicContact CG2-CB 3.74Å; I525-L595 HydrophobicContact CG2-CD1 4.26Å
526	L	92.4	Very high	91.5	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-33.1	-179.8	-84.9	155.5	0	0	0	112.7	P522 E523 R528 C529 L541 K546 V549 L550 I553 L595	P522-L526 HydrophobicContact CB-CD1 4.44Å; P522-L526 VanDerWaalsContact O-CB 3.26Å; P522-L526 WeakPolarHBondContact O-CB 3.44Å; P522-L526 WeakPolarHBondContact O-CD1 3.45Å; P522-L526 WeakPolarHBondContact O-CG 3.42Å; P522-L526 PolarHBondContact O-N 2.97Å; E523-L526 PolarHBondContact O-N 3.28Å; L526-R528 PolarHBondContact O-N 3.35Å; L526-C529 PolarHBondContact O-N 3.35Å; L526-L541 HydrophobicContact CD2-CD2 4.09Å; L526-K546 HydrophobicContact CD2-CG 4.16Å; L526-K546 WeakPolarHBondContact O-CE 3.44Å; L526-V549 HydrophobicContact CD1-CG1 4.1Å; L526-V549 HydrophobicContact CD2-CB 4.27Å; L526-V549 HydrophobicContact CD2-CG1 4.01Å; L526-L550 HydrophobicContact CD1-CD2 3.64Å; L526-L550 HydrophobicContact CD1-CG 4.02Å; L526-I553 HydrophobicContact CD1-CD1 3.91Å; L526-L595 HydrophobicContact CD2-CD2 3.72Å; L526-L595 HydrophobicContact CG-CD2 4.44Å
527	D	90.8	Very high	91.1	Very high	113 Å²	113	34.6 Å²	34.6	60%	0.604	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.7	173.1	-75.6	-15.1	0	0	0	113.8	E523 I525 K546	E523-D527 VanDerWaalsContact O-CG 3.29Å; E523-D527 PolarHBondContact O-N 2.82Å; I525-D527 PolarHBondContact O-N 3.09Å; D527-K546 WeakPolarHBondContact OD1-CE 3.42Å; D527-K546 IonicContact OD1-NZ 3.46Å; D527-K546 PolarHBondContact OD1-NZ 3.27Å
528	R	94.1	Very high	90.6	Very high	23 Å²	23	38.9 Å²	38.9	9%	0.087	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	0.5	-179.4	-66.2	176.3	-68.9	162.3	-2.9	113.1	R496 S498 S524 I525 L526 E590 E592 L593	R496-R528 PolarHBondContact O-NH2 3.24Å; S498-R528 PolarHBondContact OG-NH1 3.3Å; S498-R528 PolarHBondContact OG-NH2 3.42Å; S524-R528 PolarHBondContact O-NE 3.32Å; S524-R528 PolarHBondContact O-NH2 3.4Å; I525-R528 CarbonylContact O-C 3.51Å; I525-R528 WeakPolarHBondContact O-CA 3.31Å; I525-R528 PolarHBondContact O-N 2.68Å; L526-R528 PolarHBondContact O-N 3.35Å; R528-E590 WeakPolarHBondContact CB-O 3.33Å; R528-E590 WeakPolarHBondContact CD-O 3.12Å; R528-E590 IonicContact CZ-OE2 3.5Å; R528-E590 IonicContact NH1-OE2 3.37Å; R528-E590 PolarHBondContact NH1-OE2 3.11Å; R528-E590 IonicContact NH2-OE2 2.67Å; R528-E592 PolarHBondContact O-N 2.82Å; R528-L593 HydrophobicContact CB-CD1 4.05Å; R528-L593 HydrophobicContact CB-CG 4.41Å; R528-L593 PolarHBondContact O-N 2.92Å
529	C	95.3	Very high	90.2	Very high	12 Å²	12	40.4 Å²	40.4	8%	0.081	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	125.4	174.6	-70.6	0	0	0	0	110.8	I525 L526 L541 L593 L595	I525-C529 PolarHBondContact O-N 3.1Å; I525-C529 VanDerWaalsContact O-N 3.08Å; I525-C529 PolarHBondContact O-SG 3.2Å; L526-C529 PolarHBondContact O-N 3.35Å; C529-L541 HydrophobicContact CB-CD2 3.84Å; C529-L593 CarbonylContact C-O 3.53Å; C529-L593 VanDerWaalsContact CA-O 3.22Å; C529-L593 WeakPolarHBondContact CA-O 3Å; C529-L593 HydrophobicContact CB-CB 4.48Å; C529-L595 HydrophobicContact CB-CB 4.38Å
530	T	94.3	Very high	89.9	Confident	54 Å²	54	44.5 Å²	44.5	33%	0.331	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-17.6	170.4	-28.3	0	0	0	0	111.2	L540 L541 E592 L593	T530-L540 HydrophobicContact CG2-CD1 4.35Å; T530-L541 PolarHBondContact O-N 3.28Å; T530-E592 WeakPolarHBondContact OG1-CA 3.19Å; T530-L593 PolarHBondContact N-O 3.23Å
531	Y	94.6	Very high	89.7	Confident	80 Å²	80	45.1 Å²	45.1	31%	0.314	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	163.5	-173.6	-53.5	-88.8	0	0	0	112.1	K538 L539 L540 L593 T594 L595	Y531-K538 HydrophobicContact CD1-CD 4.05Å; Y531-K538 HydrophobicContact CD1-CG 3.75Å; Y531-K538 HydrophobicContact CD2-CD 4.32Å; Y531-K538 HydrophobicContact CG-CD 3.94Å; Y531-K538 HydrophobicContact CG-CG 3.81Å; Y531-L539 CarbonylContact C-O 3.49Å; Y531-L539 WeakPolarHBondContact CA-O 3.47Å; Y531-L539 WeakPolarHBondContact CB-O 3.45Å; Y531-L540 HydrophobicContact CD1-CD1 4.02Å; Y531-L540 HydrophobicContact CE1-CD1 3.75Å; Y531-L593 PolarHBondContact N-O 3.04Å; Y531-T594 CarbonylContact O-C 3.5Å; Y531-T594 WeakPolarHBondContact O-CA 3.36Å; Y531-L595 PolarHBondContact O-N 3.39Å
532	V	93.5	Very high	89.7	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	140.1	171.2	74.6	0	0	0	0	109.5	F370 L382 T534 L539 L541 L595	F370-V532 HydrophobicContact CB-CG2 4.3Å; F370-V532 HydrophobicContact CD1-CG2 3.86Å; F370-V532 HydrophobicContact CD2-CG2 3.21Å; F370-V532 HydrophobicContact CE1-CG2 3.93Å; F370-V532 HydrophobicContact CE2-CG2 3.31Å; F370-V532 HydrophobicContact CG-CG2 3.49Å; F370-V532 VanDerWaalsContact CG-CG2 3.49Å; F370-V532 HydrophobicContact CZ-CG2 3.67Å; L382-V532 HydrophobicContact CD2-CG1 4.08Å; V532-T534 HydrophobicContact CG1-CG2 4.31Å; V532-L539 HydrophobicContact CG1-CB 3.83Å; V532-L539 HydrophobicContact CG1-CD2 4.12Å; V532-L539 HydrophobicContact CG1-CG 4.35Å; V532-L539 PolarHBondContact N-O 3.23Å; V532-L539 PolarHBondContact O-N 2.78Å; V532-L541 HydrophobicContact CB-CD1 4.33Å; V532-L595 CarbonylContact C-O 3.54Å; V532-L595 WeakPolarHBondContact CA-O 3.23Å; V532-L595 HydrophobicContact CG2-CB 4.21Å; V532-L595 HydrophobicContact CG2-CD2 4.4Å
533	R	93.5	Very high	89.6	Confident	35 Å²	35	50.8 Å²	50.8	13%	0.132	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	124.4	176.4	-170.2	77.2	76.8	-152.1	-2.3	109.1	F370 E417 T570 D572 T594 L595 V596	F370-R533 WeakPolarHBondContact CB-O 3.46Å; F370-R533 WeakPolarHBondContact CD2-O 3.36Å; E417-R533 IonicContact OE1-CZ 2.6Å; E417-R533 IonicContact OE1-NE 3.5Å; E417-R533 IonicContact OE1-NH2 3.8Å; E417-R533 PolarHBondContact OE1-NH2 3.23Å; E417-R533 IonicContact OE2-CZ 2.73Å; E417-R533 IonicContact OE2-NE 3.73Å; E417-R533 PolarHBondContact OE2-NE 3.48Å; E417-R533 IonicContact OE2-NH2 3.16Å; E417-R533 PolarHBondContact OE2-NH2 3.01Å; R533-T570 VanDerWaalsContact NH2-CG2 3.33Å; R533-D572 IonicContact CZ-OD1 2.84Å; R533-D572 IonicContact NH1-OD1 3.69Å; R533-D572 PolarHBondContact NH1-OD1 3.44Å; R533-D572 IonicContact NH1-OD2 3.95Å; R533-D572 IonicContact NH2-OD1 3.48Å; R533-D572 PolarHBondContact NH2-OD1 3Å; R533-D572 IonicContact NH2-OD2 2.79Å; R533-T594 HydrophobicContact CB-CG2 3.96Å; R533-L595 PolarHBondContact N-O 3.03Å; R533-V596 HydrophobicContact CB-CG2 4.33Å
534	T	89.4	Confident	89.5	Confident	15 Å²	15	51.8 Å²	51.8	9%	0.092	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	167.6	172.5	64.1	0	0	0	0	109.6	F370 G371 V532 G536 G537 L539	F370-T534 HydrophobicContact CB-CG2 4.12Å; G371-T534 WeakPolarHBondContact O-CG2 3.02Å; V532-T534 HydrophobicContact CG1-CG2 4.31Å; T534-G536 PolarHBondContact O-N 3.12Å; T534-G537 PolarHBondContact N-O 3.46Å; T534-G537 PolarHBondContact O-N 2.98Å; T534-G537 VanDerWaalsContact O-O 3.13Å; T534-G537 PolarHBondContact OG1-N 3.49Å; T534-G537 PolarHBondContact OG1-O 3.06Å; T534-L539 HydrophobicContact CG2-CB 4.28Å
535	A	78.3	Confident	89.5	Confident	62 Å²	62	50.6 Å²	50.6	51%	0.512	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.1	174.2	0	0	0	0	0	112.9
536	G	75.5	Confident	89.3	Confident	66 Å²	66	53 Å²	53	68%	0.68	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-2.6	176.4	0	0	0	0	0	115.7	N372 T534	N372-G536 PolarHBondContact OD1-N 2.9Å; T534-G536 PolarHBondContact O-N 3.12Å
537	G	84.9	Confident	89.2	Confident	30 Å²	30	54.2 Å²	54.2	31%	0.309	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	127	-138	179.7	0	0	0	0	0	113.6	T534	T534-G537 PolarHBondContact N-O 3.46Å; T534-G537 PolarHBondContact O-N 2.98Å; T534-G537 VanDerWaalsContact O-O 3.13Å; T534-G537 PolarHBondContact OG1-N 3.49Å; T534-G537 PolarHBondContact OG1-O 3.06Å
538	K	87.1	Confident	89.2	Confident	89 Å²	89	50.8 Å²	50.8	39%	0.387	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119.1	-173.3	-173.3	171.6	176.6	165.1	0	109.9	Y531 D572 T594	Y531-K538 HydrophobicContact CD1-CD 4.05Å; Y531-K538 HydrophobicContact CD1-CG 3.75Å; Y531-K538 HydrophobicContact CD2-CD 4.32Å; Y531-K538 HydrophobicContact CG-CD 3.94Å; Y531-K538 HydrophobicContact CG-CG 3.81Å; K538-D572 IonicContact NZ-OD2 3.94Å; K538-D572 PolarHBondContact NZ-OD2 2.91Å; K538-T594 WeakPolarHBondContact CE-OG1 3.4Å; K538-T594 HydrophobicContact CG-CG2 4.31Å; K538-T594 PolarHBondContact NZ-OG1 3.43Å
539	L	89.7	Confident	89	Confident	32 Å²	32	49.7 Å²	49.7	17%	0.168	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	142.6	178.1	-178.8	71.9	0	0	0	109.9	E373 L380 L382 Y531 V532 T534 L541 L545	E373-L539 VanDerWaalsContact OE2-CD1 3.26Å; E373-L539 WeakPolarHBondContact OE2-CD1 3.33Å; L380-L539 HydrophobicContact CD2-CD1 4.3Å; L380-L539 HydrophobicContact CD2-CD2 4.01Å; L382-L539 HydrophobicContact CD2-CD2 4.38Å; Y531-L539 CarbonylContact C-O 3.49Å; Y531-L539 WeakPolarHBondContact CA-O 3.47Å; Y531-L539 WeakPolarHBondContact CB-O 3.45Å; V532-L539 HydrophobicContact CG1-CB 3.83Å; V532-L539 HydrophobicContact CG1-CD2 4.12Å; V532-L539 HydrophobicContact CG1-CG 4.35Å; V532-L539 PolarHBondContact N-O 3.23Å; V532-L539 PolarHBondContact O-N 2.78Å; T534-L539 HydrophobicContact CG2-CB 4.28Å; L539-L541 PolarHBondContact O-N 3.29Å; L539-L545 HydrophobicContact CD2-CD1 4.05Å
540	L	90.6	Very high	88.8	Confident	99 Å²	99	52.1 Å²	52.1	52%	0.518	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	128.4	176.6	-168.9	75.5	0	0	0	110.3	T530 Y531 T542	T530-L540 HydrophobicContact CG2-CD1 4.35Å; Y531-L540 HydrophobicContact CD1-CD1 4.02Å; Y531-L540 HydrophobicContact CE1-CD1 3.75Å; L540-T542 PolarHBondContact O-N 3.17Å
541	L	89.6	Confident	88.5	Confident	19 Å²	19	57.7 Å²	57.7	10%	0.099	32%	0.323	C	S	.	.			trans	-85.7	94.8	-179.6	-173	70.5	0	0	0	110.1	L526 C529 T530 V532 L539 L545 K546	L526-L541 HydrophobicContact CD2-CD2 4.09Å; C529-L541 HydrophobicContact CB-CD2 3.84Å; T530-L541 PolarHBondContact O-N 3.28Å; V532-L541 HydrophobicContact CB-CD1 4.33Å; L539-L541 PolarHBondContact O-N 3.29Å; L541-L545 HydrophobicContact CD1-CB 4.03Å; L541-K546 HydrophobicContact CD1-CB 4.47Å; L541-K546 HydrophobicContact CD2-CB 4.35Å; L541-K546 HydrophobicContact CD2-CG 4.46Å; L541-K546 HydrophobicContact CG-CB 4.22Å
542	T	89.1	Confident	88.3	Confident	60 Å²	60	55.9 Å²	55.9	37%	0.368	32%	0.316	S	S	.	.			trans	-73.1	162.6	174.5	67.7	0	0	0	0	111.5	L540 E544 L545 K546	L540-T542 PolarHBondContact O-N 3.17Å; T542-E544 PolarHBondContact O-N 3.41Å; T542-L545 PolarHBondContact O-N 3.5Å; T542-L545 WeakPolarHBondContact OG1-CG 3.31Å; T542-L545 PolarHBondContact OG1-N 3.3Å; T542-K546 WeakPolarHBondContact O-CB 3.19Å; T542-K546 PolarHBondContact O-N 3.45Å
543	S	88.1	Confident	88.1	Confident	110 Å²	110	56.5 Å²	56.5	77%	0.769	32%	0.32	S	S	*	.	H	α-helix	trans	-58.9	-34.1	177.8	-57.6	0	0	0	0	113.3	G547	S543-G547 PolarHBondContact O-N 2.93Å
544	E	86.6	Confident	87.8	Confident	160 Å²	160	57 Å²	57	75%	0.748	33%	0.331	S	S	*	.	H	α-helix	trans	-66.7	-50.2	175.6	-76.5	170.6	151.1	0	0	111.6	T542 K546 G547 E548	T542-E544 PolarHBondContact O-N 3.41Å; E544-K546 VanDerWaalsContact C-N 3.31Å; E544-K546 PolarHBondContact O-N 3.48Å; E544-G547 WeakPolarHBondContact O-CA 3.38Å; E544-G547 PolarHBondContact O-N 2.98Å; E544-E548 PolarHBondContact O-N 3.11Å
545	L	87.8	Confident	87.7	Confident	3 Å²	3	59.7 Å²	59.7	2%	0.016	35%	0.348	C	S	.	.	H	α-helix	trans	-60.3	-41.9	176.8	-69.1	-176.1	0	0	0	111.5	L380 L382 L539 L541 T542 G547 E548 V549	L380-L545 HydrophobicContact CD2-CD1 4.05Å; L380-L545 WeakPolarHBondContact O-CD2 3.07Å; L382-L545 HydrophobicContact CB-CD2 4.27Å; L382-L545 HydrophobicContact CD1-CB 3.73Å; L382-L545 HydrophobicContact CD1-CD1 4.09Å; L382-L545 HydrophobicContact CD1-CD2 3.81Å; L382-L545 HydrophobicContact CD1-CG 4.07Å; L382-L545 HydrophobicContact CG-CD1 4.33Å; L382-L545 HydrophobicContact CG-CD2 3.81Å; L382-L545 HydrophobicContact CG-CG 4.47Å; L539-L545 HydrophobicContact CD2-CD1 4.05Å; L541-L545 HydrophobicContact CD1-CB 4.03Å; T542-L545 PolarHBondContact O-N 3.5Å; T542-L545 WeakPolarHBondContact OG1-CG 3.31Å; T542-L545 PolarHBondContact OG1-N 3.3Å; L545-G547 VanDerWaalsContact C-N 3.28Å; L545-G547 PolarHBondContact O-N 3.15Å; L545-E548 WeakPolarHBondContact O-CB 3.37Å; L545-E548 PolarHBondContact O-N 3.46Å; L545-E548 VanDerWaalsContact O-N 3.13Å; L545-V549 WeakPolarHBondContact O-CG2 3.29Å; L545-V549 PolarHBondContact O-N 2.84Å
546	K	90.4	Very high	88.1	Confident	49 Å²	49	57.3 Å²	57.3	21%	0.213	33%	0.326	C	S	.	.	H	α-helix	trans	-57.6	-41.8	173.5	-174.1	-179.4	177.5	-178.5	0	111.7	L526 D527 L541 T542 E544 V549 L550	L526-K546 HydrophobicContact CD2-CG 4.16Å; L526-K546 WeakPolarHBondContact O-CE 3.44Å; D527-K546 WeakPolarHBondContact OD1-CE 3.42Å; D527-K546 IonicContact OD1-NZ 3.46Å; D527-K546 PolarHBondContact OD1-NZ 3.27Å; L541-K546 HydrophobicContact CD1-CB 4.47Å; L541-K546 HydrophobicContact CD2-CB 4.35Å; L541-K546 HydrophobicContact CD2-CG 4.46Å; L541-K546 HydrophobicContact CG-CB 4.22Å; T542-K546 WeakPolarHBondContact O-CB 3.19Å; T542-K546 PolarHBondContact O-N 3.45Å; E544-K546 VanDerWaalsContact C-N 3.31Å; E544-K546 PolarHBondContact O-N 3.48Å; K546-V549 PolarHBondContact O-N 3.07Å; K546-L550 PolarHBondContact O-N 3.33Å
547	G	89.6	Confident	88.2	Confident	28 Å²	28	56.2 Å²	56.2	29%	0.289	31%	0.31	S	S	.	.	H	α-helix	trans	-63.3	-37.9	174.7	0	0	0	0	0	113.4	S543 E544 L545 R551	S543-G547 PolarHBondContact O-N 2.93Å; E544-G547 WeakPolarHBondContact O-CA 3.38Å; E544-G547 PolarHBondContact O-N 2.98Å; L545-G547 VanDerWaalsContact C-N 3.28Å; L545-G547 PolarHBondContact O-N 3.15Å; G547-R551 WeakPolarHBondContact O-CB 3.42Å; G547-R551 PolarHBondContact O-N 3.04Å
548	E	90.4	Very high	87.7	Confident	41 Å²	41	60.3 Å²	60.3	19%	0.192	33%	0.329	C	S	.	.	H	α-helix	trans	-64.3	-44.9	173.5	-68.2	-161.6	144.4	0	0	111.8	Q381 L382 F384 E544 L545 R551 K552	Q381-E548 VanDerWaalsContact CG-OE1 3.24Å; Q381-E548 WeakPolarHBondContact CG-OE1 3.45Å; Q381-E548 PolarHBondContact NE2-OE1 3.49Å; Q381-E548 VanDerWaalsContact NE2-OE1 3.14Å; L382-E548 PolarHBondContact N-OE2 3.09Å; F384-E548 HydrophobicContact CZ-CB 4.4Å; E544-E548 PolarHBondContact O-N 3.11Å; L545-E548 WeakPolarHBondContact O-CB 3.37Å; L545-E548 PolarHBondContact O-N 3.46Å; L545-E548 VanDerWaalsContact O-N 3.13Å; E548-R551 WeakPolarHBondContact O-CB 3.36Å; E548-R551 PolarHBondContact O-N 3.24Å; E548-K552 PolarHBondContact O-N 2.98Å
549	V	91.4	Very high	87	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.8	-47.9	177.4	-179.9	0	0	0	0	110.9	F368 F370 L382 F384 L526 L545 K546 R551 K552 I553 L595	F368-V549 HydrophobicContact CE2-CG1 4.48Å; F368-V549 HydrophobicContact CZ-CG1 4.38Å; F370-V549 HydrophobicContact CE1-CG2 3.79Å; F370-V549 HydrophobicContact CZ-CG1 4.49Å; F370-V549 HydrophobicContact CZ-CG2 4.34Å; L382-V549 HydrophobicContact CD1-CG2 4.11Å; F384-V549 HydrophobicContact CE1-CG2 4.16Å; F384-V549 HydrophobicContact CZ-CG2 4.21Å; L526-V549 HydrophobicContact CD1-CG1 4.1Å; L526-V549 HydrophobicContact CD2-CB 4.27Å; L526-V549 HydrophobicContact CD2-CG1 4.01Å; L545-V549 WeakPolarHBondContact O-CG2 3.29Å; L545-V549 PolarHBondContact O-N 2.84Å; K546-V549 PolarHBondContact O-N 3.07Å; V549-R551 VanDerWaalsContact C-N 3.28Å; V549-R551 PolarHBondContact O-N 2.66Å; V549-K552 PolarHBondContact O-N 3.28Å; V549-K552 VanDerWaalsContact O-N 3.13Å; V549-I553 HydrophobicContact CG1-CD1 3.95Å; V549-I553 HydrophobicContact CG1-CG1 4.37Å; V549-I553 VanDerWaalsContact O-CG1 3.3Å; V549-I553 WeakPolarHBondContact O-CG1 3.46Å; V549-I553 PolarHBondContact O-N 3.48Å; V549-L595 HydrophobicContact CG1-CD2 4.08Å
550	L	89.6	Confident	86.1	Confident	62 Å²	62	63.7 Å²	63.7	33%	0.325	35%	0.346	S	S	.	.	H	α-helix	trans	-58.7	-40.1	177	-76.9	171.3	0	0	0	112.2	E523 L526 K546 K552 I553 A554	E523-L550 HydrophobicContact CG-CD2 4.1Å; L526-L550 HydrophobicContact CD1-CD2 3.64Å; L526-L550 HydrophobicContact CD1-CG 4.02Å; K546-L550 PolarHBondContact O-N 3.33Å; L550-K552 VanDerWaalsContact C-N 3.35Å; L550-K552 PolarHBondContact O-N 2.96Å; L550-I553 PolarHBondContact O-N 3.15Å; L550-A554 WeakPolarHBondContact O-CB 3.47Å; L550-A554 PolarHBondContact O-N 2.81Å
551	R	89.6	Confident	85	Confident	172 Å²	172	61.1 Å²	61.1	65%	0.649	33%	0.332	S	S	*	.	H	α-helix	trans	-64.2	-41.1	176.8	-152.5	-178.8	-52.3	162.9	8.3	111.3	G547 E548 V549 A554 T555	G547-R551 WeakPolarHBondContact O-CB 3.42Å; G547-R551 PolarHBondContact O-N 3.04Å; E548-R551 WeakPolarHBondContact O-CB 3.36Å; E548-R551 PolarHBondContact O-N 3.24Å; V549-R551 VanDerWaalsContact C-N 3.28Å; V549-R551 PolarHBondContact O-N 2.66Å; R551-A554 WeakPolarHBondContact O-CB 3.48Å; R551-A554 PolarHBondContact O-N 2.8Å; R551-T555 WeakPolarHBondContact O-CG2 3.41Å; R551-T555 PolarHBondContact O-N 3.27Å; R551-T555 VanDerWaalsContact O-N 3.13Å
552	K	90.5	Very high	84.4	Confident	41 Å²	41	60.8 Å²	60.8	18%	0.178	33%	0.33	C	S	.	.	H	α-helix	trans	-64.1	-43.1	175.2	-172.7	67.1	-168	175.3	0	111.6	F368 F384 E386 E548 V549 L550 A554 T555 Y556	F368-K552 HydrophobicContact CD1-CG 4.28Å; F368-K552 HydrophobicContact CE1-CG 3.98Å; F368-K552 HydrophobicContact CZ-CG 4.21Å; F384-K552 HydrophobicContact CD1-CB 4.45Å; F384-K552 HydrophobicContact CD1-CG 4.04Å; F384-K552 HydrophobicContact CE1-CB 3.99Å; F384-K552 HydrophobicContact CE1-CG 4.08Å; F384-K552 HydrophobicContact CG-CG 4.37Å; F384-K552 HydrophobicContact CZ-CB 4.07Å; F384-K552 HydrophobicContact CZ-CG 4.48Å; E386-K552 WeakPolarHBondContact OE1-CE 3.43Å; E386-K552 IonicContact OE1-NZ 2.77Å; E386-K552 PolarHBondContact OE1-NZ 3.14Å; E386-K552 WeakPolarHBondContact OE2-CE 3.29Å; E386-K552 IonicContact OE2-NZ 3.83Å; E386-K552 PolarHBondContact OE2-NZ 3.15Å; E548-K552 PolarHBondContact O-N 2.98Å; V549-K552 PolarHBondContact O-N 3.28Å; V549-K552 VanDerWaalsContact O-N 3.13Å; L550-K552 VanDerWaalsContact C-N 3.35Å; L550-K552 PolarHBondContact O-N 2.96Å; K552-A554 VanDerWaalsContact C-N 3.31Å; K552-A554 PolarHBondContact O-N 3.36Å; K552-T555 WeakPolarHBondContact O-CB 3.49Å; K552-T555 PolarHBondContact O-N 3.45Å; K552-T555 VanDerWaalsContact O-N 3.08Å; K552-T555 PolarHBondContact O-OG1 3.47Å; K552-Y556 PolarHBondContact O-N 2.96Å
553	I	89.3	Confident	84.3	Confident	13 Å²	13	58.2 Å²	58.2	7%	0.067	32%	0.315	C	S	.	.	H	α-helix	trans	-62.1	-40.6	175.8	-64.6	177.5	0	0	0	111.1	F368 P522 L526 V549 L550 T555 Y556 A557 C565 V598	F368-I553 HydrophobicContact CE1-CG1 4.1Å; F368-I553 HydrophobicContact CZ-CD1 4.46Å; F368-I553 HydrophobicContact CZ-CG1 3.81Å; P522-I553 HydrophobicContact CB-CD1 3.62Å; P522-I553 HydrophobicContact CB-CG2 4.16Å; P522-I553 HydrophobicContact CG-CD1 4.3Å; P522-I553 HydrophobicContact CG-CG2 4.12Å; L526-I553 HydrophobicContact CD1-CD1 3.91Å; V549-I553 HydrophobicContact CG1-CD1 3.95Å; V549-I553 HydrophobicContact CG1-CG1 4.37Å; V549-I553 VanDerWaalsContact O-CG1 3.3Å; V549-I553 WeakPolarHBondContact O-CG1 3.46Å; V549-I553 PolarHBondContact O-N 3.48Å; L550-I553 PolarHBondContact O-N 3.15Å; I553-T555 VanDerWaalsContact C-N 3.27Å; I553-T555 PolarHBondContact O-N 2.85Å; I553-Y556 WeakPolarHBondContact O-CB 3.4Å; I553-Y556 PolarHBondContact O-N 2.83Å; I553-A557 PolarHBondContact O-N 3.19Å; I553-C565 HydrophobicContact CG2-CB 3.86Å; I553-V598 HydrophobicContact CD1-CG1 4.39Å; I553-V598 HydrophobicContact CD1-CG2 3.78Å; I553-V598 HydrophobicContact CG1-CG1 4.28Å; I553-V598 HydrophobicContact CG1-CG2 4.16Å
554	A	85.5	Confident	84.2	Confident	46 Å²	46	59 Å²	59	38%	0.38	30%	0.301	S	S	.	.	H	α-helix	trans	-57.9	-39.6	173.8	0	0	0	0	0	111.5	L550 R551 K552 Y556 A557 T558	L550-A554 WeakPolarHBondContact O-CB 3.47Å; L550-A554 PolarHBondContact O-N 2.81Å; R551-A554 WeakPolarHBondContact O-CB 3.48Å; R551-A554 PolarHBondContact O-N 2.8Å; K552-A554 VanDerWaalsContact C-N 3.31Å; K552-A554 PolarHBondContact O-N 3.36Å; A554-Y556 VanDerWaalsContact C-N 3.28Å; A554-Y556 PolarHBondContact O-N 3.09Å; A554-A557 PolarHBondContact O-N 3.33Å; A554-A557 VanDerWaalsContact O-N 3.16Å; A554-T558 PolarHBondContact O-N 2.85Å; A554-T558 PolarHBondContact O-OG1 3.47Å
555	T	88.1	Confident	84.5	Confident	71 Å²	71	52.3 Å²	52.3	44%	0.436	27%	0.271	S	S	.	.	H	α-helix	trans	-62	-32.6	175.2	67.8	0	0	0	0	113.8	R551 K552 I553 G559	R551-T555 WeakPolarHBondContact O-CG2 3.41Å; R551-T555 PolarHBondContact O-N 3.27Å; R551-T555 VanDerWaalsContact O-N 3.13Å; K552-T555 WeakPolarHBondContact O-CB 3.49Å; K552-T555 PolarHBondContact O-N 3.45Å; K552-T555 VanDerWaalsContact O-N 3.08Å; K552-T555 PolarHBondContact O-OG1 3.47Å; I553-T555 VanDerWaalsContact C-N 3.27Å; I553-T555 PolarHBondContact O-N 2.85Å; T555-G559 WeakPolarHBondContact O-CA 3.36Å; T555-G559 PolarHBondContact O-N 2.99Å
556	Y	87	Confident	84.8	Confident	13 Å²	13	53.1 Å²	53.1	5%	0.051	28%	0.275	C	S	.	.	H	α-helix	trans	-73.4	-42	173.9	-82.1	21.5	0	0	0	111	R366 M367 F368 K552 I553 A554 L563 C565	R366-Y556 HydrophobicContact CB-CD2 4.28Å; R366-Y556 HydrophobicContact CB-CE2 3.54Å; M367-Y556 PolarHBondContact O-OH 3.45Å; F368-Y556 HydrophobicContact CD1-CD2 4.37Å; F368-Y556 AromaticContact CD1-CE2 3.74Å; F368-Y556 HydrophobicContact CD1-CE2 3.74Å; F368-Y556 AromaticContact CD1-CZ 3.88Å; F368-Y556 HydrophobicContact CE1-CE2 4.31Å; K552-Y556 PolarHBondContact O-N 2.96Å; I553-Y556 WeakPolarHBondContact O-CB 3.4Å; I553-Y556 PolarHBondContact O-N 2.83Å; A554-Y556 VanDerWaalsContact C-N 3.28Å; A554-Y556 PolarHBondContact O-N 3.09Å; Y556-L563 HydrophobicContact CD2-CD1 3.88Å; Y556-L563 HydrophobicContact CE2-CD1 4.46Å; Y556-L563 HydrophobicContact CG-CD1 4.06Å; Y556-L563 PolarHBondContact O-N 3.33Å; Y556-C565 VanDerWaalsContact CB-SG 3.55Å
557	A	76.8	Confident	85	Confident	43 Å²	43	50.8 Å²	50.8	36%	0.355	27%	0.265	S	S	.	.	H	α-helix	trans	-73.4	-35.3	-176.3	0	0	0	0	0	114.1	I553 A554 T562	I553-A557 PolarHBondContact O-N 3.19Å; A554-A557 PolarHBondContact O-N 3.33Å; A554-A557 VanDerWaalsContact O-N 3.16Å; A557-T562 WeakPolarHBondContact O-CA 3.25Å
558	T	76	Confident	85.4	Confident	115 Å²	115	49.4 Å²	49.4	71%	0.706	25%	0.251	S	S	*	.	H	α-helix	trans	-109.8	-2.1	-178.8	67.5	0	0	0	0	113.4	A554	A554-T558 PolarHBondContact O-N 2.85Å; A554-T558 PolarHBondContact O-OG1 3.47Å
559	G	72.3	Confident	85.7	Confident	29 Å²	29	47.5 Å²	47.5	30%	0.299	24%	0.242	S	C	.	.	S	Bend	trans	-70.5	-176.4	177.1	0	0	0	0	0	112.5	T555 E561 T562	T555-G559 WeakPolarHBondContact O-CA 3.36Å; T555-G559 PolarHBondContact O-N 2.99Å; G559-E561 PolarHBondContact O-N 3.02Å; G559-T562 WeakPolarHBondContact O-CG2 3.41Å; G559-T562 PolarHBondContact O-N 3.29Å
560	R	69.4	Low	86	Confident	163 Å²	163	47.5 Å²	47.5	62%	0.615	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-27.2	-179.2	-166.7	-179.4	-170.9	-167.2	5.1	113.8	D646	R560-D646 IonicContact CZ-OD1 3.41Å; R560-D646 IonicContact CZ-OD2 2.8Å; R560-D646 IonicContact NE-OD1 2.71Å; R560-D646 PolarHBondContact NE-OD1 3.49Å; R560-D646 IonicContact NH2-OD1 2.87Å; R560-D646 PolarHBondContact NH2-OD1 2.93Å; R560-D646 IonicContact NH2-OD2 2.7Å; R560-D646 PolarHBondContact NH2-OD2 3.38Å
561	E	67.7	Low	86.2	Confident	45 Å²	45	45.7 Å²	45.7	21%	0.21	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-17.1	-177	-64.3	175.3	-173.4	0	0	113.4	R366 G559 L563	R366-E561 WeakPolarHBondContact CD-OE2 3.41Å; R366-E561 WeakPolarHBondContact CG-OE2 3.23Å; R366-E561 IonicContact CZ-OE1 2.69Å; R366-E561 IonicContact CZ-OE2 3.87Å; R366-E561 VanDerWaalsContact NE-CD 3.28Å; R366-E561 IonicContact NE-OE1 2.56Å; R366-E561 PolarHBondContact NE-OE1 3.23Å; R366-E561 IonicContact NE-OE2 3.1Å; R366-E561 PolarHBondContact NE-OE2 3.31Å; R366-E561 IonicContact NH2-OE1 4Å; R366-E561 PolarHBondContact NH2-OE1 2.82Å; G559-E561 PolarHBondContact O-N 3.02Å; E561-L563 HydrophobicContact CB-CD1 4.42Å; E561-L563 HydrophobicContact CB-CD2 3.64Å; E561-L563 HydrophobicContact CB-CG 3.78Å; E561-L563 PolarHBondContact O-N 2.74Å
562	T	76.8	Confident	86.3	Confident	12 Å²	12	38.7 Å²	38.7	7%	0.074	21%	0.207	C	C	.	.			trans	39.4	62.5	-175.2	52.1	0	0	0	0	113.6	A557 G559 A636	A557-T562 WeakPolarHBondContact O-CA 3.25Å; G559-T562 WeakPolarHBondContact O-CG2 3.41Å; G559-T562 PolarHBondContact O-N 3.29Å; T562-A636 HydrophobicContact CG2-CB 3.33Å; T562-A636 VanDerWaalsContact OG1-CB 3.25Å; T562-A636 WeakPolarHBondContact OG1-CB 3.3Å
563	L	86.8	Confident	86.3	Confident	7 Å²	7	42.9 Å²	42.9	4%	0.037	23%	0.227	C	C	.	.			trans	-78.1	137.7	-172.2	-57.5	177.2	0	0	0	111.6	C365 R366 Y556 E561 C565 V602	C365-L563 HydrophobicContact CB-CD2 4.4Å; R366-L563 HydrophobicContact CB-CD1 3.79Å; R366-L563 HydrophobicContact CG-CD1 3.98Å; Y556-L563 HydrophobicContact CD2-CD1 3.88Å; Y556-L563 HydrophobicContact CE2-CD1 4.46Å; Y556-L563 HydrophobicContact CG-CD1 4.06Å; Y556-L563 PolarHBondContact O-N 3.33Å; E561-L563 HydrophobicContact CB-CD1 4.42Å; E561-L563 HydrophobicContact CB-CD2 3.64Å; E561-L563 HydrophobicContact CB-CG 3.78Å; E561-L563 PolarHBondContact O-N 2.74Å; L563-C565 PolarHBondContact O-N 3.38Å; L563-C565 PolarHBondContact O-SG 3.03Å; L563-V602 HydrophobicContact CD2-CB 3.82Å; L563-V602 HydrophobicContact CD2-CG1 4.04Å
564	R	86.9	Confident	86.3	Confident	126 Å²	126	43.3 Å²	43.3	48%	0.475	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	111.8	162.4	-179.3	173.9	-179.6	152.8	-3.7	108.6	G600 M601	R564-G600 WeakPolarHBondContact O-CA 3.48Å; R564-M601 HydrophobicContact CB-CG 3.94Å; R564-M601 WeakPolarHBondContact CB-O 3.36Å; R564-M601 HydrophobicContact CG-CG 4.35Å; R564-M601 PolarHBondContact N-O 2.71Å; R564-M601 WeakPolarHBondContact O-CG 3.25Å; R564-M601 PolarHBondContact O-N 3.26Å
565	C	91.5	Very high	86.4	Confident	19 Å²	19	42.7 Å²	42.7	13%	0.128	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	137.1	-177.1	-63	0	0	0	0	111.9	P522 I553 Y556 L563 V598 V599	P522-C565 WeakPolarHBondContact CD-O 3.47Å; P522-C565 HydrophobicContact CG-CB 3.97Å; I553-C565 HydrophobicContact CG2-CB 3.86Å; Y556-C565 VanDerWaalsContact CB-SG 3.55Å; L563-C565 PolarHBondContact O-N 3.38Å; L563-C565 PolarHBondContact O-SG 3.03Å; C565-V598 HydrophobicContact CB-CG1 4.12Å; C565-V599 CarbonylContact C-O 3.3Å; C565-V599 WeakPolarHBondContact CA-O 3.43Å
566	L	94.5	Very high	86.1	Confident	20 Å²	20	45.3 Å²	45.3	11%	0.105	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	124	174.2	-106.4	148.9	0	0	0	108.6	T446 K519 V598 V599 M601	T446-L566 HydrophobicContact CG2-CD1 3.45Å; T446-L566 VanDerWaalsContact CG2-CD1 3.45Å; K519-L566 HydrophobicContact CB-CD2 4.19Å; K519-L566 HydrophobicContact CG-CD2 4.45Å; L566-V598 WeakPolarHBondContact O-CA 3.39Å; L566-V599 HydrophobicContact CB-CG2 3.73Å; L566-V599 PolarHBondContact N-O 2.85Å; L566-V599 PolarHBondContact O-N 3Å; L566-M601 HydrophobicContact CB-CE 4.46Å; L566-M601 HydrophobicContact CD1-CE 3.54Å; L566-M601 HydrophobicContact CD1-SD 4.3Å
567	A	96.1	Very high	85.9	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	138.1	174	0	0	0	0	0	110	K519 G520 P522 I525 L595 V598	K519-A567 WeakPolarHBondContact CA-O 3.5Å; G520-A567 PolarHBondContact N-O 2.89Å; G520-A567 VanDerWaalsContact N-O 3.09Å; G520-A567 PolarHBondContact O-N 2.95Å; P522-A567 HydrophobicContact CB-CB 4.17Å; P522-A567 HydrophobicContact CG-CB 4.37Å; I525-A567 HydrophobicContact CB-CB 3.92Å; I525-A567 HydrophobicContact CG1-CB 4.19Å; I525-A567 HydrophobicContact CG2-CB 3.93Å; A567-L595 HydrophobicContact CB-CD1 4.12Å; A567-V598 HydrophobicContact CB-CG2 4.37Å
568	L	97.7	Very high	86.3	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123.2	-177.5	-56.7	173.6	0	0	0	108	L418 I421 C422 K519 V596 G597 V599	L418-L568 HydrophobicContact CD1-CD1 4.18Å; L418-L568 HydrophobicContact CD2-CD1 3.92Å; L418-L568 HydrophobicContact CG-CD1 3.64Å; I421-L568 HydrophobicContact CD1-CB 4.23Å; I421-L568 HydrophobicContact CG2-CB 4.1Å; I421-L568 HydrophobicContact CG2-CD2 3.89Å; I421-L568 HydrophobicContact CG2-CG 4.48Å; C422-L568 VanDerWaalsContact SG-CD1 3.51Å; K519-L568 HydrophobicContact CB-CD2 3.61Å; L568-V596 PolarHBondContact O-N 3.19Å; L568-G597 PolarHBondContact N-O 3.28Å; L568-G597 PolarHBondContact O-N 2.78Å; L568-V599 HydrophobicContact CD1-CG1 3.78Å; L568-V599 HydrophobicContact CD1-CG2 4.25Å
569	A	97.1	Very high	86.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	166.1	-175.8	0	0	0	0	0	110.9	V518 I525 L593 T594	V518-A569 PolarHBondContact N-O 3.37Å; V518-A569 PolarHBondContact O-N 3.07Å; V518-A569 VanDerWaalsContact O-O 3.07Å; I525-A569 HydrophobicContact CG2-CB 3.74Å; A569-L593 HydrophobicContact CB-CB 4.16Å; A569-L593 HydrophobicContact CB-CD1 4.31Å; A569-T594 CarbonylContact C-O 3.58Å; A569-T594 VanDerWaalsContact CA-O 3.27Å; A569-T594 WeakPolarHBondContact CA-O 3.39Å; A569-T594 WeakPolarHBondContact CB-O 3.39Å
570	T	96.1	Very high	87.2	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	142.7	175.8	-178.4	0	0	0	0	110.8	L516 R533 T594 V596	L516-T570 CarbonylContact O-C 3.51Å; L516-T570 VanDerWaalsContact O-CA 3.23Å; L516-T570 WeakPolarHBondContact O-CA 3.35Å; L516-T570 PolarHBondContact O-OG1 3.1Å; R533-T570 VanDerWaalsContact NH2-CG2 3.33Å; T570-T594 PolarHBondContact N-O 3.48Å; T570-T594 PolarHBondContact O-N 2.83Å; T570-V596 HydrophobicContact CG2-CG2 3.88Å
571	R	95.3	Very high	87.6	Confident	24 Å²	24	52.6 Å²	52.6	9%	0.091	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	110.7	162.8	-160.6	174.4	173	148.1	16.4	107.8	L516 E573 D588 Y589 T591 E592 L593	L516-R571 HydrophobicContact CB-CB 3.74Å; L516-R571 HydrophobicContact CD2-CB 4.43Å; L516-R571 PolarHBondContact N-O 3.47Å; L516-R571 VanDerWaalsContact N-O 3.17Å; L516-R571 PolarHBondContact O-N 3.43Å; R571-E573 VanDerWaalsContact C-N 3.29Å; R571-E573 PolarHBondContact NE-O 3.48Å; R571-E573 VanDerWaalsContact NE-O 3.09Å; R571-D588 PolarHBondContact NH1-O 3.12Å; R571-Y589 WeakPolarHBondContact CD-O 3.39Å; R571-Y589 PolarHBondContact NH1-O 2.91Å; R571-T591 WeakPolarHBondContact CD-O 3.45Å; R571-T591 PolarHBondContact NE-O 3.03Å; R571-T591 PolarHBondContact NH1-OG1 3.5Å; R571-E592 IonicContact NH2-OE2 2.72Å; R571-L593 HydrophobicContact CB-CD2 3.84Å; R571-L593 HydrophobicContact CG-CD2 4.36Å
572	D	91.3	Very high	88.1	Confident	26 Å²	26	53.2 Å²	53.2	14%	0.139	27%	0.268	C	S	.	.	S	Bend	trans	-67.2	-32.1	-179.3	-66.9	-52.6	0	0	0	112.6	R533 K538 T594	R533-D572 IonicContact CZ-OD1 2.84Å; R533-D572 IonicContact NH1-OD1 3.69Å; R533-D572 PolarHBondContact NH1-OD1 3.44Å; R533-D572 IonicContact NH1-OD2 3.95Å; R533-D572 IonicContact NH2-OD1 3.48Å; R533-D572 PolarHBondContact NH2-OD1 3Å; R533-D572 IonicContact NH2-OD2 2.79Å; K538-D572 IonicContact NZ-OD2 3.94Å; K538-D572 PolarHBondContact NZ-OD2 2.91Å; D572-T594 PolarHBondContact OD2-OG1 2.88Å
573	E	90	Very high	88	Confident	128 Å²	128	54.1 Å²	54.1	60%	0.598	27%	0.274	S	S	*	.	S	Bend	trans	-128.8	85.2	-179.4	-62.2	-169.2	156.4	0	0	108.2	K513 R571	K513-E573 IonicContact NZ-OE1 3.21Å; K513-E573 PolarHBondContact NZ-OE1 2.79Å; R571-E573 VanDerWaalsContact C-N 3.29Å; R571-E573 PolarHBondContact NE-O 3.48Å; R571-E573 VanDerWaalsContact NE-O 3.09Å
574	P	89.2	Confident	87.6	Confident	23 Å²	23	61.1 Å²	61.1	15%	0.149	30%	0.304	C	S	.	.			trans	-68.4	156.3	177.8	26	-31.4	0	0	0	112	Y502 E514 L516 F578	Y502-P574 HydrophobicContact CD2-CB 4.18Å; Y502-P574 HydrophobicContact CD2-CG 4.3Å; Y502-P574 HydrophobicContact CE2-CB 3.75Å; Y502-P574 HydrophobicContact CE2-CG 3.58Å; E514-P574 HydrophobicContact CB-CG 4.09Å; E514-P574 WeakPolarHBondContact O-CD 3.05Å; L516-P574 HydrophobicContact CB-CB 4.38Å; P574-F578 HydrophobicContact CB-CZ 4.03Å
575	P	86.9	Confident	87.5	Confident	33 Å²	33	57.5 Å²	57.5	21%	0.214	29%	0.294	C	S	.	.			trans	-59.4	144.7	173.2	-17.9	30.5	0	0	0	111.1	H577 F578 Y589	P575-H577 PolarHBondContact O-N 3.19Å; P575-F578 WeakPolarHBondContact O-CE2 3.21Å; P575-Y589 HydrophobicContact CG-CD1 4.17Å
576	S	82.2	Confident	87.4	Confident	126 Å²	126	56.9 Å²	56.9	88%	0.881	29%	0.289	S	S	*	.	S	Bend	trans	-71.8	-16.8	177.4	46.4	0	0	0	0	113.7
577	H	84.4	Confident	87	Confident	152 Å²	152	60.8 Å²	60.8	70%	0.704	31%	0.305	S	S	*	.			trans	-132.9	134.8	178.2	-164.7	43.6	0	0	0	111.6	P575	P575-H577 PolarHBondContact O-N 3.19Å
578	F	85	Confident	86.6	Confident	24 Å²	24	65.5 Å²	65.5	11%	0.105	33%	0.331	C	S	.	.			trans	-123.1	120.7	176.8	-65.2	-96.3	0	0	0	109.1	F488 Y502 L516 P574 P575 L580 Y589	F488-F578 HydrophobicContact CE1-CD2 4.41Å; F488-F578 HydrophobicContact CE2-CB 4.48Å; F488-F578 HydrophobicContact CE2-CD1 4.09Å; F488-F578 HydrophobicContact CE2-CD2 4.46Å; F488-F578 HydrophobicContact CE2-CE1 4.4Å; F488-F578 HydrophobicContact CE2-CG 4.11Å; F488-F578 HydrophobicContact CZ-CB 4.06Å; F488-F578 HydrophobicContact CZ-CD1 4.02Å; F488-F578 AromaticContact CZ-CD2 3.59Å; F488-F578 HydrophobicContact CZ-CD2 3.59Å; F488-F578 HydrophobicContact CZ-CE1 4.32Å; F488-F578 AromaticContact CZ-CE2 3.92Å; F488-F578 HydrophobicContact CZ-CE2 3.92Å; F488-F578 AromaticContact CZ-CG 3.63Å; F488-F578 HydrophobicContact CZ-CG 3.63Å; F488-F578 HydrophobicContact CZ-CZ 4.26Å; Y502-F578 AromaticContact CD2-CE2 3.75Å; Y502-F578 HydrophobicContact CD2-CE2 3.75Å; Y502-F578 AromaticContact CD2-CZ 3.64Å; Y502-F578 HydrophobicContact CD2-CZ 3.64Å; Y502-F578 AromaticContact CE2-CE2 3.63Å; Y502-F578 HydrophobicContact CE2-CE2 3.63Å; Y502-F578 AromaticContact CE2-CZ 3.85Å; Y502-F578 HydrophobicContact CE2-CZ 3.85Å; Y502-F578 HydrophobicContact CG-CE2 4.35Å; Y502-F578 HydrophobicContact CG-CZ 4.41Å; L516-F578 HydrophobicContact CD1-CE1 4.45Å; P574-F578 HydrophobicContact CB-CZ 4.03Å; P575-F578 WeakPolarHBondContact O-CE2 3.21Å; F578-L580 HydrophobicContact CB-CD2 3.85Å; F578-L580 HydrophobicContact CB-CG 4.34Å; F578-L580 PolarHBondContact O-N 2.79Å; F578-Y589 HydrophobicContact CD1-CD1 4.31Å; F578-Y589 AromaticContact CD1-CD2 3.73Å; F578-Y589 HydrophobicContact CD1-CD2 3.73Å; F578-Y589 HydrophobicContact CD1-CE2 4.19Å; F578-Y589 AromaticContact CD1-CG 3.82Å; F578-Y589 HydrophobicContact CD1-CG 3.82Å; F578-Y589 HydrophobicContact CE1-CD2 4.37Å; F578-Y589 HydrophobicContact CE1-CG 4.11Å
579	D	83.7	Confident	86.3	Confident	64 Å²	64	67 Å²	67	34%	0.342	34%	0.336	S	S	.	.			trans	-82.6	105.2	160.2	-176	8.3	0	0	0	109.1	K581 Y589	D579-K581 VanDerWaalsContact C-N 3.31Å; D579-K581 WeakPolarHBondContact OD1-CB 3.43Å; D579-K581 PolarHBondContact OD1-N 2.99Å; D579-Y589 WeakPolarHBondContact CB-OH 3.32Å; D579-Y589 PolarHBondContact N-OH 3.27Å; D579-Y589 PolarHBondContact O-OH 3.28Å
580	L	83.3	Confident	86.1	Confident	84 Å²	84	67 Å²	67	44%	0.44	34%	0.336	S	S	.	.			trans	-84	-5.1	-179.4	-56.6	178.4	0	0	0	112.9	F488 L490 F578	F488-L580 HydrophobicContact CB-CD1 4.41Å; F488-L580 HydrophobicContact CD1-CD1 4.1Å; F488-L580 HydrophobicContact CD2-CD1 4.31Å; F488-L580 HydrophobicContact CD2-CD2 3.62Å; F488-L580 HydrophobicContact CE1-CD1 4.5Å; F488-L580 HydrophobicContact CE2-CD2 3.58Å; F488-L580 HydrophobicContact CG-CD1 4.02Å; F488-L580 HydrophobicContact CG-CD2 4.18Å; F488-L580 HydrophobicContact CZ-CD2 4.11Å; L490-L580 HydrophobicContact CD2-CD2 3.7Å; F578-L580 HydrophobicContact CB-CD2 3.85Å; F578-L580 HydrophobicContact CB-CG 4.34Å; F578-L580 PolarHBondContact O-N 2.79Å
581	K	77.4	Confident	86	Confident	192 Å²	192	69.2 Å²	69.2	84%	0.835	35%	0.35	S	S	*	.	S	Bend	trans	-83.3	-30.9	-175.2	-64.4	-178.9	-179.4	177.5	0	113.5	D579	D579-K581 VanDerWaalsContact C-N 3.31Å; D579-K581 WeakPolarHBondContact OD1-CB 3.43Å; D579-K581 PolarHBondContact OD1-N 2.99Å
582	D	77.4	Confident	85.9	Confident	58 Å²	58	73.8 Å²	73.8	31%	0.31	37%	0.373	S	S	.	.			trans	-110.2	107.5	179.2	-166.5	-12.8	0	0	0	111.2	K584 N585	D582-K584 PolarHBondContact O-N 3.41Å; D582-K584 VanDerWaalsContact O-N 3.12Å; D582-K584 VanDerWaalsContact OD1-CB 3.32Å; D582-K584 WeakPolarHBondContact OD1-CB 3.23Å; D582-K584 WeakPolarHBondContact OD1-CG 3.48Å; D582-K584 PolarHBondContact OD1-N 2.91Å; D582-N585 PolarHBondContact O-N 3.46Å
583	P	76.1	Confident	86.1	Confident	30 Å²	30	72.6 Å²	72.6	20%	0.195	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-59.5	-21.8	177.9	-22.9	32.8	0	0	0	114.6	T172 N585 F586	T172-P583 HydrophobicContact CG2-CB 3.42Å; T172-P583 VanDerWaalsContact CG2-CB 3.42Å; T172-P583 HydrophobicContact CG2-CG 3.42Å; T172-P583 VanDerWaalsContact CG2-CG 3.42Å; T172-P583 VanDerWaalsContact OG1-CG 3.28Å; T172-P583 WeakPolarHBondContact OG1-CG 3.38Å; P583-N585 PolarHBondContact O-N 3.25Å; P583-F586 HydrophobicContact CB-CD2 4.11Å; P583-F586 HydrophobicContact CB-CE2 3.89Å; P583-F586 HydrophobicContact CB-CZ 4.26Å; P583-F586 HydrophobicContact CG-CE2 4.42Å; P583-F586 HydrophobicContact CG-CZ 4.49Å; P583-F586 VanDerWaalsContact O-CB 3.29Å; P583-F586 WeakPolarHBondContact O-CB 3.33Å; P583-F586 VanDerWaalsContact O-CG 3.28Å; P583-F586 WeakPolarHBondContact O-CG 3.48Å; P583-F586 PolarHBondContact O-N 2.89Å; P583-F586 VanDerWaalsContact O-N 3.11Å
584	K	78.6	Confident	86.4	Confident	155 Å²	155	66.5 Å²	66.5	67%	0.674	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-61.3	-32.2	179.1	-66.9	174.9	-178.9	175.2	0	112	D582 F586	D582-K584 PolarHBondContact O-N 3.41Å; D582-K584 VanDerWaalsContact O-N 3.12Å; D582-K584 VanDerWaalsContact OD1-CB 3.32Å; D582-K584 WeakPolarHBondContact OD1-CB 3.23Å; D582-K584 WeakPolarHBondContact OD1-CG 3.48Å; D582-K584 PolarHBondContact OD1-N 2.91Å; K584-F586 PolarHBondContact O-N 2.83Å
585	N	84	Confident	86.8	Confident	49 Å²	49	65.4 Å²	65.4	26%	0.262	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-74.8	-14.2	-179.2	-61.6	-20.3	0	0	0	112.3	D582 P583 K587 D588 Y589	D582-N585 PolarHBondContact O-N 3.46Å; P583-N585 PolarHBondContact O-N 3.25Å; N585-K587 PolarHBondContact O-N 2.82Å; N585-D588 PolarHBondContact O-N 3.46Å; N585-Y589 HydrophobicContact CB-CE2 3.88Å; N585-Y589 WeakPolarHBondContact O-CD2 3.43Å; N585-Y589 PolarHBondContact O-N 3.22Å
586	F	88.8	Confident	87.2	Confident	6 Å²	6	63.8 Å²	63.8	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-63.2	-30.3	-175.6	-62.6	-3.9	0	0	0	112.2	L490 E491 P583 K584 D588 Y589 E590	L490-F586 HydrophobicContact CB-CB 4.43Å; L490-F586 HydrophobicContact CB-CD2 3.9Å; L490-F586 HydrophobicContact CB-CE2 4.31Å; L490-F586 HydrophobicContact CB-CG 4.09Å; L490-F586 HydrophobicContact CD1-CB 4.22Å; L490-F586 HydrophobicContact CD1-CD1 4.37Å; L490-F586 HydrophobicContact CD1-CG 4.25Å; L490-F586 HydrophobicContact CD2-CD1 3.83Å; L490-F586 HydrophobicContact CD2-CD2 4.33Å; L490-F586 HydrophobicContact CD2-CE1 3.79Å; L490-F586 HydrophobicContact CD2-CE2 4.29Å; L490-F586 HydrophobicContact CD2-CG 4.12Å; L490-F586 HydrophobicContact CD2-CZ 4.03Å; L490-F586 HydrophobicContact CG-CG 4.39Å; E491-F586 HydrophobicContact CG-CE2 4.16Å; P583-F586 HydrophobicContact CB-CD2 4.11Å; P583-F586 HydrophobicContact CB-CE2 3.89Å; P583-F586 HydrophobicContact CB-CZ 4.26Å; P583-F586 HydrophobicContact CG-CE2 4.42Å; P583-F586 HydrophobicContact CG-CZ 4.49Å; P583-F586 VanDerWaalsContact O-CB 3.29Å; P583-F586 WeakPolarHBondContact O-CB 3.33Å; P583-F586 VanDerWaalsContact O-CG 3.28Å; P583-F586 WeakPolarHBondContact O-CG 3.48Å; P583-F586 PolarHBondContact O-N 2.89Å; P583-F586 VanDerWaalsContact O-N 3.11Å; K584-F586 PolarHBondContact O-N 2.83Å; F586-D588 VanDerWaalsContact C-N 3.29Å; F586-D588 PolarHBondContact O-N 2.99Å; F586-Y589 HydrophobicContact CD1-CD2 4.11Å; F586-Y589 HydrophobicContact CD1-CE2 4.09Å; F586-Y589 PolarHBondContact O-N 3.1Å; F586-E590 WeakPolarHBondContact O-CG 3.25Å; F586-E590 PolarHBondContact O-N 2.73Å; F586-E590 VanDerWaalsContact O-N 3.17Å
587	K	86.3	Confident	87.8	Confident	102 Å²	102	57.8 Å²	57.8	44%	0.443	28%	0.278	S	S	.	.	H	α-helix	trans	-61.5	-39	174.9	-173.1	179.1	177.7	-177.6	0	112	R496 N585 E590	R496-K587 HydrophobicContact CB-CB 4.39Å; R496-K587 HydrophobicContact CB-CG 4.38Å; N585-K587 PolarHBondContact O-N 2.82Å; K587-E590 CarbonylContact O-C 3.53Å; K587-E590 PolarHBondContact O-N 3.06Å
588	D	88.3	Confident	88.4	Confident	100 Å²	100	50.6 Å²	50.6	54%	0.535	25%	0.245	S	C	.	.	H	α-helix	trans	-74	-32.6	-177.8	-60.4	-27.4	0	0	0	111.4	R571 N585 F586 E590 T591	R571-D588 PolarHBondContact NH1-O 3.12Å; N585-D588 PolarHBondContact O-N 3.46Å; F586-D588 VanDerWaalsContact C-N 3.29Å; F586-D588 PolarHBondContact O-N 2.99Å; D588-E590 VanDerWaalsContact C-N 3.26Å; D588-E590 PolarHBondContact O-N 3.33Å; D588-T591 PolarHBondContact O-OG1 3.28Å
589	Y	91.8	Very high	88.9	Confident	30 Å²	30	49.4 Å²	49.4	12%	0.118	24%	0.24	C	C	.	.	H	α-helix	trans	-70.5	-21.7	171.9	-52.6	-34.5	0	0	0	113.2	L490 L516 R571 P575 F578 D579 N585 F586 T591	L490-Y589 HydrophobicContact CD1-CD2 3.97Å; L516-Y589 WeakPolarHBondContact CD2-O 3.32Å; R571-Y589 WeakPolarHBondContact CD-O 3.39Å; R571-Y589 PolarHBondContact NH1-O 2.91Å; P575-Y589 HydrophobicContact CG-CD1 4.17Å; F578-Y589 HydrophobicContact CD1-CD1 4.31Å; F578-Y589 AromaticContact CD1-CD2 3.73Å; F578-Y589 HydrophobicContact CD1-CD2 3.73Å; F578-Y589 HydrophobicContact CD1-CE2 4.19Å; F578-Y589 AromaticContact CD1-CG 3.82Å; F578-Y589 HydrophobicContact CD1-CG 3.82Å; F578-Y589 HydrophobicContact CE1-CD2 4.37Å; F578-Y589 HydrophobicContact CE1-CG 4.11Å; D579-Y589 WeakPolarHBondContact CB-OH 3.32Å; D579-Y589 PolarHBondContact N-OH 3.27Å; D579-Y589 PolarHBondContact O-OH 3.28Å; N585-Y589 HydrophobicContact CB-CE2 3.88Å; N585-Y589 WeakPolarHBondContact O-CD2 3.43Å; N585-Y589 PolarHBondContact O-N 3.22Å; F586-Y589 HydrophobicContact CD1-CD2 4.11Å; F586-Y589 HydrophobicContact CD1-CE2 4.09Å; F586-Y589 PolarHBondContact O-N 3.1Å; Y589-T591 PolarHBondContact O-N 3.38Å
590	E	92.9	Very high	89.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	39.9	178	-67.7	173.3	-173.4	0	0	111.9	R496 S498 S500 L516 V518 R528 F586 K587 D588 L593	R496-E590 WeakPolarHBondContact CD-OE2 3.38Å; R496-E590 IonicContact CZ-OE1 3.68Å; R496-E590 VanDerWaalsContact NE-CD 3.3Å; R496-E590 IonicContact NE-OE1 2.76Å; R496-E590 PolarHBondContact NE-OE1 3.26Å; R496-E590 IonicContact NE-OE2 3.27Å; R496-E590 PolarHBondContact NE-OE2 3.48Å; R496-E590 IonicContact NH2-OE1 3.75Å; R496-E590 PolarHBondContact NH2-OE1 3.29Å; S498-E590 PolarHBondContact OG-OE2 3.21Å; S500-E590 VanDerWaalsContact CB-OE1 3.28Å; S500-E590 WeakPolarHBondContact CB-OE1 3.42Å; S500-E590 WeakPolarHBondContact OG-CG 3.4Å; S500-E590 PolarHBondContact OG-OE1 3.03Å; L516-E590 HydrophobicContact CD2-CG 4.07Å; V518-E590 HydrophobicContact CG1-CG 4.43Å; V518-E590 HydrophobicContact CG2-CG 4.49Å; R528-E590 WeakPolarHBondContact CB-O 3.33Å; R528-E590 WeakPolarHBondContact CD-O 3.12Å; R528-E590 IonicContact CZ-OE2 3.5Å; R528-E590 IonicContact NH1-OE2 3.37Å; R528-E590 PolarHBondContact NH1-OE2 3.11Å; R528-E590 IonicContact NH2-OE2 2.67Å; F586-E590 WeakPolarHBondContact O-CG 3.25Å; F586-E590 PolarHBondContact O-N 2.73Å; F586-E590 VanDerWaalsContact O-N 3.17Å; K587-E590 CarbonylContact O-C 3.53Å; K587-E590 PolarHBondContact O-N 3.06Å; D588-E590 VanDerWaalsContact C-N 3.26Å; D588-E590 PolarHBondContact O-N 3.33Å; E590-L593 WeakPolarHBondContact O-CD1 3.5Å; E590-L593 WeakPolarHBondContact O-CG 3.35Å
591	T	92.7	Very high	89.7	Confident	47 Å²	47	42.4 Å²	42.4	29%	0.288	20%	0.202	S	C	.	.			trans	-106.7	166.8	174.6	54.1	0	0	0	0	111.7	R571 D588 Y589 L593	R571-T591 WeakPolarHBondContact CD-O 3.45Å; R571-T591 PolarHBondContact NE-O 3.03Å; R571-T591 PolarHBondContact NH1-OG1 3.5Å; D588-T591 PolarHBondContact O-OG1 3.28Å; Y589-T591 PolarHBondContact O-N 3.38Å; T591-L593 VanDerWaalsContact C-N 3.28Å; T591-L593 PolarHBondContact O-N 2.97Å
592	E	93.8	Very high	90.2	Very high	121 Å²	121	33.7 Å²	33.7	57%	0.565	17%	0.166	S	C	*	.	S	Bend	trans	58.4	37.4	-179.7	-58.4	-177.8	150.7	0	0	114.2	R528 T530 R571	R528-E592 PolarHBondContact O-N 2.82Å; T530-E592 WeakPolarHBondContact OG1-CA 3.19Å; R571-E592 IonicContact NH2-OE2 2.72Å
593	L	96	Very high	90.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	152.1	-174.2	-55.1	179.4	0	0	0	111.8	V518 R528 C529 T530 Y531 A569 R571 E590 T591	V518-L593 HydrophobicContact CB-CD1 4.45Å; V518-L593 HydrophobicContact CG1-CD1 4.26Å; V518-L593 HydrophobicContact CG2-CD1 4.33Å; V518-L593 HydrophobicContact CG2-CD2 3.84Å; R528-L593 HydrophobicContact CB-CD1 4.05Å; R528-L593 HydrophobicContact CB-CG 4.41Å; R528-L593 PolarHBondContact O-N 2.92Å; C529-L593 CarbonylContact C-O 3.53Å; C529-L593 VanDerWaalsContact CA-O 3.22Å; C529-L593 WeakPolarHBondContact CA-O 3Å; C529-L593 HydrophobicContact CB-CB 4.48Å; T530-L593 PolarHBondContact N-O 3.23Å; Y531-L593 PolarHBondContact N-O 3.04Å; A569-L593 HydrophobicContact CB-CB 4.16Å; A569-L593 HydrophobicContact CB-CD1 4.31Å; R571-L593 HydrophobicContact CB-CD2 3.84Å; R571-L593 HydrophobicContact CG-CD2 4.36Å; E590-L593 WeakPolarHBondContact O-CD1 3.5Å; E590-L593 WeakPolarHBondContact O-CG 3.35Å; T591-L593 VanDerWaalsContact C-N 3.28Å; T591-L593 PolarHBondContact O-N 2.97Å
594	T	96	Very high	90.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	114.1	167.2	-56.4	0	0	0	0	108.5	Y531 R533 K538 A569 T570 D572 V596	Y531-T594 CarbonylContact O-C 3.5Å; Y531-T594 WeakPolarHBondContact O-CA 3.36Å; R533-T594 HydrophobicContact CB-CG2 3.96Å; K538-T594 WeakPolarHBondContact CE-OG1 3.4Å; K538-T594 HydrophobicContact CG-CG2 4.31Å; K538-T594 PolarHBondContact NZ-OG1 3.43Å; A569-T594 CarbonylContact C-O 3.58Å; A569-T594 VanDerWaalsContact CA-O 3.27Å; A569-T594 WeakPolarHBondContact CA-O 3.39Å; A569-T594 WeakPolarHBondContact CB-O 3.39Å; T570-T594 PolarHBondContact N-O 3.48Å; T570-T594 PolarHBondContact O-N 2.83Å; D572-T594 PolarHBondContact OD2-OG1 2.88Å; T594-V596 PolarHBondContact O-N 3.34Å
595	L	96.3	Very high	90.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	126.3	177.2	-177.3	69.3	0	0	0	110.2	F370 I525 L526 C529 Y531 V532 R533 V549 A567	F370-L595 HydrophobicContact CE1-CD2 4.49Å; F370-L595 HydrophobicContact CE2-CD2 3.92Å; F370-L595 HydrophobicContact CE2-CG 3.88Å; F370-L595 HydrophobicContact CZ-CD2 3.48Å; F370-L595 VanDerWaalsContact CZ-CD2 3.48Å; F370-L595 HydrophobicContact CZ-CG 3.96Å; I525-L595 HydrophobicContact CG2-CD1 4.26Å; L526-L595 HydrophobicContact CD2-CD2 3.72Å; L526-L595 HydrophobicContact CG-CD2 4.44Å; C529-L595 HydrophobicContact CB-CB 4.38Å; Y531-L595 PolarHBondContact O-N 3.39Å; V532-L595 CarbonylContact C-O 3.54Å; V532-L595 WeakPolarHBondContact CA-O 3.23Å; V532-L595 HydrophobicContact CG2-CB 4.21Å; V532-L595 HydrophobicContact CG2-CD2 4.4Å; R533-L595 PolarHBondContact N-O 3.03Å; V549-L595 HydrophobicContact CG1-CD2 4.08Å; A567-L595 HydrophobicContact CB-CD1 4.12Å
596	V	95.8	Very high	90.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-41.9	-177.5	178.2	0	0	0	0	111.5	E417 L418 I421 R533 L568 T570 T594	E417-V596 HydrophobicContact CB-CG1 4.12Å; E417-V596 HydrophobicContact CG-CG1 4.24Å; E417-V596 HydrophobicContact CG-CG2 4.18Å; L418-V596 HydrophobicContact CB-CG1 4.23Å; I421-V596 HydrophobicContact CD1-CB 3.95Å; I421-V596 HydrophobicContact CD1-CG1 4.3Å; I421-V596 HydrophobicContact CD1-CG2 3.74Å; R533-V596 HydrophobicContact CB-CG2 4.33Å; L568-V596 PolarHBondContact O-N 3.19Å; T570-V596 HydrophobicContact CG2-CG2 3.88Å; T594-V596 PolarHBondContact O-N 3.34Å
597	G	95.5	Very high	90.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.2	-176	179.4	0	0	0	0	0	112.8	F368 L568	F368-G597 VanDerWaalsContact O-CA 3.29Å; F368-G597 WeakPolarHBondContact O-CA 3.1Å; L568-G597 PolarHBondContact N-O 3.28Å; L568-G597 PolarHBondContact O-N 2.78Å
598	V	96.3	Very high	90.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	137.9	179.4	179	0	0	0	0	109.3	M367 F368 I553 C565 L566 A567	M367-V598 CarbonylContact C-O 3.59Å; M367-V598 WeakPolarHBondContact CA-O 3.18Å; M367-V598 WeakPolarHBondContact CB-O 3.4Å; F368-V598 HydrophobicContact CD1-CB 4.09Å; F368-V598 HydrophobicContact CE1-CB 3.53Å; F368-V598 HydrophobicContact CE1-CG1 3.96Å; F368-V598 HydrophobicContact CE1-CG2 3.97Å; F368-V598 HydrophobicContact CE2-CB 4.03Å; F368-V598 HydrophobicContact CE2-CG2 3.83Å; F368-V598 HydrophobicContact CZ-CB 3.5Å; F368-V598 VanDerWaalsContact CZ-CB 3.5Å; F368-V598 HydrophobicContact CZ-CG1 4.24Å; F368-V598 HydrophobicContact CZ-CG2 3.39Å; F368-V598 PolarHBondContact N-O 3.49Å; F368-V598 PolarHBondContact O-N 3.05Å; I553-V598 HydrophobicContact CD1-CG1 4.39Å; I553-V598 HydrophobicContact CD1-CG2 3.78Å; I553-V598 HydrophobicContact CG1-CG1 4.28Å; I553-V598 HydrophobicContact CG1-CG2 4.16Å; C565-V598 HydrophobicContact CB-CG1 4.12Å; L566-V598 WeakPolarHBondContact O-CA 3.39Å; A567-V598 HydrophobicContact CB-CG2 4.37Å
599	V	96	Very high	90.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	137.6	172.5	-63.5	0	0	0	0	109.6	V364 M367 L418 L450 L453 C565 L566 L568 M601	V364-V599 HydrophobicContact CG1-CB 4.1Å; V364-V599 HydrophobicContact CG1-CG1 4.48Å; M367-V599 HydrophobicContact CB-CG1 3.95Å; L418-V599 HydrophobicContact CD1-CG1 4.49Å; L418-V599 HydrophobicContact CD2-CG1 4.06Å; L450-V599 HydrophobicContact CD2-CG2 3.78Å; L453-V599 HydrophobicContact CD2-CG1 3.87Å; C565-V599 CarbonylContact C-O 3.3Å; C565-V599 WeakPolarHBondContact CA-O 3.43Å; L566-V599 HydrophobicContact CB-CG2 3.73Å; L566-V599 PolarHBondContact N-O 2.85Å; L566-V599 PolarHBondContact O-N 3Å; L568-V599 HydrophobicContact CD1-CG1 3.78Å; L568-V599 HydrophobicContact CD1-CG2 4.25Å; V599-M601 HydrophobicContact CG2-CE 4.09Å
600	G	93.4	Very high	90.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	118.7	175.5	0	0	0	0	0	110	C365 R366 R564	C365-G600 PolarHBondContact N-O 2.86Å; R366-G600 PolarHBondContact N-O 2.8Å; R366-G600 PolarHBondContact O-N 2.83Å; R564-G600 WeakPolarHBondContact O-CA 3.48Å
601	M	91.2	Very high	90.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	153	-178.9	64	-169.7	71.5	0	0	111.9	M362 T363 V364 T446 A449 L450 R564 L566 V599	M362-M601 HydrophobicContact CG-CB 4.19Å; M362-M601 HydrophobicContact CG-CG 3.92Å; M362-M601 HydrophobicContact CG-SD 3.73Å; M362-M601 HydrophobicContact SD-CB 4.27Å; M362-M601 HydrophobicContact SD-CG 3.87Å; M362-M601 HydrophobicContact SD-SD 4.34Å; T363-M601 CarbonylContact O-C 3.57Å; T363-M601 WeakPolarHBondContact O-CA 3.43Å; T363-M601 WeakPolarHBondContact O-CB 3.47Å; V364-M601 HydrophobicContact CG2-CB 4.13Å; V364-M601 HydrophobicContact CG2-CE 4.26Å; T446-M601 HydrophobicContact CG2-CE 4.14Å; T446-M601 HydrophobicContact CG2-SD 3.51Å; T446-M601 VanDerWaalsContact CG2-SD 3.51Å; A449-M601 HydrophobicContact CB-SD 4.23Å; L450-M601 HydrophobicContact CD2-CE 3.73Å; L450-M601 HydrophobicContact CG-CE 4.43Å; R564-M601 HydrophobicContact CB-CG 3.94Å; R564-M601 WeakPolarHBondContact CB-O 3.36Å; R564-M601 HydrophobicContact CG-CG 4.35Å; R564-M601 PolarHBondContact N-O 2.71Å; R564-M601 WeakPolarHBondContact O-CG 3.25Å; R564-M601 PolarHBondContact O-N 3.26Å; L566-M601 HydrophobicContact CB-CE 4.46Å; L566-M601 HydrophobicContact CD1-CE 3.54Å; L566-M601 HydrophobicContact CD1-SD 4.3Å; V599-M601 HydrophobicContact CG2-CE 4.09Å
602	V	86.7	Confident	90.4	Very high	10 Å²	10	24.5 Å²	24.5	6%	0.061	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	159	179.4	66.6	0	0	0	0	109.2	M362 T363 C365 L563 P604	M362-V602 VanDerWaalsContact SD-C 3.59Å; T363-V602 PolarHBondContact N-O 3.06Å; T363-V602 PolarHBondContact O-N 3.38Å; C365-V602 HydrophobicContact CB-CG1 4.42Å; C365-V602 VanDerWaalsContact SG-CG1 3.52Å; L563-V602 HydrophobicContact CD2-CB 3.82Å; L563-V602 HydrophobicContact CD2-CG1 4.04Å; V602-P604 VanDerWaalsContact O-CD 3.26Å; V602-P604 WeakPolarHBondContact O-CD 3.39Å
603	D	81.5	Confident	90.3	Very high	12 Å²	12	19.2 Å²	19.2	6%	0.064	12%	0.118	C	C	.	.			trans	-87.6	99.4	163.6	177	25.4	0	0	0	108.2	K353 T358 N360 Q361 M362	K353-D603 IonicContact NZ-OD2 2.77Å; K353-D603 PolarHBondContact NZ-OD2 2.7Å; K353-D603 VanDerWaalsContact NZ-OD2 3.16Å; T358-D603 VanDerWaalsContact CB-CG 3.41Å; T358-D603 WeakPolarHBondContact CB-OD1 3.45Å; T358-D603 WeakPolarHBondContact CB-OD2 3.28Å; T358-D603 VanDerWaalsContact OG1-CG 3.22Å; T358-D603 PolarHBondContact OG1-OD1 3.35Å; T358-D603 PolarHBondContact OG1-OD2 3.23Å; N360-D603 WeakPolarHBondContact CA-OD1 3.42Å; N360-D603 PolarHBondContact N-OD1 3.35Å; Q361-D603 PolarHBondContact N-OD1 3.21Å; M362-D603 HydrophobicContact CE-CB 4.5Å
604	P	82.5	Confident	90.1	Very high	7 Å²	7	24.9 Å²	24.9	5%	0.045	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-73.2	146.6	-168.3	30	-33.5	0	0	0	111.7	T358 T359 Q361 S392 V602	T358-P604 VanDerWaalsContact CA-O 3.31Å; T358-P604 WeakPolarHBondContact CA-O 3.48Å; T358-P604 WeakPolarHBondContact CB-O 3.24Å; T359-P604 PolarHBondContact N-O 3.25Å; Q361-P604 WeakPolarHBondContact O-CD 3.23Å; S392-P604 WeakPolarHBondContact O-CG 3.45Å; V602-P604 VanDerWaalsContact O-CD 3.26Å; V602-P604 WeakPolarHBondContact O-CD 3.39Å
605	P	83.7	Confident	90	Very high	19 Å²	19	26.4 Å²	26.4	12%	0.123	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-65.2	150.5	170.7	28	-33	0	0	0	110.8	L357 R640 I641	L357-P605 WeakPolarHBondContact O-CA 3.39Å; P605-R640 HydrophobicContact CG-CG 4.16Å; P605-I641 HydrophobicContact CB-CG2 3.59Å; P605-I641 HydrophobicContact CG-CG2 4.28Å
606	R	81	Confident	89.9	Confident	43 Å²	43	26.5 Å²	26.5	16%	0.162	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-67.6	146.7	172.2	-59.5	176.6	-178.5	-101.3	2.1	110.4	G355 T356 L357 T358 T359 E608 V609 D740	G355-R606 PolarHBondContact O-NH2 3.23Å; T356-R606 WeakPolarHBondContact O-CD 3.35Å; T356-R606 PolarHBondContact O-NE 3.04Å; L357-R606 PolarHBondContact O-N 2.97Å; T358-R606 PolarHBondContact O-NE 3.25Å; T359-R606 HydrophobicContact CG2-CG 4.02Å; R606-E608 VanDerWaalsContact C-N 3.27Å; R606-E608 WeakPolarHBondContact CB-OE2 3.48Å; R606-E608 PolarHBondContact O-N 2.91Å; R606-V609 HydrophobicContact CB-CG2 3.75Å; R606-V609 PolarHBondContact O-N 2.87Å; R606-D740 PolarHBondContact NE-O 3.07Å; R606-D740 PolarHBondContact NH1-O 3.46Å; R606-D740 PolarHBondContact NH2-O 2.76Å
607	C	82.2	Confident	89.7	Confident	98 Å²	98	33.8 Å²	33.8	66%	0.662	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-36.6	-172.2	-51.1	0	0	0	0	112.1	V609	C607-V609 VanDerWaalsContact C-N 3.34Å
608	E	86.4	Confident	89.6	Confident	77 Å²	77	40.6 Å²	40.6	36%	0.36	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-17.5	-172.3	-47.4	76.6	-165.4	0	0	112.4	R606 A610 S611 S612	R606-E608 VanDerWaalsContact C-N 3.27Å; R606-E608 WeakPolarHBondContact CB-OE2 3.48Å; R606-E608 PolarHBondContact O-N 2.91Å; E608-A610 PolarHBondContact O-N 2.83Å; E608-S611 PolarHBondContact O-N 2.91Å; E608-S611 PolarHBondContact O-OG 3.08Å; E608-S612 WeakPolarHBondContact O-CB 3.5Å; E608-S612 PolarHBondContact O-N 3.42Å; E608-S612 PolarHBondContact O-OG 3.47Å
609	V	89.2	Confident	89.4	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.2	-44.9	-174.6	170.6	0	0	0	0	110.5	L357 R606 C607 S611 S612 I613 I641 F742	L357-V609 HydrophobicContact CD2-CG1 3.73Å; L357-V609 HydrophobicContact CD2-CG2 4.31Å; R606-V609 HydrophobicContact CB-CG2 3.75Å; R606-V609 PolarHBondContact O-N 2.87Å; C607-V609 VanDerWaalsContact C-N 3.34Å; V609-S611 PolarHBondContact O-N 3.42Å; V609-S612 CarbonylContact O-C 3.53Å; V609-S612 WeakPolarHBondContact O-CA 3.34Å; V609-S612 WeakPolarHBondContact O-CB 3.37Å; V609-S612 PolarHBondContact O-N 2.95Å; V609-I613 HydrophobicContact CG1-CG1 4.05Å; V609-I613 WeakPolarHBondContact O-CG1 3.33Å; V609-I613 PolarHBondContact O-N 2.97Å; V609-I641 HydrophobicContact CG1-CB 3.93Å; V609-I641 HydrophobicContact CG1-CD1 4.33Å; V609-I641 HydrophobicContact CG1-CG2 3.83Å; V609-F742 HydrophobicContact CG2-CB 3.91Å
610	A	88.4	Confident	89.3	Confident	47 Å²	47	42.7 Å²	42.7	39%	0.388	24%	0.241	S	C	.	.	H	α-helix	trans	-59.7	-44.8	-177.8	0	0	0	0	0	112.5	E608 S612 Q614	E608-A610 PolarHBondContact O-N 2.83Å; A610-S612 VanDerWaalsContact C-N 3.31Å; A610-S612 PolarHBondContact O-N 2.81Å; A610-Q614 PolarHBondContact O-N 3.26Å
611	S	92.7	Very high	89.4	Confident	73 Å²	73	43 Å²	43	51%	0.51	24%	0.242	S	C	.	.	H	α-helix	trans	-65.1	-35.3	174.1	42.6	0	0	0	0	112.6	E608 V609 Q614 A615	E608-S611 PolarHBondContact O-N 2.91Å; E608-S611 PolarHBondContact O-OG 3.08Å; V609-S611 PolarHBondContact O-N 3.42Å; S611-Q614 PolarHBondContact O-N 3.01Å; S611-A615 PolarHBondContact O-N 2.88Å
612	S	93.3	Very high	89.6	Confident	7 Å²	7	46.3 Å²	46.3	5%	0.049	26%	0.255	C	S	.	.	H	α-helix	trans	-70	-42	179.8	-58.2	0	0	0	0	112	E608 V609 A610 Q614 A615 C616 S743	E608-S612 WeakPolarHBondContact O-CB 3.5Å; E608-S612 PolarHBondContact O-N 3.42Å; E608-S612 PolarHBondContact O-OG 3.47Å; V609-S612 CarbonylContact O-C 3.53Å; V609-S612 WeakPolarHBondContact O-CA 3.34Å; V609-S612 WeakPolarHBondContact O-CB 3.37Å; V609-S612 PolarHBondContact O-N 2.95Å; A610-S612 VanDerWaalsContact C-N 3.31Å; A610-S612 PolarHBondContact O-N 2.81Å; S612-Q614 VanDerWaalsContact C-N 3.26Å; S612-Q614 PolarHBondContact O-N 3.29Å; S612-A615 WeakPolarHBondContact O-CB 3.37Å; S612-A615 PolarHBondContact O-N 2.86Å; S612-A615 VanDerWaalsContact O-N 3.15Å; S612-C616 PolarHBondContact O-N 3.16Å; S612-C616 PolarHBondContact O-SG 3.02Å; S612-C616 VanDerWaalsContact O-SG 3.37Å; S612-S743 WeakPolarHBondContact OG-CA 3.42Å; S612-S743 WeakPolarHBondContact OG-CB 3.32Å
613	I	93.2	Very high	90.1	Very high	11 Å²	11	46.2 Å²	46.2	6%	0.056	25%	0.254	C	S	.	.	H	α-helix	trans	-58.9	-40.7	172.4	-64	-62.2	0	0	0	110.5	V609 C616 K617 V623 F742	V609-I613 HydrophobicContact CG1-CG1 4.05Å; V609-I613 WeakPolarHBondContact O-CG1 3.33Å; V609-I613 PolarHBondContact O-N 2.97Å; I613-C616 PolarHBondContact O-N 2.8Å; I613-K617 PolarHBondContact O-N 2.77Å; I613-V623 HydrophobicContact CD1-CB 3.98Å; I613-V623 HydrophobicContact CD1-CG1 3.69Å; I613-V623 HydrophobicContact CD1-CG2 3.82Å; I613-F742 HydrophobicContact CD1-CE1 3.93Å; I613-F742 HydrophobicContact CD1-CZ 4.06Å
614	Q	92.1	Very high	90.8	Very high	119 Å²	119	45.6 Å²	45.6	56%	0.556	25%	0.251	S	S	*	.	H	α-helix	trans	-66.7	-38.5	176.5	-165.3	178.3	17.9	0	0	112.4	A610 S611 S612 K617 K618	A610-Q614 PolarHBondContact O-N 3.26Å; S611-Q614 PolarHBondContact O-N 3.01Å; S612-Q614 VanDerWaalsContact C-N 3.26Å; S612-Q614 PolarHBondContact O-N 3.29Å; Q614-K617 PolarHBondContact O-N 3.43Å; Q614-K618 WeakPolarHBondContact O-CG 3.49Å; Q614-K618 PolarHBondContact O-N 3.08Å
615	A	92.7	Very high	91.3	Very high	31 Å²	31	45.3 Å²	45.3	26%	0.256	25%	0.249	S	C	.	.	H	α-helix	trans	-63.4	-44.8	174	0	0	0	0	0	111.5	S611 S612 K617 K618 A619 V746	S611-A615 PolarHBondContact O-N 2.88Å; S612-A615 WeakPolarHBondContact O-CB 3.37Å; S612-A615 PolarHBondContact O-N 2.86Å; S612-A615 VanDerWaalsContact O-N 3.15Å; A615-K617 VanDerWaalsContact C-N 3.33Å; A615-K617 PolarHBondContact O-N 3.46Å; A615-K618 PolarHBondContact O-N 3.04Å; A615-A619 WeakPolarHBondContact O-CB 3.4Å; A615-A619 PolarHBondContact O-N 2.83Å; A615-V746 HydrophobicContact CB-CG1 3.96Å
616	C	94.4	Very high	91.7	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.014	24%	0.243	C	C	.	.	H	α-helix	trans	-56.5	-46.3	172.8	-68.8	0	0	0	0	111.6	S612 I613 K618 A619 G620 I621 V623	S612-C616 PolarHBondContact O-N 3.16Å; S612-C616 PolarHBondContact O-SG 3.02Å; S612-C616 VanDerWaalsContact O-SG 3.37Å; I613-C616 PolarHBondContact O-N 2.8Å; C616-K618 VanDerWaalsContact C-N 3.33Å; C616-K618 PolarHBondContact O-N 2.67Å; C616-A619 CarbonylContact O-C 3.55Å; C616-A619 PolarHBondContact O-N 2.83Å; C616-A619 VanDerWaalsContact O-N 3.11Å; C616-G620 PolarHBondContact O-N 3.48Å; C616-G620 VanDerWaalsContact O-N 3.14Å; C616-I621 CarbonylContact C-O 3.59Å; C616-I621 HydrophobicContact CB-CB 4.07Å; C616-I621 HydrophobicContact CB-CG2 4.5Å; C616-I621 PolarHBondContact O-N 2.8Å; C616-V623 HydrophobicContact CB-CG2 3.96Å
617	K	92.6	Very high	91.9	Very high	153 Å²	153	42.4 Å²	42.4	67%	0.665	24%	0.235	S	C	*	.	H	α-helix	trans	-60.5	-39.9	178	-169.1	175.8	-177.7	178.5	0	112.2	I613 Q614 A615 G620	I613-K617 PolarHBondContact O-N 2.77Å; Q614-K617 PolarHBondContact O-N 3.43Å; A615-K617 VanDerWaalsContact C-N 3.33Å; A615-K617 PolarHBondContact O-N 3.46Å; K617-G620 PolarHBondContact O-N 3.1Å
618	K	92.2	Very high	91.5	Very high	144 Å²	144	38.2 Å²	38.2	63%	0.626	21%	0.209	S	C	*	.	H	α-helix	trans	-67.4	-36.6	174.7	-73.9	179.3	-179.9	179.4	0	112.5	Q614 A615 C616 G620	Q614-K618 WeakPolarHBondContact O-CG 3.49Å; Q614-K618 PolarHBondContact O-N 3.08Å; A615-K618 PolarHBondContact O-N 3.04Å; C616-K618 VanDerWaalsContact C-N 3.33Å; C616-K618 PolarHBondContact O-N 2.67Å; K618-G620 PolarHBondContact O-N 2.83Å
619	A	92.7	Very high	90.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	3	178.9	0	0	0	0	0	114.1	A615 C616 I621 R753 M819 K821 P823	A615-A619 WeakPolarHBondContact O-CB 3.4Å; A615-A619 PolarHBondContact O-N 2.83Å; C616-A619 CarbonylContact O-C 3.55Å; C616-A619 PolarHBondContact O-N 2.83Å; C616-A619 VanDerWaalsContact O-N 3.11Å; A619-I621 VanDerWaalsContact C-N 3.31Å; A619-I621 HydrophobicContact CB-CD1 4.08Å; A619-I621 HydrophobicContact CB-CG1 4.14Å; A619-I621 PolarHBondContact O-N 3.37Å; A619-R753 PolarHBondContact O-NH2 2.81Å; A619-M819 VanDerWaalsContact CA-O 3.23Å; A619-M819 WeakPolarHBondContact CA-O 3.45Å; A619-M819 HydrophobicContact CB-CE 3.8Å; A619-M819 WeakPolarHBondContact CB-O 3.37Å; A619-M819 HydrophobicContact CB-SD 4.36Å; A619-M819 PolarHBondContact N-O 3.28Å; A619-K821 VanDerWaalsContact O-O 3.09Å; A619-P823 WeakPolarHBondContact O-CD 3.42Å
620	G	94.1	Very high	90.3	Very high	44 Å²	44	38.9 Å²	38.9	45%	0.454	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	20.1	-177.7	0	0	0	0	0	114.5	C616 K617 K618 P823	C616-G620 PolarHBondContact O-N 3.48Å; C616-G620 VanDerWaalsContact O-N 3.14Å; K617-G620 PolarHBondContact O-N 3.1Å; K618-G620 PolarHBondContact O-N 2.83Å; G620-P823 WeakPolarHBondContact O-CD 3.4Å
621	I	95.6	Very high	90.1	Very high	7 Å²	7	39.2 Å²	39.2	4%	0.036	21%	0.208	C	C	.	.			trans	-96.4	124.8	-180	-54.3	173.1	0	0	0	109	T347 I349 C616 A619 V749 P823	T347-I621 WeakPolarHBondContact O-CA 3.31Å; I349-I621 HydrophobicContact CD1-CG2 3.84Å; I349-I621 HydrophobicContact CG1-CG2 3.84Å; C616-I621 CarbonylContact C-O 3.59Å; C616-I621 HydrophobicContact CB-CB 4.07Å; C616-I621 HydrophobicContact CB-CG2 4.5Å; C616-I621 PolarHBondContact O-N 2.8Å; A619-I621 VanDerWaalsContact C-N 3.31Å; A619-I621 HydrophobicContact CB-CD1 4.08Å; A619-I621 HydrophobicContact CB-CG1 4.14Å; A619-I621 PolarHBondContact O-N 3.37Å; I621-V749 HydrophobicContact CD1-CG1 3.73Å; I621-P823 HydrophobicContact CG1-CG 4.08Å
622	R	95.3	Very high	89.5	Confident	68 Å²	68	38.5 Å²	38.5	26%	0.257	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	140	175.4	-174.7	173.4	65.7	-168.5	0	110.2	T347 V348 I349 I624 R673	T347-R622 PolarHBondContact O-N 3.09Å; V348-R622 CarbonylContact C-O 3.5Å; V348-R622 VanDerWaalsContact CA-O 3.28Å; V348-R622 WeakPolarHBondContact CA-O 3.28Å; V348-R622 HydrophobicContact CG2-CB 4.3Å; I349-R622 PolarHBondContact N-O 3.27Å; R622-I624 HydrophobicContact CG-CG1 4.43Å; R622-R673 PolarHBondContact NH1-O 2.99Å
623	V	95.7	Very high	88.8	Confident	8 Å²	8	39.4 Å²	39.4	5%	0.048	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	134.2	172.4	-175.6	0	0	0	0	109.1	I349 I613 C616 L643 F742	I349-V623 CarbonylContact O-C 3.54Å; I349-V623 WeakPolarHBondContact O-CA 3.26Å; I613-V623 HydrophobicContact CD1-CB 3.98Å; I613-V623 HydrophobicContact CD1-CG1 3.69Å; I613-V623 HydrophobicContact CD1-CG2 3.82Å; C616-V623 HydrophobicContact CB-CG2 3.96Å; V623-L643 HydrophobicContact CB-CD1 3.97Å; V623-L643 HydrophobicContact CG1-CD1 4.37Å; V623-L643 WeakPolarHBondContact O-CD1 3.38Å; V623-F742 HydrophobicContact CG1-CZ 4.37Å; V623-F742 HydrophobicContact CG2-CZ 4.41Å
624	I	96	Very high	88.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	124.6	175.5	-57.4	-178.6	0	0	0	107.4	V348 I349 C350 S351 R622 I626 K676 F678 L693	V348-I624 HydrophobicContact CG1-CD1 3.69Å; V348-I624 HydrophobicContact CG1-CG1 3.92Å; I349-I624 PolarHBondContact O-N 3.12Å; C350-I624 CarbonylContact C-O 3.6Å; C350-I624 VanDerWaalsContact CA-O 3.31Å; C350-I624 WeakPolarHBondContact CA-O 3.37Å; S351-I624 PolarHBondContact N-O 3.11Å; R622-I624 HydrophobicContact CG-CG1 4.43Å; I624-I626 HydrophobicContact CG2-CG1 4.12Å; I624-K676 CarbonylContact C-O 3.41Å; I624-K676 WeakPolarHBondContact CA-O 3.5Å; I624-F678 HydrophobicContact CG2-CD2 3.66Å; I624-F678 HydrophobicContact CG2-CE2 3.76Å; I624-L693 HydrophobicContact CD1-CD1 4.4Å; I624-L693 HydrophobicContact CD1-CD2 4.42Å
625	V	94	Very high	88.1	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131.2	175.6	177.9	0	0	0	0	109.2	S351 K353 L357 I641 L643 K676 L677 F678	S351-V625 WeakPolarHBondContact O-CA 3.4Å; K353-V625 HydrophobicContact CB-CG1 4.13Å; L357-V625 HydrophobicContact CD1-CG1 4.18Å; L357-V625 HydrophobicContact CD1-CG2 3.63Å; V625-I641 HydrophobicContact CG2-CD1 4.36Å; V625-L643 HydrophobicContact CB-CD2 4.29Å; V625-L643 HydrophobicContact CG2-CD2 3.61Å; V625-K676 PolarHBondContact N-O 3.32Å; V625-L677 HydrophobicContact CB-CD1 3.96Å; V625-L677 HydrophobicContact CG1-CD1 3.88Å; V625-L677 CarbonylContact O-C 3.59Å; V625-L677 WeakPolarHBondContact O-CA 3.46Å; V625-F678 PolarHBondContact O-N 3.25Å
626	I	91.6	Very high	87.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120.7	-178.7	-56.8	-175.5	0	0	0	106.8	C350 S351 D352 I624 F678 V681 K686 I689 M702	C350-I626 HydrophobicContact CB-CD1 3.76Å; S351-I626 PolarHBondContact O-N 3.1Å; D352-I626 WeakPolarHBondContact CA-O 3.41Å; D352-I626 VanDerWaalsContact OD1-O 3.1Å; I624-I626 HydrophobicContact CG2-CG1 4.12Å; I626-F678 CarbonylContact C-O 3.57Å; I626-F678 WeakPolarHBondContact CA-O 3.48Å; I626-V681 HydrophobicContact CG2-CB 4.35Å; I626-V681 HydrophobicContact CG2-CG2 3.57Å; I626-K686 HydrophobicContact CG2-CD 4.14Å; I626-K686 HydrophobicContact CG2-CG 3.8Å; I626-I689 HydrophobicContact CD1-CB 4.5Å; I626-I689 HydrophobicContact CD1-CD1 3.97Å; I626-I689 HydrophobicContact CD1-CG2 4.12Å; I626-I689 HydrophobicContact CG1-CD1 4.47Å; I626-M702 HydrophobicContact CD1-CE 4.32Å; I626-M702 HydrophobicContact CD1-SD 4.16Å
627	T	84.7	Confident	87.2	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	148.6	-171.9	-172.7	0	0	0	0	114.2	K353 D629 A634 L677 F678 A679 R680 V681	K353-T627 HydrophobicContact CB-CG2 4.44Å; K353-T627 WeakPolarHBondContact CB-OG1 3.41Å; T627-D629 HydrophobicContact CG2-CB 3.99Å; T627-D629 PolarHBondContact O-N 2.84Å; T627-D629 PolarHBondContact OG1-N 3.03Å; T627-A634 HydrophobicContact CG2-CB 3.64Å; T627-L677 HydrophobicContact CG2-CD1 4.26Å; T627-F678 PolarHBondContact N-O 3.21Å; T627-A679 HydrophobicContact CG2-CB 4.35Å; T627-A679 CarbonylContact O-C 3.52Å; T627-A679 VanDerWaalsContact O-C 3.28Å; T627-A679 WeakPolarHBondContact O-CA 3.43Å; T627-R680 PolarHBondContact O-N 3.23Å; T627-V681 WeakPolarHBondContact O-CG2 3.45Å; T627-V681 PolarHBondContact O-N 3.11Å
628	G	74.9	Confident	87	Confident	11 Å²	11	27 Å²	27	11%	0.113	15%	0.152	C	C	.	.	S	Bend	trans	-69.8	-16.7	168.7	0	0	0	0	0	114
629	D	73.9	Confident	86.9	Confident	33 Å²	33	22.6 Å²	22.6	18%	0.176	13%	0.132	C	C	.	.	S	Bend	trans	-62.9	161.9	-176.7	-106.6	-33.5	0	0	0	112.8	K353 T627 A679 R680	K353-D629 WeakPolarHBondContact CE-OD2 3.48Å; K353-D629 IonicContact NZ-OD2 3.72Å; K353-D629 PolarHBondContact NZ-OD2 3.47Å; T627-D629 HydrophobicContact CG2-CB 3.99Å; T627-D629 PolarHBondContact O-N 2.84Å; T627-D629 PolarHBondContact OG1-N 3.03Å; D629-A679 WeakPolarHBondContact O-CB 2.77Å; D629-R680 WeakPolarHBondContact O-CG 3.38Å; D629-R680 PolarHBondContact O-N 3.03Å
630	N	76.7	Confident	86.4	Confident	57 Å²	57	28.2 Å²	28.2	31%	0.305	15%	0.153	S	C	.	.			trans	-64.9	151.9	172.6	78.1	65	0	0	0	111.4	A632 T633 A634	N630-A632 VanDerWaalsContact C-N 3.34Å; N630-A632 PolarHBondContact O-N 2.96Å; N630-A632 PolarHBondContact OD1-N 2.99Å; N630-A632 VanDerWaalsContact OD1-N 3.11Å; N630-T633 PolarHBondContact ND2-OG1 2.99Å; N630-T633 PolarHBondContact O-N 3.45Å; N630-T633 WeakPolarHBondContact OD1-CB 3.15Å; N630-T633 PolarHBondContact OD1-N 3.38Å; N630-T633 PolarHBondContact OD1-OG1 3.46Å; N630-A634 WeakPolarHBondContact O-CB 3.42Å; N630-A634 PolarHBondContact O-N 3.12Å
631	K	83.6	Confident	86.2	Confident	54 Å²	54	26.2 Å²	26.2	24%	0.235	13%	0.132	C	C	.	.	H	α-helix	trans	-56.5	-43.4	-175.7	-167.7	177.6	-172.7	166.3	0	113.3	A634 E635 S654 T656 E659 A679	K631-A634 PolarHBondContact O-N 3.32Å; K631-E635 WeakPolarHBondContact CE-OE1 3.46Å; K631-E635 HydrophobicContact CG-CG 4.46Å; K631-E635 WeakPolarHBondContact O-CB 3.48Å; K631-E635 WeakPolarHBondContact O-CG 3.33Å; K631-E635 PolarHBondContact O-N 3.03Å; K631-S654 WeakPolarHBondContact CE-O 3.43Å; K631-S654 WeakPolarHBondContact CE-OG 3.31Å; K631-S654 PolarHBondContact NZ-O 3.31Å; K631-T656 HydrophobicContact CB-CG2 3.96Å; K631-T656 HydrophobicContact CD-CG2 3.85Å; K631-T656 HydrophobicContact CG-CG2 4.31Å; K631-E659 IonicContact NZ-OE1 3.96Å; K631-E659 PolarHBondContact NZ-OE1 2.83Å; K631-E659 IonicContact NZ-OE2 2.76Å; K631-E659 PolarHBondContact NZ-OE2 3.26Å; K631-A679 HydrophobicContact CB-CB 4.13Å; K631-A679 HydrophobicContact CG-CB 4.47Å
632	A	81.1	Confident	85.9	Confident	58 Å²	58	28.2 Å²	28.2	48%	0.479	15%	0.154	S	C	.	.	H	α-helix	trans	-65.8	-46.6	-175.5	0	0	0	0	0	112.1	N630 A634 E635 A636	N630-A632 VanDerWaalsContact C-N 3.34Å; N630-A632 PolarHBondContact O-N 2.96Å; N630-A632 PolarHBondContact OD1-N 2.99Å; N630-A632 VanDerWaalsContact OD1-N 3.11Å; A632-A634 VanDerWaalsContact C-N 3.34Å; A632-E635 PolarHBondContact O-N 3.26Å; A632-A636 PolarHBondContact O-N 3.07Å
633	T	77.1	Confident	85.8	Confident	26 Å²	26	25.8 Å²	25.8	16%	0.16	15%	0.146	C	C	.	.	H	α-helix	trans	-62.7	-43.3	175.6	-60.9	0	0	0	0	111	N630 E635 A636 I637	N630-T633 PolarHBondContact ND2-OG1 2.99Å; N630-T633 PolarHBondContact O-N 3.45Å; N630-T633 WeakPolarHBondContact OD1-CB 3.15Å; N630-T633 PolarHBondContact OD1-N 3.38Å; N630-T633 PolarHBondContact OD1-OG1 3.46Å; T633-E635 PolarHBondContact O-N 3.15Å; T633-A636 PolarHBondContact O-N 3.34Å; T633-I637 HydrophobicContact CG2-CD1 4.15Å; T633-I637 WeakPolarHBondContact O-CG1 3.21Å; T633-I637 PolarHBondContact O-N 2.93Å
634	A	83.6	Confident	85.6	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-63.7	-42	178.4	0	0	0	0	0	112.2	T627 N630 K631 A632 I637 C638 L677 A679	T627-A634 HydrophobicContact CG2-CB 3.64Å; N630-A634 WeakPolarHBondContact O-CB 3.42Å; N630-A634 PolarHBondContact O-N 3.12Å; K631-A634 PolarHBondContact O-N 3.32Å; A632-A634 VanDerWaalsContact C-N 3.34Å; A634-I637 PolarHBondContact O-N 2.72Å; A634-C638 WeakPolarHBondContact O-CB 3.32Å; A634-C638 PolarHBondContact O-N 3.25Å; A634-C638 PolarHBondContact O-SG 3.49Å; A634-L677 HydrophobicContact CB-CD1 3.74Å; A634-L677 HydrophobicContact CB-CD2 3.79Å; A634-L677 HydrophobicContact CB-CG 4.31Å; A634-A679 HydrophobicContact CB-CB 4.17Å
635	E	87.4	Confident	85.1	Confident	35 Å²	35	31.9 Å²	31.9	16%	0.164	17%	0.174	C	C	.	.	H	α-helix	trans	-62.4	-42.5	175.7	-77.9	-178.8	177.7	0	0	112.3	K631 A632 T633 C638 R639 T650 S654 L677	K631-E635 WeakPolarHBondContact CE-OE1 3.46Å; K631-E635 HydrophobicContact CG-CG 4.46Å; K631-E635 WeakPolarHBondContact O-CB 3.48Å; K631-E635 WeakPolarHBondContact O-CG 3.33Å; K631-E635 PolarHBondContact O-N 3.03Å; A632-E635 PolarHBondContact O-N 3.26Å; T633-E635 PolarHBondContact O-N 3.15Å; E635-C638 PolarHBondContact O-N 2.99Å; E635-R639 WeakPolarHBondContact O-CG 3.44Å; E635-R639 PolarHBondContact O-N 2.64Å; E635-T650 HydrophobicContact CG-CG2 4.39Å; E635-T650 PolarHBondContact OE1-OG1 3.33Å; E635-S654 WeakPolarHBondContact CG-OG 3.45Å; E635-S654 WeakPolarHBondContact OE1-CB 3.39Å; E635-S654 PolarHBondContact OE1-OG 2.84Å; E635-L677 HydrophobicContact CB-CD2 4.24Å; E635-L677 HydrophobicContact CG-CD2 3.53Å
636	A	83.2	Confident	84.4	Confident	10 Å²	10	36.1 Å²	36.1	8%	0.083	20%	0.197	C	C	.	.	H	α-helix	trans	-64.2	-42.8	178.6	0	0	0	0	0	112.4	T562 A632 T633 R639 R640	T562-A636 HydrophobicContact CG2-CB 3.33Å; T562-A636 VanDerWaalsContact OG1-CB 3.25Å; T562-A636 WeakPolarHBondContact OG1-CB 3.3Å; A632-A636 PolarHBondContact O-N 3.07Å; T633-A636 PolarHBondContact O-N 3.34Å; A636-R639 PolarHBondContact O-N 3.48Å; A636-R640 PolarHBondContact O-N 3.46Å; A636-R640 VanDerWaalsContact O-N 3.09Å
637	I	84.6	Confident	83.9	Confident	8 Å²	8	46 Å²	46	4%	0.041	24%	0.24	C	C	.	.	H	α-helix	trans	-63.6	-43.3	174.2	-68.1	175.3	0	0	0	110.4	K353 T358 T633 A634 R639 R640 I641	K353-I637 HydrophobicContact CD-CD1 3.68Å; K353-I637 HydrophobicContact CG-CD1 4.45Å; K353-I637 HydrophobicContact CG-CG2 4.33Å; T358-I637 HydrophobicContact CG2-CD1 4.35Å; T358-I637 HydrophobicContact CG2-CG2 4.48Å; T633-I637 HydrophobicContact CG2-CD1 4.15Å; T633-I637 WeakPolarHBondContact O-CG1 3.21Å; T633-I637 PolarHBondContact O-N 2.93Å; A634-I637 PolarHBondContact O-N 2.72Å; I637-R639 VanDerWaalsContact C-N 3.32Å; I637-R639 PolarHBondContact O-N 3.14Å; I637-R640 WeakPolarHBondContact O-CB 3.43Å; I637-R640 PolarHBondContact O-N 3.37Å; I637-I641 HydrophobicContact CG2-CG2 4.49Å; I637-I641 WeakPolarHBondContact O-CG1 3.41Å; I637-I641 PolarHBondContact O-N 3.06Å
638	C	89.9	Confident	83.9	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.007	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-37.4	177.6	-71.8	0	0	0	0	112.8	A634 E635 I641 G642 L643 F644	A634-C638 WeakPolarHBondContact O-CB 3.32Å; A634-C638 PolarHBondContact O-N 3.25Å; A634-C638 PolarHBondContact O-SG 3.49Å; E635-C638 PolarHBondContact O-N 2.99Å; C638-I641 WeakPolarHBondContact O-CG1 3.38Å; C638-G642 PolarHBondContact O-N 3.02Å; C638-L643 HydrophobicContact CB-CB 4.17Å; C638-L643 HydrophobicContact CB-CD2 3.94Å; C638-L643 WeakPolarHBondContact O-CB 3.37Å; C638-L643 PolarHBondContact O-N 3.2Å; C638-F644 HydrophobicContact CB-CD2 3.43Å; C638-F644 VanDerWaalsContact CB-CD2 3.43Å; C638-F644 HydrophobicContact CB-CE2 3.72Å; C638-F644 PolarHBondContact O-N 2.77Å
639	R	88.6	Confident	84.5	Confident	53 Å²	53	52.2 Å²	52.2	20%	0.2	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-42.1	171.6	-71	179.8	-165.5	-76.2	3.2	111.5	E635 A636 I637 I641 G642 F644 E645 D646 E648	E635-R639 WeakPolarHBondContact O-CG 3.44Å; E635-R639 PolarHBondContact O-N 2.64Å; A636-R639 PolarHBondContact O-N 3.48Å; I637-R639 VanDerWaalsContact C-N 3.32Å; I637-R639 PolarHBondContact O-N 3.14Å; R639-I641 PolarHBondContact O-N 3.02Å; R639-G642 PolarHBondContact O-N 3.38Å; R639-F644 WeakPolarHBondContact CA-O 3.48Å; R639-F644 HydrophobicContact CG-CB 3.78Å; R639-E645 PolarHBondContact NH1-O 3.41Å; R639-D646 PolarHBondContact NH1-O 2.88Å; R639-E648 PolarHBondContact NH1-O 3.06Å; R639-E648 PolarHBondContact NH2-O 3.35Å
640	R	83.7	Confident	85.1	Confident	117 Å²	117	51.5 Å²	51.5	44%	0.442	27%	0.266	S	S	.	.	H	α-helix	trans	-67.2	-36.3	-177.7	-168.9	169.5	-179.9	163.4	1.8	113.6	P605 A636 I637 G642	P605-R640 HydrophobicContact CG-CG 4.16Å; A636-R640 PolarHBondContact O-N 3.46Å; A636-R640 VanDerWaalsContact O-N 3.09Å; I637-R640 WeakPolarHBondContact O-CB 3.43Å; I637-R640 PolarHBondContact O-N 3.37Å; R640-G642 PolarHBondContact O-N 3.32Å
641	I	89.6	Confident	85.5	Confident	3 Å²	3	52.9 Å²	52.9	2%	0.015	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-0.2	176.2	67	175.1	0	0	0	113.2	L357 P605 V609 V625 I637 C638 R639 L643	L357-I641 HydrophobicContact CD1-CD1 4.09Å; P605-I641 HydrophobicContact CB-CG2 3.59Å; P605-I641 HydrophobicContact CG-CG2 4.28Å; V609-I641 HydrophobicContact CG1-CB 3.93Å; V609-I641 HydrophobicContact CG1-CD1 4.33Å; V609-I641 HydrophobicContact CG1-CG2 3.83Å; V625-I641 HydrophobicContact CG2-CD1 4.36Å; I637-I641 HydrophobicContact CG2-CG2 4.49Å; I637-I641 WeakPolarHBondContact O-CG1 3.41Å; I637-I641 PolarHBondContact O-N 3.06Å; C638-I641 WeakPolarHBondContact O-CG1 3.38Å; R639-I641 PolarHBondContact O-N 3.02Å; I641-L643 HydrophobicContact CD1-CB 4.37Å; I641-L643 HydrophobicContact CG1-CB 4.13Å
642	G	89.7	Confident	85.7	Confident	49 Å²	49	52.4 Å²	52.4	51%	0.505	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	17.1	178.1	0	0	0	0	0	115.1	C638 R639 R640	C638-G642 PolarHBondContact O-N 3.02Å; R639-G642 PolarHBondContact O-N 3.38Å; R640-G642 PolarHBondContact O-N 3.32Å
643	L	91.7	Very high	86.2	Confident	16 Å²	16	52.8 Å²	52.8	8%	0.084	28%	0.282	C	S	.	.	S	Bend	trans	-74.4	-41.6	174.7	-173	72.7	0	0	0	111.9	V623 V625 C638 I641 K676	V623-L643 HydrophobicContact CB-CD1 3.97Å; V623-L643 HydrophobicContact CG1-CD1 4.37Å; V623-L643 WeakPolarHBondContact O-CD1 3.38Å; V625-L643 HydrophobicContact CB-CD2 4.29Å; V625-L643 HydrophobicContact CG2-CD2 3.61Å; C638-L643 HydrophobicContact CB-CB 4.17Å; C638-L643 HydrophobicContact CB-CD2 3.94Å; C638-L643 WeakPolarHBondContact O-CB 3.37Å; C638-L643 PolarHBondContact O-N 3.2Å; I641-L643 HydrophobicContact CD1-CB 4.37Å; I641-L643 HydrophobicContact CG1-CB 4.13Å; L643-K676 HydrophobicContact CD2-CB 4.1Å; L643-K676 WeakPolarHBondContact CD2-O 3.39Å; L643-K676 HydrophobicContact CG-CB 4.29Å; L643-K676 HydrophobicContact CG-CD 4.29Å; L643-K676 PolarHBondContact O-NZ 3.09Å; L643-K676 VanDerWaalsContact O-NZ 3.08Å
644	F	91.4	Very high	87	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.009	28%	0.275	C	S	.	.	S	Bend	trans	-108.6	146	167.3	-65	-61.8	0	0	0	109.5	C638 R639 E648 T650 K653 K676 L677	C638-F644 HydrophobicContact CB-CD2 3.43Å; C638-F644 VanDerWaalsContact CB-CD2 3.43Å; C638-F644 HydrophobicContact CB-CE2 3.72Å; C638-F644 PolarHBondContact O-N 2.77Å; R639-F644 WeakPolarHBondContact CA-O 3.48Å; R639-F644 HydrophobicContact CG-CB 3.78Å; F644-E648 VanDerWaalsContact CA-OE2 3.28Å; F644-E648 WeakPolarHBondContact CA-OE2 3.4Å; F644-T650 HydrophobicContact CD1-CG2 4.13Å; F644-T650 HydrophobicContact CD2-CG2 4.12Å; F644-T650 HydrophobicContact CE1-CG2 4.08Å; F644-T650 HydrophobicContact CE2-CG2 4.11Å; F644-T650 HydrophobicContact CG-CG2 4.15Å; F644-T650 HydrophobicContact CZ-CG2 4.09Å; F644-K653 HydrophobicContact CE1-CB 3.87Å; F644-K653 HydrophobicContact CE1-CD 4.22Å; F644-K653 HydrophobicContact CZ-CB 4.28Å; F644-K676 HydrophobicContact CD1-CD 3.96Å; F644-K676 HydrophobicContact CE1-CB 3.84Å; F644-K676 HydrophobicContact CE1-CD 3.64Å; F644-K676 HydrophobicContact CE1-CG 4.23Å; F644-K676 HydrophobicContact CZ-CB 3.74Å; F644-K676 HydrophobicContact CZ-CD 4.35Å; F644-L677 HydrophobicContact CE2-CB 3.94Å; F644-L677 HydrophobicContact CE2-CD2 4.16Å; F644-L677 HydrophobicContact CZ-CB 4.04Å
645	E	86.9	Confident	87.4	Confident	134 Å²	134	53 Å²	53	63%	0.626	28%	0.281	S	S	*	.			trans	-72.6	155.7	168.4	-54.5	-178.5	174.8	0	0	110.2	R639 K647 E648	R639-E645 PolarHBondContact NH1-O 3.41Å; E645-K647 PolarHBondContact O-N 3.46Å; E645-E648 HydrophobicContact CB-CB 4.06Å; E645-E648 PolarHBondContact N-OE2 3.21Å; E645-E648 PolarHBondContact O-N 3.34Å; E645-E648 VanDerWaalsContact O-N 3.07Å
646	D	78.3	Confident	87.5	Confident	90 Å²	90	52.7 Å²	52.7	48%	0.481	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-29.7	-171.4	-80.7	-35.6	0	0	0	114	R560 R639	R560-D646 IonicContact CZ-OD1 3.41Å; R560-D646 IonicContact CZ-OD2 2.8Å; R560-D646 IonicContact NE-OD1 2.71Å; R560-D646 PolarHBondContact NE-OD1 3.49Å; R560-D646 IonicContact NH2-OD1 2.87Å; R560-D646 PolarHBondContact NH2-OD1 2.93Å; R560-D646 IonicContact NH2-OD2 2.7Å; R560-D646 PolarHBondContact NH2-OD2 3.38Å; R639-D646 PolarHBondContact NH1-O 2.88Å
647	K	80.9	Confident	87.6	Confident	208 Å²	208	52.2 Å²	52.2	90%	0.904	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	13.4	179.8	-61.6	-173.9	-179.5	-179.4	0	114	E645 D649	E645-K647 PolarHBondContact O-N 3.46Å; K647-D649 PolarHBondContact O-N 2.86Å
648	E	85.8	Confident	87.4	Confident	34 Å²	34	59.7 Å²	59.7	16%	0.159	31%	0.305	C	S	.	.			trans	-64.2	133	177.3	-171.7	179.5	168.8	0	0	110.3	R639 F644 E645 T650 K653 K676	R639-E648 PolarHBondContact NH1-O 3.06Å; R639-E648 PolarHBondContact NH2-O 3.35Å; F644-E648 VanDerWaalsContact CA-OE2 3.28Å; F644-E648 WeakPolarHBondContact CA-OE2 3.4Å; E645-E648 HydrophobicContact CB-CB 4.06Å; E645-E648 PolarHBondContact N-OE2 3.21Å; E645-E648 PolarHBondContact O-N 3.34Å; E645-E648 VanDerWaalsContact O-N 3.07Å; E648-T650 PolarHBondContact O-N 3.18Å; E648-K653 IonicContact OE1-NZ 2.65Å; E648-K653 PolarHBondContact OE1-NZ 3.34Å; E648-K676 IonicContact OE1-NZ 3.88Å; E648-K676 PolarHBondContact OE1-NZ 3.48Å; E648-K676 VanDerWaalsContact OE1-NZ 3.13Å; E648-K676 IonicContact OE2-NZ 3.4Å
649	D	87.1	Confident	87.4	Confident	107 Å²	107	63.6 Å²	63.6	57%	0.572	32%	0.323	S	S	*	.			trans	-67.2	125.8	169.2	-177	10.9	0	0	0	109.7	K647 S651	K647-D649 PolarHBondContact O-N 2.86Å; D649-S651 VanDerWaalsContact OD1-CB 3.28Å; D649-S651 WeakPolarHBondContact OD1-CB 3.4Å; D649-S651 PolarHBondContact OD1-N 3.18Å; D649-S651 PolarHBondContact OD1-OG 3.09Å
650	T	86.8	Confident	87.5	Confident	18 Å²	18	61.1 Å²	61.1	11%	0.11	31%	0.314	C	S	.	.			trans	-91.8	-3.3	-178.7	53.2	0	0	0	0	112.6	E635 F644 E648 G652 K653 S654	E635-T650 HydrophobicContact CG-CG2 4.39Å; E635-T650 PolarHBondContact OE1-OG1 3.33Å; F644-T650 HydrophobicContact CD1-CG2 4.13Å; F644-T650 HydrophobicContact CD2-CG2 4.12Å; F644-T650 HydrophobicContact CE1-CG2 4.08Å; F644-T650 HydrophobicContact CE2-CG2 4.11Å; F644-T650 HydrophobicContact CG-CG2 4.15Å; F644-T650 HydrophobicContact CZ-CG2 4.09Å; E648-T650 PolarHBondContact O-N 3.18Å; T650-G652 PolarHBondContact O-N 2.99Å; T650-K653 PolarHBondContact O-N 3.16Å; T650-S654 PolarHBondContact O-N 3.47Å
651	S	85.2	Confident	87.6	Confident	87 Å²	87	59 Å²	59	61%	0.608	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	124.6	176.4	-59.8	0	0	0	0	111.1	D649 K653	D649-S651 VanDerWaalsContact OD1-CB 3.28Å; D649-S651 WeakPolarHBondContact OD1-CB 3.4Å; D649-S651 PolarHBondContact OD1-N 3.18Å; D649-S651 PolarHBondContact OD1-OG 3.09Å; S651-K653 PolarHBondContact O-N 3.34Å
652	G	87.2	Confident	87.6	Confident	44 Å²	44	65 Å²	65	45%	0.454	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	1.2	-176	0	0	0	0	0	115.6	T650 F655	T650-G652 PolarHBondContact O-N 2.99Å; G652-F655 WeakPolarHBondContact O-CE2 3.37Å; G652-F655 WeakPolarHBondContact O-CZ 3.49Å
653	K	92.3	Very high	87.6	Confident	66 Å²	66	64.9 Å²	64.9	29%	0.287	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-19.6	177	-62	175.3	-176.9	161	0	113.6	F644 E648 T650 S651 G675 K676 L677	F644-K653 HydrophobicContact CE1-CB 3.87Å; F644-K653 HydrophobicContact CE1-CD 4.22Å; F644-K653 HydrophobicContact CZ-CB 4.28Å; E648-K653 IonicContact OE1-NZ 2.65Å; E648-K653 PolarHBondContact OE1-NZ 3.34Å; T650-K653 PolarHBondContact O-N 3.16Å; S651-K653 PolarHBondContact O-N 3.34Å; K653-G675 WeakPolarHBondContact O-CA 3.5Å; K653-K676 PolarHBondContact O-N 2.66Å; K653-L677 PolarHBondContact O-N 2.94Å; K653-L677 VanDerWaalsContact O-N 3.09Å
654	S	93.1	Very high	87.7	Confident	3 Å²	3	67.2 Å²	67.2	2%	0.021	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.4	-179.4	173.9	0	0	0	0	109.7	K631 E635 T650 L677	K631-S654 WeakPolarHBondContact CE-O 3.43Å; K631-S654 WeakPolarHBondContact CE-OG 3.31Å; K631-S654 PolarHBondContact NZ-O 3.31Å; E635-S654 WeakPolarHBondContact CG-OG 3.45Å; E635-S654 WeakPolarHBondContact OE1-CB 3.39Å; E635-S654 PolarHBondContact OE1-OG 2.84Å; T650-S654 PolarHBondContact O-N 3.47Å; S654-L677 WeakPolarHBondContact CA-O 3.32Å
655	F	93	Very high	87.6	Confident	29 Å²	29	72.7 Å²	72.7	13%	0.127	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	144.1	-177.8	-59.2	-87.4	0	0	0	110.9	G652 E659 L663 A671 L677 F678 A679	G652-F655 WeakPolarHBondContact O-CE2 3.37Å; G652-F655 WeakPolarHBondContact O-CZ 3.49Å; F655-E659 WeakPolarHBondContact CA-OE2 3.29Å; F655-L663 HydrophobicContact CD1-CD1 4.42Å; F655-L663 HydrophobicContact CE1-CD1 4.28Å; F655-A671 HydrophobicContact CD2-CB 4.27Å; F655-A671 HydrophobicContact CE1-CB 4.12Å; F655-A671 HydrophobicContact CE2-CB 3.74Å; F655-A671 HydrophobicContact CZ-CB 3.66Å; F655-L677 PolarHBondContact N-O 3.49Å; F655-F678 HydrophobicContact CB-CD1 3.99Å; F655-F678 HydrophobicContact CB-CE1 4.08Å; F655-F678 AromaticContact CD2-CE1 3.91Å; F655-F678 HydrophobicContact CD2-CE1 3.91Å; F655-F678 HydrophobicContact CD2-CZ 4.27Å; F655-F678 HydrophobicContact CG-CE1 4.31Å; F655-F678 CarbonylContact O-C 3.55Å; F655-F678 VanDerWaalsContact O-CA 3.29Å; F655-F678 WeakPolarHBondContact O-CA 3.49Å; F655-A679 PolarHBondContact O-N 2.9Å
656	T	87.7	Confident	87.7	Confident	27 Å²	27	72.7 Å²	72.7	17%	0.166	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	159	162.3	66.2	0	0	0	0	111	K631 R658 E659 F660 A679	K631-T656 HydrophobicContact CB-CG2 3.96Å; K631-T656 HydrophobicContact CD-CG2 3.85Å; K631-T656 HydrophobicContact CG-CG2 4.31Å; T656-R658 PolarHBondContact O-N 3.05Å; T656-E659 PolarHBondContact N-OE2 3.38Å; T656-E659 PolarHBondContact O-N 3.13Å; T656-E659 WeakPolarHBondContact OG1-CB 3.37Å; T656-E659 WeakPolarHBondContact OG1-CG 3.09Å; T656-E659 PolarHBondContact OG1-N 3.46Å; T656-F660 WeakPolarHBondContact O-CB 3.46Å; T656-F660 PolarHBondContact O-N 2.9Å; T656-A679 CarbonylContact C-O 3.58Å; T656-A679 WeakPolarHBondContact CA-O 3.37Å
657	G	85.4	Confident	88.4	Confident	1 Å²	1	74.6 Å²	74.6	1%	0.01	38%	0.382	C	S	.	.	H	α-helix	trans	-53.7	-39.6	173.6	0	0	0	0	0	112.6	F660 D661 A679 R680	G657-F660 WeakPolarHBondContact O-CB 3.05Å; G657-F660 PolarHBondContact O-N 3.16Å; G657-D661 WeakPolarHBondContact O-CB 3.34Å; G657-D661 PolarHBondContact O-N 3.46Å; G657-A679 PolarHBondContact N-O 3.24Å; G657-R680 WeakPolarHBondContact CA-O 3.26Å; G657-R680 PolarHBondContact N-O 2.69Å
658	R	81.8	Confident	88.9	Confident	165 Å²	165	66 Å²	66	62%	0.623	34%	0.344	S	S	*	.	H	α-helix	trans	-69	-48.3	176.1	-174	177.7	179	169.1	2.3	113.1	T656 F660 D661 D662	T656-R658 PolarHBondContact O-N 3.05Å; R658-F660 PolarHBondContact O-N 2.81Å; R658-D661 PolarHBondContact O-N 3.07Å; R658-D661 VanDerWaalsContact O-N 3.1Å; R658-D662 PolarHBondContact O-N 2.95Å
659	E	88.4	Confident	89.2	Confident	83 Å²	83	66.8 Å²	66.8	39%	0.388	35%	0.347	S	S	.	.	H	α-helix	trans	-56.4	-39.4	174.7	-76.4	168.7	170.6	0	0	110.6	K631 F655 T656 L663	K631-E659 IonicContact NZ-OE1 3.96Å; K631-E659 PolarHBondContact NZ-OE1 2.83Å; K631-E659 IonicContact NZ-OE2 2.76Å; K631-E659 PolarHBondContact NZ-OE2 3.26Å; F655-E659 WeakPolarHBondContact CA-OE2 3.29Å; T656-E659 PolarHBondContact N-OE2 3.38Å; T656-E659 PolarHBondContact O-N 3.13Å; T656-E659 WeakPolarHBondContact OG1-CB 3.37Å; T656-E659 WeakPolarHBondContact OG1-CG 3.09Å; T656-E659 PolarHBondContact OG1-N 3.46Å; E659-L663 WeakPolarHBondContact O-CG 3.45Å
660	F	90.9	Very high	89.4	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-65.6	-45.5	176.3	-174.6	-117.4	0	0	0	111.1	T656 G657 R658 D662 L663 K668 A671 V672 F678 L688 I689 F692	T656-F660 WeakPolarHBondContact O-CB 3.46Å; T656-F660 PolarHBondContact O-N 2.9Å; G657-F660 WeakPolarHBondContact O-CB 3.05Å; G657-F660 PolarHBondContact O-N 3.16Å; R658-F660 PolarHBondContact O-N 2.81Å; F660-D662 VanDerWaalsContact C-N 3.34Å; F660-D662 PolarHBondContact O-N 3.41Å; F660-L663 HydrophobicContact CD2-CD1 4.29Å; F660-L663 WeakPolarHBondContact O-CB 3.49Å; F660-L663 PolarHBondContact O-N 2.7Å; F660-L663 VanDerWaalsContact O-N 3.16Å; F660-K668 HydrophobicContact CD2-CG 4.28Å; F660-K668 HydrophobicContact CE1-CD 4.43Å; F660-K668 HydrophobicContact CE2-CB 3.8Å; F660-K668 HydrophobicContact CE2-CG 3.95Å; F660-K668 HydrophobicContact CZ-CB 3.94Å; F660-K668 HydrophobicContact CZ-CD 4.36Å; F660-K668 HydrophobicContact CZ-CG 4.13Å; F660-K668 WeakPolarHBondContact O-CE 3.38Å; F660-A671 HydrophobicContact CD2-CB 4.27Å; F660-A671 HydrophobicContact CE2-CB 4.17Å; F660-V672 HydrophobicContact CE2-CG2 3.93Å; F660-V672 HydrophobicContact CZ-CG2 3.87Å; F660-F678 HydrophobicContact CD2-CD1 4.47Å; F660-F678 AromaticContact CD2-CE1 3.84Å; F660-F678 HydrophobicContact CD2-CE1 3.84Å; F660-F678 HydrophobicContact CE2-CE1 4.04Å; F660-F678 HydrophobicContact CG-CE1 4.35Å; F660-L688 HydrophobicContact CE1-CD2 3.99Å; F660-I689 HydrophobicContact CE1-CG1 4.39Å; F660-I689 HydrophobicContact CZ-CG1 4.39Å; F660-F692 HydrophobicContact CZ-CD2 4.23Å; F660-F692 HydrophobicContact CZ-CE2 4.06Å
661	D	86.5	Confident	89.7	Confident	74 Å²	74	64.5 Å²	64.5	40%	0.396	34%	0.335	S	S	.	.	H	α-helix	trans	-61.7	-38.6	179.9	-89.5	-23.7	0	0	0	114.6	G657 R658 L663 K668 H685	G657-D661 WeakPolarHBondContact O-CB 3.34Å; G657-D661 PolarHBondContact O-N 3.46Å; R658-D661 PolarHBondContact O-N 3.07Å; R658-D661 VanDerWaalsContact O-N 3.1Å; D661-L663 PolarHBondContact O-N 2.88Å; D661-K668 WeakPolarHBondContact O-CE 3.29Å; D661-K668 PolarHBondContact O-NZ 3.26Å; D661-K668 IonicContact OD1-NZ 2.95Å; D661-K668 PolarHBondContact OD1-NZ 3.01Å; D661-H685 VanDerWaalsContact CG-NE2 3.35Å; D661-H685 IonicContact OD1-CD2 3.56Å; D661-H685 IonicContact OD1-NE2 3.71Å; D661-H685 PolarHBondContact OD1-NE2 2.98Å; D661-H685 IonicContact OD2-CE1 3.09Å; D661-H685 PolarHBondContact OD2-CE1 3.16Å; D661-H685 IonicContact OD2-NE2 2.78Å; D661-H685 PolarHBondContact OD2-NE2 3Å
662	D	89.1	Confident	90.2	Very high	128 Å²	128	60.4 Å²	60.4	68%	0.684	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-13.3	179.2	-68.6	-24.8	0	0	0	112.4	R658 F660	R658-D662 PolarHBondContact O-N 2.95Å; F660-D662 VanDerWaalsContact C-N 3.34Å; F660-D662 PolarHBondContact O-N 3.41Å
663	L	90.8	Very high	90.4	Very high	46 Å²	46	63.7 Å²	63.7	24%	0.241	31%	0.305	C	S	.	.	S	Bend	trans	-74.3	142.7	174.8	-63	172.5	0	0	0	111.9	F655 E659 F660 D661 K667 K668 A671	F655-L663 HydrophobicContact CD1-CD1 4.42Å; F655-L663 HydrophobicContact CE1-CD1 4.28Å; E659-L663 WeakPolarHBondContact O-CG 3.45Å; F660-L663 HydrophobicContact CD2-CD1 4.29Å; F660-L663 WeakPolarHBondContact O-CB 3.49Å; F660-L663 PolarHBondContact O-N 2.7Å; F660-L663 VanDerWaalsContact O-N 3.16Å; D661-L663 PolarHBondContact O-N 2.88Å; L663-K667 HydrophobicContact CB-CB 4.08Å; L663-K667 HydrophobicContact CD2-CB 4.17Å; L663-K667 HydrophobicContact CD2-CD 4.31Å; L663-K668 HydrophobicContact CB-CG 3.77Å; L663-K668 VanDerWaalsContact O-CE 3.23Å; L663-K668 WeakPolarHBondContact O-CE 3.45Å; L663-A671 HydrophobicContact CD1-CB 3.86Å
664	S	92.1	Very high	90.3	Very high	66 Å²	66	65.3 Å²	65.3	46%	0.462	32%	0.317	S	S	.	.			trans	-60.3	154.3	165.3	59.2	0	0	0	0	111.4	E666 K667 K668	S664-E666 VanDerWaalsContact C-N 3.34Å; S664-E666 PolarHBondContact O-N 3.09Å; S664-K667 CarbonylContact O-C 3.35Å; S664-K667 WeakPolarHBondContact O-CA 3.4Å; S664-K667 PolarHBondContact O-N 3.3Å; S664-K667 WeakPolarHBondContact OG-CB 3.47Å; S664-K667 WeakPolarHBondContact OG-CG 3.25Å; S664-K668 PolarHBondContact O-N 3.38Å
665	L	89.9	Confident	90.2	Very high	116 Å²	116	65.2 Å²	65.2	61%	0.607	32%	0.316	S	S	*	.	H	α-helix	trans	-51.3	-44.7	-177	-162.3	79.7	0	0	0	114.4	K668 K669 F692	L665-K668 WeakPolarHBondContact O-CB 3.39Å; L665-K668 PolarHBondContact O-N 3.43Å; L665-K669 PolarHBondContact O-N 3.41Å; L665-K669 VanDerWaalsContact O-N 3.16Å; L665-F692 HydrophobicContact CD1-CE1 4.41Å; L665-F692 HydrophobicContact CD1-CZ 4.01Å
666	E	89.6	Confident	90.3	Very high	135 Å²	135	66.3 Å²	66.3	63%	0.631	32%	0.321	S	S	*	.	H	α-helix	trans	-60.9	-48.4	176	-75.6	-73.2	133.4	0	0	111.8	S664 K668 K669 D670	S664-E666 VanDerWaalsContact C-N 3.34Å; S664-E666 PolarHBondContact O-N 3.09Å; E666-K668 VanDerWaalsContact C-N 3.28Å; E666-K668 PolarHBondContact O-N 2.96Å; E666-K669 WeakPolarHBondContact O-CB 3.31Å; E666-K669 PolarHBondContact O-N 3.42Å; E666-K669 VanDerWaalsContact O-N 3.12Å; E666-D670 PolarHBondContact O-N 3.08Å; E666-D670 VanDerWaalsContact O-N 3.08Å
667	K	92.2	Very high	90.6	Very high	130 Å²	130	65 Å²	65	57%	0.565	31%	0.313	S	S	*	.	H	α-helix	trans	-64.6	-29.7	176	-69	-175.5	179	-177.6	0	113	L663 S664 D670 A671	L663-K667 HydrophobicContact CB-CB 4.08Å; L663-K667 HydrophobicContact CD2-CB 4.17Å; L663-K667 HydrophobicContact CD2-CD 4.31Å; S664-K667 CarbonylContact O-C 3.35Å; S664-K667 WeakPolarHBondContact O-CA 3.4Å; S664-K667 PolarHBondContact O-N 3.3Å; S664-K667 WeakPolarHBondContact OG-CB 3.47Å; S664-K667 WeakPolarHBondContact OG-CG 3.25Å; K667-D670 PolarHBondContact O-N 3.46Å; K667-A671 VanDerWaalsContact O-CB 3.24Å; K667-A671 WeakPolarHBondContact O-CB 3.45Å; K667-A671 PolarHBondContact O-N 3.17Å
668	K	92.3	Very high	91	Very high	28 Å²	28	65 Å²	65	12%	0.122	31%	0.312	C	S	.	.	H	α-helix	trans	-63.2	-43.8	172	-73.4	-176.3	170.7	179.8	0	110.7	F660 D661 L663 S664 L665 E666 A671 V672 F692	F660-K668 HydrophobicContact CD2-CG 4.28Å; F660-K668 HydrophobicContact CE1-CD 4.43Å; F660-K668 HydrophobicContact CE2-CB 3.8Å; F660-K668 HydrophobicContact CE2-CG 3.95Å; F660-K668 HydrophobicContact CZ-CB 3.94Å; F660-K668 HydrophobicContact CZ-CD 4.36Å; F660-K668 HydrophobicContact CZ-CG 4.13Å; F660-K668 WeakPolarHBondContact O-CE 3.38Å; D661-K668 WeakPolarHBondContact O-CE 3.29Å; D661-K668 PolarHBondContact O-NZ 3.26Å; D661-K668 IonicContact OD1-NZ 2.95Å; D661-K668 PolarHBondContact OD1-NZ 3.01Å; L663-K668 HydrophobicContact CB-CG 3.77Å; L663-K668 VanDerWaalsContact O-CE 3.23Å; L663-K668 WeakPolarHBondContact O-CE 3.45Å; S664-K668 PolarHBondContact O-N 3.38Å; L665-K668 WeakPolarHBondContact O-CB 3.39Å; L665-K668 PolarHBondContact O-N 3.43Å; E666-K668 VanDerWaalsContact C-N 3.28Å; E666-K668 PolarHBondContact O-N 2.96Å; K668-A671 WeakPolarHBondContact O-CB 3.37Å; K668-A671 PolarHBondContact O-N 3.28Å; K668-V672 WeakPolarHBondContact O-CG2 3.48Å; K668-V672 PolarHBondContact O-N 2.88Å; K668-F692 HydrophobicContact CB-CE2 3.75Å; K668-F692 HydrophobicContact CB-CZ 4.2Å; K668-F692 HydrophobicContact CD-CE2 4.49Å
669	K	92	Very high	91.3	Very high	50 Å²	50	57.1 Å²	57.1	22%	0.217	28%	0.283	C	S	.	.	H	α-helix	trans	-60.8	-48	175.2	-70.4	-175.5	173.8	-167.2	0	111.7	L665 E666 A671 V672 R673 F692	L665-K669 PolarHBondContact O-N 3.41Å; L665-K669 VanDerWaalsContact O-N 3.16Å; E666-K669 WeakPolarHBondContact O-CB 3.31Å; E666-K669 PolarHBondContact O-N 3.42Å; E666-K669 VanDerWaalsContact O-N 3.12Å; K669-A671 VanDerWaalsContact C-N 3.29Å; K669-A671 PolarHBondContact O-N 3.29Å; K669-V672 PolarHBondContact O-N 3.34Å; K669-V672 VanDerWaalsContact O-N 3.11Å; K669-R673 PolarHBondContact O-N 3.12Å; K669-F692 HydrophobicContact CD-CD1 4.37Å; K669-F692 HydrophobicContact CG-CD1 3.65Å; K669-F692 HydrophobicContact CG-CE1 3.87Å; K669-F692 HydrophobicContact CG-CG 4.07Å; K669-F692 HydrophobicContact CG-CZ 4.45Å
670	D	91.9	Very high	91	Very high	72 Å²	72	58.9 Å²	58.9	39%	0.385	29%	0.286	S	S	.	.	H	α-helix	trans	-64.2	-34	177.6	-75.8	-18.1	0	0	0	112.9	E666 K667 R673 N674	E666-D670 PolarHBondContact O-N 3.08Å; E666-D670 VanDerWaalsContact O-N 3.08Å; K667-D670 PolarHBondContact O-N 3.46Å; D670-R673 PolarHBondContact O-N 3.27Å; D670-R673 IonicContact OD1-NH1 2.88Å; D670-R673 PolarHBondContact OD1-NH1 3.16Å; D670-N674 PolarHBondContact O-N 2.86Å; D670-N674 VanDerWaalsContact O-N 3.1Å; D670-N674 PolarHBondContact O-ND2 3.17Å
671	A	93.2	Very high	90.7	Very high	5 Å²	5	59.2 Å²	59.2	4%	0.041	29%	0.288	C	S	.	.	H	α-helix	trans	-65.1	-37.6	173.3	0	0	0	0	0	111.8	F655 F660 L663 K667 K668 K669 G675	F655-A671 HydrophobicContact CD2-CB 4.27Å; F655-A671 HydrophobicContact CE1-CB 4.12Å; F655-A671 HydrophobicContact CE2-CB 3.74Å; F655-A671 HydrophobicContact CZ-CB 3.66Å; F660-A671 HydrophobicContact CD2-CB 4.27Å; F660-A671 HydrophobicContact CE2-CB 4.17Å; L663-A671 HydrophobicContact CD1-CB 3.86Å; K667-A671 VanDerWaalsContact O-CB 3.24Å; K667-A671 WeakPolarHBondContact O-CB 3.45Å; K667-A671 PolarHBondContact O-N 3.17Å; K668-A671 WeakPolarHBondContact O-CB 3.37Å; K668-A671 PolarHBondContact O-N 3.28Å; K669-A671 VanDerWaalsContact C-N 3.29Å; K669-A671 PolarHBondContact O-N 3.29Å; A671-G675 WeakPolarHBondContact O-CA 3.41Å; A671-G675 PolarHBondContact O-N 3.05Å
672	V	94.2	Very high	90.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-71.4	-36.4	174	173.1	0	0	0	0	112	F660 K668 K669 N674 F678 I689 F692 L693	F660-V672 HydrophobicContact CE2-CG2 3.93Å; F660-V672 HydrophobicContact CZ-CG2 3.87Å; K668-V672 WeakPolarHBondContact O-CG2 3.48Å; K668-V672 PolarHBondContact O-N 2.88Å; K669-V672 PolarHBondContact O-N 3.34Å; K669-V672 VanDerWaalsContact O-N 3.11Å; V672-N674 VanDerWaalsContact C-N 3.31Å; V672-N674 PolarHBondContact O-N 2.9Å; V672-F678 HydrophobicContact CG2-CZ 4.13Å; V672-I689 HydrophobicContact CG1-CG2 4.14Å; V672-I689 HydrophobicContact CG2-CB 4.46Å; V672-I689 HydrophobicContact CG2-CG1 4.17Å; V672-I689 HydrophobicContact CG2-CG2 4.3Å; V672-F692 HydrophobicContact CB-CB 4.23Å; V672-F692 HydrophobicContact CG1-CB 4.12Å; V672-F692 HydrophobicContact CG2-CB 4.26Å; V672-F692 HydrophobicContact CG2-CD2 3.96Å; V672-L693 HydrophobicContact CG1-CD2 3.54Å; V672-L693 HydrophobicContact CG1-CG 3.68Å
673	R	91.6	Very high	89.7	Confident	113 Å²	113	51.1 Å²	51.1	43%	0.426	24%	0.244	S	C	.	.	H	α-helix	trans	-64.2	-32	175.4	-76	178.3	-178.7	165.6	-3.9	113.8	R622 K669 D670 D696	R622-R673 PolarHBondContact NH1-O 2.99Å; K669-R673 PolarHBondContact O-N 3.12Å; D670-R673 PolarHBondContact O-N 3.27Å; D670-R673 IonicContact OD1-NH1 2.88Å; D670-R673 PolarHBondContact OD1-NH1 3.16Å; R673-D696 WeakPolarHBondContact CD-OD2 3.38Å; R673-D696 WeakPolarHBondContact CG-OD2 3.3Å; R673-D696 IonicContact CZ-OD1 2.73Å; R673-D696 IonicContact CZ-OD2 3.66Å; R673-D696 VanDerWaalsContact NE-CG 3.33Å; R673-D696 IonicContact NE-OD1 2.82Å; R673-D696 PolarHBondContact NE-OD1 2.85Å; R673-D696 IonicContact NE-OD2 2.68Å; R673-D696 PolarHBondContact NE-OD2 2.98Å; R673-D696 IonicContact NH2-OD1 2.72Å; R673-D696 PolarHBondContact NH2-OD1 3.42Å; R673-D696 IonicContact NH2-OD2 2.83Å
674	N	90.8	Very high	89.3	Confident	101 Å²	101	51.1 Å²	51.1	54%	0.54	25%	0.251	S	S	.	.	H	α-helix	trans	-109.9	-17.5	-176.2	-62.3	-58.8	0	0	0	113.4	D670 V672	D670-N674 PolarHBondContact O-N 2.86Å; D670-N674 VanDerWaalsContact O-N 3.1Å; D670-N674 PolarHBondContact O-ND2 3.17Å; V672-N674 VanDerWaalsContact C-N 3.31Å; V672-N674 PolarHBondContact O-N 2.9Å
675	G	91.8	Very high	89.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.231	C	C	.	.			trans	-65.7	136.6	-177.2	0	0	0	0	0	112.5	K653 A671	K653-G675 WeakPolarHBondContact O-CA 3.5Å; A671-G675 WeakPolarHBondContact O-CA 3.41Å; A671-G675 PolarHBondContact O-N 3.05Å
676	K	94.3	Very high	89.1	Confident	53 Å²	53	43.1 Å²	43.1	23%	0.23	20%	0.203	C	C	.	.	S	Bend	trans	-113.2	-20.3	169.5	-64.7	-175.3	-175.9	171.7	0	112.1	I624 V625 L643 F644 E648 K653	I624-K676 CarbonylContact C-O 3.41Å; I624-K676 WeakPolarHBondContact CA-O 3.5Å; V625-K676 PolarHBondContact N-O 3.32Å; L643-K676 HydrophobicContact CD2-CB 4.1Å; L643-K676 WeakPolarHBondContact CD2-O 3.39Å; L643-K676 HydrophobicContact CG-CB 4.29Å; L643-K676 HydrophobicContact CG-CD 4.29Å; L643-K676 PolarHBondContact O-NZ 3.09Å; L643-K676 VanDerWaalsContact O-NZ 3.08Å; F644-K676 HydrophobicContact CD1-CD 3.96Å; F644-K676 HydrophobicContact CE1-CB 3.84Å; F644-K676 HydrophobicContact CE1-CD 3.64Å; F644-K676 HydrophobicContact CE1-CG 4.23Å; F644-K676 HydrophobicContact CZ-CB 3.74Å; F644-K676 HydrophobicContact CZ-CD 4.35Å; E648-K676 IonicContact OE1-NZ 3.88Å; E648-K676 PolarHBondContact OE1-NZ 3.48Å; E648-K676 VanDerWaalsContact OE1-NZ 3.13Å; E648-K676 IonicContact OE2-NZ 3.4Å; K653-K676 PolarHBondContact O-N 2.66Å
677	L	94.7	Very high	89.1	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	128.5	-176.9	172.1	59.9	0	0	0	111.6	V625 T627 A634 E635 F644 K653 S654 F655	V625-L677 HydrophobicContact CB-CD1 3.96Å; V625-L677 HydrophobicContact CG1-CD1 3.88Å; V625-L677 CarbonylContact O-C 3.59Å; V625-L677 WeakPolarHBondContact O-CA 3.46Å; T627-L677 HydrophobicContact CG2-CD1 4.26Å; A634-L677 HydrophobicContact CB-CD1 3.74Å; A634-L677 HydrophobicContact CB-CD2 3.79Å; A634-L677 HydrophobicContact CB-CG 4.31Å; E635-L677 HydrophobicContact CB-CD2 4.24Å; E635-L677 HydrophobicContact CG-CD2 3.53Å; F644-L677 HydrophobicContact CE2-CB 3.94Å; F644-L677 HydrophobicContact CE2-CD2 4.16Å; F644-L677 HydrophobicContact CZ-CB 4.04Å; K653-L677 PolarHBondContact O-N 2.94Å; K653-L677 VanDerWaalsContact O-N 3.09Å; S654-L677 WeakPolarHBondContact CA-O 3.32Å; F655-L677 PolarHBondContact N-O 3.49Å
678	F	93.6	Very high	89.1	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	116	169.5	-64.5	-89.4	0	0	0	109.1	I624 V625 I626 T627 F655 F660 V672 V681 I689	I624-F678 HydrophobicContact CG2-CD2 3.66Å; I624-F678 HydrophobicContact CG2-CE2 3.76Å; V625-F678 PolarHBondContact O-N 3.25Å; I626-F678 CarbonylContact C-O 3.57Å; I626-F678 WeakPolarHBondContact CA-O 3.48Å; T627-F678 PolarHBondContact N-O 3.21Å; F655-F678 HydrophobicContact CB-CD1 3.99Å; F655-F678 HydrophobicContact CB-CE1 4.08Å; F655-F678 AromaticContact CD2-CE1 3.91Å; F655-F678 HydrophobicContact CD2-CE1 3.91Å; F655-F678 HydrophobicContact CD2-CZ 4.27Å; F655-F678 HydrophobicContact CG-CE1 4.31Å; F655-F678 CarbonylContact O-C 3.55Å; F655-F678 VanDerWaalsContact O-CA 3.29Å; F655-F678 WeakPolarHBondContact O-CA 3.49Å; F660-F678 HydrophobicContact CD2-CD1 4.47Å; F660-F678 AromaticContact CD2-CE1 3.84Å; F660-F678 HydrophobicContact CD2-CE1 3.84Å; F660-F678 HydrophobicContact CE2-CE1 4.04Å; F660-F678 HydrophobicContact CG-CE1 4.35Å; V672-F678 HydrophobicContact CG2-CZ 4.13Å; F678-V681 HydrophobicContact CB-CG1 3.96Å; F678-V681 HydrophobicContact CB-CG2 4.38Å; F678-V681 WeakPolarHBondContact O-CG2 3.44Å; F678-I689 HydrophobicContact CB-CD1 4.04Å; F678-I689 HydrophobicContact CD1-CD1 3.93Å; F678-I689 HydrophobicContact CD2-CD1 3.81Å; F678-I689 HydrophobicContact CE1-CD1 4.36Å; F678-I689 HydrophobicContact CE2-CD1 4.25Å; F678-I689 HydrophobicContact CG-CD1 3.64Å
679	A	87.3	Confident	89.1	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	158.1	-176.5	0	0	0	0	0	111.2	T627 D629 K631 A634 F655 T656 G657 V681	T627-A679 HydrophobicContact CG2-CB 4.35Å; T627-A679 CarbonylContact O-C 3.52Å; T627-A679 VanDerWaalsContact O-C 3.28Å; T627-A679 WeakPolarHBondContact O-CA 3.43Å; D629-A679 WeakPolarHBondContact O-CB 2.77Å; K631-A679 HydrophobicContact CB-CB 4.13Å; K631-A679 HydrophobicContact CG-CB 4.47Å; A634-A679 HydrophobicContact CB-CB 4.17Å; F655-A679 PolarHBondContact O-N 2.9Å; T656-A679 CarbonylContact C-O 3.58Å; T656-A679 WeakPolarHBondContact CA-O 3.37Å; G657-A679 PolarHBondContact N-O 3.24Å; A679-V681 VanDerWaalsContact C-N 3.27Å; A679-V681 PolarHBondContact O-N 3.07Å
680	R	82.7	Confident	89.2	Confident	120 Å²	120	29.4 Å²	29.4	45%	0.453	15%	0.145	S	C	.	.	S	Bend	trans	44.9	51.1	-175	-64.7	-139.1	175.7	-176.7	1.4	113.5	T627 D629 G657	T627-R680 PolarHBondContact O-N 3.23Å; D629-R680 WeakPolarHBondContact O-CG 3.38Å; D629-R680 PolarHBondContact O-N 3.03Å; G657-R680 WeakPolarHBondContact CA-O 3.26Å; G657-R680 PolarHBondContact N-O 2.69Å
681	V	83.4	Confident	89.2	Confident	6 Å²	6	29.1 Å²	29.1	4%	0.036	14%	0.141	C	C	.	.			trans	-96.3	144.8	-176.4	-99.5	0	0	0	0	111.5	I626 T627 F678 A679 H685	I626-V681 HydrophobicContact CG2-CB 4.35Å; I626-V681 HydrophobicContact CG2-CG2 3.57Å; T627-V681 WeakPolarHBondContact O-CG2 3.45Å; T627-V681 PolarHBondContact O-N 3.11Å; F678-V681 HydrophobicContact CB-CG1 3.96Å; F678-V681 HydrophobicContact CB-CG2 4.38Å; F678-V681 WeakPolarHBondContact O-CG2 3.44Å; A679-V681 VanDerWaalsContact C-N 3.27Å; A679-V681 PolarHBondContact O-N 3.07Å; V681-H685 HydrophobicContact CB-CB 4.04Å; V681-H685 HydrophobicContact CG1-CB 3.57Å
682	E	77.9	Confident	89.3	Confident	22 Å²	22	29.2 Å²	29.2	10%	0.103	14%	0.141	C	C	.	.			trans	-87.9	160.7	174.2	-74.8	-73.3	-173.6	0	0	111.1	V201 N202 A684 H685 K686	V201-E682 VanDerWaalsContact C-OE1 3.24Å; V201-E682 WeakPolarHBondContact CA-OE1 3.42Å; V201-E682 HydrophobicContact CB-CG 4.29Å; V201-E682 WeakPolarHBondContact CB-OE1 3.34Å; V201-E682 HydrophobicContact CG1-CG 3.78Å; V201-E682 VanDerWaalsContact CG1-OE1 3.24Å; V201-E682 WeakPolarHBondContact CG1-OE1 3.47Å; N202-E682 PolarHBondContact N-OE1 3.08Å; E682-A684 PolarHBondContact O-N 3.32Å; E682-H685 PolarHBondContact N-ND1 3.15Å; E682-H685 VanDerWaalsContact N-ND1 3.2Å; E682-H685 WeakPolarHBondContact O-CB 3.2Å; E682-H685 PolarHBondContact O-N 3.11Å; E682-K686 PolarHBondContact O-N 2.91Å
683	P	77.9	Confident	89.2	Confident	11 Å²	11	29.2 Å²	29.2	7%	0.071	14%	0.141	C	C	.	.	H	α-helix	trans	-49.5	-42.9	173.7	-24.2	31.1	0	0	0	112.6	I236 H685 K686 S687 N708	I236-P683 HydrophobicContact CD1-CG 4.48Å; P683-H685 VanDerWaalsContact C-N 3.31Å; P683-H685 PolarHBondContact O-N 3.14Å; P683-K686 WeakPolarHBondContact O-CB 3.31Å; P683-K686 PolarHBondContact O-N 2.87Å; P683-S687 PolarHBondContact O-N 3.1Å; P683-N708 HydrophobicContact CB-CB 4.31Å; P683-N708 WeakPolarHBondContact CB-O 3.41Å; P683-N708 HydrophobicContact CG-CB 3.84Å
684	A	82.6	Confident	89.1	Confident	46 Å²	46	25.8 Å²	25.8	38%	0.38	13%	0.13	S	C	.	.	H	α-helix	trans	-63.7	-33.2	178.7	0	0	0	0	0	113	E682 S687 L688	E682-A684 PolarHBondContact O-N 3.32Å; A684-S687 PolarHBondContact O-N 2.85Å; A684-L688 WeakPolarHBondContact O-CB 3.09Å; A684-L688 PolarHBondContact O-N 2.85Å
685	H	87.7	Confident	89.1	Confident	11 Å²	11	25.7 Å²	25.7	5%	0.051	13%	0.126	C	C	.	.	H	α-helix	trans	-67	-39	176.6	-61.7	157	0	0	0	111.6	D661 V681 E682 P683 S687 L688 I689	D661-H685 VanDerWaalsContact CG-NE2 3.35Å; D661-H685 IonicContact OD1-CD2 3.56Å; D661-H685 IonicContact OD1-NE2 3.71Å; D661-H685 PolarHBondContact OD1-NE2 2.98Å; D661-H685 IonicContact OD2-CE1 3.09Å; D661-H685 PolarHBondContact OD2-CE1 3.16Å; D661-H685 IonicContact OD2-NE2 2.78Å; D661-H685 PolarHBondContact OD2-NE2 3Å; V681-H685 HydrophobicContact CB-CB 4.04Å; V681-H685 HydrophobicContact CG1-CB 3.57Å; E682-H685 PolarHBondContact N-ND1 3.15Å; E682-H685 VanDerWaalsContact N-ND1 3.2Å; E682-H685 WeakPolarHBondContact O-CB 3.2Å; E682-H685 PolarHBondContact O-N 3.11Å; P683-H685 VanDerWaalsContact C-N 3.31Å; P683-H685 PolarHBondContact O-N 3.14Å; H685-S687 VanDerWaalsContact C-N 3.34Å; H685-S687 PolarHBondContact O-N 3.18Å; H685-L688 PolarHBondContact O-N 2.74Å; H685-I689 VanDerWaalsContact O-CG1 3.24Å; H685-I689 WeakPolarHBondContact O-CG1 3.32Å; H685-I689 PolarHBondContact O-N 3.26Å
686	K	90.3	Very high	89	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.009	14%	0.139	C	C	.	.	H	α-helix	trans	-58.8	-48.9	178	-54.5	-162.9	165.3	-165.2	0	110.5	D352 I626 E682 P683 L688 I689 V690 M702 D709 A712	D352-K686 IonicContact OD1-NZ 2.85Å; D352-K686 PolarHBondContact OD1-NZ 3.19Å; I626-K686 HydrophobicContact CG2-CD 4.14Å; I626-K686 HydrophobicContact CG2-CG 3.8Å; E682-K686 PolarHBondContact O-N 2.91Å; P683-K686 WeakPolarHBondContact O-CB 3.31Å; P683-K686 PolarHBondContact O-N 2.87Å; K686-L688 PolarHBondContact O-N 2.92Å; K686-I689 PolarHBondContact O-N 3.1Å; K686-V690 WeakPolarHBondContact O-CG2 3.31Å; K686-V690 PolarHBondContact O-N 2.86Å; K686-M702 HydrophobicContact CB-CE 4.01Å; K686-M702 HydrophobicContact CD-CE 3.7Å; K686-M702 HydrophobicContact CG-CE 4.26Å; K686-D709 WeakPolarHBondContact CD-OD1 3.28Å; K686-D709 WeakPolarHBondContact CE-OD1 3.37Å; K686-D709 IonicContact NZ-OD1 3.1Å; K686-D709 PolarHBondContact NZ-OD1 3.31Å; K686-D709 IonicContact NZ-OD2 3.02Å; K686-A712 HydrophobicContact CB-CB 3.53Å
687	S	89.1	Confident	88.7	Confident	16 Å²	16	27.6 Å²	27.6	11%	0.112	15%	0.149	C	C	.	.	H	α-helix	trans	-60.4	-42.2	174.8	162.4	0	0	0	0	112.9	P683 A684 H685 V690 Q691	P683-S687 PolarHBondContact O-N 3.1Å; A684-S687 PolarHBondContact O-N 2.85Å; H685-S687 VanDerWaalsContact C-N 3.34Å; H685-S687 PolarHBondContact O-N 3.18Å; S687-V690 PolarHBondContact O-N 3.49Å; S687-Q691 WeakPolarHBondContact O-CB 3.2Å; S687-Q691 PolarHBondContact O-N 2.88Å
688	L	91.2	Very high	88.6	Confident	40 Å²	40	30.7 Å²	30.7	21%	0.209	16%	0.163	C	C	.	.	H	α-helix	trans	-68.3	-38.6	-179.6	-173.6	63.4	0	0	0	112.7	F660 A684 H685 K686 Q691 F692	F660-L688 HydrophobicContact CE1-CD2 3.99Å; A684-L688 WeakPolarHBondContact O-CB 3.09Å; A684-L688 PolarHBondContact O-N 2.85Å; H685-L688 PolarHBondContact O-N 2.74Å; K686-L688 PolarHBondContact O-N 2.92Å; L688-Q691 PolarHBondContact O-N 2.96Å; L688-F692 HydrophobicContact CD1-CD2 4.45Å; L688-F692 HydrophobicContact CD1-CE1 4.31Å; L688-F692 HydrophobicContact CD1-CE2 3.81Å; L688-F692 HydrophobicContact CD1-CZ 3.73Å; L688-F692 HydrophobicContact CD2-CE2 4Å; L688-F692 HydrophobicContact CD2-CZ 4.41Å; L688-F692 HydrophobicContact CG-CD2 4.13Å; L688-F692 HydrophobicContact CG-CE2 3.59Å; L688-F692 HydrophobicContact CG-CZ 4.04Å; L688-F692 WeakPolarHBondContact O-CD2 3.44Å; L688-F692 PolarHBondContact O-N 3.42Å
689	I	94.1	Very high	88.6	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.2	-49.2	174.9	-69.9	162.7	0	0	0	109.7	I626 F660 V672 F678 H685 K686 Q691 F692 L693	I626-I689 HydrophobicContact CD1-CB 4.5Å; I626-I689 HydrophobicContact CD1-CD1 3.97Å; I626-I689 HydrophobicContact CD1-CG2 4.12Å; I626-I689 HydrophobicContact CG1-CD1 4.47Å; F660-I689 HydrophobicContact CE1-CG1 4.39Å; F660-I689 HydrophobicContact CZ-CG1 4.39Å; V672-I689 HydrophobicContact CG1-CG2 4.14Å; V672-I689 HydrophobicContact CG2-CB 4.46Å; V672-I689 HydrophobicContact CG2-CG1 4.17Å; V672-I689 HydrophobicContact CG2-CG2 4.3Å; F678-I689 HydrophobicContact CB-CD1 4.04Å; F678-I689 HydrophobicContact CD1-CD1 3.93Å; F678-I689 HydrophobicContact CD2-CD1 3.81Å; F678-I689 HydrophobicContact CE1-CD1 4.36Å; F678-I689 HydrophobicContact CE2-CD1 4.25Å; F678-I689 HydrophobicContact CG-CD1 3.64Å; H685-I689 VanDerWaalsContact O-CG1 3.24Å; H685-I689 WeakPolarHBondContact O-CG1 3.32Å; H685-I689 PolarHBondContact O-N 3.26Å; K686-I689 PolarHBondContact O-N 3.1Å; I689-Q691 VanDerWaalsContact C-N 3.33Å; I689-Q691 PolarHBondContact O-N 3.42Å; I689-F692 PolarHBondContact O-N 2.87Å; I689-L693 HydrophobicContact CG2-CD1 4.3Å; I689-L693 WeakPolarHBondContact O-CG 3.29Å; I689-L693 PolarHBondContact O-N 3.07Å; I689-L693 VanDerWaalsContact O-N 3.12Å
690	V	93.5	Very high	88.9	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-55.5	-50.3	175.1	170.4	0	0	0	0	110	K686 S687 F692 L693 Q694 M702 K715 A716	K686-V690 WeakPolarHBondContact O-CG2 3.31Å; K686-V690 PolarHBondContact O-N 2.86Å; S687-V690 PolarHBondContact O-N 3.49Å; V690-F692 VanDerWaalsContact C-N 3.29Å; V690-F692 PolarHBondContact O-N 3.37Å; V690-L693 WeakPolarHBondContact O-CB 3.17Å; V690-L693 PolarHBondContact O-N 3.43Å; V690-Q694 HydrophobicContact CG1-CG 4.28Å; V690-Q694 VanDerWaalsContact O-CG 3.31Å; V690-Q694 WeakPolarHBondContact O-CG 3.5Å; V690-Q694 PolarHBondContact O-N 2.87Å; V690-M702 HydrophobicContact CG2-CB 4.37Å; V690-M702 HydrophobicContact CG2-SD 4.39Å; V690-K715 HydrophobicContact CG1-CB 4.31Å; V690-K715 HydrophobicContact CG1-CG 4.17Å; V690-A716 HydrophobicContact CG1-CB 4.01Å; V690-A716 HydrophobicContact CG2-CB 4.45Å
691	Q	91.6	Very high	89.5	Confident	66 Å²	66	25.6 Å²	25.6	31%	0.308	15%	0.145	S	C	.	.	H	α-helix	trans	-55.9	-39.7	179.6	-174	176	25.4	0	0	113.5	S687 L688 I689 Q694 Q695	S687-Q691 WeakPolarHBondContact O-CB 3.2Å; S687-Q691 PolarHBondContact O-N 2.88Å; L688-Q691 PolarHBondContact O-N 2.96Å; I689-Q691 VanDerWaalsContact C-N 3.33Å; I689-Q691 PolarHBondContact O-N 3.42Å; Q691-Q694 PolarHBondContact O-N 3.41Å; Q691-Q695 WeakPolarHBondContact O-CG 3.44Å; Q691-Q695 PolarHBondContact O-N 3.28Å; Q691-Q695 VanDerWaalsContact O-N 3.1Å
692	F	94.2	Very high	90	Very high	6 Å²	6	25.3 Å²	25.3	3%	0.026	14%	0.143	C	C	.	.	H	α-helix	trans	-70.4	-35.1	177	-69.7	-39.6	0	0	0	112.9	F660 L665 K668 K669 V672 L688 I689 V690 Q695 D696	F660-F692 HydrophobicContact CZ-CD2 4.23Å; F660-F692 HydrophobicContact CZ-CE2 4.06Å; L665-F692 HydrophobicContact CD1-CE1 4.41Å; L665-F692 HydrophobicContact CD1-CZ 4.01Å; K668-F692 HydrophobicContact CB-CE2 3.75Å; K668-F692 HydrophobicContact CB-CZ 4.2Å; K668-F692 HydrophobicContact CD-CE2 4.49Å; K669-F692 HydrophobicContact CD-CD1 4.37Å; K669-F692 HydrophobicContact CG-CD1 3.65Å; K669-F692 HydrophobicContact CG-CE1 3.87Å; K669-F692 HydrophobicContact CG-CG 4.07Å; K669-F692 HydrophobicContact CG-CZ 4.45Å; V672-F692 HydrophobicContact CB-CB 4.23Å; V672-F692 HydrophobicContact CG1-CB 4.12Å; V672-F692 HydrophobicContact CG2-CB 4.26Å; V672-F692 HydrophobicContact CG2-CD2 3.96Å; L688-F692 HydrophobicContact CD1-CD2 4.45Å; L688-F692 HydrophobicContact CD1-CE1 4.31Å; L688-F692 HydrophobicContact CD1-CE2 3.81Å; L688-F692 HydrophobicContact CD1-CZ 3.73Å; L688-F692 HydrophobicContact CD2-CE2 4Å; L688-F692 HydrophobicContact CD2-CZ 4.41Å; L688-F692 HydrophobicContact CG-CD2 4.13Å; L688-F692 HydrophobicContact CG-CE2 3.59Å; L688-F692 HydrophobicContact CG-CZ 4.04Å; L688-F692 WeakPolarHBondContact O-CD2 3.44Å; L688-F692 PolarHBondContact O-N 3.42Å; I689-F692 PolarHBondContact O-N 2.87Å; V690-F692 VanDerWaalsContact C-N 3.29Å; V690-F692 PolarHBondContact O-N 3.37Å; F692-Q695 PolarHBondContact O-N 3.2Å; F692-D696 PolarHBondContact O-N 3.08Å
693	L	93.9	Very high	90.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.5	-44.1	172.7	-65.9	171.4	0	0	0	111.3	V348 C350 I624 V672 I689 V690 Q695 D696 G697 E698	V348-L693 HydrophobicContact CB-CD1 4.36Å; V348-L693 HydrophobicContact CG1-CD1 3.9Å; V348-L693 HydrophobicContact CG1-CD2 4.38Å; V348-L693 HydrophobicContact CG2-CD2 4.28Å; C350-L693 WeakPolarHBondContact SG-CD1 3.33Å; I624-L693 HydrophobicContact CD1-CD1 4.4Å; I624-L693 HydrophobicContact CD1-CD2 4.42Å; V672-L693 HydrophobicContact CG1-CD2 3.54Å; V672-L693 HydrophobicContact CG1-CG 3.68Å; I689-L693 HydrophobicContact CG2-CD1 4.3Å; I689-L693 WeakPolarHBondContact O-CG 3.29Å; I689-L693 PolarHBondContact O-N 3.07Å; I689-L693 VanDerWaalsContact O-N 3.12Å; V690-L693 WeakPolarHBondContact O-CB 3.17Å; V690-L693 PolarHBondContact O-N 3.43Å; L693-Q695 VanDerWaalsContact C-N 3.33Å; L693-Q695 PolarHBondContact O-N 3.33Å; L693-D696 PolarHBondContact O-N 3.04Å; L693-D696 VanDerWaalsContact O-N 3.11Å; L693-G697 PolarHBondContact O-N 2.88Å; L693-E698 HydrophobicContact CB-CB 4.28Å; L693-E698 WeakPolarHBondContact O-CB 3.41Å; L693-E698 PolarHBondContact O-N 3.47Å; L693-E698 VanDerWaalsContact O-N 3.12Å
694	Q	89.9	Confident	91.2	Very high	41 Å²	41	23.8 Å²	23.8	19%	0.192	14%	0.135	C	C	.	.	H	α-helix	trans	-60.8	-42	177.4	-62.9	-177.4	-55.5	0	0	112	V690 Q691 D696 G697 K715 E717	V690-Q694 HydrophobicContact CG1-CG 4.28Å; V690-Q694 VanDerWaalsContact O-CG 3.31Å; V690-Q694 WeakPolarHBondContact O-CG 3.5Å; V690-Q694 PolarHBondContact O-N 2.87Å; Q691-Q694 PolarHBondContact O-N 3.41Å; Q694-D696 PolarHBondContact O-N 2.84Å; Q694-G697 WeakPolarHBondContact O-CA 3.17Å; Q694-G697 PolarHBondContact O-N 3.28Å; Q694-K715 PolarHBondContact NE2-O 3.19Å; Q694-E717 WeakPolarHBondContact CG-OE1 3.48Å; Q694-E717 PolarHBondContact NE2-OE1 3.19Å
695	Q	89.9	Confident	91.3	Very high	100 Å²	100	22.5 Å²	22.5	47%	0.467	12%	0.122	S	C	.	.	H	α-helix	trans	-63.1	-29	176.9	-74.8	177.6	13.8	0	0	113.1	Q691 F692 L693	Q691-Q695 WeakPolarHBondContact O-CG 3.44Å; Q691-Q695 PolarHBondContact O-N 3.28Å; Q691-Q695 VanDerWaalsContact O-N 3.1Å; F692-Q695 PolarHBondContact O-N 3.2Å; L693-Q695 VanDerWaalsContact C-N 3.33Å; L693-Q695 PolarHBondContact O-N 3.33Å
696	D	89.4	Confident	90.9	Very high	52 Å²	52	22.1 Å²	22.1	28%	0.278	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-4	173.7	-75.2	-19	0	0	0	112.9	R673 F692 L693 Q694 E698	R673-D696 WeakPolarHBondContact CD-OD2 3.38Å; R673-D696 WeakPolarHBondContact CG-OD2 3.3Å; R673-D696 IonicContact CZ-OD1 2.73Å; R673-D696 IonicContact CZ-OD2 3.66Å; R673-D696 VanDerWaalsContact NE-CG 3.33Å; R673-D696 IonicContact NE-OD1 2.82Å; R673-D696 PolarHBondContact NE-OD1 2.85Å; R673-D696 IonicContact NE-OD2 2.68Å; R673-D696 PolarHBondContact NE-OD2 2.98Å; R673-D696 IonicContact NH2-OD1 2.72Å; R673-D696 PolarHBondContact NH2-OD1 3.42Å; R673-D696 IonicContact NH2-OD2 2.83Å; F692-D696 PolarHBondContact O-N 3.08Å; L693-D696 PolarHBondContact O-N 3.04Å; L693-D696 VanDerWaalsContact O-N 3.11Å; Q694-D696 PolarHBondContact O-N 2.84Å; D696-E698 VanDerWaalsContact C-N 3.32Å; D696-E698 HydrophobicContact CB-CG 4.31Å
697	G	88.3	Confident	90.5	Very high	41 Å²	41	22 Å²	22	42%	0.423	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	79	14.4	-178.7	0	0	0	0	0	114.1	L693 Q694	L693-G697 PolarHBondContact O-N 2.88Å; Q694-G697 WeakPolarHBondContact O-CA 3.17Å; Q694-G697 PolarHBondContact O-N 3.28Å
698	E	92.3	Very high	90	Very high	64 Å²	64	21.6 Å²	21.6	30%	0.299	12%	0.117	S	C	.	.			trans	-75.8	135.9	172.8	-60.5	-74.1	-162.7	0	0	109.4	T347 V348 L693 D696	T347-E698 WeakPolarHBondContact CB-OE2 3.39Å; T347-E698 WeakPolarHBondContact CG2-OE2 3.4Å; T347-E698 WeakPolarHBondContact OG1-CA 3.45Å; T347-E698 WeakPolarHBondContact OG1-CB 3.47Å; T347-E698 PolarHBondContact OG1-OE2 2.98Å; V348-E698 HydrophobicContact CG2-CB 4.1Å; V348-E698 HydrophobicContact CG2-CG 4.24Å; L693-E698 HydrophobicContact CB-CB 4.28Å; L693-E698 WeakPolarHBondContact O-CB 3.41Å; L693-E698 PolarHBondContact O-N 3.47Å; L693-E698 VanDerWaalsContact O-N 3.12Å; D696-E698 VanDerWaalsContact C-N 3.32Å; D696-E698 HydrophobicContact CB-CG 4.31Å
699	I	93	Very high	89.8	Confident	13 Å²	13	19.7 Å²	19.7	7%	0.067	11%	0.107	C	C	.	.			trans	-85.3	110.4	170.2	-56	-58.5	0	0	0	108.2	P249 T342 C345 T347 V348 E717	P249-I699 HydrophobicContact CG-CD1 3.89Å; T342-I699 HydrophobicContact CG2-CG2 3.92Å; C345-I699 HydrophobicContact CB-CG1 4.23Å; C345-I699 HydrophobicContact CB-CG2 4.36Å; C345-I699 WeakPolarHBondContact O-CB 3.24Å; T347-I699 PolarHBondContact N-O 3.38Å; T347-I699 PolarHBondContact OG1-N 2.99Å; T347-I699 PolarHBondContact OG1-O 2.81Å; V348-I699 PolarHBondContact N-O 2.98Å; I699-E717 HydrophobicContact CD1-CG 4.13Å; I699-E717 HydrophobicContact CG2-CB 3.96Å; I699-E717 HydrophobicContact CG2-CG 4.12Å
700	S	93.8	Very high	89.4	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	132.1	-172.9	68.5	0	0	0	0	112	V348 E717 I718	V348-S700 WeakPolarHBondContact O-CA 3.49Å; S700-E717 WeakPolarHBondContact CA-OE2 3.37Å; S700-E717 WeakPolarHBondContact CB-OE2 3.49Å; S700-E717 PolarHBondContact N-OE2 3.2Å; S700-E717 PolarHBondContact O-N 3.32Å; S700-E717 PolarHBondContact OG-OE2 2.76Å; S700-I718 PolarHBondContact O-N 2.93Å
701	A	95.3	Very high	89.1	Confident	1 Å²	1	19.7 Å²	19.7	1%	0.008	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126.6	165.6	0	0	0	0	0	108.7	T346 V348 I349 C350 I718 I720	T346-A701 HydrophobicContact CG2-CB 3.72Å; V348-A701 PolarHBondContact O-N 3.44Å; I349-A701 CarbonylContact C-O 3.57Å; I349-A701 WeakPolarHBondContact CA-O 3.09Å; I349-A701 HydrophobicContact CG1-CB 4.31Å; C350-A701 PolarHBondContact N-O 3.2Å; A701-I718 CarbonylContact C-O 3.59Å; A701-I718 VanDerWaalsContact CA-O 3.31Å; A701-I718 WeakPolarHBondContact CA-O 3.35Å; A701-I718 HydrophobicContact CB-CB 4.2Å; A701-I720 HydrophobicContact CB-CD1 4.08Å
702	M	94.9	Very high	89.1	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	131.2	178	-179.1	66.7	-171.8	0	0	109.3	C350 I626 K686 V690 A712 L713 A716 I718 I720	C350-M702 HydrophobicContact CB-SD 3.43Å; C350-M702 WeakPolarHBondContact CB-SD 3.35Å; C350-M702 CarbonylContact O-C 3.53Å; C350-M702 VanDerWaalsContact O-CA 3.3Å; C350-M702 WeakPolarHBondContact O-CA 3.25Å; I626-M702 HydrophobicContact CD1-CE 4.32Å; I626-M702 HydrophobicContact CD1-SD 4.16Å; K686-M702 HydrophobicContact CB-CE 4.01Å; K686-M702 HydrophobicContact CD-CE 3.7Å; K686-M702 HydrophobicContact CG-CE 4.26Å; V690-M702 HydrophobicContact CG2-CB 4.37Å; V690-M702 HydrophobicContact CG2-SD 4.39Å; M702-A712 HydrophobicContact CE-CB 4.15Å; M702-A712 HydrophobicContact CG-CB 3.95Å; M702-A712 HydrophobicContact SD-CB 4.43Å; M702-L713 HydrophobicContact CB-CD2 4.44Å; M702-L713 HydrophobicContact CG-CD2 4.27Å; M702-L713 WeakPolarHBondContact O-CD2 2.98Å; M702-A716 HydrophobicContact CB-CB 3.61Å; M702-I718 PolarHBondContact N-O 3.4Å; M702-I720 PolarHBondContact O-N 3.01Å
703	T	93.2	Very high	88.9	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	145.5	172.3	85.7	0	0	0	0	111.7	I349 C350 S351 D352 T356 I720 I745	I349-T703 HydrophobicContact CG2-CG2 4.34Å; C350-T703 PolarHBondContact O-N 3.34Å; S351-T703 WeakPolarHBondContact CA-OG1 3.42Å; S351-T703 WeakPolarHBondContact CB-OG1 3.32Å; S351-T703 PolarHBondContact OG-OG1 2.84Å; D352-T703 PolarHBondContact N-OG1 3.12Å; D352-T703 VanDerWaalsContact N-OG1 3.08Å; T356-T703 WeakPolarHBondContact CG2-OG1 3.5Å; T703-I720 CarbonylContact C-O 3.58Å; T703-I720 WeakPolarHBondContact CA-O 3.28Å; T703-I720 HydrophobicContact CG2-CB 4.16Å; T703-I720 HydrophobicContact CG2-CD1 4.49Å; T703-I720 HydrophobicContact CG2-CG2 4.4Å; T703-I745 HydrophobicContact CG2-CD1 3.58Å
704	G	87.9	Confident	88.6	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	163.8	177.6	0	0	0	0	0	113.5	D709 I720 A721 M722	G704-D709 WeakPolarHBondContact CA-OD2 3.43Å; G704-I720 PolarHBondContact N-O 3.49Å; G704-A721 VanDerWaalsContact O-CA 3.28Å; G704-A721 WeakPolarHBondContact O-CA 3.31Å; G704-M722 PolarHBondContact O-N 2.79Å; G704-M722 VanDerWaalsContact O-N 3.12Å
705	D	84	Confident	88.6	Confident	20 Å²	20	18 Å²	18	11%	0.107	10%	0.098	C	C	.	.			trans	-129.3	-23.7	179.4	73.2	-32.7	0	0	0	112.8	D709 M722 G725 T726 A729	D705-D709 PolarHBondContact N-OD2 2.98Å; D705-M722 HydrophobicContact CB-CB 3.9Å; D705-M722 HydrophobicContact CB-CG 3.69Å; D705-G725 WeakPolarHBondContact O-CA 3.3Å; D705-T726 WeakPolarHBondContact O-CB 3.19Å; D705-T726 WeakPolarHBondContact O-CG2 3.41Å; D705-T726 PolarHBondContact O-N 2.72Å; D705-T726 PolarHBondContact O-OG1 3.18Å; D705-A729 WeakPolarHBondContact O-CB 3.34Å
706	G	79	Confident	88.7	Confident	3 Å²	3	13.5 Å²	13.5	3%	0.031	8%	0.077	C	C	.	.	S	Bend	trans	-100.2	172.4	-176.2	0	0	0	0	0	115	N708 D709	G706-N708 VanDerWaalsContact C-OD1 3.26Å; G706-N708 VanDerWaalsContact CA-OD1 3.23Å; G706-N708 WeakPolarHBondContact CA-OD1 3.47Å; G706-N708 PolarHBondContact O-N 3.25Å; G706-D709 PolarHBondContact N-OD2 3.37Å; G706-D709 PolarHBondContact O-N 3.37Å
707	V	81.5	Confident	88.7	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-67.5	-30.8	177.1	179	0	0	0	0	110.9	L120 I180 I233 I236 D709 A710 T726 V728	L120-V707 HydrophobicContact CD2-CG1 3.62Å; I180-V707 HydrophobicContact CB-CB 4.34Å; I180-V707 HydrophobicContact CB-CG2 4.04Å; I180-V707 HydrophobicContact CG2-CG2 4.24Å; I180-V707 VanDerWaalsContact O-CB 3.3Å; I180-V707 WeakPolarHBondContact O-CB 3.46Å; I180-V707 PolarHBondContact O-N 3.38Å; I233-V707 HydrophobicContact CG1-CG1 4.46Å; I236-V707 HydrophobicContact CG2-CG1 4.17Å; V707-D709 PolarHBondContact O-N 3.28Å; V707-A710 WeakPolarHBondContact O-CB 3.49Å; V707-A710 PolarHBondContact O-N 2.83Å; V707-T726 HydrophobicContact CG2-CG2 4.44Å; V707-V728 HydrophobicContact CG1-CG1 4.19Å; V707-V728 HydrophobicContact CG2-CB 4.04Å; V707-V728 HydrophobicContact CG2-CG1 4.42Å; V707-V728 HydrophobicContact CG2-CG2 4.1Å
708	N	80.3	Confident	88.9	Confident	6 Å²	6	11 Å²	11	3%	0.032	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-58.2	-24.4	171.5	58.1	-41.8	0	0	0	114.6	I180 L181 P683 G706	I180-N708 PolarHBondContact O-N 3.08Å; I180-N708 PolarHBondContact O-OD1 3.14Å; L181-N708 VanDerWaalsContact O-CB 3.26Å; L181-N708 WeakPolarHBondContact O-CB 3.49Å; P683-N708 HydrophobicContact CB-CB 4.31Å; P683-N708 WeakPolarHBondContact CB-O 3.41Å; P683-N708 HydrophobicContact CG-CB 3.84Å; G706-N708 VanDerWaalsContact C-OD1 3.26Å; G706-N708 VanDerWaalsContact CA-OD1 3.23Å; G706-N708 WeakPolarHBondContact CA-OD1 3.47Å; G706-N708 PolarHBondContact O-N 3.25Å
709	D	87	Confident	89	Confident	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.039	C	C	.	.	G	3₁₀ helix	trans	-87.4	-20.2	-179.9	-61	-37.6	0	0	0	112.5	K686 G704 D705 G706 V707 P711 A712 L713	K686-D709 WeakPolarHBondContact CD-OD1 3.28Å; K686-D709 WeakPolarHBondContact CE-OD1 3.37Å; K686-D709 IonicContact NZ-OD1 3.1Å; K686-D709 PolarHBondContact NZ-OD1 3.31Å; K686-D709 IonicContact NZ-OD2 3.02Å; G704-D709 WeakPolarHBondContact CA-OD2 3.43Å; D705-D709 PolarHBondContact N-OD2 2.98Å; G706-D709 PolarHBondContact N-OD2 3.37Å; G706-D709 PolarHBondContact O-N 3.37Å; V707-D709 PolarHBondContact O-N 3.28Å; D709-P711 VanDerWaalsContact C-CD 3.49Å; D709-A712 CarbonylContact O-C 3.54Å; D709-A712 PolarHBondContact O-N 3.29Å; D709-L713 HydrophobicContact CB-CD1 3.85Å; D709-L713 HydrophobicContact CB-CG 4.07Å; D709-L713 WeakPolarHBondContact O-CB 3.5Å; D709-L713 WeakPolarHBondContact O-CG 3.23Å; D709-L713 PolarHBondContact O-N 3.37Å
710	A	85.7	Confident	89	Confident	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-54.9	-41	-172.5	0	0	0	0	0	114.5	I240 V707 A712 L713 K714 V728 A732	I240-A710 HydrophobicContact CD1-CB 3.57Å; I240-A710 HydrophobicContact CG1-CB 4.35Å; V707-A710 WeakPolarHBondContact O-CB 3.49Å; V707-A710 PolarHBondContact O-N 2.83Å; A710-A712 VanDerWaalsContact C-N 3.35Å; A710-A712 PolarHBondContact O-N 3.09Å; A710-L713 PolarHBondContact O-N 2.88Å; A710-K714 WeakPolarHBondContact O-CB 3.37Å; A710-K714 PolarHBondContact O-N 2.9Å; A710-V728 HydrophobicContact CB-CG1 3.81Å; A710-A732 HydrophobicContact CB-CB 3.78Å
711	P	86.4	Confident	88.9	Confident	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-62.3	-40.5	174.3	-23	34.4	0	0	0	112.9	I236 Q239 I240 D709 K715	I236-P711 HydrophobicContact CB-CG 4.4Å; I236-P711 HydrophobicContact CG2-CG 3.77Å; Q239-P711 HydrophobicContact CB-CB 4.16Å; Q239-P711 HydrophobicContact CB-CG 4.38Å; I240-P711 HydrophobicContact CG1-CB 4.46Å; I240-P711 HydrophobicContact CG1-CG 4.14Å; D709-P711 VanDerWaalsContact C-CD 3.49Å; P711-K715 VanDerWaalsContact O-CB 3.23Å; P711-K715 WeakPolarHBondContact O-CB 3.18Å; P711-K715 PolarHBondContact O-N 2.84Å; P711-K715 VanDerWaalsContact O-N 3.15Å
712	A	90.9	Very high	88.7	Confident	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-75.3	-37.7	-179.7	0	0	0	0	0	112	K686 M702 D709 A710 K715 A716	K686-A712 HydrophobicContact CB-CB 3.53Å; M702-A712 HydrophobicContact CE-CB 4.15Å; M702-A712 HydrophobicContact CG-CB 3.95Å; M702-A712 HydrophobicContact SD-CB 4.43Å; D709-A712 CarbonylContact O-C 3.54Å; D709-A712 PolarHBondContact O-N 3.29Å; A710-A712 VanDerWaalsContact C-N 3.35Å; A710-A712 PolarHBondContact O-N 3.09Å; A712-K715 PolarHBondContact O-N 3.05Å; A712-A716 WeakPolarHBondContact O-CB 3.48Å; A712-A716 PolarHBondContact O-N 2.92Å
713	L	91.1	Very high	88.2	Confident	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-59.7	-47.5	174.6	-72.7	171.9	0	0	0	111.1	M702 D709 A710 K715 G719 I720 A729 A732	M702-L713 HydrophobicContact CB-CD2 4.44Å; M702-L713 HydrophobicContact CG-CD2 4.27Å; M702-L713 WeakPolarHBondContact O-CD2 2.98Å; D709-L713 HydrophobicContact CB-CD1 3.85Å; D709-L713 HydrophobicContact CB-CG 4.07Å; D709-L713 WeakPolarHBondContact O-CB 3.5Å; D709-L713 WeakPolarHBondContact O-CG 3.23Å; D709-L713 PolarHBondContact O-N 3.37Å; A710-L713 PolarHBondContact O-N 2.88Å; L713-K715 VanDerWaalsContact C-N 3.32Å; L713-K715 PolarHBondContact O-N 2.97Å; L713-G719 VanDerWaalsContact O-CA 3.23Å; L713-G719 WeakPolarHBondContact O-CA 3.46Å; L713-G719 PolarHBondContact O-N 3.45Å; L713-I720 WeakPolarHBondContact CD2-O 3.17Å; L713-A729 HydrophobicContact CD1-CB 3.95Å; L713-A732 HydrophobicContact CB-CB 4.29Å
714	K	87	Confident	87.6	Confident	34 Å²	34	11.4 Å²	11.4	15%	0.148	7%	0.068	C	C	.	.	H	α-helix	trans	-71.4	-29	-179.8	-168.4	167.6	-177.8	-172.3	0	113	I240 Q245 A710 A732	I240-K714 HydrophobicContact CG2-CD 3.66Å; I240-K714 PolarHBondContact O-NZ 3.4Å; Q245-K714 HydrophobicContact CG-CG 4.44Å; A710-K714 WeakPolarHBondContact O-CB 3.37Å; A710-K714 PolarHBondContact O-N 2.9Å; K714-A732 HydrophobicContact CB-CB 4.49Å
715	K	89.5	Confident	87.1	Confident	44 Å²	44	11.8 Å²	11.8	19%	0.191	7%	0.072	C	C	.	.	H	α-helix	trans	-79.5	-34.1	-179.8	-167.6	157.1	-170.9	171.1	0	113.3	T243 V690 Q694 P711 A712 L713	T243-K715 HydrophobicContact CG2-CB 3.64Å; T243-K715 HydrophobicContact CG2-CD 4.18Å; T243-K715 HydrophobicContact CG2-CG 3.83Å; V690-K715 HydrophobicContact CG1-CB 4.31Å; V690-K715 HydrophobicContact CG1-CG 4.17Å; Q694-K715 PolarHBondContact NE2-O 3.19Å; P711-K715 VanDerWaalsContact O-CB 3.23Å; P711-K715 WeakPolarHBondContact O-CB 3.18Å; P711-K715 PolarHBondContact O-N 2.84Å; P711-K715 VanDerWaalsContact O-N 3.15Å; A712-K715 PolarHBondContact O-N 3.05Å; L713-K715 VanDerWaalsContact C-N 3.32Å; L713-K715 PolarHBondContact O-N 2.97Å
716	A	91.8	Very high	86.9	Confident	5 Å²	5	12.1 Å²	12.1	4%	0.041	8%	0.075	C	C	.	.	S	Bend	trans	-61.5	151.6	176.7	0	0	0	0	0	110.3	V690 M702 A712 I718	V690-A716 HydrophobicContact CG1-CB 4.01Å; V690-A716 HydrophobicContact CG2-CB 4.45Å; M702-A716 HydrophobicContact CB-CB 3.61Å; A712-A716 WeakPolarHBondContact O-CB 3.48Å; A712-A716 PolarHBondContact O-N 2.92Å; A716-I718 PolarHBondContact O-N 2.94Å; A716-I718 VanDerWaalsContact O-N 3.12Å
717	E	90.7	Very high	86.9	Confident	40 Å²	40	13.8 Å²	13.8	19%	0.187	9%	0.088	C	C	.	.	S	Bend	trans	-57.9	-26.2	171.9	-73.4	71.3	-151.3	0	0	111.7	T342 Q694 I699 S700	T342-E717 HydrophobicContact CG2-CB 3.78Å; Q694-E717 WeakPolarHBondContact CG-OE1 3.48Å; Q694-E717 PolarHBondContact NE2-OE1 3.19Å; I699-E717 HydrophobicContact CD1-CG 4.13Å; I699-E717 HydrophobicContact CG2-CB 3.96Å; I699-E717 HydrophobicContact CG2-CG 4.12Å; S700-E717 WeakPolarHBondContact CA-OE2 3.37Å; S700-E717 WeakPolarHBondContact CB-OE2 3.49Å; S700-E717 PolarHBondContact N-OE2 3.2Å; S700-E717 PolarHBondContact O-N 3.32Å; S700-E717 PolarHBondContact OG-OE2 2.76Å
718	I	92.3	Very high	86.9	Confident	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	107.2	175.5	-47.7	173.6	0	0	0	109.7	T342 L343 S700 A701 M702 A716 I720 D734	T342-I718 VanDerWaalsContact C-CD1 3.42Å; T342-I718 HydrophobicContact CG2-CD1 3.83Å; T342-I718 HydrophobicContact CG2-CG1 3.59Å; L343-I718 HydrophobicContact CB-CD1 3.8Å; L343-I718 HydrophobicContact CD1-CD1 3.52Å; L343-I718 HydrophobicContact CD1-CG2 3.85Å; L343-I718 HydrophobicContact CG-CD1 4.16Å; S700-I718 PolarHBondContact O-N 2.93Å; A701-I718 CarbonylContact C-O 3.59Å; A701-I718 VanDerWaalsContact CA-O 3.31Å; A701-I718 WeakPolarHBondContact CA-O 3.35Å; A701-I718 HydrophobicContact CB-CB 4.2Å; M702-I718 PolarHBondContact N-O 3.4Å; A716-I718 PolarHBondContact O-N 2.94Å; A716-I718 VanDerWaalsContact O-N 3.12Å; I718-I720 HydrophobicContact CG2-CD1 4.42Å; I718-I720 HydrophobicContact CG2-CG1 3.92Å; I718-D734 HydrophobicContact CG2-CB 4.33Å
719	G	93.2	Very high	87.1	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	129.2	164.9	0	0	0	0	0	111	L713 S733 D734 M735	L713-G719 VanDerWaalsContact O-CA 3.23Å; L713-G719 WeakPolarHBondContact O-CA 3.46Å; L713-G719 PolarHBondContact O-N 3.45Å; G719-S733 CarbonylContact O-C 3.08Å; G719-S733 VanDerWaalsContact O-CB 3.32Å; G719-S733 WeakPolarHBondContact O-CB 3.36Å; G719-D734 PolarHBondContact N-OD2 2.96Å; G719-D734 PolarHBondContact O-N 3.5Å; G719-M735 PolarHBondContact O-N 3.35Å
720	I	94.8	Very high	87.1	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	113.2	177.1	-55.7	179.6	0	0	0	109.5	L343 A701 M702 T703 G704 L713 I718 M735 L737 I745	L343-I720 HydrophobicContact CD1-CD1 4.42Å; A701-I720 HydrophobicContact CB-CD1 4.08Å; M702-I720 PolarHBondContact O-N 3.01Å; T703-I720 CarbonylContact C-O 3.58Å; T703-I720 WeakPolarHBondContact CA-O 3.28Å; T703-I720 HydrophobicContact CG2-CB 4.16Å; T703-I720 HydrophobicContact CG2-CD1 4.49Å; T703-I720 HydrophobicContact CG2-CG2 4.4Å; G704-I720 PolarHBondContact N-O 3.49Å; L713-I720 WeakPolarHBondContact CD2-O 3.17Å; I718-I720 HydrophobicContact CG2-CD1 4.42Å; I718-I720 HydrophobicContact CG2-CG1 3.92Å; I720-M735 CarbonylContact C-O 3.58Å; I720-M735 WeakPolarHBondContact CA-O 3.47Å; I720-L737 HydrophobicContact CG2-CD1 3.79Å; I720-L737 HydrophobicContact CG2-CD2 3.95Å; I720-L737 HydrophobicContact CG2-CG 3.65Å; I720-I745 HydrophobicContact CD1-CD1 4.15Å; I720-I745 HydrophobicContact CD1-CG1 4.18Å; I720-I745 HydrophobicContact CD1-CG2 3.83Å; I720-I745 HydrophobicContact CG2-CD1 4.29Å; I720-I745 HydrophobicContact CG2-CG1 4.34Å
721	A	91.7	Very high	86.9	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	152.1	176.2	0	0	0	0	0	113	G704 A729 K730 S733 M735 V736 L737	G704-A721 VanDerWaalsContact O-CA 3.28Å; G704-A721 WeakPolarHBondContact O-CA 3.31Å; A721-A729 HydrophobicContact CB-CB 4.25Å; A721-K730 VanDerWaalsContact CB-CA 3.47Å; A721-K730 HydrophobicContact CB-CB 4.32Å; A721-K730 HydrophobicContact CB-CG 3.98Å; A721-S733 VanDerWaalsContact CB-OG 3.25Å; A721-S733 WeakPolarHBondContact CB-OG 3.15Å; A721-M735 PolarHBondContact N-O 3.5Å; A721-V736 HydrophobicContact CB-CG2 4.39Å; A721-V736 CarbonylContact O-C 3.33Å; A721-V736 WeakPolarHBondContact O-CA 3.4Å; A721-L737 PolarHBondContact O-N 2.89Å
722	M	89.3	Confident	86.8	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	141.4	169.8	-53.4	-49.4	-68.7	0	0	110.8	T356 G704 D705 S724 G725 K730 L737 D740	T356-M722 HydrophobicContact CG2-CE 4.15Å; T356-M722 HydrophobicContact CG2-SD 3.73Å; T356-M722 PolarHBondContact OG1-SD 3.48Å; T356-M722 VanDerWaalsContact OG1-SD 3.34Å; G704-M722 PolarHBondContact O-N 2.79Å; G704-M722 VanDerWaalsContact O-N 3.12Å; D705-M722 HydrophobicContact CB-CB 3.9Å; D705-M722 HydrophobicContact CB-CG 3.69Å; M722-S724 VanDerWaalsContact C-N 3.29Å; M722-S724 PolarHBondContact O-N 3Å; M722-G725 WeakPolarHBondContact O-CA 3.44Å; M722-G725 PolarHBondContact O-N 3.03Å; M722-K730 WeakPolarHBondContact O-CE 3.19Å; M722-L737 HydrophobicContact CE-CD1 4.43Å; M722-L737 HydrophobicContact SD-CD1 4.05Å; M722-D740 WeakPolarHBondContact CB-OD1 3.3Å; M722-D740 VanDerWaalsContact CE-C 3.42Å; M722-D740 HydrophobicContact CE-CB 3.4Å; M722-D740 VanDerWaalsContact CE-CB 3.4Å; M722-D740 VanDerWaalsContact CE-O 3.27Å; M722-D740 WeakPolarHBondContact CE-O 3.19Å
723	G	85.3	Confident	86.7	Confident	23 Å²	23	17.4 Å²	17.4	24%	0.237	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-31.1	173.1	0	0	0	0	0	112.7	G725 K730 L737 D740	G723-G725 VanDerWaalsContact C-N 3.27Å; G723-K730 WeakPolarHBondContact O-CE 3.43Å; G723-K730 PolarHBondContact O-NZ 3.01Å; G723-L737 WeakPolarHBondContact CA-O 3.42Å; G723-L737 PolarHBondContact N-O 2.82Å; G723-D740 VanDerWaalsContact CA-OD1 3.32Å; G723-D740 WeakPolarHBondContact CA-OD1 3.5Å; G723-D740 PolarHBondContact N-OD1 3.14Å
724	S	80.3	Confident	86.6	Confident	64 Å²	64	18.1 Å²	18.1	45%	0.448	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-8.3	166.6	68.4	0	0	0	0	113.8	M722 D740	M722-S724 VanDerWaalsContact C-N 3.29Å; M722-S724 PolarHBondContact O-N 3Å; S724-D740 WeakPolarHBondContact CB-OD2 3.37Å; S724-D740 PolarHBondContact N-OD1 3.48Å; S724-D740 PolarHBondContact N-OD2 2.79Å; S724-D740 PolarHBondContact OG-OD2 3.14Å; S724-D740 VanDerWaalsContact OG-OD2 3.09Å
725	G	78.3	Confident	86.8	Confident	9 Å²	9	16.5 Å²	16.5	9%	0.093	10%	0.104	C	C	.	.	S	Bend	trans	-67.8	169.3	-176.3	0	0	0	0	0	113.7	D705 M722 G723 K730	D705-G725 WeakPolarHBondContact O-CA 3.3Å; M722-G725 WeakPolarHBondContact O-CA 3.44Å; M722-G725 PolarHBondContact O-N 3.03Å; G723-G725 VanDerWaalsContact C-N 3.27Å; G725-K730 WeakPolarHBondContact O-CE 3.3Å; G725-K730 PolarHBondContact O-NZ 2.66Å
726	T	79.8	Confident	87	Confident	27 Å²	27	15 Å²	15	17%	0.166	10%	0.099	C	C	.	.			trans	-59.1	151.5	176	60.1	0	0	0	0	111.6	Y123 D705 V707 V728 A729 K730	Y123-T726 WeakPolarHBondContact OH-CB 3.29Å; D705-T726 WeakPolarHBondContact O-CB 3.19Å; D705-T726 WeakPolarHBondContact O-CG2 3.41Å; D705-T726 PolarHBondContact O-N 2.72Å; D705-T726 PolarHBondContact O-OG1 3.18Å; V707-T726 HydrophobicContact CG2-CG2 4.44Å; T726-V728 PolarHBondContact O-N 2.73Å; T726-A729 PolarHBondContact O-N 3.21Å; T726-A729 WeakPolarHBondContact OG1-CB 3.42Å; T726-A729 PolarHBondContact OG1-N 3.49Å; T726-K730 WeakPolarHBondContact O-CG 3.3Å; T726-K730 PolarHBondContact O-N 2.98Å; T726-K730 VanDerWaalsContact O-N 3.15Å
727	A	78.8	Confident	87	Confident	38 Å²	38	14.8 Å²	14.8	31%	0.314	10%	0.097	S	C	.	.	H	α-helix	trans	-58.6	-34.7	176.2	0	0	0	0	0	111.5	A119 K730 S731	A119-A727 HydrophobicContact CB-CB 4.03Å; A727-K730 PolarHBondContact O-N 2.98Å; A727-S731 WeakPolarHBondContact O-CB 3.25Å; A727-S731 PolarHBondContact O-N 3.28Å; A727-S731 PolarHBondContact O-OG 3.45Å; A727-S731 VanDerWaalsContact O-OG 3.1Å
728	V	80.8	Confident	86.8	Confident	1 Å²	1	15.3 Å²	15.3	1%	0.006	11%	0.108	C	C	.	.	H	α-helix	trans	-66	-45.5	177.3	-178.1	0	0	0	0	112.2	A119 L120 Y123 V707 A710 T726 K730 S731 A732	A119-V728 HydrophobicContact CB-CG2 4.18Å; A119-V728 WeakPolarHBondContact O-CG2 3.5Å; L120-V728 HydrophobicContact CB-CG2 4.32Å; L120-V728 HydrophobicContact CD1-CG1 4.13Å; L120-V728 HydrophobicContact CD2-CG1 3.85Å; L120-V728 HydrophobicContact CD2-CG2 3.87Å; L120-V728 HydrophobicContact CG-CB 4.36Å; L120-V728 HydrophobicContact CG-CG1 3.65Å; L120-V728 HydrophobicContact CG-CG2 3.7Å; Y123-V728 HydrophobicContact CD2-CG2 3.98Å; Y123-V728 HydrophobicContact CE2-CG2 3.59Å; V707-V728 HydrophobicContact CG1-CG1 4.19Å; V707-V728 HydrophobicContact CG2-CB 4.04Å; V707-V728 HydrophobicContact CG2-CG1 4.42Å; V707-V728 HydrophobicContact CG2-CG2 4.1Å; A710-V728 HydrophobicContact CB-CG1 3.81Å; T726-V728 PolarHBondContact O-N 2.73Å; V728-K730 VanDerWaalsContact C-N 3.33Å; V728-K730 PolarHBondContact O-N 3Å; V728-S731 WeakPolarHBondContact CA-OG 3.43Å; V728-S731 PolarHBondContact O-N 3.43Å; V728-S731 PolarHBondContact O-OG 2.83Å; V728-A732 WeakPolarHBondContact O-CB 3.18Å; V728-A732 PolarHBondContact O-N 3.16Å
729	A	85.1	Confident	86.6	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.3	-47.3	176.4	0	0	0	0	0	110.6	D705 L713 A721 T726 S731 A732 S733	D705-A729 WeakPolarHBondContact O-CB 3.34Å; L713-A729 HydrophobicContact CD1-CB 3.95Å; A721-A729 HydrophobicContact CB-CB 4.25Å; T726-A729 PolarHBondContact O-N 3.21Å; T726-A729 WeakPolarHBondContact OG1-CB 3.42Å; T726-A729 PolarHBondContact OG1-N 3.49Å; A729-S731 PolarHBondContact O-N 3.07Å; A729-A732 PolarHBondContact O-N 3.46Å; A729-S733 WeakPolarHBondContact O-CB 3.22Å; A729-S733 PolarHBondContact O-N 3.36Å; A729-S733 PolarHBondContact O-OG 3.05Å
730	K	86.4	Confident	86.1	Confident	57 Å²	57	19 Å²	19	25%	0.248	13%	0.128	C	C	.	.	H	α-helix	trans	-60.5	-29	178.1	-69.4	170.4	-179.8	155.9	0	113.7	R335 A721 M722 G723 G725 T726 A727 V728 S733 V736	R335-K730 WeakPolarHBondContact CD-O 3.48Å; R335-K730 PolarHBondContact NE-O 2.95Å; R335-K730 PolarHBondContact NH1-O 3.15Å; A721-K730 VanDerWaalsContact CB-CA 3.47Å; A721-K730 HydrophobicContact CB-CB 4.32Å; A721-K730 HydrophobicContact CB-CG 3.98Å; M722-K730 WeakPolarHBondContact O-CE 3.19Å; G723-K730 WeakPolarHBondContact O-CE 3.43Å; G723-K730 PolarHBondContact O-NZ 3.01Å; G725-K730 WeakPolarHBondContact O-CE 3.3Å; G725-K730 PolarHBondContact O-NZ 2.66Å; T726-K730 WeakPolarHBondContact O-CG 3.3Å; T726-K730 PolarHBondContact O-N 2.98Å; T726-K730 VanDerWaalsContact O-N 3.15Å; A727-K730 PolarHBondContact O-N 2.98Å; V728-K730 VanDerWaalsContact C-N 3.33Å; V728-K730 PolarHBondContact O-N 3Å; K730-S733 VanDerWaalsContact C-OG 3.24Å; K730-S733 WeakPolarHBondContact CA-OG 3.4Å; K730-S733 PolarHBondContact O-OG 3.07Å; K730-V736 HydrophobicContact CB-CG2 4.03Å; K730-V736 HydrophobicContact CD-CG1 4.39Å; K730-V736 HydrophobicContact CG-CG1 4.01Å; K730-V736 HydrophobicContact CG-CG2 4.09Å
731	S	81	Confident	85.6	Confident	12 Å²	12	20.1 Å²	20.1	8%	0.084	13%	0.134	C	C	.	.	H	α-helix	trans	-91	-30	-175.9	74	0	0	0	0	113	A116 R335 A727 V728 A729 S733	A116-S731 VanDerWaalsContact CA-CB 3.46Å; A116-S731 WeakPolarHBondContact CA-OG 3.39Å; A116-S731 WeakPolarHBondContact CB-O 3.43Å; A116-S731 PolarHBondContact O-OG 2.74Å; A116-S731 VanDerWaalsContact O-OG 3.11Å; R335-S731 VanDerWaalsContact NH1-CA 3.27Å; A727-S731 WeakPolarHBondContact O-CB 3.25Å; A727-S731 PolarHBondContact O-N 3.28Å; A727-S731 PolarHBondContact O-OG 3.45Å; A727-S731 VanDerWaalsContact O-OG 3.1Å; V728-S731 WeakPolarHBondContact CA-OG 3.43Å; V728-S731 PolarHBondContact O-N 3.43Å; V728-S731 PolarHBondContact O-OG 2.83Å; A729-S731 PolarHBondContact O-N 3.07Å; S731-S733 VanDerWaalsContact C-N 3.28Å
732	A	84.5	Confident	85.5	Confident	7 Å²	7	20.1 Å²	20.1	6%	0.058	13%	0.134	C	C	.	.	H	α-helix	trans	-75.3	-14.1	167.5	0	0	0	0	0	113.8	A710 L713 K714 V728 A729	A710-A732 HydrophobicContact CB-CB 3.78Å; L713-A732 HydrophobicContact CB-CB 4.29Å; K714-A732 HydrophobicContact CB-CB 4.49Å; V728-A732 WeakPolarHBondContact O-CB 3.18Å; V728-A732 PolarHBondContact O-N 3.16Å; A729-A732 PolarHBondContact O-N 3.46Å
733	S	89.5	Confident	85.5	Confident	5 Å²	5	21.8 Å²	21.8	4%	0.035	15%	0.145	C	C	.	.			trans	-93	148.6	-178.7	65.5	0	0	0	0	113.9	R335 G719 A721 A729 K730 S731 M735	R335-S733 WeakPolarHBondContact CD-O 3.3Å; G719-S733 CarbonylContact O-C 3.08Å; G719-S733 VanDerWaalsContact O-CB 3.32Å; G719-S733 WeakPolarHBondContact O-CB 3.36Å; A721-S733 VanDerWaalsContact CB-OG 3.25Å; A721-S733 WeakPolarHBondContact CB-OG 3.15Å; A729-S733 WeakPolarHBondContact O-CB 3.22Å; A729-S733 PolarHBondContact O-N 3.36Å; A729-S733 PolarHBondContact O-OG 3.05Å; K730-S733 VanDerWaalsContact C-OG 3.24Å; K730-S733 WeakPolarHBondContact CA-OG 3.4Å; K730-S733 PolarHBondContact O-OG 3.07Å; S731-S733 VanDerWaalsContact C-N 3.28Å; S733-M735 WeakPolarHBondContact CB-O 3.42Å; S733-M735 PolarHBondContact OG-O 3.5Å
734	D	88.9	Confident	85.8	Confident	14 Å²	14	21 Å²	21	8%	0.075	14%	0.136	C	C	.	.	S	Bend	trans	-76.9	-25.1	169.3	-63.2	-78.2	0	0	0	113.6	R335 S339 I718 G719	R335-D734 WeakPolarHBondContact CB-O 3.47Å; R335-D734 PolarHBondContact N-O 3.27Å; S339-D734 PolarHBondContact OG-OD1 3.49Å; I718-D734 HydrophobicContact CG2-CB 4.33Å; G719-D734 PolarHBondContact N-OD2 2.96Å; G719-D734 PolarHBondContact O-N 3.5Å
735	M	91.6	Very high	86.4	Confident	0 Å²	0	18 Å²	18	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	144	-178.1	-173.9	-168.4	-46.5	0	0	111.4	A332 I333 V334 L343 G719 I720 A721 S733 L737 A748	A332-M735 HydrophobicContact CB-SD 3.96Å; I333-M735 CarbonylContact O-C 3.28Å; I333-M735 WeakPolarHBondContact O-CA 3.36Å; V334-M735 HydrophobicContact CG2-CE 4.4Å; V334-M735 HydrophobicContact CG2-CG 4.27Å; L343-M735 HydrophobicContact CD1-CE 3.36Å; L343-M735 HydrophobicContact CD2-CE 3.45Å; L343-M735 VanDerWaalsContact CD2-CE 3.45Å; L343-M735 HydrophobicContact CG-CE 4Å; G719-M735 PolarHBondContact O-N 3.35Å; I720-M735 CarbonylContact C-O 3.58Å; I720-M735 WeakPolarHBondContact CA-O 3.47Å; A721-M735 PolarHBondContact N-O 3.5Å; S733-M735 WeakPolarHBondContact CB-O 3.42Å; S733-M735 PolarHBondContact OG-O 3.5Å; M735-L737 HydrophobicContact SD-CD2 4.1Å; M735-A748 HydrophobicContact CE-CB 4.24Å; M735-A748 HydrophobicContact SD-CB 4.2Å
736	V	91.9	Very high	87.1	Confident	14 Å²	14	18.4 Å²	18.4	9%	0.085	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.8	174.3	-174.9	0	0	0	0	110.1	I333 A721 K730 A738	I333-V736 HydrophobicContact CB-CB 4.33Å; I333-V736 PolarHBondContact N-O 3.41Å; I333-V736 PolarHBondContact O-N 2.63Å; A721-V736 HydrophobicContact CB-CG2 4.39Å; A721-V736 CarbonylContact O-C 3.33Å; A721-V736 WeakPolarHBondContact O-CA 3.4Å; K730-V736 HydrophobicContact CB-CG2 4.03Å; K730-V736 HydrophobicContact CD-CG1 4.39Å; K730-V736 HydrophobicContact CG-CG1 4.01Å; K730-V736 HydrophobicContact CG-CG2 4.09Å; V736-A738 PolarHBondContact O-N 2.98Å
737	L	92.1	Very high	87.7	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	102.3	175.8	-54	179	0	0	0	109.8	I720 A721 M722 G723 M735 D739 D740 T744 I745	I720-L737 HydrophobicContact CG2-CD1 3.79Å; I720-L737 HydrophobicContact CG2-CD2 3.95Å; I720-L737 HydrophobicContact CG2-CG 3.65Å; A721-L737 PolarHBondContact O-N 2.89Å; M722-L737 HydrophobicContact CE-CD1 4.43Å; M722-L737 HydrophobicContact SD-CD1 4.05Å; G723-L737 WeakPolarHBondContact CA-O 3.42Å; G723-L737 PolarHBondContact N-O 2.82Å; M735-L737 HydrophobicContact SD-CD2 4.1Å; L737-D739 PolarHBondContact O-N 3.07Å; L737-D739 VanDerWaalsContact O-N 3.16Å; L737-D740 PolarHBondContact O-N 3.28Å; L737-T744 HydrophobicContact CD2-CG2 3.85Å; L737-I745 HydrophobicContact CD1-CD1 3.93Å; L737-I745 HydrophobicContact CD1-CG1 3.66Å; L737-I745 HydrophobicContact CD2-CG1 3.98Å; L737-I745 HydrophobicContact CG-CG1 4.43Å
738	A	87.9	Confident	88.4	Confident	51 Å²	51	16.7 Å²	16.7	42%	0.421	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.4	-174.8	0	0	0	0	0	113.9	N331 I333 V736	N331-A738 HydrophobicContact CB-CB 4.16Å; N331-A738 PolarHBondContact O-N 3.44Å; I333-A738 HydrophobicContact CD1-CB 3.94Å; I333-A738 HydrophobicContact CG1-CB 4.3Å; V736-A738 PolarHBondContact O-N 2.98Å
739	D	86.7	Confident	89	Confident	52 Å²	52	16.7 Å²	16.7	28%	0.278	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	5.6	-178.7	62.7	-3.1	0	0	0	114.2	N331 L737 N741 T744	N331-D739 HydrophobicContact CB-CB 4Å; N331-D739 WeakPolarHBondContact CB-OD2 3.49Å; N331-D739 PolarHBondContact ND2-OD2 3.46Å; L737-D739 PolarHBondContact O-N 3.07Å; L737-D739 VanDerWaalsContact O-N 3.16Å; D739-N741 PolarHBondContact O-N 3.22Å; D739-N741 VanDerWaalsContact O-N 3.15Å; D739-N741 WeakPolarHBondContact OD1-CB 3.31Å; D739-N741 PolarHBondContact OD1-N 3.48Å; D739-T744 PolarHBondContact OD1-OG1 3.06Å; D739-T744 PolarHBondContact OD2-OG1 2.88Å
740	D	84	Confident	89.4	Confident	26 Å²	26	20.1 Å²	20.1	14%	0.139	12%	0.12	C	C	.	.			trans	53.4	29.1	-176.5	-56.2	-39.8	0	0	0	114.6	R606 M722 G723 S724 L737	R606-D740 PolarHBondContact NE-O 3.07Å; R606-D740 PolarHBondContact NH1-O 3.46Å; R606-D740 PolarHBondContact NH2-O 2.76Å; M722-D740 WeakPolarHBondContact CB-OD1 3.3Å; M722-D740 VanDerWaalsContact CE-C 3.42Å; M722-D740 HydrophobicContact CE-CB 3.4Å; M722-D740 VanDerWaalsContact CE-CB 3.4Å; M722-D740 VanDerWaalsContact CE-O 3.27Å; M722-D740 WeakPolarHBondContact CE-O 3.19Å; G723-D740 VanDerWaalsContact CA-OD1 3.32Å; G723-D740 WeakPolarHBondContact CA-OD1 3.5Å; G723-D740 PolarHBondContact N-OD1 3.14Å; S724-D740 WeakPolarHBondContact CB-OD2 3.37Å; S724-D740 PolarHBondContact N-OD1 3.48Å; S724-D740 PolarHBondContact N-OD2 2.79Å; S724-D740 PolarHBondContact OG-OD2 3.14Å; S724-D740 VanDerWaalsContact OG-OD2 3.09Å; L737-D740 PolarHBondContact O-N 3.28Å
741	N	84.6	Confident	89.6	Confident	23 Å²	23	18.3 Å²	18.3	12%	0.123	11%	0.112	C	C	.	.			trans	-106.3	124.8	-173	-164.8	-14.5	0	0	0	112.5	D739 S743 T744	D739-N741 PolarHBondContact O-N 3.22Å; D739-N741 VanDerWaalsContact O-N 3.15Å; D739-N741 WeakPolarHBondContact OD1-CB 3.31Å; D739-N741 PolarHBondContact OD1-N 3.48Å; N741-S743 PolarHBondContact ND2-OG 3.49Å; N741-S743 PolarHBondContact O-N 3.4Å; N741-S743 PolarHBondContact OD1-N 3.23Å; N741-S743 PolarHBondContact OD1-OG 2.91Å; N741-S743 VanDerWaalsContact OD1-OG 3.06Å; N741-T744 WeakPolarHBondContact O-CB 3.36Å; N741-T744 PolarHBondContact O-N 3.4Å; N741-T744 PolarHBondContact O-OG1 3.28Å
742	F	88.5	Confident	90.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.5	-29.6	174.5	-171.6	-91	0	0	0	112.8	I349 T356 L357 V609 I613 V623 T744 I745 V746	I349-F742 HydrophobicContact CG2-CE2 3.96Å; I349-F742 HydrophobicContact CG2-CZ 4.18Å; T356-F742 HydrophobicContact CG2-CD2 4.45Å; L357-F742 HydrophobicContact CD2-CB 4.38Å; L357-F742 HydrophobicContact CD2-CD2 3.57Å; L357-F742 HydrophobicContact CD2-CE2 3.94Å; L357-F742 HydrophobicContact CD2-CG 3.92Å; V609-F742 HydrophobicContact CG2-CB 3.91Å; I613-F742 HydrophobicContact CD1-CE1 3.93Å; I613-F742 HydrophobicContact CD1-CZ 4.06Å; V623-F742 HydrophobicContact CG1-CZ 4.37Å; V623-F742 HydrophobicContact CG2-CZ 4.41Å; F742-T744 PolarHBondContact O-N 3.41Å; F742-I745 HydrophobicContact CD2-CD1 3.76Å; F742-I745 HydrophobicContact CE2-CD1 4.01Å; F742-I745 HydrophobicContact CG-CD1 4.43Å; F742-I745 WeakPolarHBondContact O-CB 3.27Å; F742-I745 PolarHBondContact O-N 3.16Å; F742-I745 VanDerWaalsContact O-N 3.12Å; F742-V746 HydrophobicContact CE1-CG2 4.46Å
743	S	89	Confident	90.5	Very high	35 Å²	35	18.2 Å²	18.2	25%	0.245	11%	0.109	C	C	.	.	H	α-helix	trans	-63.1	-26.8	176	65.8	0	0	0	0	112.8	S612 N741 I745 V746 A747	S612-S743 WeakPolarHBondContact OG-CA 3.42Å; S612-S743 WeakPolarHBondContact OG-CB 3.32Å; N741-S743 PolarHBondContact ND2-OG 3.49Å; N741-S743 PolarHBondContact O-N 3.4Å; N741-S743 PolarHBondContact OD1-N 3.23Å; N741-S743 PolarHBondContact OD1-OG 2.91Å; N741-S743 VanDerWaalsContact OD1-OG 3.06Å; S743-I745 VanDerWaalsContact C-N 3.27Å; S743-I745 PolarHBondContact O-N 2.98Å; S743-V746 WeakPolarHBondContact O-CB 3.48Å; S743-V746 PolarHBondContact O-N 3.5Å; S743-A747 PolarHBondContact O-N 3.47Å
744	T	92.8	Very high	90.4	Very high	7 Å²	7	18 Å²	18	4%	0.043	11%	0.108	C	C	.	.	H	α-helix	trans	-65.3	-33.1	177.1	-57.8	0	0	0	0	111.2	K330 N331 A332 L737 D739 N741 F742 V746 A747 A748	K330-T744 WeakPolarHBondContact O-CG2 3.49Å; N331-T744 HydrophobicContact CB-CG2 4.36Å; A332-T744 HydrophobicContact CB-CG2 3.82Å; L737-T744 HydrophobicContact CD2-CG2 3.85Å; D739-T744 PolarHBondContact OD1-OG1 3.06Å; D739-T744 PolarHBondContact OD2-OG1 2.88Å; N741-T744 WeakPolarHBondContact O-CB 3.36Å; N741-T744 PolarHBondContact O-N 3.4Å; N741-T744 PolarHBondContact O-OG1 3.28Å; F742-T744 PolarHBondContact O-N 3.41Å; T744-V746 VanDerWaalsContact C-N 3.35Å; T744-V746 PolarHBondContact O-N 3.21Å; T744-A747 PolarHBondContact O-N 2.98Å; T744-A748 VanDerWaalsContact O-CB 3.27Å; T744-A748 WeakPolarHBondContact O-CB 3.34Å; T744-A748 PolarHBondContact O-N 3.38Å
745	I	93.3	Very high	90.4	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-61.8	-45.4	173.1	-55.1	176.3	0	0	0	110.1	I349 T703 I720 L737 F742 S743 A747 A748 V749	I349-I745 HydrophobicContact CD1-CG2 3.97Å; T703-I745 HydrophobicContact CG2-CD1 3.58Å; I720-I745 HydrophobicContact CD1-CD1 4.15Å; I720-I745 HydrophobicContact CD1-CG1 4.18Å; I720-I745 HydrophobicContact CD1-CG2 3.83Å; I720-I745 HydrophobicContact CG2-CD1 4.29Å; I720-I745 HydrophobicContact CG2-CG1 4.34Å; L737-I745 HydrophobicContact CD1-CD1 3.93Å; L737-I745 HydrophobicContact CD1-CG1 3.66Å; L737-I745 HydrophobicContact CD2-CG1 3.98Å; L737-I745 HydrophobicContact CG-CG1 4.43Å; F742-I745 HydrophobicContact CD2-CD1 3.76Å; F742-I745 HydrophobicContact CE2-CD1 4.01Å; F742-I745 HydrophobicContact CG-CD1 4.43Å; F742-I745 WeakPolarHBondContact O-CB 3.27Å; F742-I745 PolarHBondContact O-N 3.16Å; F742-I745 VanDerWaalsContact O-N 3.12Å; S743-I745 VanDerWaalsContact C-N 3.27Å; S743-I745 PolarHBondContact O-N 2.98Å; I745-A747 PolarHBondContact O-N 3.32Å; I745-A748 PolarHBondContact O-N 3.3Å; I745-V749 HydrophobicContact CG2-CG2 4.42Å; I745-V749 WeakPolarHBondContact O-CG2 3.47Å; I745-V749 PolarHBondContact O-N 3.47Å
746	V	92.5	Very high	90.3	Very high	16 Å²	16	17.9 Å²	17.9	10%	0.097	11%	0.106	C	C	.	.	H	α-helix	trans	-62.5	-45.4	179.4	-176.7	0	0	0	0	111	A615 F742 S743 T744 A748 V749 E750 M819	A615-V746 HydrophobicContact CB-CG1 3.96Å; F742-V746 HydrophobicContact CE1-CG2 4.46Å; S743-V746 WeakPolarHBondContact O-CB 3.48Å; S743-V746 PolarHBondContact O-N 3.5Å; T744-V746 VanDerWaalsContact C-N 3.35Å; T744-V746 PolarHBondContact O-N 3.21Å; V746-A748 VanDerWaalsContact C-N 3.28Å; V746-A748 PolarHBondContact O-N 3.16Å; V746-V749 PolarHBondContact O-N 3.36Å; V746-E750 PolarHBondContact O-N 2.94Å; V746-M819 HydrophobicContact CG1-CE 3.61Å
747	A	92.2	Very high	89.9	Confident	27 Å²	27	20 Å²	20	22%	0.223	12%	0.117	C	C	.	.	H	α-helix	trans	-64.6	-33.6	177.5	0	0	0	0	0	112.5	K330 S743 T744 I745 E751	K330-A747 HydrophobicContact CD-CB 4.37Å; S743-A747 PolarHBondContact O-N 3.47Å; T744-A747 PolarHBondContact O-N 2.98Å; I745-A747 PolarHBondContact O-N 3.32Å; A747-E751 PolarHBondContact O-N 2.76Å; A747-E751 VanDerWaalsContact O-N 3.16Å
748	A	93.4	Very high	89.8	Confident	2 Å²	2	20.4 Å²	20.4	2%	0.017	12%	0.119	C	C	.	.	H	α-helix	trans	-71.1	-44.4	174.7	0	0	0	0	0	110.5	M327 A332 L343 M735 T744 I745 V746 E750 E751 G752	M327-A748 WeakPolarHBondContact CE-O 3.3Å; A332-A748 HydrophobicContact CB-CB 4.02Å; L343-A748 HydrophobicContact CD2-CB 3.35Å; L343-A748 VanDerWaalsContact CD2-O 3.28Å; L343-A748 WeakPolarHBondContact CD2-O 3.49Å; M735-A748 HydrophobicContact CE-CB 4.24Å; M735-A748 HydrophobicContact SD-CB 4.2Å; T744-A748 VanDerWaalsContact O-CB 3.27Å; T744-A748 WeakPolarHBondContact O-CB 3.34Å; T744-A748 PolarHBondContact O-N 3.38Å; I745-A748 PolarHBondContact O-N 3.3Å; V746-A748 VanDerWaalsContact C-N 3.28Å; V746-A748 PolarHBondContact O-N 3.16Å; A748-E750 VanDerWaalsContact C-N 3.29Å; A748-E750 PolarHBondContact O-N 3.34Å; A748-E751 CarbonylContact O-C 3.53Å; A748-E751 WeakPolarHBondContact O-CB 3.26Å; A748-E751 PolarHBondContact O-N 2.99Å; A748-E751 VanDerWaalsContact O-N 3.09Å; A748-G752 PolarHBondContact O-N 2.92Å
749	V	94.1	Very high	89.7	Confident	1 Å²	1	18 Å²	18	1%	0.006	10%	0.099	C	C	.	.	H	α-helix	trans	-57.5	-43.6	175.6	171	0	0	0	0	111.2	L343 I621 I745 V746 E751 G752 R753	L343-V749 HydrophobicContact CD1-CG2 4.41Å; L343-V749 HydrophobicContact CD2-CG2 4.38Å; L343-V749 HydrophobicContact CG-CG2 3.92Å; I621-V749 HydrophobicContact CD1-CG1 3.73Å; I745-V749 HydrophobicContact CG2-CG2 4.42Å; I745-V749 WeakPolarHBondContact O-CG2 3.47Å; I745-V749 PolarHBondContact O-N 3.47Å; V746-V749 PolarHBondContact O-N 3.36Å; V749-E751 VanDerWaalsContact C-N 3.35Å; V749-E751 PolarHBondContact O-N 2.74Å; V749-G752 PolarHBondContact O-N 3.38Å; V749-R753 WeakPolarHBondContact O-CG 3.46Å; V749-R753 PolarHBondContact O-N 3.18Å
750	E	92.3	Very high	89.5	Confident	72 Å²	72	16.5 Å²	16.5	34%	0.336	9%	0.09	S	C	.	.	H	α-helix	trans	-56.7	-47.9	174.2	-178	-178.9	176.3	0	0	111.6	V746 A748 G752 R753 A754 I818 M819	V746-E750 PolarHBondContact O-N 2.94Å; A748-E750 VanDerWaalsContact C-N 3.29Å; A748-E750 PolarHBondContact O-N 3.34Å; E750-G752 PolarHBondContact O-N 3.37Å; E750-R753 PolarHBondContact O-N 2.93Å; E750-A754 PolarHBondContact O-N 2.94Å; E750-I818 HydrophobicContact CG-CG2 3.87Å; E750-M819 HydrophobicContact CB-CG 4.02Å; E750-M819 HydrophobicContact CB-SD 3.81Å; E750-M819 HydrophobicContact CG-CG 3.89Å; E750-M819 HydrophobicContact CG-SD 4.28Å
751	E	91.1	Very high	89.6	Confident	19 Å²	19	15.7 Å²	15.7	9%	0.089	9%	0.086	C	C	.	.	H	α-helix	trans	-65.3	-38.5	177.9	-163.8	75.8	-149.5	0	0	111.8	R326 M327 K330 A747 A748 V749 A754 I755	R326-E751 WeakPolarHBondContact CD-OE1 3.49Å; R326-E751 IonicContact CZ-OE1 3.66Å; R326-E751 VanDerWaalsContact CZ-OE1 3.27Å; R326-E751 IonicContact NE-OE1 2.84Å; R326-E751 PolarHBondContact NE-OE1 3.48Å; R326-E751 IonicContact NH1-OE1 3.37Å; R326-E751 PolarHBondContact NH1-OE1 3.43Å; M327-E751 HydrophobicContact CE-CB 3.8Å; M327-E751 HydrophobicContact CE-CG 4.05Å; M327-E751 HydrophobicContact CG-CB 4.22Å; M327-E751 HydrophobicContact CG-CG 3.99Å; K330-E751 IonicContact NZ-OE2 2.83Å; K330-E751 PolarHBondContact NZ-OE2 2.98Å; A747-E751 PolarHBondContact O-N 2.76Å; A747-E751 VanDerWaalsContact O-N 3.16Å; A748-E751 CarbonylContact O-C 3.53Å; A748-E751 WeakPolarHBondContact O-CB 3.26Å; A748-E751 PolarHBondContact O-N 2.99Å; A748-E751 VanDerWaalsContact O-N 3.09Å; V749-E751 VanDerWaalsContact C-N 3.35Å; V749-E751 PolarHBondContact O-N 2.74Å; E751-A754 WeakPolarHBondContact O-CB 3.38Å; E751-A754 PolarHBondContact O-N 3.36Å; E751-I755 HydrophobicContact CG-CD1 3.94Å; E751-I755 WeakPolarHBondContact O-CB 3.41Å; E751-I755 WeakPolarHBondContact O-CD1 3.41Å; E751-I755 VanDerWaalsContact O-CG1 3.23Å; E751-I755 WeakPolarHBondContact O-CG1 3.39Å; E751-I755 PolarHBondContact O-N 3.46Å
752	G	92.2	Very high	89.9	Confident	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.1	-40.8	176.2	0	0	0	0	0	112.4	V340 A748 V749 E750 I755 Y756	V340-G752 VanDerWaalsContact O-CA 3.24Å; V340-G752 WeakPolarHBondContact O-CA 3.32Å; A748-G752 PolarHBondContact O-N 2.92Å; V749-G752 PolarHBondContact O-N 3.38Å; E750-G752 PolarHBondContact O-N 3.37Å; G752-I755 PolarHBondContact O-N 2.87Å; G752-Y756 PolarHBondContact O-N 2.8Å
753	R	91.2	Very high	89.8	Confident	17 Å²	17	14.8 Å²	14.8	6%	0.064	8%	0.081	C	C	.	.	H	α-helix	trans	-62.5	-45.2	173.2	-70.8	179.1	179.8	-160.1	-0.7	111.4	G344 A619 V749 E750 I755 Y756 D757 I818 K821	G344-R753 VanDerWaalsContact O-CG 3.3Å; G344-R753 WeakPolarHBondContact O-CG 3.5Å; A619-R753 PolarHBondContact O-NH2 2.81Å; V749-R753 WeakPolarHBondContact O-CG 3.46Å; V749-R753 PolarHBondContact O-N 3.18Å; E750-R753 PolarHBondContact O-N 2.93Å; R753-I755 PolarHBondContact O-N 3.04Å; R753-Y756 PolarHBondContact O-N 3.38Å; R753-D757 PolarHBondContact O-N 3.31Å; R753-I818 HydrophobicContact CB-CD1 3.92Å; R753-I818 HydrophobicContact CB-CG1 3.58Å; R753-I818 PolarHBondContact NH1-O 3.41Å; R753-K821 PolarHBondContact NH1-O 2.93Å
754	A	88.8	Confident	89.4	Confident	2 Å²	2	13.2 Å²	13.2	2%	0.017	7%	0.069	C	C	.	.	H	α-helix	trans	-61.9	-43.3	177.5	0	0	0	0	0	112.3	E750 E751 Y756 D757 N758 P814	E750-A754 PolarHBondContact O-N 2.94Å; E751-A754 WeakPolarHBondContact O-CB 3.38Å; E751-A754 PolarHBondContact O-N 3.36Å; A754-Y756 VanDerWaalsContact C-N 3.34Å; A754-Y756 PolarHBondContact O-N 3.39Å; A754-D757 PolarHBondContact O-N 2.87Å; A754-N758 WeakPolarHBondContact O-CB 3.27Å; A754-N758 PolarHBondContact O-N 3.49Å; A754-N758 PolarHBondContact O-OD1 2.63Å; A754-P814 HydrophobicContact CB-CB 3.76Å
755	I	89	Confident	89.3	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.5	-40.7	177.7	-69.4	163.8	0	0	0	110.4	L320 G323 M327 V340 E751 G752 R753 N758 M759	L320-I755 HydrophobicContact CD2-CG2 4.17Å; G323-I755 VanDerWaalsContact CA-CD1 3.44Å; M327-I755 HydrophobicContact CE-CD1 4.2Å; V340-I755 HydrophobicContact CG1-CB 4.42Å; V340-I755 HydrophobicContact CG1-CD1 3.29Å; V340-I755 HydrophobicContact CG1-CG1 4.43Å; V340-I755 HydrophobicContact CG1-CG2 4.18Å; E751-I755 HydrophobicContact CG-CD1 3.94Å; E751-I755 WeakPolarHBondContact O-CB 3.41Å; E751-I755 WeakPolarHBondContact O-CD1 3.41Å; E751-I755 VanDerWaalsContact O-CG1 3.23Å; E751-I755 WeakPolarHBondContact O-CG1 3.39Å; E751-I755 PolarHBondContact O-N 3.46Å; G752-I755 PolarHBondContact O-N 2.87Å; R753-I755 PolarHBondContact O-N 3.04Å; I755-N758 PolarHBondContact O-N 3.02Å; I755-M759 HydrophobicContact CG2-CE 3.98Å; I755-M759 HydrophobicContact CG2-CG 4.29Å; I755-M759 HydrophobicContact CG2-SD 4.28Å; I755-M759 WeakPolarHBondContact O-CB 3.14Å; I755-M759 VanDerWaalsContact O-CG 3.25Å; I755-M759 WeakPolarHBondContact O-CG 3.43Å; I755-M759 PolarHBondContact O-N 3.49Å
756	Y	88	Confident	89.1	Confident	11 Å²	11	13 Å²	13	4%	0.043	7%	0.068	C	C	.	.	H	α-helix	trans	-60.4	-47.3	175	179.7	-96.6	0	0	0	112.6	E341 G752 R753 A754 N758 M759 K760 R824 L830	E341-Y756 HydrophobicContact CG-CD2 3.8Å; E341-Y756 WeakPolarHBondContact OE1-CD2 3.48Å; G752-Y756 PolarHBondContact O-N 2.8Å; R753-Y756 PolarHBondContact O-N 3.38Å; A754-Y756 VanDerWaalsContact C-N 3.34Å; A754-Y756 PolarHBondContact O-N 3.39Å; Y756-N758 VanDerWaalsContact C-N 3.31Å; Y756-N758 PolarHBondContact O-N 2.78Å; Y756-M759 HydrophobicContact CD2-CE 4.36Å; Y756-M759 PolarHBondContact O-N 2.83Å; Y756-M759 VanDerWaalsContact O-N 3.16Å; Y756-K760 HydrophobicContact CE1-CD 4.13Å; Y756-K760 WeakPolarHBondContact O-CB 2.93Å; Y756-K760 PolarHBondContact O-N 3.23Å; Y756-R824 VanDerWaalsContact CE1-CD 3.46Å; Y756-R824 PolarHBondContact OH-NH1 3.37Å; Y756-L830 HydrophobicContact CE2-CD2 4.39Å
757	D	85.2	Confident	88.7	Confident	58 Å²	58	13.1 Å²	13.1	31%	0.31	7%	0.068	S	C	.	.	H	α-helix	trans	-61	-42.7	178.6	-75.1	-15.9	0	0	0	111.2	R753 A754 M759 K760 Q761 I818	R753-D757 PolarHBondContact O-N 3.31Å; A754-D757 PolarHBondContact O-N 2.87Å; D757-M759 PolarHBondContact O-N 2.92Å; D757-K760 WeakPolarHBondContact O-CB 3.48Å; D757-K760 PolarHBondContact O-N 3.06Å; D757-Q761 WeakPolarHBondContact O-CB 3.29Å; D757-Q761 PolarHBondContact O-N 2.93Å; D757-I818 WeakPolarHBondContact OD2-CD1 3.28Å
758	N	88.4	Confident	88.4	Confident	8 Å²	8	11.8 Å²	11.8	4%	0.043	6%	0.057	C	C	.	.	H	α-helix	trans	-63.5	-40.8	175.2	-66.9	-0.3	0	0	0	112	A754 I755 Y756 Q761 F762 G810 N812	A754-N758 WeakPolarHBondContact O-CB 3.27Å; A754-N758 PolarHBondContact O-N 3.49Å; A754-N758 PolarHBondContact O-OD1 2.63Å; I755-N758 PolarHBondContact O-N 3.02Å; Y756-N758 VanDerWaalsContact C-N 3.31Å; Y756-N758 PolarHBondContact O-N 2.78Å; N758-Q761 WeakPolarHBondContact O-CB 3.38Å; N758-Q761 PolarHBondContact O-N 2.86Å; N758-F762 WeakPolarHBondContact O-CD1 3.46Å; N758-F762 PolarHBondContact O-N 2.88Å; N758-G810 PolarHBondContact ND2-O 3.48Å; N758-N812 PolarHBondContact ND2-N 2.98Å; N758-N812 PolarHBondContact ND2-O 2.88Å; N758-N812 WeakPolarHBondContact OD1-CB 3.29Å
759	M	86.3	Confident	88.3	Confident	1 Å²	1	11.7 Å²	11.7	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-63.1	-47.7	175.4	-74.5	-169.9	-60.5	0	0	112.4	L250 I316 L320 E341 I755 Y756 D757 Q761 F762 I763	L250-M759 HydrophobicContact CD2-CE 3.83Å; L250-M759 HydrophobicContact CD2-SD 3.79Å; I316-M759 HydrophobicContact CG2-SD 4.37Å; L320-M759 HydrophobicContact CD2-CE 4.27Å; L320-M759 HydrophobicContact CD2-SD 3.85Å; L320-M759 HydrophobicContact CG-SD 4.27Å; E341-M759 HydrophobicContact CB-CE 3.82Å; E341-M759 HydrophobicContact CG-CE 3.57Å; I755-M759 HydrophobicContact CG2-CE 3.98Å; I755-M759 HydrophobicContact CG2-CG 4.29Å; I755-M759 HydrophobicContact CG2-SD 4.28Å; I755-M759 WeakPolarHBondContact O-CB 3.14Å; I755-M759 VanDerWaalsContact O-CG 3.25Å; I755-M759 WeakPolarHBondContact O-CG 3.43Å; I755-M759 PolarHBondContact O-N 3.49Å; Y756-M759 HydrophobicContact CD2-CE 4.36Å; Y756-M759 PolarHBondContact O-N 2.83Å; Y756-M759 VanDerWaalsContact O-N 3.16Å; D757-M759 PolarHBondContact O-N 2.92Å; M759-Q761 PolarHBondContact O-N 3.23Å; M759-F762 HydrophobicContact CB-CE1 3.9Å; M759-F762 HydrophobicContact CB-CZ 3.87Å; M759-F762 HydrophobicContact CG-CE1 3.55Å; M759-F762 HydrophobicContact CG-CZ 3.56Å; M759-F762 PolarHBondContact O-N 3.16Å; M759-I763 HydrophobicContact CB-CD1 4.45Å; M759-I763 VanDerWaalsContact O-CB 3.3Å; M759-I763 WeakPolarHBondContact O-CB 3.41Å; M759-I763 WeakPolarHBondContact O-CD1 3.24Å; M759-I763 WeakPolarHBondContact O-CG1 3.18Å; M759-I763 PolarHBondContact O-N 2.81Å
760	K	83.9	Confident	88	Confident	20 Å²	20	12 Å²	12	9%	0.087	6%	0.058	C	C	.	.	H	α-helix	trans	-53.4	-42.6	175.4	-151.1	-173.6	-169.3	179.3	0	109.7	Y756 D757 R764 E828 L830	Y756-K760 HydrophobicContact CE1-CD 4.13Å; Y756-K760 WeakPolarHBondContact O-CB 2.93Å; Y756-K760 PolarHBondContact O-N 3.23Å; D757-K760 WeakPolarHBondContact O-CB 3.48Å; D757-K760 PolarHBondContact O-N 3.06Å; K760-R764 VanDerWaalsContact CD-CZ 3.45Å; K760-R764 WeakPolarHBondContact O-CB 3.39Å; K760-R764 WeakPolarHBondContact O-CD 3.09Å; K760-R764 WeakPolarHBondContact O-CG 3.45Å; K760-R764 PolarHBondContact O-N 3.45Å; K760-R764 VanDerWaalsContact O-N 3.07Å; K760-E828 IonicContact NZ-OE1 2.99Å; K760-E828 PolarHBondContact NZ-OE1 3.18Å; K760-L830 WeakPolarHBondContact CE-O 3.29Å; K760-L830 HydrophobicContact CG-CD2 4.44Å
761	Q	85.5	Confident	87.9	Confident	10 Å²	10	9.9 Å²	9.9	5%	0.047	5%	0.048	C	C	.	.	H	α-helix	trans	-67.4	-46.4	-177.4	-164.6	60.1	48.9	0	0	113.8	D757 N758 M759 R764 Y765 S917	D757-Q761 WeakPolarHBondContact O-CB 3.29Å; D757-Q761 PolarHBondContact O-N 2.93Å; N758-Q761 WeakPolarHBondContact O-CB 3.38Å; N758-Q761 PolarHBondContact O-N 2.86Å; M759-Q761 PolarHBondContact O-N 3.23Å; Q761-R764 PolarHBondContact O-N 3.27Å; Q761-Y765 PolarHBondContact O-N 3.47Å; Q761-Y765 VanDerWaalsContact O-N 3.09Å; Q761-S917 WeakPolarHBondContact CG-O 3.28Å; Q761-S917 PolarHBondContact NE2-O 3.49Å; Q761-S917 VanDerWaalsContact NE2-O 3.17Å
762	F	89.7	Confident	87.8	Confident	0 Å²	0	9 Å²	9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-75.2	-31	177.3	71.7	-117.7	0	0	0	113.1	L312 V315 I316 C319 N758 M759 R764 Y765 L766 A806 L809	L312-F762 HydrophobicContact CD1-CD2 4.26Å; L312-F762 HydrophobicContact CD1-CE2 3.91Å; V315-F762 HydrophobicContact CB-CE2 4.44Å; V315-F762 HydrophobicContact CG1-CD1 4.27Å; V315-F762 HydrophobicContact CG1-CD2 3.71Å; V315-F762 HydrophobicContact CG1-CE1 4.18Å; V315-F762 HydrophobicContact CG1-CE2 3.71Å; V315-F762 HydrophobicContact CG1-CG 4.05Å; V315-F762 HydrophobicContact CG1-CZ 3.96Å; I316-F762 HydrophobicContact CB-CZ 4.48Å; I316-F762 HydrophobicContact CG1-CE2 3.69Å; I316-F762 HydrophobicContact CG1-CZ 3.78Å; C319-F762 HydrophobicContact CB-CE1 3.87Å; C319-F762 HydrophobicContact CB-CZ 4.3Å; N758-F762 WeakPolarHBondContact O-CD1 3.46Å; N758-F762 PolarHBondContact O-N 2.88Å; M759-F762 HydrophobicContact CB-CE1 3.9Å; M759-F762 HydrophobicContact CB-CZ 3.87Å; M759-F762 HydrophobicContact CG-CE1 3.55Å; M759-F762 HydrophobicContact CG-CZ 3.56Å; M759-F762 PolarHBondContact O-N 3.16Å; F762-R764 VanDerWaalsContact C-N 3.27Å; F762-R764 PolarHBondContact O-N 3.33Å; F762-Y765 WeakPolarHBondContact O-CB 3.43Å; F762-Y765 PolarHBondContact O-N 3.43Å; F762-L766 WeakPolarHBondContact O-CG 3.37Å; F762-L766 PolarHBondContact O-N 3.1Å; F762-A806 HydrophobicContact CB-CB 4.14Å; F762-A806 WeakPolarHBondContact CB-O 3.48Å; F762-L809 HydrophobicContact CB-CB 3.93Å; F762-L809 HydrophobicContact CB-CD1 4.06Å
763	I	86.4	Confident	87.8	Confident	3 Å²	3	9 Å²	9	2%	0.015	4%	0.044	C	C	.	.	H	α-helix	trans	-58.9	-46.3	173.3	-75.1	165.7	0	0	0	108.9	L312 M759 L766 I767 L830	L312-I763 HydrophobicContact CD1-CG1 3.73Å; M759-I763 HydrophobicContact CB-CD1 4.45Å; M759-I763 VanDerWaalsContact O-CB 3.3Å; M759-I763 WeakPolarHBondContact O-CB 3.41Å; M759-I763 WeakPolarHBondContact O-CD1 3.24Å; M759-I763 WeakPolarHBondContact O-CG1 3.18Å; M759-I763 PolarHBondContact O-N 2.81Å; I763-L766 PolarHBondContact O-N 3.36Å; I763-I767 HydrophobicContact CG2-CD1 3.54Å; I763-I767 HydrophobicContact CG2-CG1 4.46Å; I763-I767 WeakPolarHBondContact O-CB 3.31Å; I763-I767 WeakPolarHBondContact O-CD1 3.37Å; I763-I767 WeakPolarHBondContact O-CG1 3.47Å; I763-I767 PolarHBondContact O-N 3.34Å; I763-L830 HydrophobicContact CD1-CD1 4.48Å; I763-L830 HydrophobicContact CD1-CD2 4.15Å
764	R	82.4	Confident	87.7	Confident	3 Å²	3	9 Å²	9	1%	0.011	5%	0.046	C	C	.	.	H	α-helix	trans	-63.8	-40.8	177.6	-72	160.8	-178.5	-173.9	-18.1	112.7	K760 Q761 F762 S768 L835 Y839 E920	K760-R764 VanDerWaalsContact CD-CZ 3.45Å; K760-R764 WeakPolarHBondContact O-CB 3.39Å; K760-R764 WeakPolarHBondContact O-CD 3.09Å; K760-R764 WeakPolarHBondContact O-CG 3.45Å; K760-R764 PolarHBondContact O-N 3.45Å; K760-R764 VanDerWaalsContact O-N 3.07Å; Q761-R764 PolarHBondContact O-N 3.27Å; F762-R764 VanDerWaalsContact C-N 3.27Å; F762-R764 PolarHBondContact O-N 3.33Å; R764-S768 WeakPolarHBondContact O-CB 3.34Å; R764-S768 PolarHBondContact O-N 3.15Å; R764-L835 HydrophobicContact CG-CD2 4.13Å; R764-Y839 HydrophobicContact CB-CD2 4.35Å; R764-Y839 HydrophobicContact CB-CE1 4.49Å; R764-Y839 HydrophobicContact CB-CE2 3.55Å; R764-Y839 HydrophobicContact CG-CD2 4.47Å; R764-Y839 HydrophobicContact CG-CE2 3.63Å; R764-E920 IonicContact CZ-OE1 2.72Å; R764-E920 IonicContact CZ-OE2 2.9Å; R764-E920 IonicContact NH1-OE1 3.98Å; R764-E920 IonicContact NH1-OE2 3.46Å; R764-E920 PolarHBondContact NH1-OE2 2.99Å; R764-E920 VanDerWaalsContact NH2-CD 3.29Å; R764-E920 IonicContact NH2-OE1 3.57Å; R764-E920 PolarHBondContact NH2-OE1 3.06Å; R764-E920 VanDerWaalsContact NH2-OE1 3.09Å; R764-E920 IonicContact NH2-OE2 2.65Å; R764-E920 PolarHBondContact NH2-OE2 2.96Å
765	Y	89.3	Confident	87.8	Confident	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-58.8	-54.4	175.2	162.5	-117.9	0	0	0	111.4	Q761 F762 I767 S768 S769 D802 P805 A806 L809 E910 N913 A914	Q761-Y765 PolarHBondContact O-N 3.47Å; Q761-Y765 VanDerWaalsContact O-N 3.09Å; F762-Y765 WeakPolarHBondContact O-CB 3.43Å; F762-Y765 PolarHBondContact O-N 3.43Å; Y765-I767 PolarHBondContact O-N 3.05Å; Y765-S768 WeakPolarHBondContact O-CB 3.5Å; Y765-S768 PolarHBondContact O-N 3.01Å; Y765-S768 VanDerWaalsContact O-N 3.15Å; Y765-S769 PolarHBondContact O-N 2.58Å; Y765-S769 VanDerWaalsContact O-N 3.12Å; Y765-D802 HydrophobicContact CE1-CB 4.16Å; Y765-D802 WeakPolarHBondContact OH-CA 3.38Å; Y765-D802 VanDerWaalsContact OH-CG 3.3Å; Y765-D802 PolarHBondContact OH-OD1 3.27Å; Y765-P805 HydrophobicContact CE1-CB 4.08Å; Y765-A806 HydrophobicContact CD1-CB 3.93Å; Y765-A806 HydrophobicContact CE1-CB 3.99Å; Y765-L809 HydrophobicContact CD1-CD1 4Å; Y765-L809 HydrophobicContact CG-CD1 4.11Å; Y765-E910 HydrophobicContact CE2-CB 4.27Å; Y765-E910 WeakPolarHBondContact CE2-O 3.35Å; Y765-E910 VanDerWaalsContact CE2-OE2 3.29Å; Y765-E910 WeakPolarHBondContact CE2-OE2 3.4Å; Y765-N913 HydrophobicContact CD2-CB 4.38Å; Y765-N913 HydrophobicContact CE2-CB 4.32Å; Y765-A914 HydrophobicContact CD2-CB 4.39Å; Y765-A914 HydrophobicContact CE2-CB 3.93Å
766	L	89.4	Confident	87.9	Confident	4 Å²	4	10.1 Å²	10.1	2%	0.021	5%	0.053	C	C	.	.	H	α-helix	trans	-58.7	-46.6	179.3	-69.7	174.4	0	0	0	111.4	L312 F762 I763 S768 S769 N770 D802 A806	L312-L766 HydrophobicContact CB-CD1 4.28Å; L312-L766 HydrophobicContact CD1-CD1 3.82Å; F762-L766 WeakPolarHBondContact O-CG 3.37Å; F762-L766 PolarHBondContact O-N 3.1Å; I763-L766 PolarHBondContact O-N 3.36Å; L766-S768 VanDerWaalsContact C-N 3.3Å; L766-S768 PolarHBondContact O-N 3.46Å; L766-S769 VanDerWaalsContact O-CB 3.31Å; L766-S769 WeakPolarHBondContact O-CB 3.45Å; L766-S769 PolarHBondContact O-N 2.7Å; L766-S769 VanDerWaalsContact O-N 3.09Å; L766-N770 PolarHBondContact O-N 3.44Å; L766-N770 PolarHBondContact O-OD1 3.39Å; L766-D802 HydrophobicContact CD2-CB 3.81Å; L766-A806 HydrophobicContact CD1-CB 3.99Å; L766-A806 HydrophobicContact CD2-CB 3.89Å; L766-A806 HydrophobicContact CG-CB 3.92Å
767	I	84.1	Confident	87.9	Confident	17 Å²	17	10.3 Å²	10.3	9%	0.087	6%	0.055	C	C	.	.	H	α-helix	trans	-62.8	-37.8	179.1	-67.7	167.8	0	0	0	111.9	F257 I763 Y765 S769 N770 I771 I831	F257-I767 HydrophobicContact CD2-CD1 4.29Å; F257-I767 HydrophobicContact CE1-CD1 4.07Å; F257-I767 HydrophobicContact CE1-CG1 4.44Å; F257-I767 HydrophobicContact CE2-CD1 3.41Å; F257-I767 VanDerWaalsContact CE2-CD1 3.41Å; F257-I767 HydrophobicContact CE2-CG1 4.18Å; F257-I767 HydrophobicContact CZ-CD1 3.28Å; F257-I767 HydrophobicContact CZ-CG1 3.65Å; I763-I767 HydrophobicContact CG2-CD1 3.54Å; I763-I767 HydrophobicContact CG2-CG1 4.46Å; I763-I767 WeakPolarHBondContact O-CB 3.31Å; I763-I767 WeakPolarHBondContact O-CD1 3.37Å; I763-I767 WeakPolarHBondContact O-CG1 3.47Å; I763-I767 PolarHBondContact O-N 3.34Å; Y765-I767 PolarHBondContact O-N 3.05Å; I767-S769 VanDerWaalsContact C-N 3.27Å; I767-S769 PolarHBondContact O-N 3.19Å; I767-N770 PolarHBondContact O-N 2.83Å; I767-I771 HydrophobicContact CG2-CD1 3.85Å; I767-I771 HydrophobicContact CG2-CG1 4.32Å; I767-I771 VanDerWaalsContact O-CG1 3.24Å; I767-I771 WeakPolarHBondContact O-CG1 3.38Å; I767-I771 PolarHBondContact O-N 3.32Å; I767-I831 HydrophobicContact CD1-CD1 3.75Å; I767-I831 HydrophobicContact CG2-CD1 4.1Å
768	S	86.4	Confident	87.9	Confident	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-60.6	-40.1	175.7	-174.8	0	0	0	0	111.5	R764 Y765 L766 G772 I842 N913	R764-S768 WeakPolarHBondContact O-CB 3.34Å; R764-S768 PolarHBondContact O-N 3.15Å; Y765-S768 WeakPolarHBondContact O-CB 3.5Å; Y765-S768 PolarHBondContact O-N 3.01Å; Y765-S768 VanDerWaalsContact O-N 3.15Å; L766-S768 VanDerWaalsContact C-N 3.3Å; L766-S768 PolarHBondContact O-N 3.46Å; S768-G772 PolarHBondContact O-N 3.08Å; S768-I842 WeakPolarHBondContact OG-CG2 3.38Å; S768-N913 PolarHBondContact OG-ND2 2.69Å
769	S	90	Very high	87.9	Confident	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-63	-55.1	175.4	-174.5	0	0	0	0	110.7	Y765 L766 I767 I771 G772 E773 D802 E910	Y765-S769 PolarHBondContact O-N 2.58Å; Y765-S769 VanDerWaalsContact O-N 3.12Å; L766-S769 VanDerWaalsContact O-CB 3.31Å; L766-S769 WeakPolarHBondContact O-CB 3.45Å; L766-S769 PolarHBondContact O-N 2.7Å; L766-S769 VanDerWaalsContact O-N 3.09Å; I767-S769 VanDerWaalsContact C-N 3.27Å; I767-S769 PolarHBondContact O-N 3.19Å; S769-I771 VanDerWaalsContact C-N 3.29Å; S769-I771 PolarHBondContact O-N 2.84Å; S769-G772 VanDerWaalsContact O-CA 3.32Å; S769-G772 WeakPolarHBondContact O-CA 3.2Å; S769-G772 PolarHBondContact O-N 3.33Å; S769-E773 PolarHBondContact O-N 3.38Å; S769-D802 VanDerWaalsContact CB-OD2 3.31Å; S769-D802 WeakPolarHBondContact CB-OD2 3.3Å; S769-D802 PolarHBondContact OG-OD2 3.09Å; S769-E910 WeakPolarHBondContact CA-OE1 3.28Å; S769-E910 VanDerWaalsContact CB-CD 3.41Å; S769-E910 WeakPolarHBondContact CB-OE2 3.32Å; S769-E910 WeakPolarHBondContact OG-CG 3.46Å
770	N	89.2	Confident	87.9	Confident	7 Å²	7	12.8 Å²	12.8	4%	0.037	7%	0.065	C	C	.	.	H	α-helix	trans	-57.3	-37.7	179.3	-70.4	97.4	0	0	0	113.2	A306 I308 L766 I767 G772 E773 V774 N798	A306-N770 PolarHBondContact O-ND2 3.11Å; I308-N770 PolarHBondContact O-ND2 3Å; L766-N770 PolarHBondContact O-N 3.44Å; L766-N770 PolarHBondContact O-OD1 3.39Å; I767-N770 PolarHBondContact O-N 2.83Å; N770-G772 VanDerWaalsContact C-N 3.29Å; N770-G772 PolarHBondContact O-N 3Å; N770-E773 PolarHBondContact O-N 2.65Å; N770-V774 VanDerWaalsContact O-CG2 3.29Å; N770-V774 WeakPolarHBondContact O-CG2 3.15Å; N770-V774 PolarHBondContact O-N 3.12Å; N770-N798 PolarHBondContact ND2-ND2 2.84Å
771	I	88.6	Confident	87.8	Confident	27 Å²	27	12.4 Å²	12.4	14%	0.138	7%	0.065	C	C	.	.	H	α-helix	trans	-60.1	-43.4	173.3	-71.6	166.8	0	0	0	110.4	I767 S769 V774 V775 M840	I767-I771 HydrophobicContact CG2-CD1 3.85Å; I767-I771 HydrophobicContact CG2-CG1 4.32Å; I767-I771 VanDerWaalsContact O-CG1 3.24Å; I767-I771 WeakPolarHBondContact O-CG1 3.38Å; I767-I771 PolarHBondContact O-N 3.32Å; S769-I771 VanDerWaalsContact C-N 3.29Å; S769-I771 PolarHBondContact O-N 2.84Å; I771-V774 PolarHBondContact O-N 3.28Å; I771-V775 VanDerWaalsContact O-CG2 3.31Å; I771-V775 WeakPolarHBondContact O-CG2 3.25Å; I771-V775 PolarHBondContact O-N 2.91Å; I771-M840 HydrophobicContact CB-CE 4.36Å; I771-M840 HydrophobicContact CD1-CE 4.15Å; I771-M840 HydrophobicContact CG1-CE 4.29Å; I771-M840 HydrophobicContact CG2-CE 3.16Å
772	G	90.7	Very high	87.6	Confident	0 Å²	0	14 Å²	14	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.4	-42.5	176.9	0	0	0	0	0	113.4	S768 S769 N770 V775 C776 G843 G847	S768-G772 PolarHBondContact O-N 3.08Å; S769-G772 VanDerWaalsContact O-CA 3.32Å; S769-G772 WeakPolarHBondContact O-CA 3.2Å; S769-G772 PolarHBondContact O-N 3.33Å; N770-G772 VanDerWaalsContact C-N 3.29Å; N770-G772 PolarHBondContact O-N 3Å; G772-V775 PolarHBondContact O-N 3.37Å; G772-C776 WeakPolarHBondContact O-CB 3.37Å; G772-C776 PolarHBondContact O-N 3.17Å; G772-G843 VanDerWaalsContact CA-O 3.22Å; G772-G843 WeakPolarHBondContact CA-O 3.5Å; G772-G847 WeakPolarHBondContact O-CA 3.39Å
773	E	91.5	Very high	87.4	Confident	1 Å²	1	17.1 Å²	17.1	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-62.2	-44.4	175.4	-61.1	-175.6	160.3	0	0	111.8	A306 S769 N770 V775 C776 I777 L794 N798 L906	A306-E773 HydrophobicContact CB-CB 4.07Å; S769-E773 PolarHBondContact O-N 3.38Å; N770-E773 PolarHBondContact O-N 2.65Å; E773-V775 PolarHBondContact O-N 3.43Å; E773-C776 WeakPolarHBondContact O-CB 3.3Å; E773-C776 PolarHBondContact O-N 3.23Å; E773-I777 PolarHBondContact O-N 2.99Å; E773-L794 HydrophobicContact CB-CD2 4.14Å; E773-L794 HydrophobicContact CG-CD2 3.85Å; E773-N798 PolarHBondContact OE1-OD1 3.44Å; E773-N798 PolarHBondContact OE2-ND2 3.25Å; E773-L906 HydrophobicContact CG-CD1 4.4Å; E773-L906 HydrophobicContact CG-CD2 4.13Å
774	V	89	Confident	87	Confident	17 Å²	17	18.3 Å²	18.3	10%	0.103	11%	0.11	C	C	.	.	H	α-helix	trans	-62.1	-43.6	176	170.8	0	0	0	0	111.3	I268 L303 A306 A307 N770 I771 C776 I777 F778	I268-V774 HydrophobicContact CD1-CG1 3.8Å; L303-V774 HydrophobicContact CD1-CG1 4.23Å; A306-V774 HydrophobicContact CB-CG2 4.49Å; A307-V774 HydrophobicContact CB-CG2 3.61Å; N770-V774 VanDerWaalsContact O-CG2 3.29Å; N770-V774 WeakPolarHBondContact O-CG2 3.15Å; N770-V774 PolarHBondContact O-N 3.12Å; I771-V774 PolarHBondContact O-N 3.28Å; V774-C776 VanDerWaalsContact C-N 3.33Å; V774-C776 PolarHBondContact O-N 3Å; V774-I777 PolarHBondContact O-N 2.9Å; V774-F778 WeakPolarHBondContact O-CB 3.47Å; V774-F778 PolarHBondContact O-N 2.96Å
775	V	90.2	Very high	87.2	Confident	25 Å²	25	19.1 Å²	19.1	15%	0.152	11%	0.114	C	C	.	.	H	α-helix	trans	-64	-39.6	176	174	0	0	0	0	110.9	I771 G772 E773 F778 L779 I844	I771-V775 VanDerWaalsContact O-CG2 3.31Å; I771-V775 WeakPolarHBondContact O-CG2 3.25Å; I771-V775 PolarHBondContact O-N 2.91Å; G772-V775 PolarHBondContact O-N 3.37Å; E773-V775 PolarHBondContact O-N 3.43Å; V775-F778 PolarHBondContact O-N 3.44Å; V775-L779 HydrophobicContact CG1-CD1 3.68Å; V775-L779 HydrophobicContact CG1-CG 4.04Å; V775-L779 VanDerWaalsContact O-CB 3.31Å; V775-L779 WeakPolarHBondContact O-CB 3.31Å; V775-L779 VanDerWaalsContact O-CG 3.27Å; V775-L779 WeakPolarHBondContact O-CG 3.31Å; V775-L779 PolarHBondContact O-N 3.27Å; V775-I844 HydrophobicContact CG2-CG1 4.25Å
776	C	91.8	Very high	87	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.007	12%	0.118	C	C	.	.	H	α-helix	trans	-58	-53	176.3	-179.8	0	0	0	0	111.6	G772 E773 V774 L779 T780 T850 V851	G772-C776 WeakPolarHBondContact O-CB 3.37Å; G772-C776 PolarHBondContact O-N 3.17Å; E773-C776 WeakPolarHBondContact O-CB 3.3Å; E773-C776 PolarHBondContact O-N 3.23Å; V774-C776 VanDerWaalsContact C-N 3.33Å; V774-C776 PolarHBondContact O-N 3Å; C776-L779 PolarHBondContact O-N 3.42Å; C776-T780 WeakPolarHBondContact O-CB 3.5Å; C776-T780 PolarHBondContact O-N 2.68Å; C776-T780 PolarHBondContact O-OG1 3.2Å; C776-T850 WeakPolarHBondContact CB-OG1 3.29Å; C776-T850 PolarHBondContact SG-OG1 2.83Å; C776-V851 HydrophobicContact CB-CG2 4.42Å; C776-V851 WeakPolarHBondContact O-CG2 3.33Å
777	I	87.2	Confident	86.7	Confident	15 Å²	15	22.8 Å²	22.8	8%	0.077	13%	0.132	C	C	.	.	H	α-helix	trans	-63.8	-45.4	179.3	-64.6	176.6	0	0	0	110.4	I299 A302 L303 A306 E773 V774 L779 T780 A781 L794	I299-I777 HydrophobicContact CG2-CG2 4.12Å; A302-I777 HydrophobicContact CB-CD1 4.35Å; L303-I777 HydrophobicContact CB-CG2 4.25Å; L303-I777 HydrophobicContact CD1-CB 4.15Å; L303-I777 HydrophobicContact CD1-CG2 3.83Å; A306-I777 HydrophobicContact CB-CD1 3.46Å; A306-I777 VanDerWaalsContact CB-CD1 3.46Å; E773-I777 PolarHBondContact O-N 2.99Å; V774-I777 PolarHBondContact O-N 2.9Å; I777-L779 PolarHBondContact O-N 3.42Å; I777-T780 PolarHBondContact O-N 3.34Å; I777-A781 VanDerWaalsContact O-CB 3.31Å; I777-A781 WeakPolarHBondContact O-CB 3.5Å; I777-A781 PolarHBondContact O-N 3.35Å; I777-L794 HydrophobicContact CD1-CD1 3.72Å; I777-L794 HydrophobicContact CG1-CD1 4.49Å
778	F	85.8	Confident	86.9	Confident	69 Å²	69	22.1 Å²	22.1	30%	0.303	13%	0.129	S	C	.	.	H	α-helix	trans	-59	-47.3	179.3	178.2	-96.6	0	0	0	111.9	I268 V272 I275 V774 V775 A782	I268-F778 HydrophobicContact CG2-CD2 4.37Å; V272-F778 HydrophobicContact CG2-CD2 3.59Å; V272-F778 HydrophobicContact CG2-CE2 3.99Å; I275-F778 HydrophobicContact CD1-CE2 4.05Å; I275-F778 HydrophobicContact CD1-CZ 4.09Å; V774-F778 WeakPolarHBondContact O-CB 3.47Å; V774-F778 PolarHBondContact O-N 2.96Å; V775-F778 PolarHBondContact O-N 3.44Å; F778-A782 HydrophobicContact CE1-CB 4.41Å; F778-A782 HydrophobicContact CZ-CB 4.48Å; F778-A782 WeakPolarHBondContact O-CB 3.19Å; F778-A782 PolarHBondContact O-N 2.91Å
779	L	87.9	Confident	87.1	Confident	42 Å²	42	22.6 Å²	22.6	22%	0.22	13%	0.132	C	C	.	.	H	α-helix	trans	-65.8	-42.8	178.8	-74.8	176.4	0	0	0	111.9	V775 C776 I777 A781 A782 L783 V851	V775-L779 HydrophobicContact CG1-CD1 3.68Å; V775-L779 HydrophobicContact CG1-CG 4.04Å; V775-L779 VanDerWaalsContact O-CB 3.31Å; V775-L779 WeakPolarHBondContact O-CB 3.31Å; V775-L779 VanDerWaalsContact O-CG 3.27Å; V775-L779 WeakPolarHBondContact O-CG 3.31Å; V775-L779 PolarHBondContact O-N 3.27Å; C776-L779 PolarHBondContact O-N 3.42Å; I777-L779 PolarHBondContact O-N 3.42Å; L779-A781 VanDerWaalsContact C-N 3.35Å; L779-A781 PolarHBondContact O-N 3.08Å; L779-A782 PolarHBondContact O-N 2.97Å; L779-L783 VanDerWaalsContact O-CB 3.25Å; L779-L783 WeakPolarHBondContact O-CB 3.3Å; L779-L783 WeakPolarHBondContact O-CG 3.45Å; L779-L783 PolarHBondContact O-N 2.81Å; L779-V851 HydrophobicContact CB-CG2 4.11Å
780	T	87	Confident	86.8	Confident	8 Å²	8	23.5 Å²	23.5	5%	0.049	14%	0.136	C	C	.	.	H	α-helix	trans	-61	-46.7	178.5	-54.4	0	0	0	0	110.9	C776 I777 G784 M785 P786 A788 V851	C776-T780 WeakPolarHBondContact O-CB 3.5Å; C776-T780 PolarHBondContact O-N 2.68Å; C776-T780 PolarHBondContact O-OG1 3.2Å; I777-T780 PolarHBondContact O-N 3.34Å; T780-G784 PolarHBondContact O-N 2.95Å; T780-M785 HydrophobicContact CG2-CB 4.05Å; T780-M785 WeakPolarHBondContact CG2-O 3.4Å; T780-M785 PolarHBondContact O-N 3.02Å; T780-P786 WeakPolarHBondContact CG2-O 3.14Å; T780-A788 HydrophobicContact CG2-CB 4.49Å; T780-V851 WeakPolarHBondContact OG1-CG2 3.06Å
781	A	81.2	Confident	86.4	Confident	12 Å²	12	23.5 Å²	23.5	10%	0.099	14%	0.137	C	C	.	.	H	α-helix	trans	-68	-45.9	178.5	0	0	0	0	0	112.5	I299 I777 L779 L783 G784	I299-A781 HydrophobicContact CD1-CB 4.25Å; I299-A781 HydrophobicContact CG2-CB 3.98Å; I777-A781 VanDerWaalsContact O-CB 3.31Å; I777-A781 WeakPolarHBondContact O-CB 3.5Å; I777-A781 PolarHBondContact O-N 3.35Å; L779-A781 VanDerWaalsContact C-N 3.35Å; L779-A781 PolarHBondContact O-N 3.08Å; A781-L783 VanDerWaalsContact C-N 3.28Å; A781-L783 PolarHBondContact O-N 3.43Å; A781-G784 PolarHBondContact O-N 3.2Å
782	A	82.1	Confident	86.2	Confident	44 Å²	44	23 Å²	23	36%	0.364	14%	0.135	S	C	.	.	H	α-helix	trans	-66.9	-28.8	-178.4	0	0	0	0	0	113	F778 L779	F778-A782 HydrophobicContact CE1-CB 4.41Å; F778-A782 HydrophobicContact CZ-CB 4.48Å; F778-A782 WeakPolarHBondContact O-CB 3.19Å; F778-A782 PolarHBondContact O-N 2.91Å; L779-A782 PolarHBondContact O-N 2.97Å
783	L	84.6	Confident	86.1	Confident	65 Å²	65	23 Å²	23	34%	0.34	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-4.8	177.3	-61.7	175.9	0	0	0	113.3	L779 A781 M785 T873	L779-L783 VanDerWaalsContact O-CB 3.25Å; L779-L783 WeakPolarHBondContact O-CB 3.3Å; L779-L783 WeakPolarHBondContact O-CG 3.45Å; L779-L783 PolarHBondContact O-N 2.81Å; A781-L783 VanDerWaalsContact C-N 3.28Å; A781-L783 PolarHBondContact O-N 3.43Å; L783-M785 HydrophobicContact CB-CE 4.25Å; L783-M785 HydrophobicContact CB-CG 4.02Å; L783-M785 HydrophobicContact CB-SD 4.47Å; L783-M785 HydrophobicContact CD1-CE 3.89Å; L783-M785 HydrophobicContact CD1-SD 4.34Å; L783-M785 PolarHBondContact O-N 3.25Å; L783-T873 VanDerWaalsContact O-CB 3.25Å; L783-T873 WeakPolarHBondContact O-CB 3.49Å; L783-T873 WeakPolarHBondContact O-CG2 3.3Å
784	G	79.6	Confident	86	Confident	28 Å²	28	23 Å²	23	29%	0.289	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	22	-175.9	0	0	0	0	0	114.1	T780 A781 T873 H875	T780-G784 PolarHBondContact O-N 2.95Å; A781-G784 PolarHBondContact O-N 3.2Å; G784-T873 CarbonylContact O-C 3.5Å; G784-T873 WeakPolarHBondContact O-CA 3.43Å; G784-H875 PolarHBondContact O-CE1 2.84Å; G784-H875 VanDerWaalsContact O-CE1 3.32Å; G784-H875 PolarHBondContact O-ND1 2.7Å
785	M	85.1	Confident	85.8	Confident	20 Å²	20	22.4 Å²	22.4	10%	0.099	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-76.9	156.3	178.3	-68.5	-173.2	-179.1	0	0	111	T780 L783 V851 Y869 L872 T873	T780-M785 HydrophobicContact CG2-CB 4.05Å; T780-M785 WeakPolarHBondContact CG2-O 3.4Å; T780-M785 PolarHBondContact O-N 3.02Å; L783-M785 HydrophobicContact CB-CE 4.25Å; L783-M785 HydrophobicContact CB-CG 4.02Å; L783-M785 HydrophobicContact CB-SD 4.47Å; L783-M785 HydrophobicContact CD1-CE 3.89Å; L783-M785 HydrophobicContact CD1-SD 4.34Å; L783-M785 PolarHBondContact O-N 3.25Å; M785-V851 HydrophobicContact SD-CG1 3.86Å; M785-Y869 HydrophobicContact CE-CD2 4.17Å; M785-Y869 HydrophobicContact CE-CE2 3.53Å; M785-L872 HydrophobicContact CE-CD2 4.16Å; M785-L872 HydrophobicContact CG-CD2 4.32Å; M785-L872 HydrophobicContact CG-CG 4.24Å; M785-L872 HydrophobicContact SD-CD2 4.1Å; M785-T873 HydrophobicContact CE-CG2 4.41Å; M785-T873 HydrophobicContact CG-CG2 4.32Å
786	P	84.8	Confident	85.8	Confident	15 Å²	15	24.4 Å²	24.4	10%	0.097	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-55.6	145.2	168.7	-21	31.1	0	0	0	111	T780 A788 F858 L872 H875 F893	T780-P786 WeakPolarHBondContact CG2-O 3.14Å; P786-A788 PolarHBondContact O-N 2.79Å; P786-A788 VanDerWaalsContact O-N 3.13Å; P786-F858 HydrophobicContact CB-CE2 4.42Å; P786-F858 HydrophobicContact CB-CZ 4.44Å; P786-F858 HydrophobicContact CG-CE2 4.16Å; P786-F858 HydrophobicContact CG-CZ 4.13Å; P786-L872 HydrophobicContact CG-CD1 3.88Å; P786-H875 HydrophobicContact CG-CB 4.17Å; P786-F893 HydrophobicContact CG-CB 4.48Å; P786-F893 HydrophobicContact CG-CD1 3.99Å
787	E	83.7	Confident	85.7	Confident	66 Å²	66	24.3 Å²	24.3	31%	0.308	14%	0.135	S	C	.	.	P	Polyproline II helix	trans	-52.4	117.5	-178.3	-68.8	174.7	-157.6	0	0	111.3	Y295 M899	Y295-E787 PolarHBondContact OH-OE1 3.03Å; E787-M899 WeakPolarHBondContact O-CG 3.41Å
788	A	89.5	Confident	85.8	Confident	3 Å²	3	23.7 Å²	23.7	3%	0.025	13%	0.132	C	C	.	.	S	Bend	trans	-76.6	-32.4	179.9	0	0	0	0	0	111.7	T780 P786 A854 M899 A902	T780-A788 HydrophobicContact CG2-CB 4.49Å; P786-A788 PolarHBondContact O-N 2.79Å; P786-A788 VanDerWaalsContact O-N 3.13Å; A788-A854 HydrophobicContact CB-CB 4.28Å; A788-M899 WeakPolarHBondContact O-CA 3.01Å; A788-A902 HydrophobicContact CB-CB 4.14Å; A788-A902 WeakPolarHBondContact O-CB 3.49Å
789	L	89.4	Confident	85.8	Confident	10 Å²	10	23.7 Å²	23.7	5%	0.052	14%	0.135	C	C	.	.	S	Bend	trans	-143.7	142.3	-179.9	-66.1	172.2	0	0	0	109.6	L794 A902 L903 L906	L789-L794 HydrophobicContact CB-CD2 4.06Å; L789-L794 HydrophobicContact CB-CG 4.34Å; L789-L794 HydrophobicContact CD1-CD2 3.73Å; L789-L794 HydrophobicContact CG-CD2 4.44Å; L789-A902 HydrophobicContact CD2-CB 4.08Å; L789-A902 HydrophobicContact CG-CB 4.28Å; L789-L903 HydrophobicContact CD2-CB 3.85Å; L789-L903 HydrophobicContact CD2-CD1 4.16Å; L789-L906 HydrophobicContact CD1-CD2 3.77Å
790	I	84.3	Confident	85.9	Confident	19 Å²	19	23.1 Å²	23.1	10%	0.097	13%	0.133	C	C	.	.			trans	-105.8	157.8	177.3	60.7	168.2	0	0	0	111.4	V792 Q793 L794 M899 Q960	I790-V792 VanDerWaalsContact C-N 3.3Å; I790-V792 HydrophobicContact CD1-CB 4.43Å; I790-V792 PolarHBondContact O-N 3.46Å; I790-Q793 HydrophobicContact CD1-CG 4.19Å; I790-Q793 HydrophobicContact CG1-CB 4.18Å; I790-Q793 VanDerWaalsContact CG1-CD 3.42Å; I790-Q793 HydrophobicContact CG1-CG 3.58Å; I790-Q793 WeakPolarHBondContact O-CB 3.34Å; I790-Q793 PolarHBondContact O-N 3.2Å; I790-L794 PolarHBondContact O-N 3.38Å; I790-M899 HydrophobicContact CG2-SD 3.94Å; I790-Q960 HydrophobicContact CD1-CB 4.18Å; I790-Q960 HydrophobicContact CD1-CG 4.23Å
791	P	81.1	Confident	86.2	Confident	7 Å²	7	22.8 Å²	22.8	5%	0.045	13%	0.131	C	C	.	.	H	α-helix	trans	-53	-43.3	-177.2	-28.3	35.2	0	0	0	113.9	E91 A302 Q793 L794 L795	E91-P791 HydrophobicContact CG-CB 4.27Å; A302-P791 HydrophobicContact CB-CG 3.67Å; P791-Q793 VanDerWaalsContact C-N 3.25Å; P791-Q793 PolarHBondContact O-N 3.24Å; P791-L794 PolarHBondContact O-N 3.48Å; P791-L794 VanDerWaalsContact O-N 3.1Å; P791-L795 VanDerWaalsContact O-CG 3.28Å; P791-L795 WeakPolarHBondContact O-CG 3.46Å; P791-L795 PolarHBondContact O-N 3.48Å
792	V	83.4	Confident	86.8	Confident	16 Å²	16	22.2 Å²	22.2	10%	0.097	13%	0.126	C	C	.	.	H	α-helix	trans	-60.5	-35.1	-178.7	-178.7	0	0	0	0	112.2	V90 E91 I790 W796 F959	V90-V792 HydrophobicContact CG1-CG1 4.48Å; E91-V792 HydrophobicContact CB-CG2 4.14Å; E91-V792 HydrophobicContact CG-CG2 4.46Å; I790-V792 VanDerWaalsContact C-N 3.3Å; I790-V792 HydrophobicContact CD1-CB 4.43Å; I790-V792 PolarHBondContact O-N 3.46Å; V792-W796 PolarHBondContact O-N 3.23Å; V792-F959 HydrophobicContact CG1-CD1 3.88Å; V792-F959 HydrophobicContact CG1-CE1 3.83Å
793	Q	89.5	Confident	87.2	Confident	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-70.4	-43.5	175.8	-66.8	166.5	-3.6	0	0	111.1	I790 P791 W796 V797 L903 F959	I790-Q793 HydrophobicContact CD1-CG 4.19Å; I790-Q793 HydrophobicContact CG1-CB 4.18Å; I790-Q793 VanDerWaalsContact CG1-CD 3.42Å; I790-Q793 HydrophobicContact CG1-CG 3.58Å; I790-Q793 WeakPolarHBondContact O-CB 3.34Å; I790-Q793 PolarHBondContact O-N 3.2Å; P791-Q793 VanDerWaalsContact C-N 3.25Å; P791-Q793 PolarHBondContact O-N 3.24Å; Q793-W796 WeakPolarHBondContact O-CB 3.44Å; Q793-W796 PolarHBondContact O-N 3.43Å; Q793-V797 WeakPolarHBondContact O-CG2 3.32Å; Q793-V797 PolarHBondContact O-N 3.21Å; Q793-L903 HydrophobicContact CB-CD1 4.16Å; Q793-L903 HydrophobicContact CB-CD2 4.49Å; Q793-L903 HydrophobicContact CG-CD2 4.25Å; Q793-F959 HydrophobicContact CG-CD1 4.4Å; Q793-F959 PolarHBondContact NE2-O 2.9Å
794	L	88.6	Confident	87.6	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.6	-41	-180	-60.6	172.6	0	0	0	111.9	A306 E773 I777 L789 I790 P791 W796 V797 N798 L906	A306-L794 HydrophobicContact CB-CD1 3.75Å; E773-L794 HydrophobicContact CB-CD2 4.14Å; E773-L794 HydrophobicContact CG-CD2 3.85Å; I777-L794 HydrophobicContact CD1-CD1 3.72Å; I777-L794 HydrophobicContact CG1-CD1 4.49Å; L789-L794 HydrophobicContact CB-CD2 4.06Å; L789-L794 HydrophobicContact CB-CG 4.34Å; L789-L794 HydrophobicContact CD1-CD2 3.73Å; L789-L794 HydrophobicContact CG-CD2 4.44Å; I790-L794 PolarHBondContact O-N 3.38Å; P791-L794 PolarHBondContact O-N 3.48Å; P791-L794 VanDerWaalsContact O-N 3.1Å; L794-W796 VanDerWaalsContact C-N 3.27Å; L794-W796 PolarHBondContact O-N 3.45Å; L794-V797 PolarHBondContact O-N 3.2Å; L794-N798 WeakPolarHBondContact O-CB 3.49Å; L794-N798 PolarHBondContact O-N 3.33Å; L794-N798 PolarHBondContact O-ND2 3.32Å; L794-L906 HydrophobicContact CD2-CD2 4.25Å
795	L	84.6	Confident	88.3	Confident	4 Å²	4	18.5 Å²	18.5	2%	0.021	10%	0.096	C	C	.	.	H	α-helix	trans	-55.9	-44.1	172.6	-69.2	173.8	0	0	0	111.1	V94 I95 I98 V305 E310 P791 L799	V94-L795 HydrophobicContact CB-CD1 4.39Å; V94-L795 HydrophobicContact CG1-CD1 3.79Å; I95-L795 HydrophobicContact CG1-CD1 4.04Å; I98-L795 HydrophobicContact CD1-CD2 3.96Å; V305-L795 HydrophobicContact CG1-CD2 3.4Å; V305-L795 HydrophobicContact CG1-CG 3.82Å; E310-L795 WeakPolarHBondContact OE1-CD2 3.33Å; E310-L795 WeakPolarHBondContact OE2-CD2 3.39Å; P791-L795 VanDerWaalsContact O-CG 3.28Å; P791-L795 WeakPolarHBondContact O-CG 3.46Å; P791-L795 PolarHBondContact O-N 3.48Å; L795-L799 WeakPolarHBondContact O-CB 3.33Å; L795-L799 PolarHBondContact O-N 3.11Å
796	W	89.9	Confident	88.6	Confident	67 Å²	67	17.6 Å²	17.6	25%	0.254	9%	0.091	S	C	.	.	H	α-helix	trans	-66.9	-41	177.5	-179.2	-93.1	0	0	0	112.6	V792 Q793 L794 V800 T801 I949 F959	V792-W796 PolarHBondContact O-N 3.23Å; Q793-W796 WeakPolarHBondContact O-CB 3.44Å; Q793-W796 PolarHBondContact O-N 3.43Å; L794-W796 VanDerWaalsContact C-N 3.27Å; L794-W796 PolarHBondContact O-N 3.45Å; W796-V800 HydrophobicContact CD2-CB 4.16Å; W796-V800 HydrophobicContact CD2-CG2 4.13Å; W796-V800 HydrophobicContact CE3-CB 4.4Å; W796-V800 HydrophobicContact CE3-CG2 3.87Å; W796-V800 HydrophobicContact CH2-CG1 4.19Å; W796-V800 HydrophobicContact CH2-CG2 4.22Å; W796-V800 HydrophobicContact CZ2-CB 4.26Å; W796-V800 HydrophobicContact CZ2-CG1 3.88Å; W796-V800 HydrophobicContact CZ2-CG2 4.44Å; W796-V800 HydrophobicContact CZ3-CG2 3.92Å; W796-V800 WeakPolarHBondContact O-CA 3.32Å; W796-V800 WeakPolarHBondContact O-CB 3.4Å; W796-V800 PolarHBondContact O-N 3.4Å; W796-T801 PolarHBondContact O-N 2.94Å; W796-T801 VanDerWaalsContact O-N 3.16Å; W796-I949 HydrophobicContact CZ2-CG2 4Å; W796-F959 HydrophobicContact CB-CE1 3.61Å; W796-F959 HydrophobicContact CB-CZ 4.03Å; W796-F959 HydrophobicContact CD2-CE1 4.26Å; W796-F959 AromaticContact CD2-CZ 3.75Å; W796-F959 HydrophobicContact CD2-CZ 3.75Å; W796-F959 HydrophobicContact CE3-CE1 4.41Å; W796-F959 AromaticContact CE3-CZ 3.68Å; W796-F959 HydrophobicContact CE3-CZ 3.68Å; W796-F959 AromaticContact CG-CE1 3.94Å; W796-F959 HydrophobicContact CG-CE1 3.94Å; W796-F959 AromaticContact CG-CZ 3.91Å; W796-F959 HydrophobicContact CG-CZ 3.91Å; W796-F959 HydrophobicContact CZ3-CZ 4.39Å
797	V	91.3	Very high	89	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.095	C	C	.	.	I	π-helix	trans	-63.1	-55.1	177.5	173	0	0	0	0	110.3	Q793 L794 L799 T801 D802 L903 L906 V907	Q793-V797 WeakPolarHBondContact O-CG2 3.32Å; Q793-V797 PolarHBondContact O-N 3.21Å; L794-V797 PolarHBondContact O-N 3.2Å; V797-L799 VanDerWaalsContact C-N 3.34Å; V797-L799 PolarHBondContact O-N 3.43Å; V797-T801 PolarHBondContact O-N 2.94Å; V797-T801 VanDerWaalsContact O-N 3.16Å; V797-D802 WeakPolarHBondContact O-CB 3.49Å; V797-D802 PolarHBondContact O-N 3.28Å; V797-L903 HydrophobicContact CG2-CD1 3.57Å; V797-L906 HydrophobicContact CG1-CD2 4.13Å; V797-L906 HydrophobicContact CG1-CG 4.41Å; V797-L906 HydrophobicContact CG2-CD2 4.29Å; V797-V907 HydrophobicContact CG2-CG2 4.22Å
798	N	88.8	Confident	89.4	Confident	2 Å²	2	15.4 Å²	15.4	1%	0.011	8%	0.083	C	C	.	.	I	π-helix	trans	-63.9	-35.8	-176.3	-75.4	-38.7	0	0	0	113.5	N770 E773 L794	N770-N798 PolarHBondContact ND2-ND2 2.84Å; E773-N798 PolarHBondContact OE1-OD1 3.44Å; E773-N798 PolarHBondContact OE2-ND2 3.25Å; L794-N798 WeakPolarHBondContact O-CB 3.49Å; L794-N798 PolarHBondContact O-N 3.33Å; L794-N798 PolarHBondContact O-ND2 3.32Å
799	L	86.3	Confident	89.5	Confident	68 Å²	68	15.3 Å²	15.3	36%	0.356	8%	0.081	S	C	.	.	I	π-helix	trans	-86.9	-45.1	-177.4	-174.1	64.1	0	0	0	112.9	I98 L795 V797	I98-L799 HydrophobicContact CD1-CD2 4.36Å; I98-L799 HydrophobicContact CG1-CD2 4.32Å; L795-L799 WeakPolarHBondContact O-CB 3.33Å; L795-L799 PolarHBondContact O-N 3.11Å; V797-L799 VanDerWaalsContact C-N 3.34Å; V797-L799 PolarHBondContact O-N 3.43Å
800	V	90	Very high	89.4	Confident	31 Å²	31	14.9 Å²	14.9	19%	0.188	8%	0.08	C	C	.	.	I	π-helix	trans	-106.2	-58.6	-169.2	-176.6	0	0	0	0	111.2	W796 D802 L804 L945	W796-V800 HydrophobicContact CD2-CB 4.16Å; W796-V800 HydrophobicContact CD2-CG2 4.13Å; W796-V800 HydrophobicContact CE3-CB 4.4Å; W796-V800 HydrophobicContact CE3-CG2 3.87Å; W796-V800 HydrophobicContact CH2-CG1 4.19Å; W796-V800 HydrophobicContact CH2-CG2 4.22Å; W796-V800 HydrophobicContact CZ2-CB 4.26Å; W796-V800 HydrophobicContact CZ2-CG1 3.88Å; W796-V800 HydrophobicContact CZ2-CG2 4.44Å; W796-V800 HydrophobicContact CZ3-CG2 3.92Å; W796-V800 WeakPolarHBondContact O-CA 3.32Å; W796-V800 WeakPolarHBondContact O-CB 3.4Å; W796-V800 PolarHBondContact O-N 3.4Å; V800-D802 PolarHBondContact O-N 3.43Å; V800-L804 HydrophobicContact CG1-CD1 4.41Å; V800-L804 WeakPolarHBondContact O-CD1 3.49Å; V800-L804 WeakPolarHBondContact O-CG 2.97Å; V800-L804 PolarHBondContact O-N 3.05Å; V800-L945 HydrophobicContact CG1-CD1 3.68Å
801	T	92.7	Very high	89.6	Confident	1 Å²	1	17 Å²	17	1%	0.006	9%	0.088	C	C	.	.	I	π-helix	trans	-61.1	-47.3	-173.9	-57.8	0	0	0	0	111.3	W796 V797 P805 V907 M911 S942	W796-T801 PolarHBondContact O-N 2.94Å; W796-T801 VanDerWaalsContact O-N 3.16Å; V797-T801 PolarHBondContact O-N 2.94Å; V797-T801 VanDerWaalsContact O-N 3.16Å; T801-P805 WeakPolarHBondContact O-CD 3.4Å; T801-P805 WeakPolarHBondContact O-CG 3.45Å; T801-V907 HydrophobicContact CG2-CB 4.36Å; T801-V907 HydrophobicContact CG2-CG1 3.78Å; T801-V907 HydrophobicContact CG2-CG2 4.03Å; T801-M911 HydrophobicContact CG2-CE 3.82Å; T801-S942 PolarHBondContact O-OG 3.01Å
802	D	93	Very high	89.8	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-30	-178.2	-70.4	-3.8	0	0	0	112.1	Y765 L766 S769 V797 V800 L804 P805 A806 E910	Y765-D802 HydrophobicContact CE1-CB 4.16Å; Y765-D802 WeakPolarHBondContact OH-CA 3.38Å; Y765-D802 VanDerWaalsContact OH-CG 3.3Å; Y765-D802 PolarHBondContact OH-OD1 3.27Å; L766-D802 HydrophobicContact CD2-CB 3.81Å; S769-D802 VanDerWaalsContact CB-OD2 3.31Å; S769-D802 WeakPolarHBondContact CB-OD2 3.3Å; S769-D802 PolarHBondContact OG-OD2 3.09Å; V797-D802 WeakPolarHBondContact O-CB 3.49Å; V797-D802 PolarHBondContact O-N 3.28Å; V800-D802 PolarHBondContact O-N 3.43Å; D802-L804 PolarHBondContact O-N 2.89Å; D802-P805 WeakPolarHBondContact O-CD 3.33Å; D802-A806 WeakPolarHBondContact O-CB 3.45Å; D802-A806 PolarHBondContact O-N 3.47Å; D802-E910 WeakPolarHBondContact OD1-CB 3.39Å
803	G	90.6	Very high	89.7	Confident	7 Å²	7	18.6 Å²	18.6	7%	0.072	10%	0.099	C	C	.	.	H	α-helix	trans	-58.5	-35.6	177.5	0	0	0	0	0	113.2	T807	G803-T807 WeakPolarHBondContact O-CB 3.36Å; G803-T807 PolarHBondContact O-N 2.82Å; G803-T807 PolarHBondContact O-OG1 2.9Å
804	L	93.1	Very high	89.2	Confident	52 Å²	52	21.8 Å²	21.8	27%	0.272	12%	0.119	S	C	.	.	H	α-helix	trans	-68.2	-57.8	178.5	-73.5	167.9	0	0	0	112.7	V800 D802 A806 T807 A808 A938 F941 L945	V800-L804 HydrophobicContact CG1-CD1 4.41Å; V800-L804 WeakPolarHBondContact O-CD1 3.49Å; V800-L804 WeakPolarHBondContact O-CG 2.97Å; V800-L804 PolarHBondContact O-N 3.05Å; D802-L804 PolarHBondContact O-N 2.89Å; L804-A806 VanDerWaalsContact C-N 3.3Å; L804-A806 PolarHBondContact O-N 3.16Å; L804-T807 PolarHBondContact O-N 3.32Å; L804-A808 PolarHBondContact O-N 2.91Å; L804-A938 HydrophobicContact CB-CB 4.47Å; L804-F941 HydrophobicContact CD1-CD1 3.5Å; L804-F941 VanDerWaalsContact CD1-CD1 3.5Å; L804-F941 HydrophobicContact CD1-CE1 3.94Å; L804-F941 HydrophobicContact CD2-CD1 4.2Å; L804-F941 HydrophobicContact CD2-CE1 4.47Å; L804-F941 HydrophobicContact CG-CD1 4.48Å; L804-L945 HydrophobicContact CD1-CD1 3.8Å
805	P	93.9	Very high	88.7	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-57.8	-39.1	172.3	-23.6	31	0	0	0	113.2	Y765 T801 D802 T807 A808 L809 M911 A914 L935 I939	Y765-P805 HydrophobicContact CE1-CB 4.08Å; T801-P805 WeakPolarHBondContact O-CD 3.4Å; T801-P805 WeakPolarHBondContact O-CG 3.45Å; D802-P805 WeakPolarHBondContact O-CD 3.33Å; P805-T807 VanDerWaalsContact C-N 3.31Å; P805-T807 PolarHBondContact O-N 2.85Å; P805-A808 CarbonylContact O-C 3.59Å; P805-A808 WeakPolarHBondContact O-CA 3.48Å; P805-A808 WeakPolarHBondContact O-CB 3.49Å; P805-A808 PolarHBondContact O-N 3.19Å; P805-L809 WeakPolarHBondContact O-CG 3.5Å; P805-L809 PolarHBondContact O-N 3.1Å; P805-M911 HydrophobicContact CG-CE 3.69Å; P805-M911 HydrophobicContact CG-SD 3.96Å; P805-A914 HydrophobicContact CB-CB 3.77Å; P805-L935 HydrophobicContact CB-CD1 4.02Å; P805-I939 HydrophobicContact CG-CG1 4.48Å
806	A	93.1	Very high	88.3	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.4	-42.4	177.3	0	0	0	0	0	111.5	V315 F762 Y765 L766 D802 L804 A808 L809	V315-A806 HydrophobicContact CG1-CB 3.9Å; V315-A806 HydrophobicContact CG2-CB 4.04Å; F762-A806 HydrophobicContact CB-CB 4.14Å; F762-A806 WeakPolarHBondContact CB-O 3.48Å; Y765-A806 HydrophobicContact CD1-CB 3.93Å; Y765-A806 HydrophobicContact CE1-CB 3.99Å; L766-A806 HydrophobicContact CD1-CB 3.99Å; L766-A806 HydrophobicContact CD2-CB 3.89Å; L766-A806 HydrophobicContact CG-CB 3.92Å; D802-A806 WeakPolarHBondContact O-CB 3.45Å; D802-A806 PolarHBondContact O-N 3.47Å; L804-A806 VanDerWaalsContact C-N 3.3Å; L804-A806 PolarHBondContact O-N 3.16Å; A806-A808 VanDerWaalsContact C-N 3.33Å; A806-A808 PolarHBondContact O-N 3.24Å; A806-L809 PolarHBondContact O-N 2.82Å
807	T	91.6	Very high	87.9	Confident	30 Å²	30	32.4 Å²	32.4	18%	0.184	19%	0.187	C	C	.	.	H	α-helix	trans	-64.2	-39.7	173	-57.5	0	0	0	0	111.6	T318 G803 L804 P805 L809 G810	T318-T807 HydrophobicContact CG2-CG2 3.65Å; G803-T807 WeakPolarHBondContact O-CB 3.36Å; G803-T807 PolarHBondContact O-N 2.82Å; G803-T807 PolarHBondContact O-OG1 2.9Å; L804-T807 PolarHBondContact O-N 3.32Å; P805-T807 VanDerWaalsContact C-N 3.31Å; P805-T807 PolarHBondContact O-N 2.85Å; T807-L809 PolarHBondContact O-N 2.82Å; T807-G810 WeakPolarHBondContact O-CA 3.46Å; T807-G810 PolarHBondContact O-N 3.34Å; T807-G810 VanDerWaalsContact O-N 3.1Å
808	A	92.7	Very high	87.7	Confident	6 Å²	6	32.8 Å²	32.8	5%	0.05	19%	0.189	C	C	.	.	H	α-helix	trans	-67.1	-34.2	179.3	0	0	0	0	0	113.3	L804 P805 A806 G810 F811 N932 W934 L935 A938	L804-A808 PolarHBondContact O-N 2.91Å; P805-A808 CarbonylContact O-C 3.59Å; P805-A808 WeakPolarHBondContact O-CA 3.48Å; P805-A808 WeakPolarHBondContact O-CB 3.49Å; P805-A808 PolarHBondContact O-N 3.19Å; A806-A808 VanDerWaalsContact C-N 3.33Å; A806-A808 PolarHBondContact O-N 3.24Å; A808-G810 PolarHBondContact O-N 2.98Å; A808-F811 WeakPolarHBondContact O-CB 3.4Å; A808-F811 PolarHBondContact O-N 3.5Å; A808-N932 PolarHBondContact O-ND2 3.12Å; A808-W934 HydrophobicContact CB-CB 4.42Å; A808-L935 HydrophobicContact CB-CB 4.25Å; A808-L935 HydrophobicContact CB-CD1 4.07Å; A808-A938 HydrophobicContact CB-CB 3.61Å
809	L	91.5	Very high	87.7	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.5	-24.9	171.7	-72.4	173.8	0	0	0	112.3	F762 Y765 P805 A806 T807 F811 N812 S917 L935	F762-L809 HydrophobicContact CB-CB 3.93Å; F762-L809 HydrophobicContact CB-CD1 4.06Å; Y765-L809 HydrophobicContact CD1-CD1 4Å; Y765-L809 HydrophobicContact CG-CD1 4.11Å; P805-L809 WeakPolarHBondContact O-CG 3.5Å; P805-L809 PolarHBondContact O-N 3.1Å; A806-L809 PolarHBondContact O-N 2.82Å; T807-L809 PolarHBondContact O-N 2.82Å; L809-F811 PolarHBondContact O-N 2.92Å; L809-F811 VanDerWaalsContact O-N 3.1Å; L809-N812 WeakPolarHBondContact O-CB 3.43Å; L809-N812 PolarHBondContact O-N 3.35Å; L809-N812 VanDerWaalsContact O-N 3.08Å; L809-S917 WeakPolarHBondContact CD2-O 3.19Å; L809-L935 HydrophobicContact CD2-CD1 4.13Å; L809-L935 HydrophobicContact CD2-CD2 4.01Å; L809-L935 HydrophobicContact CG-CD1 4.13Å
810	G	88	Confident	87.7	Confident	2 Å²	2	35.5 Å²	35.5	2%	0.021	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-19.4	168.6	0	0	0	0	0	114.5	R326 N758 T807 A808	R326-G810 PolarHBondContact NH2-O 3.4Å; N758-G810 PolarHBondContact ND2-O 3.48Å; T807-G810 WeakPolarHBondContact O-CA 3.46Å; T807-G810 PolarHBondContact O-N 3.34Å; T807-G810 VanDerWaalsContact O-N 3.1Å; A808-G810 PolarHBondContact O-N 2.98Å
811	F	87.2	Confident	87.5	Confident	62 Å²	62	37.7 Å²	37.7	27%	0.272	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	12.9	178.3	-63.5	-88.5	0	0	0	114.2	L322 A808 L809 W934	L322-F811 HydrophobicContact CD1-CE1 4.06Å; L322-F811 HydrophobicContact CD1-CE2 3.62Å; L322-F811 HydrophobicContact CD1-CZ 3.24Å; L322-F811 HydrophobicContact CD2-CE1 4.31Å; L322-F811 HydrophobicContact CD2-CZ 3.92Å; L322-F811 HydrophobicContact CG-CZ 4.09Å; A808-F811 WeakPolarHBondContact O-CB 3.4Å; A808-F811 PolarHBondContact O-N 3.5Å; L809-F811 PolarHBondContact O-N 2.92Å; L809-F811 VanDerWaalsContact O-N 3.1Å; F811-W934 HydrophobicContact CB-CB 4.46Å; F811-W934 HydrophobicContact CB-CG 4.47Å; F811-W934 HydrophobicContact CD2-CB 4.42Å; F811-W934 HydrophobicContact CG-CG 4.38Å
812	N	85.2	Confident	87.4	Confident	8 Å²	8	42.2 Å²	42.2	4%	0.043	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-59	142.3	173.9	-77.5	-10.4	0	0	0	111	N758 L809 L918 N932	N758-N812 PolarHBondContact ND2-N 2.98Å; N758-N812 PolarHBondContact ND2-O 2.88Å; N758-N812 WeakPolarHBondContact OD1-CB 3.29Å; L809-N812 WeakPolarHBondContact O-CB 3.43Å; L809-N812 PolarHBondContact O-N 3.35Å; L809-N812 VanDerWaalsContact O-N 3.08Å; N812-L918 PolarHBondContact ND2-O 3.12Å; N812-N932 PolarHBondContact OD1-ND2 3.33Å
813	P	81.2	Confident	87.3	Confident	50 Å²	50	43.3 Å²	43.3	33%	0.325	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-66.2	146.5	177.4	27.7	-33.6	0	0	0	110.8
814	P	80.9	Confident	87.2	Confident	67 Å²	67	44.4 Å²	44.4	44%	0.435	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-66.3	150.3	177.6	28.1	-34.6	0	0	0	111.9	A754	A754-P814 HydrophobicContact CB-CB 3.76Å
815	D	77.1	Confident	86.7	Confident	62 Å²	62	50.1 Å²	50.1	33%	0.332	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-61.7	139.3	170.4	-84.8	-5.6	0	0	0	111.2	D817 I818 K821	D815-D817 PolarHBondContact O-N 2.85Å; D815-I818 HydrophobicContact CB-CB 4.39Å; D815-I818 HydrophobicContact CB-CD1 4.3Å; D815-I818 VanDerWaalsContact O-CB 3.3Å; D815-I818 WeakPolarHBondContact O-CB 3.31Å; D815-I818 WeakPolarHBondContact O-CG2 3.29Å; D815-I818 PolarHBondContact O-N 2.98Å; D815-K821 IonicContact OD2-NZ 3.03Å; D815-K821 PolarHBondContact OD2-NZ 3.21Å
816	V	76.5	Confident	85.9	Confident	159 Å²	159	51.7 Å²	51.7	96%	0.964	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-27	-178.7	-169.8	0	0	0	0	112.3
817	D	81.8	Confident	85.2	Confident	74 Å²	74	60.1 Å²	60.1	40%	0.396	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	12	-176.1	70.8	-20.5	0	0	0	113.3	D815 M819 T820 K821	D815-D817 PolarHBondContact O-N 2.85Å; D817-M819 VanDerWaalsContact C-N 3.25Å; D817-M819 PolarHBondContact O-N 3.2Å; D817-M819 VanDerWaalsContact O-N 3.14Å; D817-T820 WeakPolarHBondContact CB-OG1 3.37Å; D817-T820 PolarHBondContact O-N 2.97Å; D817-T820 PolarHBondContact O-OG1 2.79Å; D817-K821 VanDerWaalsContact CG-CE 3.42Å; D817-K821 PolarHBondContact O-N 2.86Å; D817-K821 WeakPolarHBondContact OD1-CE 3.32Å; D817-K821 IonicContact OD1-NZ 3.27Å; D817-K821 PolarHBondContact OD1-NZ 3.45Å; D817-K821 VanDerWaalsContact OD1-NZ 3.1Å; D817-K821 VanDerWaalsContact OD2-CE 3.22Å; D817-K821 WeakPolarHBondContact OD2-CE 3.17Å; D817-K821 IonicContact OD2-NZ 3.43Å
818	I	85.8	Confident	84.7	Confident	7 Å²	7	62 Å²	62	4%	0.036	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-35.9	-174	-160.7	79.8	0	0	0	113.5	E750 R753 D757 D815	E750-I818 HydrophobicContact CG-CG2 3.87Å; R753-I818 HydrophobicContact CB-CD1 3.92Å; R753-I818 HydrophobicContact CB-CG1 3.58Å; R753-I818 PolarHBondContact NH1-O 3.41Å; D757-I818 WeakPolarHBondContact OD2-CD1 3.28Å; D815-I818 HydrophobicContact CB-CB 4.39Å; D815-I818 HydrophobicContact CB-CD1 4.3Å; D815-I818 VanDerWaalsContact O-CB 3.3Å; D815-I818 WeakPolarHBondContact O-CB 3.31Å; D815-I818 WeakPolarHBondContact O-CG2 3.29Å; D815-I818 PolarHBondContact O-N 2.98Å
819	M	88.7	Confident	83.9	Confident	34 Å²	34	64.8 Å²	64.8	17%	0.167	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	5.9	178.5	-71.8	-58.2	-74.7	0	0	114.2	A619 V746 E750 D817	A619-M819 VanDerWaalsContact CA-O 3.23Å; A619-M819 WeakPolarHBondContact CA-O 3.45Å; A619-M819 HydrophobicContact CB-CE 3.8Å; A619-M819 WeakPolarHBondContact CB-O 3.37Å; A619-M819 HydrophobicContact CB-SD 4.36Å; A619-M819 PolarHBondContact N-O 3.28Å; V746-M819 HydrophobicContact CG1-CE 3.61Å; E750-M819 HydrophobicContact CB-CG 4.02Å; E750-M819 HydrophobicContact CB-SD 3.81Å; E750-M819 HydrophobicContact CG-CG 3.89Å; E750-M819 HydrophobicContact CG-SD 4.28Å; D817-M819 VanDerWaalsContact C-N 3.25Å; D817-M819 PolarHBondContact O-N 3.2Å; D817-M819 VanDerWaalsContact O-N 3.14Å
820	T	87.7	Confident	83.1	Confident	94 Å²	94	65.4 Å²	65.4	58%	0.577	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	-17.8	173.2	69	0	0	0	0	112.8	D817	D817-T820 WeakPolarHBondContact CB-OG1 3.37Å; D817-T820 PolarHBondContact O-N 2.97Å; D817-T820 PolarHBondContact O-OG1 2.79Å
821	K	84.8	Confident	82.5	Confident	76 Å²	76	67 Å²	67	33%	0.33	36%	0.357	S	S	.	.	S	Bend	trans	-74.7	144.8	173.6	-63.7	173.8	-170.1	160.9	0	109.8	A619 R753 D815 D817	A619-K821 VanDerWaalsContact O-O 3.09Å; R753-K821 PolarHBondContact NH1-O 2.93Å; D815-K821 IonicContact OD2-NZ 3.03Å; D815-K821 PolarHBondContact OD2-NZ 3.21Å; D817-K821 VanDerWaalsContact CG-CE 3.42Å; D817-K821 PolarHBondContact O-N 2.86Å; D817-K821 WeakPolarHBondContact OD1-CE 3.32Å; D817-K821 IonicContact OD1-NZ 3.27Å; D817-K821 PolarHBondContact OD1-NZ 3.45Å; D817-K821 VanDerWaalsContact OD1-NZ 3.1Å; D817-K821 VanDerWaalsContact OD2-CE 3.22Å; D817-K821 WeakPolarHBondContact OD2-CE 3.17Å; D817-K821 IonicContact OD2-NZ 3.43Å
822	P	90.7	Very high	82	Confident	96 Å²	96	66.7 Å²	66.7	62%	0.623	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-65.7	162.1	171.1	29.8	-34.9	0	0	0	110.8
823	P	92.1	Very high	81.7	Confident	23 Å²	23	69.3 Å²	69.3	15%	0.149	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-57	142.5	174	-20.4	32.9	0	0	0	111	T346 T347 A619 G620 I621	T346-P823 WeakPolarHBondContact O-CG 3.22Å; T347-P823 HydrophobicContact CG2-CB 3.84Å; T347-P823 HydrophobicContact CG2-CG 4.29Å; A619-P823 WeakPolarHBondContact O-CD 3.42Å; G620-P823 WeakPolarHBondContact O-CD 3.4Å; I621-P823 HydrophobicContact CG1-CG 4.08Å
824	R	87	Confident	81.8	Confident	31 Å²	31	72.9 Å²	72.9	12%	0.117	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-64.8	149.6	176.2	93.3	176.8	176.3	108.2	-0.5	109.7	E341 C345 Y756 S826 E828	E341-R824 IonicContact OE1-CZ 3.53Å; E341-R824 IonicContact OE1-NE 3.04Å; E341-R824 IonicContact OE1-NH2 3.61Å; E341-R824 PolarHBondContact OE1-NH2 2.78Å; C345-R824 HydrophobicContact CB-CG 4.49Å; C345-R824 PolarHBondContact SG-NE 3.37Å; Y756-R824 VanDerWaalsContact CE1-CD 3.46Å; Y756-R824 PolarHBondContact OH-NH1 3.37Å; R824-S826 PolarHBondContact O-N 3.45Å; R824-E828 PolarHBondContact NH1-O 2.9Å
825	K	84.2	Confident	81.7	Confident	171 Å²	171	69.8 Å²	69.8	74%	0.743	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-72	132.2	171.2	-64.9	-177.6	-179.9	-179.4	0	108.7	K827 E828	K825-K827 PolarHBondContact O-N 3.36Å; K825-E828 VanDerWaalsContact O-CB 3.29Å; K825-E828 WeakPolarHBondContact O-CB 3.32Å; K825-E828 PolarHBondContact O-N 3.46Å
826	S	77.1	Confident	82	Confident	34 Å²	34	72 Å²	72	24%	0.238	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-31.3	176.3	53.6	0	0	0	0	113.3	R824	R824-S826 PolarHBondContact O-N 3.45Å
827	K	78	Confident	82.5	Confident	177 Å²	177	68.4 Å²	68.4	77%	0.77	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	0.9	178.7	-60.4	-175.5	-178.7	178.8	0	114.8	K825	K825-K827 PolarHBondContact O-N 3.36Å
828	E	80	Confident	82.7	Confident	69 Å²	69	65 Å²	65	32%	0.322	34%	0.342	S	S	.	.			trans	-62.2	126.2	177.8	-169.3	-175.1	150.6	0	0	110.2	K760 R824 K825	K760-E828 IonicContact NZ-OE1 2.99Å; K760-E828 PolarHBondContact NZ-OE1 3.18Å; R824-E828 PolarHBondContact NH1-O 2.9Å; K825-E828 VanDerWaalsContact O-CB 3.29Å; K825-E828 WeakPolarHBondContact O-CB 3.32Å; K825-E828 PolarHBondContact O-N 3.46Å
829	P	76.9	Confident	82.7	Confident	64 Å²	64	64.9 Å²	64.9	42%	0.416	34%	0.341	S	S	.	.			trans	-71.6	146.4	176.8	30.1	-34.2	0	0	0	110.9	I831	P829-I831 PolarHBondContact O-N 3.27Å
830	L	74.8	Confident	82.7	Confident	13 Å²	13	65.9 Å²	65.9	7%	0.068	35%	0.346	C	S	.	.	S	Bend	trans	-59.6	-36.2	174.8	-72.3	163	0	0	0	111.7	K253 Y756 K760 I763	K253-L830 HydrophobicContact CB-CD1 4.03Å; K253-L830 HydrophobicContact CB-CG 4.39Å; Y756-L830 HydrophobicContact CE2-CD2 4.39Å; K760-L830 WeakPolarHBondContact CE-O 3.29Å; K760-L830 HydrophobicContact CG-CD2 4.44Å; I763-L830 HydrophobicContact CD1-CD1 4.48Å; I763-L830 HydrophobicContact CD1-CD2 4.15Å
831	I	75	Confident	82.9	Confident	36 Å²	36	65.5 Å²	65.5	19%	0.185	34%	0.34	C	S	.	.	S	Bend	trans	-121.3	113.2	178.8	-51.7	178.7	0	0	0	109	I767 P829 L835 F836	I767-I831 HydrophobicContact CD1-CD1 3.75Å; I767-I831 HydrophobicContact CG2-CD1 4.1Å; P829-I831 PolarHBondContact O-N 3.27Å; I831-L835 HydrophobicContact CG2-CB 4.4Å; I831-F836 HydrophobicContact CG2-CB 3.63Å; I831-F836 HydrophobicContact CG2-CD2 4.26Å; I831-F836 HydrophobicContact CG2-CG 4.47Å
832	S	75.7	Confident	83.2	Confident	55 Å²	55	62 Å²	62	39%	0.385	33%	0.325	S	S	.	.			trans	-82.9	161.3	173.6	66.2	0	0	0	0	111.1	W834 L835 F836	S832-W834 PolarHBondContact O-N 2.91Å; S832-L835 CarbonylContact O-C 3.54Å; S832-L835 WeakPolarHBondContact O-CA 3.49Å; S832-L835 WeakPolarHBondContact O-CB 3.3Å; S832-L835 PolarHBondContact O-N 2.92Å; S832-L835 WeakPolarHBondContact OG-CB 3.27Å; S832-F836 PolarHBondContact O-N 3.32Å
833	G	80.7	Confident	83.2	Confident	63 Å²	63	57.4 Å²	57.4	65%	0.649	30%	0.295	S	S	*	.	H	α-helix	trans	-55.6	-43.4	-172.7	0	0	0	0	0	115.2	L835 F836 L837	G833-L835 VanDerWaalsContact C-N 3.34Å; G833-F836 PolarHBondContact O-N 3.15Å; G833-L837 PolarHBondContact O-N 3.33Å; G833-L837 VanDerWaalsContact O-N 3.12Å
834	W	82.1	Confident	83.2	Confident	125 Å²	125	59.9 Å²	59.9	47%	0.473	31%	0.306	S	S	.	.	H	α-helix	trans	-66	-40	175.3	174.6	-103.4	0	0	0	112.2	S832 F836 L837 R838 I989 V990	S832-W834 PolarHBondContact O-N 2.91Å; W834-F836 VanDerWaalsContact C-N 3.34Å; W834-L837 HydrophobicContact CE3-CD2 3.97Å; W834-L837 HydrophobicContact CZ3-CD2 3.76Å; W834-L837 WeakPolarHBondContact O-CB 3.49Å; W834-L837 PolarHBondContact O-N 3.36Å; W834-R838 PolarHBondContact O-N 3.26Å; W834-I989 HydrophobicContact CH2-CG2 4.49Å; W834-I989 HydrophobicContact CZ2-CG2 4.34Å; W834-V990 HydrophobicContact CZ2-CG2 4.21Å
835	L	79.9	Confident	83.6	Confident	3 Å²	3	61 Å²	61	2%	0.016	31%	0.311	C	S	.	.	H	α-helix	trans	-69.8	-36.2	-179	-158.5	82.3	0	0	0	111.8	R764 I831 S832 G833 R838 Y839 E920	R764-L835 HydrophobicContact CG-CD2 4.13Å; I831-L835 HydrophobicContact CG2-CB 4.4Å; S832-L835 CarbonylContact O-C 3.54Å; S832-L835 WeakPolarHBondContact O-CA 3.49Å; S832-L835 WeakPolarHBondContact O-CB 3.3Å; S832-L835 PolarHBondContact O-N 2.92Å; S832-L835 WeakPolarHBondContact OG-CB 3.27Å; G833-L835 VanDerWaalsContact C-N 3.34Å; L835-R838 WeakPolarHBondContact O-CB 3.47Å; L835-R838 PolarHBondContact O-N 3.46Å; L835-Y839 HydrophobicContact CD1-CE2 4.04Å; L835-Y839 HydrophobicContact CD2-CD2 4.39Å; L835-Y839 HydrophobicContact CD2-CE2 3.68Å; L835-Y839 HydrophobicContact CG-CD2 3.99Å; L835-Y839 HydrophobicContact CG-CE2 3.48Å; L835-Y839 VanDerWaalsContact CG-CE2 3.48Å; L835-Y839 WeakPolarHBondContact O-CD2 3.46Å; L835-Y839 PolarHBondContact O-N 3.18Å; L835-Y839 VanDerWaalsContact O-N 3.08Å; L835-E920 HydrophobicContact CD1-CG 4.26Å
836	F	82.4	Confident	84	Confident	107 Å²	107	52.8 Å²	52.8	47%	0.469	28%	0.275	S	S	.	.	H	α-helix	trans	-58.1	-48.6	169.9	179.9	-99.6	0	0	0	110.6	I831 S832 G833 W834 R838 Y839 M840	I831-F836 HydrophobicContact CG2-CB 3.63Å; I831-F836 HydrophobicContact CG2-CD2 4.26Å; I831-F836 HydrophobicContact CG2-CG 4.47Å; S832-F836 PolarHBondContact O-N 3.32Å; G833-F836 PolarHBondContact O-N 3.15Å; W834-F836 VanDerWaalsContact C-N 3.34Å; F836-R838 VanDerWaalsContact C-N 3.3Å; F836-R838 PolarHBondContact O-N 2.86Å; F836-Y839 PolarHBondContact O-N 2.95Å; F836-M840 HydrophobicContact CE1-SD 4.28Å; F836-M840 HydrophobicContact CZ-SD 4.17Å; F836-M840 VanDerWaalsContact O-CB 3.23Å; F836-M840 WeakPolarHBondContact O-CB 3.43Å; F836-M840 PolarHBondContact O-N 3.47Å
837	L	86.6	Confident	84.8	Confident	84 Å²	84	51.2 Å²	51.2	44%	0.44	26%	0.264	S	S	.	.	H	α-helix	trans	-58.8	-42.3	176.7	-174.5	76.4	0	0	0	111.9	G833 W834 M840 L841	G833-L837 PolarHBondContact O-N 3.33Å; G833-L837 VanDerWaalsContact O-N 3.12Å; W834-L837 HydrophobicContact CE3-CD2 3.97Å; W834-L837 HydrophobicContact CZ3-CD2 3.76Å; W834-L837 WeakPolarHBondContact O-CB 3.49Å; W834-L837 PolarHBondContact O-N 3.36Å; L837-M840 PolarHBondContact O-N 3.02Å; L837-L841 HydrophobicContact CG-CD1 4.46Å; L837-L841 WeakPolarHBondContact O-CG 3.49Å; L837-L841 PolarHBondContact O-N 2.91Å
838	R	87.3	Confident	85.6	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.015	25%	0.248	C	C	.	.	H	α-helix	trans	-58	-53.1	178.6	-172.4	-173.3	171.1	-179.4	-15.7	111.7	W834 L835 F836 M840 L841 I842 E920 D983 Q986	W834-R838 PolarHBondContact O-N 3.26Å; L835-R838 WeakPolarHBondContact O-CB 3.47Å; L835-R838 PolarHBondContact O-N 3.46Å; F836-R838 VanDerWaalsContact C-N 3.3Å; F836-R838 PolarHBondContact O-N 2.86Å; R838-M840 VanDerWaalsContact C-N 3.34Å; R838-L841 WeakPolarHBondContact O-CB 3.32Å; R838-L841 PolarHBondContact O-N 3.16Å; R838-I842 PolarHBondContact O-N 3.35Å; R838-I842 VanDerWaalsContact O-N 3.14Å; R838-E920 PolarHBondContact NH1-O 3.38Å; R838-E920 PolarHBondContact NH2-O 3.34Å; R838-D983 IonicContact CZ-OD1 2.74Å; R838-D983 IonicContact CZ-OD2 3.13Å; R838-D983 IonicContact NE-OD1 3.58Å; R838-D983 PolarHBondContact NE-OD1 2.82Å; R838-D983 IonicContact NH2-OD1 3.59Å; R838-D983 PolarHBondContact NH2-OD1 3.37Å; R838-D983 IonicContact NH2-OD2 2.69Å; R838-D983 PolarHBondContact NH2-OD2 3.33Å; R838-Q986 HydrophobicContact CG-CB 4.17Å; R838-Q986 HydrophobicContact CG-CG 4.4Å
839	Y	85.8	Confident	86.4	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.016	24%	0.236	C	C	.	.	H	α-helix	trans	-72.8	-27.8	179.7	-64.3	-55.1	0	0	0	113	R764 L835 F836 L841 I842 G843	R764-Y839 HydrophobicContact CB-CD2 4.35Å; R764-Y839 HydrophobicContact CB-CE1 4.49Å; R764-Y839 HydrophobicContact CB-CE2 3.55Å; R764-Y839 HydrophobicContact CG-CD2 4.47Å; R764-Y839 HydrophobicContact CG-CE2 3.63Å; L835-Y839 HydrophobicContact CD1-CE2 4.04Å; L835-Y839 HydrophobicContact CD2-CD2 4.39Å; L835-Y839 HydrophobicContact CD2-CE2 3.68Å; L835-Y839 HydrophobicContact CG-CD2 3.99Å; L835-Y839 HydrophobicContact CG-CE2 3.48Å; L835-Y839 VanDerWaalsContact CG-CE2 3.48Å; L835-Y839 WeakPolarHBondContact O-CD2 3.46Å; L835-Y839 PolarHBondContact O-N 3.18Å; L835-Y839 VanDerWaalsContact O-N 3.08Å; F836-Y839 PolarHBondContact O-N 2.95Å; Y839-L841 VanDerWaalsContact C-N 3.33Å; Y839-I842 HydrophobicContact CD1-CD1 4.16Å; Y839-I842 PolarHBondContact O-N 3.03Å; Y839-G843 PolarHBondContact O-N 2.88Å
840	M	87.4	Confident	87.2	Confident	54 Å²	54	39.9 Å²	39.9	27%	0.266	22%	0.216	S	C	.	.	H	α-helix	trans	-60.7	-43.9	169.4	-175.7	95.8	-64.9	0	0	111	I771 F836 L837 R838 G843 I844	I771-M840 HydrophobicContact CB-CE 4.36Å; I771-M840 HydrophobicContact CD1-CE 4.15Å; I771-M840 HydrophobicContact CG1-CE 4.29Å; I771-M840 HydrophobicContact CG2-CE 3.16Å; F836-M840 HydrophobicContact CE1-SD 4.28Å; F836-M840 HydrophobicContact CZ-SD 4.17Å; F836-M840 VanDerWaalsContact O-CB 3.23Å; F836-M840 WeakPolarHBondContact O-CB 3.43Å; F836-M840 PolarHBondContact O-N 3.47Å; L837-M840 PolarHBondContact O-N 3.02Å; R838-M840 VanDerWaalsContact C-N 3.34Å; M840-G843 PolarHBondContact O-N 3.45Å; M840-I844 HydrophobicContact CG-CD1 3.86Å; M840-I844 WeakPolarHBondContact O-CB 3.3Å; M840-I844 WeakPolarHBondContact O-CD1 3.48Å; M840-I844 WeakPolarHBondContact O-CG1 3.33Å; M840-I844 PolarHBondContact O-N 2.9Å
841	L	91.4	Very high	88.2	Confident	87 Å²	87	39.8 Å²	39.8	46%	0.455	22%	0.216	S	C	.	.	H	α-helix	trans	-65.2	-41	177	-71.9	169.6	0	0	0	112.3	L837 R838 Y839 Y845	L837-L841 HydrophobicContact CG-CD1 4.46Å; L837-L841 WeakPolarHBondContact O-CG 3.49Å; L837-L841 PolarHBondContact O-N 2.91Å; R838-L841 WeakPolarHBondContact O-CB 3.32Å; R838-L841 PolarHBondContact O-N 3.16Å; Y839-L841 VanDerWaalsContact C-N 3.33Å; L841-Y845 PolarHBondContact O-N 3.41Å
842	I	91.2	Very high	89.1	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-65.5	-48.2	176.4	-65.4	171.5	0	0	0	110.3	S768 R838 Y839 I844 Y845 V846 V979 D983	S768-I842 WeakPolarHBondContact OG-CG2 3.38Å; R838-I842 PolarHBondContact O-N 3.35Å; R838-I842 VanDerWaalsContact O-N 3.14Å; Y839-I842 HydrophobicContact CD1-CD1 4.16Å; Y839-I842 PolarHBondContact O-N 3.03Å; I842-I844 PolarHBondContact O-N 3.47Å; I842-Y845 WeakPolarHBondContact O-CA 3.39Å; I842-Y845 VanDerWaalsContact O-CB 3.3Å; I842-Y845 WeakPolarHBondContact O-CB 3.16Å; I842-Y845 PolarHBondContact O-N 3.4Å; I842-Y845 VanDerWaalsContact O-N 3.1Å; I842-V846 HydrophobicContact CG2-CG2 4.29Å; I842-V846 WeakPolarHBondContact O-CG2 3.44Å; I842-V846 PolarHBondContact O-N 2.89Å; I842-V979 HydrophobicContact CG2-CG2 3.93Å; I842-D983 HydrophobicContact CD1-CB 4.16Å; I842-D983 WeakPolarHBondContact CD1-OD1 3.35Å
843	G	91	Very high	90	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.9	-42	177.9	0	0	0	0	0	112.7	G772 Y839 M840 Y845 V846 G847	G772-G843 VanDerWaalsContact CA-O 3.22Å; G772-G843 WeakPolarHBondContact CA-O 3.5Å; Y839-G843 PolarHBondContact O-N 2.88Å; M840-G843 PolarHBondContact O-N 3.45Å; G843-Y845 VanDerWaalsContact C-N 3.28Å; G843-Y845 PolarHBondContact O-N 2.95Å; G843-V846 PolarHBondContact O-N 3.27Å; G843-V846 VanDerWaalsContact O-N 3.16Å; G843-G847 PolarHBondContact O-N 2.97Å
844	I	92.1	Very high	90.6	Very high	74 Å²	74	34.5 Å²	34.5	38%	0.379	18%	0.179	S	C	.	.	H	α-helix	trans	-59.3	-42	172.9	-71	165.7	0	0	0	110.9	V775 M840 I842 G847 C848	V775-I844 HydrophobicContact CG2-CG1 4.25Å; M840-I844 HydrophobicContact CG-CD1 3.86Å; M840-I844 WeakPolarHBondContact O-CB 3.3Å; M840-I844 WeakPolarHBondContact O-CD1 3.48Å; M840-I844 WeakPolarHBondContact O-CG1 3.33Å; M840-I844 PolarHBondContact O-N 2.9Å; I842-I844 PolarHBondContact O-N 3.47Å; I844-G847 PolarHBondContact O-N 3.45Å; I844-C848 WeakPolarHBondContact O-CB 3.32Å; I844-C848 PolarHBondContact O-N 3.41Å; I844-C848 PolarHBondContact O-SG 3.02Å
845	Y	95.2	Very high	91.1	Very high	54 Å²	54	29.3 Å²	29.3	21%	0.212	16%	0.162	C	C	.	.	H	α-helix	trans	-60.6	-47.4	174.8	176.8	-96.8	0	0	0	111.6	L841 I842 G843 G847 C848 A849 I909 I975 P978 V979 L982	L841-Y845 PolarHBondContact O-N 3.41Å; I842-Y845 WeakPolarHBondContact O-CA 3.39Å; I842-Y845 VanDerWaalsContact O-CB 3.3Å; I842-Y845 WeakPolarHBondContact O-CB 3.16Å; I842-Y845 PolarHBondContact O-N 3.4Å; I842-Y845 VanDerWaalsContact O-N 3.1Å; G843-Y845 VanDerWaalsContact C-N 3.28Å; G843-Y845 PolarHBondContact O-N 2.95Å; Y845-G847 PolarHBondContact O-N 2.97Å; Y845-C848 PolarHBondContact O-N 3.23Å; Y845-A849 HydrophobicContact CE1-CB 4.28Å; Y845-A849 WeakPolarHBondContact O-CB 3.4Å; Y845-A849 PolarHBondContact O-N 2.86Å; Y845-I909 HydrophobicContact CD1-CD1 4.45Å; Y845-I909 HydrophobicContact CE1-CD1 3.98Å; Y845-I975 PolarHBondContact OH-O 3.5Å; Y845-P978 HydrophobicContact CE2-CB 4.32Å; Y845-P978 VanDerWaalsContact OH-CB 3.31Å; Y845-P978 WeakPolarHBondContact OH-CB 3.44Å; Y845-P978 VanDerWaalsContact OH-CG 3.3Å; Y845-P978 WeakPolarHBondContact OH-CG 3.2Å; Y845-V979 HydrophobicContact CD1-CB 4.29Å; Y845-V979 HydrophobicContact CD1-CG2 4.4Å; Y845-V979 HydrophobicContact CE1-CB 4.12Å; Y845-L982 HydrophobicContact CD1-CD1 4.28Å; Y845-L982 HydrophobicContact CD2-CD1 3.68Å; Y845-L982 HydrophobicContact CE2-CD1 4.05Å; Y845-L982 HydrophobicContact CG-CD1 3.8Å
846	V	94.4	Very high	91.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-56.4	-52.2	178.1	179.9	0	0	0	0	110.4	I842 G843 C848 A849 T850 L906 I909	I842-V846 HydrophobicContact CG2-CG2 4.29Å; I842-V846 WeakPolarHBondContact O-CG2 3.44Å; I842-V846 PolarHBondContact O-N 2.89Å; G843-V846 PolarHBondContact O-N 3.27Å; G843-V846 VanDerWaalsContact O-N 3.16Å; V846-C848 PolarHBondContact O-N 3.02Å; V846-A849 WeakPolarHBondContact O-CB 3.48Å; V846-A849 PolarHBondContact O-N 3.42Å; V846-A849 VanDerWaalsContact O-N 3.1Å; V846-T850 HydrophobicContact CG1-CG2 4.43Å; V846-T850 WeakPolarHBondContact O-CG2 3.36Å; V846-T850 PolarHBondContact O-N 2.8Å; V846-T850 PolarHBondContact O-OG1 2.95Å; V846-L906 HydrophobicContact CG1-CD1 3.53Å; V846-I909 HydrophobicContact CB-CG2 4.43Å; V846-I909 HydrophobicContact CG1-CG2 4.35Å; V846-I909 HydrophobicContact CG2-CG2 3.52Å
847	G	93	Very high	92.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.3	-36.8	-178.9	0	0	0	0	0	113.8	G772 G843 I844 Y845 T850 V851	G772-G847 WeakPolarHBondContact O-CA 3.39Å; G843-G847 PolarHBondContact O-N 2.97Å; I844-G847 PolarHBondContact O-N 3.45Å; Y845-G847 PolarHBondContact O-N 2.97Å; G847-T850 PolarHBondContact O-OG1 3.16Å; G847-V851 WeakPolarHBondContact O-CG2 3.34Å; G847-V851 PolarHBondContact O-N 3.1Å
848	C	95	Very high	92.5	Very high	63 Å²	63	22.4 Å²	22.4	43%	0.426	13%	0.127	S	C	.	.	H	α-helix	trans	-68.5	-37.2	172.2	-73.5	0	0	0	0	112.2	I844 Y845 V846 G852	I844-C848 WeakPolarHBondContact O-CB 3.32Å; I844-C848 PolarHBondContact O-N 3.41Å; I844-C848 PolarHBondContact O-SG 3.02Å; Y845-C848 PolarHBondContact O-N 3.23Å; V846-C848 PolarHBondContact O-N 3.02Å; C848-G852 WeakPolarHBondContact O-CA 3.39Å; C848-G852 PolarHBondContact O-N 3.41Å
849	A	95.7	Very high	92.7	Very high	9 Å²	9	25.2 Å²	25.2	7%	0.074	14%	0.141	C	C	.	.	H	α-helix	trans	-70.1	-40.7	-178.4	0	0	0	0	0	112	Y845 V846 A853 V905 I909 I975	Y845-A849 HydrophobicContact CE1-CB 4.28Å; Y845-A849 WeakPolarHBondContact O-CB 3.4Å; Y845-A849 PolarHBondContact O-N 2.86Å; V846-A849 WeakPolarHBondContact O-CB 3.48Å; V846-A849 PolarHBondContact O-N 3.42Å; V846-A849 VanDerWaalsContact O-N 3.1Å; A849-A853 VanDerWaalsContact O-CB 3.27Å; A849-A853 WeakPolarHBondContact O-CB 3.25Å; A849-A853 PolarHBondContact O-N 3.09Å; A849-V905 HydrophobicContact CB-CG1 4Å; A849-I909 HydrophobicContact CB-CD1 3.71Å; A849-I975 HydrophobicContact CB-CG2 3.74Å
850	T	95.2	Very high	92.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.5	-49.7	177.2	52.2	0	0	0	0	111.6	C776 V846 G847 G852 A853 A854 V905 L906	C776-T850 WeakPolarHBondContact CB-OG1 3.29Å; C776-T850 PolarHBondContact SG-OG1 2.83Å; V846-T850 HydrophobicContact CG1-CG2 4.43Å; V846-T850 WeakPolarHBondContact O-CG2 3.36Å; V846-T850 PolarHBondContact O-N 2.8Å; V846-T850 PolarHBondContact O-OG1 2.95Å; G847-T850 PolarHBondContact O-OG1 3.16Å; T850-G852 VanDerWaalsContact C-N 3.32Å; T850-G852 PolarHBondContact O-N 2.91Å; T850-A853 PolarHBondContact O-N 3.42Å; T850-A854 PolarHBondContact O-N 3.5Å; T850-A854 VanDerWaalsContact O-N 3.09Å; T850-V905 HydrophobicContact CG2-CG1 4.36Å; T850-L906 HydrophobicContact CG2-CB 3.83Å; T850-L906 HydrophobicContact CG2-CD1 4.42Å
851	V	94.3	Very high	93	Very high	12 Å²	12	28 Å²	28	7%	0.073	16%	0.159	C	C	.	.	H	α-helix	trans	-63.7	-41.3	175.9	177.8	0	0	0	0	110.6	C776 L779 T780 M785 G847 A853 A854 A855	C776-V851 HydrophobicContact CB-CG2 4.42Å; C776-V851 WeakPolarHBondContact O-CG2 3.33Å; L779-V851 HydrophobicContact CB-CG2 4.11Å; T780-V851 WeakPolarHBondContact OG1-CG2 3.06Å; M785-V851 HydrophobicContact SD-CG1 3.86Å; G847-V851 WeakPolarHBondContact O-CG2 3.34Å; G847-V851 PolarHBondContact O-N 3.1Å; V851-A853 VanDerWaalsContact C-N 3.32Å; V851-A853 PolarHBondContact O-N 3Å; V851-A854 PolarHBondContact O-N 3.34Å; V851-A855 WeakPolarHBondContact O-CB 3.47Å; V851-A855 PolarHBondContact O-N 3.16Å
852	G	94.2	Very high	92.6	Very high	35 Å²	35	32 Å²	32	36%	0.361	18%	0.175	S	C	.	.	H	α-helix	trans	-60.8	-38	175.3	0	0	0	0	0	113	C848 T850 W856	C848-G852 WeakPolarHBondContact O-CA 3.39Å; C848-G852 PolarHBondContact O-N 3.41Å; T850-G852 VanDerWaalsContact C-N 3.32Å; T850-G852 PolarHBondContact O-N 2.91Å; G852-W856 WeakPolarHBondContact O-CB 3.37Å; G852-W856 PolarHBondContact O-N 3.46Å
853	A	94.6	Very high	92.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-69.8	-41	177.2	0	0	0	0	0	112.5	A849 T850 V851 W856 W857 M901 V905 I975	A849-A853 VanDerWaalsContact O-CB 3.27Å; A849-A853 WeakPolarHBondContact O-CB 3.25Å; A849-A853 PolarHBondContact O-N 3.09Å; T850-A853 PolarHBondContact O-N 3.42Å; V851-A853 VanDerWaalsContact C-N 3.32Å; V851-A853 PolarHBondContact O-N 3Å; A853-W856 PolarHBondContact O-N 2.98Å; A853-W857 PolarHBondContact O-N 3.18Å; A853-M901 HydrophobicContact CB-CB 4.44Å; A853-V905 HydrophobicContact CB-CB 4.28Å; A853-V905 HydrophobicContact CB-CG2 3.67Å; A853-I975 HydrophobicContact CB-CD1 4.03Å
854	A	93.3	Very high	91.9	Very high	8 Å²	8	35.5 Å²	35.5	7%	0.066	21%	0.211	C	C	.	.	H	α-helix	trans	-62.9	-47.5	172.4	0	0	0	0	0	111.1	A788 T850 V851 W856 W857 F858 P898 A902	A788-A854 HydrophobicContact CB-CB 4.28Å; T850-A854 PolarHBondContact O-N 3.5Å; T850-A854 VanDerWaalsContact O-N 3.09Å; V851-A854 PolarHBondContact O-N 3.34Å; A854-W856 VanDerWaalsContact C-N 3.33Å; A854-W856 PolarHBondContact O-N 3.11Å; A854-W857 PolarHBondContact O-N 2.91Å; A854-F858 VanDerWaalsContact O-CD2 3.28Å; A854-F858 WeakPolarHBondContact O-CD2 3.33Å; A854-F858 PolarHBondContact O-N 3.23Å; A854-P898 HydrophobicContact CB-CB 4.22Å; A854-A902 HydrophobicContact CB-CB 4.34Å
855	A	93.1	Very high	91.6	Very high	16 Å²	16	34 Å²	34	13%	0.132	21%	0.207	C	C	.	.	H	α-helix	trans	-63.3	-37.2	177.6	0	0	0	0	0	112.5	V851 W857 F858 M859 L872	V851-A855 WeakPolarHBondContact O-CB 3.47Å; V851-A855 PolarHBondContact O-N 3.16Å; A855-W857 VanDerWaalsContact C-N 3.32Å; A855-W857 PolarHBondContact O-N 3.26Å; A855-F858 PolarHBondContact O-N 3.44Å; A855-M859 WeakPolarHBondContact O-CB 3.39Å; A855-M859 WeakPolarHBondContact O-CG 3.27Å; A855-M859 PolarHBondContact O-N 3.32Å; A855-L872 HydrophobicContact CB-CD2 4.17Å
856	W	94	Very high	91.2	Very high	25 Å²	25	37.3 Å²	37.3	10%	0.095	22%	0.222	C	C	.	.	H	α-helix	trans	-59.8	-42.2	175.3	171.6	89.3	0	0	0	111.6	G852 A853 A854 F858 M859 V860 Y861 M901 A971 L1022	G852-W856 WeakPolarHBondContact O-CB 3.37Å; G852-W856 PolarHBondContact O-N 3.46Å; A853-W856 PolarHBondContact O-N 2.98Å; A854-W856 VanDerWaalsContact C-N 3.33Å; A854-W856 PolarHBondContact O-N 3.11Å; W856-F858 VanDerWaalsContact C-N 3.33Å; W856-F858 PolarHBondContact O-N 2.9Å; W856-M859 PolarHBondContact O-N 3.46Å; W856-V860 HydrophobicContact CG-CB 4.41Å; W856-V860 PolarHBondContact O-N 3Å; W856-Y861 AromaticContact CH2-CD2 3.23Å; W856-Y861 HydrophobicContact CH2-CD2 3.23Å; W856-Y861 AromaticContact CH2-CE2 3.85Å; W856-Y861 HydrophobicContact CH2-CE2 3.85Å; W856-Y861 AromaticContact CH2-CG 3.64Å; W856-Y861 HydrophobicContact CH2-CG 3.64Å; W856-Y861 AromaticContact CZ2-CD2 3.62Å; W856-Y861 HydrophobicContact CZ2-CD2 3.62Å; W856-Y861 HydrophobicContact CZ2-CE2 4.47Å; W856-Y861 HydrophobicContact CZ2-CG 4.12Å; W856-Y861 HydrophobicContact CZ3-CD1 4.48Å; W856-Y861 AromaticContact CZ3-CD2 3.95Å; W856-Y861 HydrophobicContact CZ3-CD2 3.95Å; W856-Y861 AromaticContact CZ3-CG 3.88Å; W856-Y861 HydrophobicContact CZ3-CG 3.88Å; W856-Y861 PolarHBondContact O-N 2.94Å; W856-M901 HydrophobicContact CE3-CE 3.83Å; W856-M901 HydrophobicContact CZ3-CE 3.6Å; W856-M901 HydrophobicContact CZ3-SD 4.46Å; W856-A971 HydrophobicContact CE3-CB 4.33Å; W856-A971 HydrophobicContact CH2-CB 3.51Å; W856-A971 HydrophobicContact CZ2-CB 3.72Å; W856-A971 HydrophobicContact CZ3-CB 3.85Å; W856-L1022 WeakPolarHBondContact CZ2-OXT 3.48Å; W856-L1022 PolarHBondContact NE1-OXT 3.3Å; W856-L1022 VanDerWaalsContact NE1-OXT 3.15Å
857	W	93.5	Very high	90.9	Very high	17 Å²	17	37.5 Å²	37.5	6%	0.064	22%	0.223	C	C	.	.	H	α-helix	trans	-63	-40	176.6	-172.9	90.3	0	0	0	112	A853 A854 A855 Y861 P865 V892 K897 P898 M901	A853-W857 PolarHBondContact O-N 3.18Å; A854-W857 PolarHBondContact O-N 2.91Å; A855-W857 VanDerWaalsContact C-N 3.32Å; A855-W857 PolarHBondContact O-N 3.26Å; W857-Y861 AromaticContact CD1-CD1 3.77Å; W857-Y861 AromaticContact NE1-CD1 3.93Å; W857-P865 HydrophobicContact CZ3-CG 4.12Å; W857-V892 HydrophobicContact CH2-CG2 4.04Å; W857-V892 HydrophobicContact CZ3-CG2 4.23Å; W857-K897 HydrophobicContact CD2-CB 4.24Å; W857-K897 HydrophobicContact CH2-CB 4.21Å; W857-K897 HydrophobicContact CZ2-CB 3.55Å; W857-K897 HydrophobicContact CZ2-CG 4.06Å; W857-P898 HydrophobicContact CE3-CB 4.08Å; W857-P898 HydrophobicContact CE3-CG 4.04Å; W857-P898 HydrophobicContact CZ3-CG 4.23Å; W857-M901 HydrophobicContact CB-CG 4.34Å; W857-M901 HydrophobicContact CG-CG 4.49Å
858	F	91.3	Very high	90.7	Very high	6 Å²	6	41.4 Å²	41.4	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-70.1	-44.6	177.8	-81.7	-64.1	0	0	0	113.3	P786 A854 A855 W856 P865 K866 V867 L872 F893 P898	P786-F858 HydrophobicContact CB-CE2 4.42Å; P786-F858 HydrophobicContact CB-CZ 4.44Å; P786-F858 HydrophobicContact CG-CE2 4.16Å; P786-F858 HydrophobicContact CG-CZ 4.13Å; A854-F858 VanDerWaalsContact O-CD2 3.28Å; A854-F858 WeakPolarHBondContact O-CD2 3.33Å; A854-F858 PolarHBondContact O-N 3.23Å; A855-F858 PolarHBondContact O-N 3.44Å; W856-F858 VanDerWaalsContact C-N 3.33Å; W856-F858 PolarHBondContact O-N 2.9Å; F858-P865 HydrophobicContact CD1-CG 3.99Å; F858-K866 VanDerWaalsContact O-CA 3.31Å; F858-K866 WeakPolarHBondContact O-CA 3.2Å; F858-K866 PolarHBondContact O-N 2.96Å; F858-V867 HydrophobicContact CB-CG2 3.67Å; F858-V867 HydrophobicContact CD1-CG2 4.13Å; F858-V867 HydrophobicContact CG-CG2 4.29Å; F858-V867 WeakPolarHBondContact O-CG2 3.19Å; F858-V867 PolarHBondContact O-N 2.86Å; F858-L872 HydrophobicContact CB-CD1 3.96Å; F858-L872 HydrophobicContact CB-CD2 4.31Å; F858-L872 HydrophobicContact CD1-CD1 4.12Å; F858-L872 HydrophobicContact CD2-CD1 3.51Å; F858-L872 HydrophobicContact CE2-CD1 3.94Å; F858-L872 HydrophobicContact CG-CD1 3.61Å; F858-L872 HydrophobicContact CZ-CD1 4.42Å; F858-F893 HydrophobicContact CD1-CD1 4.4Å; F858-F893 AromaticContact CE1-CD1 3.84Å; F858-F893 HydrophobicContact CE1-CD1 3.84Å; F858-F893 HydrophobicContact CE1-CE1 4.39Å; F858-F893 HydrophobicContact CZ-CD1 4.26Å; F858-P898 HydrophobicContact CD2-CB 4.07Å; F858-P898 HydrophobicContact CE1-CG 4.41Å; F858-P898 HydrophobicContact CE2-CB 3.51Å; F858-P898 HydrophobicContact CE2-CG 3.65Å; F858-P898 HydrophobicContact CZ-CB 3.99Å; F858-P898 HydrophobicContact CZ-CG 3.57Å
859	M	90.7	Very high	90.4	Very high	63 Å²	63	44 Å²	44	31%	0.31	25%	0.246	S	C	.	.	H	α-helix	trans	-100.5	-39.7	-164.6	-62.1	-179.1	61.4	0	0	114.2	A855 W856 V867 Y869 L872	A855-M859 WeakPolarHBondContact O-CB 3.39Å; A855-M859 WeakPolarHBondContact O-CG 3.27Å; A855-M859 PolarHBondContact O-N 3.32Å; W856-M859 PolarHBondContact O-N 3.46Å; M859-V867 WeakPolarHBondContact CA-O 3.4Å; M859-V867 WeakPolarHBondContact CG-O 3.19Å; M859-Y869 HydrophobicContact SD-CD2 4.46Å; M859-L872 HydrophobicContact CG-CD2 4.21Å; M859-L872 HydrophobicContact SD-CD2 4.09Å
860	V	89.4	Confident	89.9	Confident	89 Å²	89	48.8 Å²	48.8	54%	0.539	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-40.2	-164.4	-178	0	0	0	0	112	W856 E862	W856-V860 HydrophobicContact CG-CB 4.41Å; W856-V860 PolarHBondContact O-N 3Å; V860-E862 PolarHBondContact O-N 3.46Å
861	Y	89.8	Confident	89.5	Confident	29 Å²	29	49.7 Å²	49.7	11%	0.114	27%	0.267	C	S	.	.			trans	-60.4	131.8	-171.3	-179.8	-129.2	0	0	0	112.8	W856 W857 G863 G864 N965 A967 E968	W856-Y861 AromaticContact CH2-CD2 3.23Å; W856-Y861 HydrophobicContact CH2-CD2 3.23Å; W856-Y861 AromaticContact CH2-CE2 3.85Å; W856-Y861 HydrophobicContact CH2-CE2 3.85Å; W856-Y861 AromaticContact CH2-CG 3.64Å; W856-Y861 HydrophobicContact CH2-CG 3.64Å; W856-Y861 AromaticContact CZ2-CD2 3.62Å; W856-Y861 HydrophobicContact CZ2-CD2 3.62Å; W856-Y861 HydrophobicContact CZ2-CE2 4.47Å; W856-Y861 HydrophobicContact CZ2-CG 4.12Å; W856-Y861 HydrophobicContact CZ3-CD1 4.48Å; W856-Y861 AromaticContact CZ3-CD2 3.95Å; W856-Y861 HydrophobicContact CZ3-CD2 3.95Å; W856-Y861 AromaticContact CZ3-CG 3.88Å; W856-Y861 HydrophobicContact CZ3-CG 3.88Å; W856-Y861 PolarHBondContact O-N 2.94Å; W857-Y861 AromaticContact CD1-CD1 3.77Å; W857-Y861 AromaticContact NE1-CD1 3.93Å; Y861-G863 VanDerWaalsContact C-N 3.28Å; Y861-G863 PolarHBondContact O-N 3.07Å; Y861-G864 PolarHBondContact O-N 3.29Å; Y861-N965 PolarHBondContact OH-ND2 2.77Å; Y861-N965 PolarHBondContact OH-OD1 3.5Å; Y861-A967 HydrophobicContact CE2-CB 4.35Å; Y861-E968 HydrophobicContact CE1-CG 4.02Å
862	E	84.6	Confident	89.2	Confident	170 Å²	170	49.2 Å²	49.2	79%	0.794	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-34	-175.1	-69.9	-170.4	161.4	0	0	113.8	V860 G864	V860-E862 PolarHBondContact O-N 3.46Å; E862-G864 VanDerWaalsContact C-N 3.31Å
863	G	82.1	Confident	88.8	Confident	60 Å²	60	48.5 Å²	48.5	62%	0.619	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-1.8	175.4	0	0	0	0	0	114.3	Y861	Y861-G863 VanDerWaalsContact C-N 3.28Å; Y861-G863 PolarHBondContact O-N 3.07Å
864	G	84.2	Confident	88.3	Confident	15 Å²	15	51.5 Å²	51.5	16%	0.155	27%	0.266	C	S	.	.	S	Bend	trans	-90.9	178.1	177.6	0	0	0	0	0	113.1	Y861 E862 K866	Y861-G864 PolarHBondContact O-N 3.29Å; E862-G864 VanDerWaalsContact C-N 3.31Å; G864-K866 VanDerWaalsContact C-N 3.28Å; G864-K866 PolarHBondContact O-N 3.45Å
865	P	86.3	Confident	87.8	Confident	43 Å²	43	52.3 Å²	52.3	28%	0.279	27%	0.269	S	S	.	.			trans	-74.5	-10.5	-176.2	28.8	-34.2	0	0	0	115	W857 F858 V867 V892	W857-P865 HydrophobicContact CZ3-CG 4.12Å; F858-P865 HydrophobicContact CD1-CG 3.99Å; P865-V867 VanDerWaalsContact C-N 3.32Å; P865-V867 HydrophobicContact CB-CG1 4.24Å; P865-V867 HydrophobicContact CG-CG1 4.37Å; P865-V867 PolarHBondContact O-N 3.45Å; P865-V892 HydrophobicContact CB-CG1 4.05Å; P865-V892 HydrophobicContact CB-CG2 3.96Å; P865-V892 HydrophobicContact CG-CG1 4.03Å; P865-V892 HydrophobicContact CG-CG2 3.86Å
866	K	86.9	Confident	87	Confident	124 Å²	124	55.1 Å²	55.1	54%	0.539	28%	0.281	S	S	.	.			trans	51.9	46.3	-178.5	-59.9	-175.6	-179.6	-176.9	0	113.2	F858 G864	F858-K866 VanDerWaalsContact O-CA 3.31Å; F858-K866 WeakPolarHBondContact O-CA 3.2Å; F858-K866 PolarHBondContact O-N 2.96Å; G864-K866 VanDerWaalsContact C-N 3.28Å; G864-K866 PolarHBondContact O-N 3.45Å
867	V	88.4	Confident	86.3	Confident	4 Å²	4	55.7 Å²	55.7	2%	0.024	29%	0.285	C	S	.	.			trans	-72.2	148.8	175.1	-69.8	0	0	0	0	110.8	F858 M859 P865 Q871 L872 V888 F893	F858-V867 HydrophobicContact CB-CG2 3.67Å; F858-V867 HydrophobicContact CD1-CG2 4.13Å; F858-V867 HydrophobicContact CG-CG2 4.29Å; F858-V867 WeakPolarHBondContact O-CG2 3.19Å; F858-V867 PolarHBondContact O-N 2.86Å; M859-V867 WeakPolarHBondContact CA-O 3.4Å; M859-V867 WeakPolarHBondContact CG-O 3.19Å; P865-V867 VanDerWaalsContact C-N 3.32Å; P865-V867 HydrophobicContact CB-CG1 4.24Å; P865-V867 HydrophobicContact CG-CG1 4.37Å; P865-V867 PolarHBondContact O-N 3.45Å; V867-Q871 HydrophobicContact CB-CB 4.22Å; V867-L872 HydrophobicContact CG2-CB 4.45Å; V867-V888 HydrophobicContact CG1-CB 4.36Å; V867-V888 HydrophobicContact CG1-CG1 3.64Å; V867-V888 HydrophobicContact CG1-CG2 3.74Å; V867-F893 HydrophobicContact CG1-CE1 4.43Å; V867-F893 HydrophobicContact CG1-CZ 4.16Å; V867-F893 HydrophobicContact CG2-CE1 4.46Å
868	N	88.6	Confident	85.6	Confident	81 Å²	81	55 Å²	55	43%	0.433	28%	0.283	S	S	.	.			trans	-80.5	165.8	172.8	70.5	28.6	0	0	0	111	Y870 Q871 L872	N868-Y870 VanDerWaalsContact C-N 3.28Å; N868-Y870 PolarHBondContact O-N 2.69Å; N868-Y870 PolarHBondContact OD1-N 3.32Å; N868-Q871 PolarHBondContact O-N 3.08Å; N868-Q871 WeakPolarHBondContact OD1-CB 3.25Å; N868-Q871 WeakPolarHBondContact OD1-CG 3.39Å; N868-Q871 PolarHBondContact OD1-N 2.78Å; N868-L872 PolarHBondContact O-N 3.42Å; N868-L872 VanDerWaalsContact O-N 3.09Å
869	Y	87.9	Confident	84.8	Confident	117 Å²	117	62.9 Å²	62.9	46%	0.459	32%	0.32	S	S	.	.	H	α-helix	trans	-57.9	-39.6	-177.5	-179.6	-104.6	0	0	0	113	M785 M859 L872 T873	M785-Y869 HydrophobicContact CE-CD2 4.17Å; M785-Y869 HydrophobicContact CE-CE2 3.53Å; M859-Y869 HydrophobicContact SD-CD2 4.46Å; Y869-L872 PolarHBondContact O-N 2.97Å; Y869-T873 HydrophobicContact CD1-CG2 4.35Å; Y869-T873 HydrophobicContact CD2-CG2 4.26Å; Y869-T873 HydrophobicContact CE1-CG2 3.9Å; Y869-T873 HydrophobicContact CE2-CG2 3.8Å; Y869-T873 WeakPolarHBondContact O-CG2 3.34Å; Y869-T873 PolarHBondContact O-N 3.5Å; Y869-T873 PolarHBondContact O-OG1 3.48Å
870	Y	86.3	Confident	84	Confident	110 Å²	110	65 Å²	65	43%	0.431	33%	0.332	S	S	.	.	H	α-helix	trans	-63	-45.8	179.3	179.9	-92.5	0	0	0	111.9	N868 L872 T873 H874	N868-Y870 VanDerWaalsContact C-N 3.28Å; N868-Y870 PolarHBondContact O-N 2.69Å; N868-Y870 PolarHBondContact OD1-N 3.32Å; Y870-L872 VanDerWaalsContact C-N 3.28Å; Y870-L872 PolarHBondContact O-N 3.44Å; Y870-T873 PolarHBondContact O-N 3.21Å; Y870-T873 PolarHBondContact O-OG1 2.89Å; Y870-H874 AromaticContact CD2-ND1 3.91Å; Y870-H874 AromaticContact CE2-CE1 3.75Å; Y870-H874 AromaticContact CE2-ND1 3.85Å; Y870-H874 AromaticContact CE2-NE2 3.98Å; Y870-H874 WeakPolarHBondContact O-CB 3.31Å; Y870-H874 PolarHBondContact O-N 3.01Å; Y870-H874 PolarHBondContact O-ND1 3.1Å
871	Q	86.1	Confident	83.5	Confident	20 Å²	20	64.8 Å²	64.8	9%	0.093	33%	0.325	C	S	.	.	H	α-helix	trans	-61.7	-37.3	176.4	-74	170.4	-17.3	0	0	111.5	V867 N868 H875 A884 F885	V867-Q871 HydrophobicContact CB-CB 4.22Å; N868-Q871 PolarHBondContact O-N 3.08Å; N868-Q871 WeakPolarHBondContact OD1-CB 3.25Å; N868-Q871 WeakPolarHBondContact OD1-CG 3.39Å; N868-Q871 PolarHBondContact OD1-N 2.78Å; Q871-H875 WeakPolarHBondContact O-CA 3.36Å; Q871-H875 PolarHBondContact O-N 3.48Å; Q871-A884 PolarHBondContact NE2-O 2.74Å; Q871-F885 HydrophobicContact CB-CD1 4.05Å; Q871-F885 HydrophobicContact CB-CE1 3.68Å; Q871-F885 HydrophobicContact CB-CZ 4.42Å; Q871-F885 HydrophobicContact CG-CD1 3.91Å; Q871-F885 HydrophobicContact CG-CE1 3.92Å; Q871-F885 VanDerWaalsContact O-CE1 3.27Å; Q871-F885 WeakPolarHBondContact O-CE1 3.37Å
872	L	87.2	Confident	82.7	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-68.1	-45.5	178.4	-174.8	62.5	0	0	0	112.4	M785 P786 A855 F858 M859 V867 N868 Y869 Y870 H874 H875 F893	M785-L872 HydrophobicContact CE-CD2 4.16Å; M785-L872 HydrophobicContact CG-CD2 4.32Å; M785-L872 HydrophobicContact CG-CG 4.24Å; M785-L872 HydrophobicContact SD-CD2 4.1Å; P786-L872 HydrophobicContact CG-CD1 3.88Å; A855-L872 HydrophobicContact CB-CD2 4.17Å; F858-L872 HydrophobicContact CB-CD1 3.96Å; F858-L872 HydrophobicContact CB-CD2 4.31Å; F858-L872 HydrophobicContact CD1-CD1 4.12Å; F858-L872 HydrophobicContact CD2-CD1 3.51Å; F858-L872 HydrophobicContact CE2-CD1 3.94Å; F858-L872 HydrophobicContact CG-CD1 3.61Å; F858-L872 HydrophobicContact CZ-CD1 4.42Å; M859-L872 HydrophobicContact CG-CD2 4.21Å; M859-L872 HydrophobicContact SD-CD2 4.09Å; V867-L872 HydrophobicContact CG2-CB 4.45Å; N868-L872 PolarHBondContact O-N 3.42Å; N868-L872 VanDerWaalsContact O-N 3.09Å; Y869-L872 PolarHBondContact O-N 2.97Å; Y870-L872 VanDerWaalsContact C-N 3.28Å; Y870-L872 PolarHBondContact O-N 3.44Å; L872-H874 VanDerWaalsContact C-N 3.33Å; L872-H874 PolarHBondContact O-N 3.48Å; L872-H875 WeakPolarHBondContact O-CB 3.33Å; L872-H875 PolarHBondContact O-ND1 3Å; L872-F893 HydrophobicContact CD1-CD1 4.42Å; L872-F893 HydrophobicContact CD1-CE1 4.19Å
873	T	85.8	Confident	82.4	Confident	21 Å²	21	63.6 Å²	63.6	13%	0.129	34%	0.337	C	S	.	.	H	α-helix	trans	-76.4	-19.7	-178.2	57.5	0	0	0	0	113.7	L783 G784 M785 Y869 Y870	L783-T873 VanDerWaalsContact O-CB 3.25Å; L783-T873 WeakPolarHBondContact O-CB 3.49Å; L783-T873 WeakPolarHBondContact O-CG2 3.3Å; G784-T873 CarbonylContact O-C 3.5Å; G784-T873 WeakPolarHBondContact O-CA 3.43Å; M785-T873 HydrophobicContact CE-CG2 4.41Å; M785-T873 HydrophobicContact CG-CG2 4.32Å; Y869-T873 HydrophobicContact CD1-CG2 4.35Å; Y869-T873 HydrophobicContact CD2-CG2 4.26Å; Y869-T873 HydrophobicContact CE1-CG2 3.9Å; Y869-T873 HydrophobicContact CE2-CG2 3.8Å; Y869-T873 WeakPolarHBondContact O-CG2 3.34Å; Y869-T873 PolarHBondContact O-N 3.5Å; Y869-T873 PolarHBondContact O-OG1 3.48Å; Y870-T873 PolarHBondContact O-N 3.21Å; Y870-T873 PolarHBondContact O-OG1 2.89Å
874	H	84.9	Confident	82.2	Confident	62 Å²	62	62.1 Å²	62.1	29%	0.287	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	23.7	177.1	-64.5	67.2	0	0	0	112	Y870 L872 L876 Q877 F885	Y870-H874 AromaticContact CD2-ND1 3.91Å; Y870-H874 AromaticContact CE2-CE1 3.75Å; Y870-H874 AromaticContact CE2-ND1 3.85Å; Y870-H874 AromaticContact CE2-NE2 3.98Å; Y870-H874 WeakPolarHBondContact O-CB 3.31Å; Y870-H874 PolarHBondContact O-N 3.01Å; Y870-H874 PolarHBondContact O-ND1 3.1Å; L872-H874 VanDerWaalsContact C-N 3.33Å; L872-H874 PolarHBondContact O-N 3.48Å; H874-L876 PolarHBondContact O-N 2.82Å; H874-Q877 WeakPolarHBondContact O-CB 3.39Å; H874-Q877 PolarHBondContact O-N 3.47Å; H874-F885 HydrophobicContact CB-CZ 4.44Å; H874-F885 WeakPolarHBondContact O-CZ 3.32Å
875	H	82.4	Confident	82.1	Confident	25 Å²	25	61.7 Å²	61.7	12%	0.116	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-51.4	-35.3	-171.9	68.1	-79.8	0	0	0	114.2	G784 P786 Q871 L872 Q877 C878 F893	G784-H875 PolarHBondContact O-CE1 2.84Å; G784-H875 VanDerWaalsContact O-CE1 3.32Å; G784-H875 PolarHBondContact O-ND1 2.7Å; P786-H875 HydrophobicContact CG-CB 4.17Å; Q871-H875 WeakPolarHBondContact O-CA 3.36Å; Q871-H875 PolarHBondContact O-N 3.48Å; L872-H875 WeakPolarHBondContact O-CB 3.33Å; L872-H875 PolarHBondContact O-ND1 3Å; H875-Q877 PolarHBondContact O-N 3.44Å; H875-C878 WeakPolarHBondContact O-CB 3.36Å; H875-C878 PolarHBondContact O-N 3.2Å; H875-C878 VanDerWaalsContact O-N 3.08Å; H875-F893 HydrophobicContact CB-CB 4.31Å; H875-F893 HydrophobicContact CB-CD1 3.65Å; H875-F893 HydrophobicContact CB-CD2 4.05Å; H875-F893 HydrophobicContact CB-CE1 3.87Å; H875-F893 HydrophobicContact CB-CE2 4.26Å; H875-F893 HydrophobicContact CB-CG 3.75Å; H875-F893 HydrophobicContact CB-CZ 4.17Å
876	L	77	Confident	81.7	Confident	76 Å²	76	68 Å²	68	40%	0.398	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-66.2	-20.4	178.8	-58	170.6	0	0	0	113.4	V284 H874 C878	V284-L876 HydrophobicContact CB-CB 4.49Å; V284-L876 HydrophobicContact CG1-CB 3.13Å; V284-L876 HydrophobicContact CG1-CD1 3.87Å; V284-L876 HydrophobicContact CG1-CG 4.08Å; H874-L876 PolarHBondContact O-N 2.82Å; L876-C878 VanDerWaalsContact C-N 3.27Å; L876-C878 PolarHBondContact O-N 3.41Å
877	Q	78.5	Confident	81.3	Confident	36 Å²	36	66.4 Å²	66.4	17%	0.168	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-80.2	-4.8	174.8	-65.3	176.4	-7	0	0	112.9	V284 H874 H875 Q879 L880 E881 F885	V284-Q877 HydrophobicContact CG2-CG 3.57Å; H874-Q877 WeakPolarHBondContact O-CB 3.39Å; H874-Q877 PolarHBondContact O-N 3.47Å; H875-Q877 PolarHBondContact O-N 3.44Å; Q877-Q879 VanDerWaalsContact C-N 3.26Å; Q877-Q879 PolarHBondContact O-N 3.19Å; Q877-Q879 VanDerWaalsContact O-N 3.16Å; Q877-L880 PolarHBondContact O-N 3.36Å; Q877-E881 PolarHBondContact O-N 3.14Å; Q877-F885 HydrophobicContact CB-CE2 4.27Å
878	C	78.3	Confident	80.9	Confident	4 Å²	4	67.4 Å²	67.4	3%	0.027	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-38	-173.6	-172.3	0	0	0	0	113.5	H875 L876 F885 C890 F893	H875-C878 WeakPolarHBondContact O-CB 3.36Å; H875-C878 PolarHBondContact O-N 3.2Å; H875-C878 VanDerWaalsContact O-N 3.08Å; L876-C878 VanDerWaalsContact C-N 3.27Å; L876-C878 PolarHBondContact O-N 3.41Å; C878-F885 HydrophobicContact CB-CD1 3.93Å; C878-F885 HydrophobicContact CB-CD2 4.19Å; C878-F885 HydrophobicContact CB-CE1 4.02Å; C878-F885 HydrophobicContact CB-CE2 4.31Å; C878-F885 HydrophobicContact CB-CG 4.01Å; C878-F885 HydrophobicContact CB-CZ 4.23Å; C878-C890 HydrophobicContact CB-CB 3.84Å; C878-C890 WeakPolarHBondContact CB-SG 3.37Å; C878-C890 PolarHBondContact O-SG 2.96Å; C878-C890 VanDerWaalsContact O-SG 3.41Å; C878-C890 WeakPolarHBondContact SG-CA 3.5Å; C878-C890 WeakPolarHBondContact SG-CB 3.31Å; C878-C890 CovalentContact SG-SG 2.04Å; C878-C890 PolarHBondContact SG-SG 3.46Å; C878-F893 HydrophobicContact CB-CD2 4.48Å; C878-F893 HydrophobicContact CB-CE2 4.24Å
879	Q	74.7	Confident	80.6	Confident	171 Å²	171	69 Å²	69	80%	0.799	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-26.5	176.7	-65.5	-171.9	-3.6	0	0	113.5	Q877	Q877-Q879 VanDerWaalsContact C-N 3.26Å; Q877-Q879 PolarHBondContact O-N 3.19Å; Q877-Q879 VanDerWaalsContact O-N 3.16Å
880	L	74.7	Confident	80.4	Confident	106 Å²	106	65.4 Å²	65.4	56%	0.555	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-31.4	-174.6	-69	164.6	0	0	0	112.5	V284 Q877 P882	V284-L880 VanDerWaalsContact CA-CD1 3.5Å; V284-L880 HydrophobicContact CB-CD1 4.41Å; V284-L880 HydrophobicContact CG2-CD1 4.33Å; Q877-L880 PolarHBondContact O-N 3.36Å; L880-P882 VanDerWaalsContact C-CD 3.48Å; L880-P882 WeakPolarHBondContact O-CD 3.5Å
881	E	78.3	Confident	80.2	Confident	86 Å²	86	63.9 Å²	63.9	40%	0.402	37%	0.366	S	S	.	.			trans	-128.8	66.6	-176.6	-159.3	172.3	-174.6	0	0	112.1	Q877 S883 A884	Q877-E881 PolarHBondContact O-N 3.14Å; E881-S883 PolarHBondContact O-N 2.99Å; E881-A884 HydrophobicContact CG-CB 4.26Å; E881-A884 PolarHBondContact O-N 3.14Å
882	P	73.9	Confident	80.2	Confident	91 Å²	91	64.4 Å²	64.4	59%	0.591	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.4	-174.6	22.1	-32.1	0	0	0	113.8	L880 F885	L880-P882 VanDerWaalsContact C-CD 3.48Å; L880-P882 WeakPolarHBondContact O-CD 3.5Å; P882-F885 PolarHBondContact O-N 3.28Å
883	S	78	Confident	80.1	Confident	82 Å²	82	65.3 Å²	65.3	57%	0.573	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-34.9	173.6	40.6	0	0	0	0	113.5	E881 F885	E881-S883 PolarHBondContact O-N 2.99Å; S883-F885 VanDerWaalsContact C-N 3.33Å
884	A	77.7	Confident	79.8	Confident	29 Å²	29	68.3 Å²	68.3	24%	0.24	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-18.4	179.6	0	0	0	0	0	112.8	Q871 E881	Q871-A884 PolarHBondContact NE2-O 2.74Å; E881-A884 HydrophobicContact CG-CB 4.26Å; E881-A884 PolarHBondContact O-N 3.14Å
885	F	82.7	Confident	80	Confident	7 Å²	7	66.6 Å²	66.6	3%	0.031	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	29.6	-174.8	-68.5	-94.4	0	0	0	113.5	Q871 H874 Q877 C878 P882 S883 G887 V888 F893	Q871-F885 HydrophobicContact CB-CD1 4.05Å; Q871-F885 HydrophobicContact CB-CE1 3.68Å; Q871-F885 HydrophobicContact CB-CZ 4.42Å; Q871-F885 HydrophobicContact CG-CD1 3.91Å; Q871-F885 HydrophobicContact CG-CE1 3.92Å; Q871-F885 VanDerWaalsContact O-CE1 3.27Å; Q871-F885 WeakPolarHBondContact O-CE1 3.37Å; H874-F885 HydrophobicContact CB-CZ 4.44Å; H874-F885 WeakPolarHBondContact O-CZ 3.32Å; Q877-F885 HydrophobicContact CB-CE2 4.27Å; C878-F885 HydrophobicContact CB-CD1 3.93Å; C878-F885 HydrophobicContact CB-CD2 4.19Å; C878-F885 HydrophobicContact CB-CE1 4.02Å; C878-F885 HydrophobicContact CB-CE2 4.31Å; C878-F885 HydrophobicContact CB-CG 4.01Å; C878-F885 HydrophobicContact CB-CZ 4.23Å; P882-F885 PolarHBondContact O-N 3.28Å; S883-F885 VanDerWaalsContact C-N 3.33Å; F885-G887 PolarHBondContact O-N 3.34Å; F885-V888 PolarHBondContact O-N 3.1Å; F885-V888 VanDerWaalsContact O-N 3.15Å; F885-F893 HydrophobicContact CD1-CE2 4.03Å; F885-F893 HydrophobicContact CD1-CZ 4.22Å; F885-F893 AromaticContact CE1-CE2 3.92Å; F885-F893 HydrophobicContact CE1-CE2 3.92Å; F885-F893 AromaticContact CE1-CZ 3.9Å; F885-F893 HydrophobicContact CE1-CZ 3.9Å
886	K	76.6	Confident	80.3	Confident	175 Å²	175	67.5 Å²	67.5	76%	0.761	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	123.6	178.5	-87.4	-176.3	176.1	177.5	0	111.9
887	G	79	Confident	81	Confident	90 Å²	90	66 Å²	66	93%	0.928	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	90	0.1	176.8	0	0	0	0	0	115	F885	F885-G887 PolarHBondContact O-N 3.34Å
888	V	79.6	Confident	81.6	Confident	26 Å²	26	64.5 Å²	64.5	16%	0.158	39%	0.389	C	S	.	.			trans	-114.5	128.8	-178.5	-174.9	0	0	0	0	109	V867 F885 V892 F893	V867-V888 HydrophobicContact CG1-CB 4.36Å; V867-V888 HydrophobicContact CG1-CG1 3.64Å; V867-V888 HydrophobicContact CG1-CG2 3.74Å; F885-V888 PolarHBondContact O-N 3.1Å; F885-V888 VanDerWaalsContact O-N 3.15Å; V888-V892 HydrophobicContact CG1-CG1 3.95Å; V888-F893 HydrophobicContact CG1-CE2 4.16Å; V888-F893 HydrophobicContact CG1-CZ 4.28Å
889	N	82.9	Confident	82.3	Confident	115 Å²	115	65.2 Å²	65.2	62%	0.615	39%	0.392	S	S	*	.			trans	-81.7	125.2	170.6	-169.5	-17.4	0	0	0	109.1	S891 V892	N889-S891 VanDerWaalsContact CG-OG 3.29Å; N889-S891 PolarHBondContact ND2-OG 3.09Å; N889-S891 PolarHBondContact O-N 2.81Å; N889-S891 VanDerWaalsContact O-N 3.11Å; N889-S891 PolarHBondContact OD1-N 3.35Å; N889-S891 PolarHBondContact OD1-OG 3.42Å; N889-V892 WeakPolarHBondContact O-CB 3.48Å; N889-V892 WeakPolarHBondContact O-CG1 3.22Å; N889-V892 PolarHBondContact O-N 3.43Å
890	C	82.8	Confident	83.3	Confident	41 Å²	41	57.1 Å²	57.1	28%	0.277	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-59.9	-23.5	-178.1	-57.3	0	0	0	0	113.4	C878 V892 F893	C878-C890 HydrophobicContact CB-CB 3.84Å; C878-C890 WeakPolarHBondContact CB-SG 3.37Å; C878-C890 PolarHBondContact O-SG 2.96Å; C878-C890 VanDerWaalsContact O-SG 3.41Å; C878-C890 WeakPolarHBondContact SG-CA 3.5Å; C878-C890 WeakPolarHBondContact SG-CB 3.31Å; C878-C890 CovalentContact SG-SG 2.04Å; C878-C890 PolarHBondContact SG-SG 3.46Å; C890-V892 PolarHBondContact O-N 3.47Å; C890-V892 VanDerWaalsContact O-N 3.16Å; C890-F893 PolarHBondContact O-N 2.87Å
891	S	83.3	Confident	84.3	Confident	77 Å²	77	52 Å²	52	54%	0.538	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-62.9	-18.4	174.7	64	0	0	0	0	113.6	N889 F893 A894	N889-S891 VanDerWaalsContact CG-OG 3.29Å; N889-S891 PolarHBondContact ND2-OG 3.09Å; N889-S891 PolarHBondContact O-N 2.81Å; N889-S891 VanDerWaalsContact O-N 3.11Å; N889-S891 PolarHBondContact OD1-N 3.35Å; N889-S891 PolarHBondContact OD1-OG 3.42Å; S891-F893 VanDerWaalsContact C-N 3.27Å; S891-F893 PolarHBondContact O-N 3.09Å; S891-A894 PolarHBondContact O-N 2.93Å
892	V	85.2	Confident	85.1	Confident	31 Å²	31	48 Å²	48	19%	0.188	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-68.5	-26.9	-178.6	90.7	0	0	0	0	112.8	W857 P865 V888 N889 C890 A894 S895	W857-V892 HydrophobicContact CH2-CG2 4.04Å; W857-V892 HydrophobicContact CZ3-CG2 4.23Å; P865-V892 HydrophobicContact CB-CG1 4.05Å; P865-V892 HydrophobicContact CB-CG2 3.96Å; P865-V892 HydrophobicContact CG-CG1 4.03Å; P865-V892 HydrophobicContact CG-CG2 3.86Å; V888-V892 HydrophobicContact CG1-CG1 3.95Å; N889-V892 WeakPolarHBondContact O-CB 3.48Å; N889-V892 WeakPolarHBondContact O-CG1 3.22Å; N889-V892 PolarHBondContact O-N 3.43Å; C890-V892 PolarHBondContact O-N 3.47Å; C890-V892 VanDerWaalsContact O-N 3.16Å; V892-A894 PolarHBondContact O-N 3.24Å; V892-S895 WeakPolarHBondContact O-CB 3.47Å; V892-S895 PolarHBondContact O-N 3.48Å; V892-S895 VanDerWaalsContact O-N 3.15Å
893	F	85.4	Confident	86.1	Confident	20 Å²	20	43.7 Å²	43.7	9%	0.088	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-72.7	-18.7	177.4	-63.6	-67.2	0	0	0	112.9	P786 F858 V867 L872 H875 C878 F885 V888 C890 S891	P786-F893 HydrophobicContact CG-CB 4.48Å; P786-F893 HydrophobicContact CG-CD1 3.99Å; F858-F893 HydrophobicContact CD1-CD1 4.4Å; F858-F893 AromaticContact CE1-CD1 3.84Å; F858-F893 HydrophobicContact CE1-CD1 3.84Å; F858-F893 HydrophobicContact CE1-CE1 4.39Å; F858-F893 HydrophobicContact CZ-CD1 4.26Å; V867-F893 HydrophobicContact CG1-CE1 4.43Å; V867-F893 HydrophobicContact CG1-CZ 4.16Å; V867-F893 HydrophobicContact CG2-CE1 4.46Å; L872-F893 HydrophobicContact CD1-CD1 4.42Å; L872-F893 HydrophobicContact CD1-CE1 4.19Å; H875-F893 HydrophobicContact CB-CB 4.31Å; H875-F893 HydrophobicContact CB-CD1 3.65Å; H875-F893 HydrophobicContact CB-CD2 4.05Å; H875-F893 HydrophobicContact CB-CE1 3.87Å; H875-F893 HydrophobicContact CB-CE2 4.26Å; H875-F893 HydrophobicContact CB-CG 3.75Å; H875-F893 HydrophobicContact CB-CZ 4.17Å; C878-F893 HydrophobicContact CB-CD2 4.48Å; C878-F893 HydrophobicContact CB-CE2 4.24Å; F885-F893 HydrophobicContact CD1-CE2 4.03Å; F885-F893 HydrophobicContact CD1-CZ 4.22Å; F885-F893 AromaticContact CE1-CE2 3.92Å; F885-F893 HydrophobicContact CE1-CE2 3.92Å; F885-F893 AromaticContact CE1-CZ 3.9Å; F885-F893 HydrophobicContact CE1-CZ 3.9Å; V888-F893 HydrophobicContact CG1-CE2 4.16Å; V888-F893 HydrophobicContact CG1-CZ 4.28Å; C890-F893 PolarHBondContact O-N 2.87Å; S891-F893 VanDerWaalsContact C-N 3.27Å; S891-F893 PolarHBondContact O-N 3.09Å
894	A	80.5	Confident	87	Confident	84 Å²	84	39.9 Å²	39.9	69%	0.694	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-96.6	13.2	171.6	0	0	0	0	0	112.4	S891 V892	S891-A894 PolarHBondContact O-N 2.93Å; V892-A894 PolarHBondContact O-N 3.24Å
895	S	88	Confident	87.9	Confident	26 Å²	26	38.5 Å²	38.5	18%	0.182	24%	0.242	C	C	.	.			trans	-67	138.9	179.2	-172.6	0	0	0	0	111.1	V892 K897 P898	V892-S895 WeakPolarHBondContact O-CB 3.47Å; V892-S895 PolarHBondContact O-N 3.48Å; V892-S895 VanDerWaalsContact O-N 3.15Å; S895-K897 VanDerWaalsContact C-N 3.26Å; S895-K897 PolarHBondContact O-N 3.15Å; S895-K897 PolarHBondContact OG-N 3.38Å; S895-P898 VanDerWaalsContact O-CD 3.23Å; S895-P898 WeakPolarHBondContact O-CD 3.34Å; S895-P898 VanDerWaalsContact O-CG 3.32Å; S895-P898 WeakPolarHBondContact O-CG 3.32Å
896	P	89.5	Confident	88.5	Confident	44 Å²	44	38.2 Å²	38.2	29%	0.286	24%	0.241	S	C	.	.	H	α-helix	trans	-72.3	-17.4	175.4	28.2	-35.5	0	0	0	113.6	M899 T900 Q960 A962	P896-M899 PolarHBondContact O-N 3.05Å; P896-T900 PolarHBondContact O-N 3.04Å; P896-T900 PolarHBondContact O-OG1 3Å; P896-T900 VanDerWaalsContact O-OG1 3.12Å; P896-Q960 WeakPolarHBondContact CB-O 3.48Å; P896-A962 HydrophobicContact CB-CB 4.22Å; P896-A962 HydrophobicContact CG-CB 3.83Å
897	K	91.1	Very high	89.4	Confident	44 Å²	44	29.9 Å²	29.9	19%	0.191	21%	0.205	C	C	.	.	H	α-helix	trans	-60.3	-49.7	-177.2	-77.7	-70.5	-161.7	158.8	0	115.5	W857 S895 M899 T900 M901 A962 A963 L964 E968	W857-K897 HydrophobicContact CD2-CB 4.24Å; W857-K897 HydrophobicContact CH2-CB 4.21Å; W857-K897 HydrophobicContact CZ2-CB 3.55Å; W857-K897 HydrophobicContact CZ2-CG 4.06Å; S895-K897 VanDerWaalsContact C-N 3.26Å; S895-K897 PolarHBondContact O-N 3.15Å; S895-K897 PolarHBondContact OG-N 3.38Å; K897-M899 VanDerWaalsContact C-N 3.31Å; K897-M899 PolarHBondContact O-N 3.49Å; K897-T900 WeakPolarHBondContact O-CB 3.35Å; K897-T900 PolarHBondContact O-N 3.33Å; K897-T900 VanDerWaalsContact O-N 3.16Å; K897-M901 PolarHBondContact O-N 3.33Å; K897-A962 HydrophobicContact CD-CB 4.03Å; K897-A962 HydrophobicContact CG-CB 4.29Å; K897-A963 WeakPolarHBondContact CE-O 3.35Å; K897-A963 PolarHBondContact NZ-O 2.83Å; K897-L964 HydrophobicContact CD-CD2 4.38Å; K897-E968 IonicContact NZ-OE1 2.75Å; K897-E968 PolarHBondContact NZ-OE1 3.35Å; K897-E968 IonicContact NZ-OE2 3.57Å; K897-E968 PolarHBondContact NZ-OE2 3.07Å
898	P	92.1	Very high	90.2	Very high	6 Å²	6	26.5 Å²	26.5	4%	0.039	17%	0.165	C	C	.	.	H	α-helix	trans	-61	-38.8	176.6	21.7	-34.3	0	0	0	112.3	A854 W857 F858 S895 M901 A902	A854-P898 HydrophobicContact CB-CB 4.22Å; W857-P898 HydrophobicContact CE3-CB 4.08Å; W857-P898 HydrophobicContact CE3-CG 4.04Å; W857-P898 HydrophobicContact CZ3-CG 4.23Å; F858-P898 HydrophobicContact CD2-CB 4.07Å; F858-P898 HydrophobicContact CE1-CG 4.41Å; F858-P898 HydrophobicContact CE2-CB 3.51Å; F858-P898 HydrophobicContact CE2-CG 3.65Å; F858-P898 HydrophobicContact CZ-CB 3.99Å; F858-P898 HydrophobicContact CZ-CG 3.57Å; S895-P898 VanDerWaalsContact O-CD 3.23Å; S895-P898 WeakPolarHBondContact O-CD 3.34Å; S895-P898 VanDerWaalsContact O-CG 3.32Å; S895-P898 WeakPolarHBondContact O-CG 3.32Å; P898-M901 WeakPolarHBondContact O-CB 3.46Å; P898-M901 PolarHBondContact O-N 3.18Å; P898-A902 PolarHBondContact O-N 3.05Å
899	M	92.6	Very high	91	Very high	19 Å²	19	25.2 Å²	25.2	9%	0.094	16%	0.158	C	C	.	.	H	α-helix	trans	-62.8	-42.1	172.9	-68.8	-173.2	-77.7	0	0	111.3	E787 A788 I790 P896 K897 M901 A902 L903 Q960	E787-M899 WeakPolarHBondContact O-CG 3.41Å; A788-M899 WeakPolarHBondContact O-CA 3.01Å; I790-M899 HydrophobicContact CG2-SD 3.94Å; P896-M899 PolarHBondContact O-N 3.05Å; K897-M899 VanDerWaalsContact C-N 3.31Å; K897-M899 PolarHBondContact O-N 3.49Å; M899-M901 VanDerWaalsContact C-N 3.32Å; M899-M901 PolarHBondContact O-N 3.48Å; M899-A902 PolarHBondContact O-N 2.98Å; M899-L903 VanDerWaalsContact O-CB 3.31Å; M899-L903 WeakPolarHBondContact O-CB 3.47Å; M899-L903 PolarHBondContact O-N 3.23Å; M899-Q960 HydrophobicContact CE-CB 4.08Å
900	T	95.1	Very high	91.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60	-41	173.4	-55.6	0	0	0	0	112.6	P896 K897 L903 S904 L950 A962 L964	P896-T900 PolarHBondContact O-N 3.04Å; P896-T900 PolarHBondContact O-OG1 3Å; P896-T900 VanDerWaalsContact O-OG1 3.12Å; K897-T900 WeakPolarHBondContact O-CB 3.35Å; K897-T900 PolarHBondContact O-N 3.33Å; K897-T900 VanDerWaalsContact O-N 3.16Å; T900-L903 PolarHBondContact O-N 3.22Å; T900-S904 VanDerWaalsContact O-CB 3.25Å; T900-S904 WeakPolarHBondContact O-CB 3.44Å; T900-S904 PolarHBondContact O-N 2.94Å; T900-S904 PolarHBondContact O-OG 3.45Å; T900-L950 HydrophobicContact CG2-CD2 3.36Å; T900-A962 VanDerWaalsContact CG2-O 3.28Å; T900-A962 WeakPolarHBondContact CG2-O 3.4Å; T900-A962 PolarHBondContact OG1-N 3.23Å; T900-A962 PolarHBondContact OG1-O 3.42Å; T900-L964 HydrophobicContact CG2-CD1 3.93Å; T900-L964 HydrophobicContact CG2-CD2 3.59Å; T900-L964 HydrophobicContact CG2-CG 3.53Å
901	M	95.2	Very high	92.1	Very high	0 Å²	0	18 Å²	18	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.8	-47.8	178.8	-74.8	-63.9	-60.9	0	0	110.9	A853 W856 W857 K897 P898 M899 S904 V905 L964 E968 A971 V972	A853-M901 HydrophobicContact CB-CB 4.44Å; W856-M901 HydrophobicContact CE3-CE 3.83Å; W856-M901 HydrophobicContact CZ3-CE 3.6Å; W856-M901 HydrophobicContact CZ3-SD 4.46Å; W857-M901 HydrophobicContact CB-CG 4.34Å; W857-M901 HydrophobicContact CG-CG 4.49Å; K897-M901 PolarHBondContact O-N 3.33Å; P898-M901 WeakPolarHBondContact O-CB 3.46Å; P898-M901 PolarHBondContact O-N 3.18Å; M899-M901 VanDerWaalsContact C-N 3.32Å; M899-M901 PolarHBondContact O-N 3.48Å; M901-S904 PolarHBondContact O-N 2.86Å; M901-V905 WeakPolarHBondContact O-CB 3.46Å; M901-V905 WeakPolarHBondContact O-CG2 2.91Å; M901-V905 PolarHBondContact O-N 2.86Å; M901-L964 HydrophobicContact CG-CD2 4.19Å; M901-L964 HydrophobicContact SD-CD1 3.91Å; M901-L964 HydrophobicContact SD-CD2 3.74Å; M901-L964 HydrophobicContact SD-CG 4.47Å; M901-E968 HydrophobicContact SD-CB 3.75Å; M901-E968 HydrophobicContact SD-CG 4.14Å; M901-A971 HydrophobicContact CE-CB 4.17Å; M901-V972 HydrophobicContact CE-CG2 3.7Å; M901-V972 HydrophobicContact SD-CG2 3.97Å
902	A	95.1	Very high	92.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60.3	-48.1	175.6	0	0	0	0	0	111.6	A788 L789 A854 P898 M899 S904 V905 L906	A788-A902 HydrophobicContact CB-CB 4.14Å; A788-A902 WeakPolarHBondContact O-CB 3.49Å; L789-A902 HydrophobicContact CD2-CB 4.08Å; L789-A902 HydrophobicContact CG-CB 4.28Å; A854-A902 HydrophobicContact CB-CB 4.34Å; P898-A902 PolarHBondContact O-N 3.05Å; M899-A902 PolarHBondContact O-N 2.98Å; A902-S904 PolarHBondContact O-N 3.4Å; A902-V905 PolarHBondContact O-N 3.47Å; A902-L906 PolarHBondContact O-N 3.02Å
903	L	95.6	Very high	93	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.01	9%	0.089	C	C	.	.	H	α-helix	trans	-62	-43.9	179.2	-177.6	63.6	0	0	0	111.8	L789 Q793 V797 M899 T900 V905 L906 V907 I949 I961	L789-L903 HydrophobicContact CD2-CB 3.85Å; L789-L903 HydrophobicContact CD2-CD1 4.16Å; Q793-L903 HydrophobicContact CB-CD1 4.16Å; Q793-L903 HydrophobicContact CB-CD2 4.49Å; Q793-L903 HydrophobicContact CG-CD2 4.25Å; V797-L903 HydrophobicContact CG2-CD1 3.57Å; M899-L903 VanDerWaalsContact O-CB 3.31Å; M899-L903 WeakPolarHBondContact O-CB 3.47Å; M899-L903 PolarHBondContact O-N 3.23Å; T900-L903 PolarHBondContact O-N 3.22Å; L903-V905 VanDerWaalsContact C-N 3.33Å; L903-V905 PolarHBondContact O-N 3.35Å; L903-L906 WeakPolarHBondContact O-CB 3.34Å; L903-L906 PolarHBondContact O-N 3.39Å; L903-V907 HydrophobicContact CD1-CG2 4.33Å; L903-V907 HydrophobicContact CG-CG2 4.48Å; L903-V907 VanDerWaalsContact O-CG2 3.3Å; L903-V907 WeakPolarHBondContact O-CG2 3.31Å; L903-V907 PolarHBondContact O-N 3.45Å; L903-I949 HydrophobicContact CD2-CD1 4.21Å; L903-I961 HydrophobicContact CD2-CD1 4.47Å; L903-I961 HydrophobicContact CD2-CG2 3.96Å
904	S	96.3	Very high	93.3	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.007	9%	0.085	C	C	.	.	H	α-helix	trans	-69.5	-32.5	-178.9	-57.9	0	0	0	0	112.3	T900 M901 A902 L908 H946 V972	T900-S904 VanDerWaalsContact O-CB 3.25Å; T900-S904 WeakPolarHBondContact O-CB 3.44Å; T900-S904 PolarHBondContact O-N 2.94Å; T900-S904 PolarHBondContact O-OG 3.45Å; M901-S904 PolarHBondContact O-N 2.86Å; A902-S904 PolarHBondContact O-N 3.4Å; S904-L908 WeakPolarHBondContact O-CB 3.39Å; S904-L908 PolarHBondContact O-N 3.36Å; S904-L908 VanDerWaalsContact O-N 3.08Å; S904-H946 PolarHBondContact OG-NE2 2.92Å; S904-H946 VanDerWaalsContact OG-NE2 3.09Å; S904-V972 WeakPolarHBondContact O-CG1 3.47Å
905	V	96.3	Very high	93.9	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-67	-45.2	170.4	167.1	0	0	0	0	111	A849 T850 A853 M901 A902 L903 L908 I909 V972 I975	A849-V905 HydrophobicContact CB-CG1 4Å; T850-V905 HydrophobicContact CG2-CG1 4.36Å; A853-V905 HydrophobicContact CB-CB 4.28Å; A853-V905 HydrophobicContact CB-CG2 3.67Å; M901-V905 WeakPolarHBondContact O-CB 3.46Å; M901-V905 WeakPolarHBondContact O-CG2 2.91Å; M901-V905 PolarHBondContact O-N 2.86Å; A902-V905 PolarHBondContact O-N 3.47Å; L903-V905 VanDerWaalsContact C-N 3.33Å; L903-V905 PolarHBondContact O-N 3.35Å; V905-L908 PolarHBondContact O-N 3.21Å; V905-I909 HydrophobicContact CG1-CD1 3.55Å; V905-I909 HydrophobicContact CG1-CG1 4.23Å; V905-I909 VanDerWaalsContact O-CB 3.3Å; V905-I909 WeakPolarHBondContact O-CB 3.34Å; V905-I909 VanDerWaalsContact O-CG1 3.25Å; V905-I909 WeakPolarHBondContact O-CG1 3.3Å; V905-I909 PolarHBondContact O-N 3.1Å; V905-V972 HydrophobicContact CG2-CB 4.2Å; V905-V972 HydrophobicContact CG2-CG1 3.99Å; V905-V972 HydrophobicContact CG2-CG2 4.08Å; V905-I975 HydrophobicContact CG1-CG2 3.84Å; V905-I975 HydrophobicContact CG2-CB 4.35Å; V905-I975 HydrophobicContact CG2-CG2 4.19Å
906	L	95.4	Very high	94	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-56.4	-54.9	176	179.9	61	0	0	0	110.8	E773 L789 L794 V797 V846 T850 A902 L903 L908 I909 E910	E773-L906 HydrophobicContact CG-CD1 4.4Å; E773-L906 HydrophobicContact CG-CD2 4.13Å; L789-L906 HydrophobicContact CD1-CD2 3.77Å; L794-L906 HydrophobicContact CD2-CD2 4.25Å; V797-L906 HydrophobicContact CG1-CD2 4.13Å; V797-L906 HydrophobicContact CG1-CG 4.41Å; V797-L906 HydrophobicContact CG2-CD2 4.29Å; V846-L906 HydrophobicContact CG1-CD1 3.53Å; T850-L906 HydrophobicContact CG2-CB 3.83Å; T850-L906 HydrophobicContact CG2-CD1 4.42Å; A902-L906 PolarHBondContact O-N 3.02Å; L903-L906 WeakPolarHBondContact O-CB 3.34Å; L903-L906 PolarHBondContact O-N 3.39Å; L906-L908 PolarHBondContact O-N 3.32Å; L906-I909 PolarHBondContact O-N 3.25Å; L906-E910 HydrophobicContact CD1-CG 4.19Å; L906-E910 WeakPolarHBondContact O-CG 3.46Å; L906-E910 PolarHBondContact O-N 3.32Å
907	V	95.9	Very high	94	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.006	4%	0.038	C	C	.	.	H	α-helix	trans	-57.4	-46.5	-179.2	171.2	0	0	0	0	111.6	V797 T801 L903 E910 M911 M943 H946	V797-V907 HydrophobicContact CG2-CG2 4.22Å; T801-V907 HydrophobicContact CG2-CB 4.36Å; T801-V907 HydrophobicContact CG2-CG1 3.78Å; T801-V907 HydrophobicContact CG2-CG2 4.03Å; L903-V907 HydrophobicContact CD1-CG2 4.33Å; L903-V907 HydrophobicContact CG-CG2 4.48Å; L903-V907 VanDerWaalsContact O-CG2 3.3Å; L903-V907 WeakPolarHBondContact O-CG2 3.31Å; L903-V907 PolarHBondContact O-N 3.45Å; V907-E910 PolarHBondContact O-N 3.05Å; V907-M911 WeakPolarHBondContact O-CG 3.28Å; V907-M911 PolarHBondContact O-N 3.25Å; V907-M943 HydrophobicContact CG1-SD 3.98Å; V907-H946 HydrophobicContact CG1-CB 4.17Å
908	L	95.9	Very high	93.8	Very high	18 Å²	18	6.1 Å²	6.1	9%	0.094	3%	0.031	C	C	.	.	H	α-helix	trans	-69.9	-38.6	-177.9	-174.5	61.7	0	0	0	112.4	S904 V905 L906 E910 M911 F912 V972 L973	S904-L908 WeakPolarHBondContact O-CB 3.39Å; S904-L908 PolarHBondContact O-N 3.36Å; S904-L908 VanDerWaalsContact O-N 3.08Å; V905-L908 PolarHBondContact O-N 3.21Å; L906-L908 PolarHBondContact O-N 3.32Å; L908-E910 VanDerWaalsContact C-N 3.33Å; L908-M911 PolarHBondContact O-N 2.89Å; L908-F912 HydrophobicContact CD1-CE1 4.37Å; L908-F912 HydrophobicContact CD1-CE2 4.13Å; L908-F912 HydrophobicContact CD1-CZ 3.95Å; L908-F912 HydrophobicContact CD2-CE2 4.26Å; L908-F912 HydrophobicContact CG-CD2 4.36Å; L908-F912 HydrophobicContact CG-CE2 3.87Å; L908-F912 HydrophobicContact CG-CZ 4.2Å; L908-F912 WeakPolarHBondContact O-CD2 3.47Å; L908-F912 PolarHBondContact O-N 3.25Å; L908-F912 VanDerWaalsContact O-N 3.16Å; L908-V972 HydrophobicContact CB-CG1 4.3Å; L908-V972 HydrophobicContact CD2-CG1 3.91Å; L908-L973 HydrophobicContact CD2-CB 4.49Å; L908-L973 HydrophobicContact CD2-CD1 4.29Å
909	I	95.7	Very high	93.4	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-60.2	-45.1	172.9	-75	176.5	0	0	0	110.1	Y845 V846 A849 V905 L906 M911 F912 N913 V979	Y845-I909 HydrophobicContact CD1-CD1 4.45Å; Y845-I909 HydrophobicContact CE1-CD1 3.98Å; V846-I909 HydrophobicContact CB-CG2 4.43Å; V846-I909 HydrophobicContact CG1-CG2 4.35Å; V846-I909 HydrophobicContact CG2-CG2 3.52Å; A849-I909 HydrophobicContact CB-CD1 3.71Å; V905-I909 HydrophobicContact CG1-CD1 3.55Å; V905-I909 HydrophobicContact CG1-CG1 4.23Å; V905-I909 VanDerWaalsContact O-CB 3.3Å; V905-I909 WeakPolarHBondContact O-CB 3.34Å; V905-I909 VanDerWaalsContact O-CG1 3.25Å; V905-I909 WeakPolarHBondContact O-CG1 3.3Å; V905-I909 PolarHBondContact O-N 3.1Å; L906-I909 PolarHBondContact O-N 3.25Å; I909-M911 PolarHBondContact O-N 3.4Å; I909-F912 CarbonylContact O-C 3.3Å; I909-F912 WeakPolarHBondContact O-CB 3.22Å; I909-F912 PolarHBondContact O-N 2.97Å; I909-F912 VanDerWaalsContact O-N 3.14Å; I909-N913 WeakPolarHBondContact O-CB 3.49Å; I909-N913 PolarHBondContact O-N 3.32Å; I909-V979 HydrophobicContact CG2-CB 4.21Å; I909-V979 HydrophobicContact CG2-CG1 4.17Å; I909-V979 HydrophobicContact CG2-CG2 4.03Å
910	E	94.8	Very high	92.8	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-67.9	-34.4	-179.2	-68.5	-48.9	136.8	0	0	112.8	Y765 S769 D802 L906 V907 L908 F912 N913 A914	Y765-E910 HydrophobicContact CE2-CB 4.27Å; Y765-E910 WeakPolarHBondContact CE2-O 3.35Å; Y765-E910 VanDerWaalsContact CE2-OE2 3.29Å; Y765-E910 WeakPolarHBondContact CE2-OE2 3.4Å; S769-E910 WeakPolarHBondContact CA-OE1 3.28Å; S769-E910 VanDerWaalsContact CB-CD 3.41Å; S769-E910 WeakPolarHBondContact CB-OE2 3.32Å; S769-E910 WeakPolarHBondContact OG-CG 3.46Å; D802-E910 WeakPolarHBondContact OD1-CB 3.39Å; L906-E910 HydrophobicContact CD1-CG 4.19Å; L906-E910 WeakPolarHBondContact O-CG 3.46Å; L906-E910 PolarHBondContact O-N 3.32Å; V907-E910 PolarHBondContact O-N 3.05Å; L908-E910 VanDerWaalsContact C-N 3.33Å; E910-F912 VanDerWaalsContact C-N 3.3Å; E910-F912 PolarHBondContact O-N 2.97Å; E910-N913 PolarHBondContact O-N 3.24Å; E910-N913 PolarHBondContact OE2-ND2 3.46Å; E910-N913 VanDerWaalsContact OE2-ND2 3.07Å; E910-A914 WeakPolarHBondContact O-CB 3.46Å; E910-A914 PolarHBondContact O-N 3.45Å
911	M	95.1	Very high	92.1	Very high	4 Å²	4	10 Å²	10	2%	0.02	5%	0.051	C	C	.	.	H	α-helix	trans	-62.6	-38.8	171.6	-66	-50.3	92.4	0	0	112	T801 P805 V907 L908 I909 L915 I939 M943	T801-M911 HydrophobicContact CG2-CE 3.82Å; P805-M911 HydrophobicContact CG-CE 3.69Å; P805-M911 HydrophobicContact CG-SD 3.96Å; V907-M911 WeakPolarHBondContact O-CG 3.28Å; V907-M911 PolarHBondContact O-N 3.25Å; L908-M911 PolarHBondContact O-N 2.89Å; I909-M911 PolarHBondContact O-N 3.4Å; M911-L915 PolarHBondContact O-N 2.94Å; M911-I939 HydrophobicContact CB-CG2 3.95Å; M911-I939 HydrophobicContact CG-CG2 3.99Å; M911-I939 HydrophobicContact SD-CB 4.1Å; M911-I939 HydrophobicContact SD-CG1 3.92Å; M911-I939 HydrophobicContact SD-CG2 3.93Å; M911-M943 HydrophobicContact CG-CG 4.17Å; M911-M943 HydrophobicContact CG-SD 3.93Å
912	F	94.3	Very high	91.4	Very high	37 Å²	37	12.8 Å²	12.8	16%	0.162	6%	0.064	C	C	.	.	H	α-helix	trans	-70.9	-37	173.7	-71.3	-24.8	0	0	0	112.6	L908 I909 E910 A914 L915 N916 I977 V979 L980	L908-F912 HydrophobicContact CD1-CE1 4.37Å; L908-F912 HydrophobicContact CD1-CE2 4.13Å; L908-F912 HydrophobicContact CD1-CZ 3.95Å; L908-F912 HydrophobicContact CD2-CE2 4.26Å; L908-F912 HydrophobicContact CG-CD2 4.36Å; L908-F912 HydrophobicContact CG-CE2 3.87Å; L908-F912 HydrophobicContact CG-CZ 4.2Å; L908-F912 WeakPolarHBondContact O-CD2 3.47Å; L908-F912 PolarHBondContact O-N 3.25Å; L908-F912 VanDerWaalsContact O-N 3.16Å; I909-F912 CarbonylContact O-C 3.3Å; I909-F912 WeakPolarHBondContact O-CB 3.22Å; I909-F912 PolarHBondContact O-N 2.97Å; I909-F912 VanDerWaalsContact O-N 3.14Å; E910-F912 VanDerWaalsContact C-N 3.3Å; E910-F912 PolarHBondContact O-N 2.97Å; F912-A914 VanDerWaalsContact C-N 3.3Å; F912-A914 PolarHBondContact O-N 2.95Å; F912-L915 HydrophobicContact CD1-CD1 4.36Å; F912-L915 WeakPolarHBondContact O-CB 3.36Å; F912-L915 PolarHBondContact O-N 3.47Å; F912-N916 PolarHBondContact O-N 2.84Å; F912-I977 HydrophobicContact CE2-CG1 3.92Å; F912-I977 HydrophobicContact CZ-CG1 4.27Å; F912-V979 HydrophobicContact CB-CG1 3.55Å; F912-V979 HydrophobicContact CD2-CG1 4.19Å; F912-V979 HydrophobicContact CG-CG1 4.38Å; F912-L980 HydrophobicContact CB-CD1 4.32Å; F912-L980 HydrophobicContact CB-CD2 3.68Å; F912-L980 HydrophobicContact CB-CG 3.78Å; F912-L980 HydrophobicContact CD1-CD1 3.86Å; F912-L980 HydrophobicContact CD1-CD2 4.37Å; F912-L980 HydrophobicContact CD1-CG 4.28Å; F912-L980 HydrophobicContact CD2-CD1 4.27Å; F912-L980 HydrophobicContact CD2-CG 4.32Å; F912-L980 HydrophobicContact CE1-CD1 4.21Å; F912-L980 HydrophobicContact CG-CD1 3.89Å; F912-L980 HydrophobicContact CG-CD2 4.15Å; F912-L980 HydrophobicContact CG-CG 3.88Å; F912-L980 WeakPolarHBondContact O-CD2 3.36Å
913	N	92.3	Very high	91	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-66.3	-34.2	175.6	-163.9	25.9	0	0	0	111.7	Y765 S768 I909 E910 L915 N916 S917	Y765-N913 HydrophobicContact CD2-CB 4.38Å; Y765-N913 HydrophobicContact CE2-CB 4.32Å; S768-N913 PolarHBondContact OG-ND2 2.69Å; I909-N913 WeakPolarHBondContact O-CB 3.49Å; I909-N913 PolarHBondContact O-N 3.32Å; E910-N913 PolarHBondContact O-N 3.24Å; E910-N913 PolarHBondContact OE2-ND2 3.46Å; E910-N913 VanDerWaalsContact OE2-ND2 3.07Å; N913-L915 VanDerWaalsContact C-N 3.34Å; N913-L915 PolarHBondContact O-N 2.94Å; N913-N916 WeakPolarHBondContact O-CB 3.22Å; N913-N916 PolarHBondContact O-N 2.85Å; N913-S917 WeakPolarHBondContact O-CB 3.42Å; N913-S917 PolarHBondContact O-N 3.38Å; N913-S917 PolarHBondContact O-OG 3.04Å
914	A	93	Very high	90.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-63.4	-39.1	172.1	0	0	0	0	0	111.6	Y765 P805 E910 F912 S917 L935 I939	Y765-A914 HydrophobicContact CD2-CB 4.39Å; Y765-A914 HydrophobicContact CE2-CB 3.93Å; P805-A914 HydrophobicContact CB-CB 3.77Å; E910-A914 WeakPolarHBondContact O-CB 3.46Å; E910-A914 PolarHBondContact O-N 3.45Å; F912-A914 VanDerWaalsContact C-N 3.3Å; F912-A914 PolarHBondContact O-N 2.95Å; A914-S917 CarbonylContact O-C 3.58Å; A914-S917 WeakPolarHBondContact O-CA 3.25Å; A914-S917 WeakPolarHBondContact O-CB 3.35Å; A914-S917 PolarHBondContact O-N 3.22Å; A914-S917 VanDerWaalsContact O-N 3.17Å; A914-L935 HydrophobicContact CB-CD1 4.23Å; A914-I939 HydrophobicContact CB-CD1 4.45Å
915	L	92.8	Very high	90	Very high	28 Å²	28	18.7 Å²	18.7	15%	0.147	10%	0.099	C	C	.	.	H	α-helix	trans	-64.2	-46.6	171.9	-65.1	178.4	0	0	0	111.6	M911 F912 N913 S917 L918 L924 P929 L935 I939	M911-L915 PolarHBondContact O-N 2.94Å; F912-L915 HydrophobicContact CD1-CD1 4.36Å; F912-L915 WeakPolarHBondContact O-CB 3.36Å; F912-L915 PolarHBondContact O-N 3.47Å; N913-L915 VanDerWaalsContact C-N 3.34Å; N913-L915 PolarHBondContact O-N 2.94Å; L915-S917 PolarHBondContact O-N 3.25Å; L915-S917 VanDerWaalsContact O-N 3.16Å; L915-L918 WeakPolarHBondContact O-CB 3.25Å; L915-L918 PolarHBondContact O-N 2.83Å; L915-L924 HydrophobicContact CB-CD2 4.4Å; L915-L924 WeakPolarHBondContact O-CD2 3.33Å; L915-P929 HydrophobicContact CD2-CB 3.93Å; L915-P929 HydrophobicContact CD2-CG 4.24Å; L915-L935 HydrophobicContact CD2-CD2 4.16Å; L915-I939 HydrophobicContact CD2-CD1 3.55Å; L915-I939 HydrophobicContact CG-CD1 3.83Å
916	N	90.2	Very high	89.3	Confident	2 Å²	2	23.3 Å²	23.3	1%	0.011	13%	0.127	C	C	.	.	H	α-helix	trans	-56.8	-31.4	173.6	-77.2	-23.5	0	0	0	111.8	F912 N913 L918 L924 V979 D983 K987	F912-N916 PolarHBondContact O-N 2.84Å; N913-N916 WeakPolarHBondContact O-CB 3.22Å; N913-N916 PolarHBondContact O-N 2.85Å; N916-L918 PolarHBondContact O-N 2.8Å; N916-L924 WeakPolarHBondContact OD1-CD1 3.22Å; N916-V979 PolarHBondContact ND2-O 2.65Å; N916-D983 HydrophobicContact CB-CB 4.17Å; N916-D983 WeakPolarHBondContact CB-OD2 3.26Å; N916-D983 VanDerWaalsContact ND2-CB 3.26Å; N916-D983 WeakPolarHBondContact ND2-CB 3.5Å; N916-K987 PolarHBondContact O-NZ 2.89Å
917	S	89.5	Confident	88.7	Confident	2 Å²	2	25 Å²	25	1%	0.014	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	7.3	177.1	-63.4	0	0	0	0	114.5	Q761 L809 N913 A914 L915 S919	Q761-S917 WeakPolarHBondContact CG-O 3.28Å; Q761-S917 PolarHBondContact NE2-O 3.49Å; Q761-S917 VanDerWaalsContact NE2-O 3.17Å; L809-S917 WeakPolarHBondContact CD2-O 3.19Å; N913-S917 WeakPolarHBondContact O-CB 3.42Å; N913-S917 PolarHBondContact O-N 3.38Å; N913-S917 PolarHBondContact O-OG 3.04Å; A914-S917 CarbonylContact O-C 3.58Å; A914-S917 WeakPolarHBondContact O-CA 3.25Å; A914-S917 WeakPolarHBondContact O-CB 3.35Å; A914-S917 PolarHBondContact O-N 3.22Å; A914-S917 VanDerWaalsContact O-N 3.17Å; L915-S917 PolarHBondContact O-N 3.25Å; L915-S917 VanDerWaalsContact O-N 3.16Å; S917-S919 PolarHBondContact O-N 2.88Å
918	L	87.5	Confident	88.3	Confident	8 Å²	8	25.7 Å²	25.7	4%	0.042	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-30	170.3	-122.1	129.3	0	0	0	112.8	N812 L915 N916 M927 H931 N932 L935	N812-L918 PolarHBondContact ND2-O 3.12Å; L915-L918 WeakPolarHBondContact O-CB 3.25Å; L915-L918 PolarHBondContact O-N 2.83Å; N916-L918 PolarHBondContact O-N 2.8Å; L918-M927 HydrophobicContact CD2-CG 3.84Å; L918-M927 HydrophobicContact CD2-SD 3.87Å; L918-H931 HydrophobicContact CD2-CB 4.12Å; L918-N932 HydrophobicContact CD2-CB 4.34Å; L918-L935 HydrophobicContact CD1-CD2 3.47Å; L918-L935 VanDerWaalsContact CD1-CD2 3.47Å; L918-L935 HydrophobicContact CG-CD2 4.12Å
919	S	83.4	Confident	87.8	Confident	16 Å²	16	26.3 Å²	26.3	11%	0.112	15%	0.145	C	C	.	.			trans	-148.3	141.9	178.7	-177.1	0	0	0	0	110.8	S917 Q922 K987	S917-S919 PolarHBondContact O-N 2.88Å; S919-Q922 VanDerWaalsContact OG-CB 3.25Å; S919-Q922 WeakPolarHBondContact OG-CB 3.12Å; S919-Q922 WeakPolarHBondContact OG-CG 3.46Å; S919-Q922 PolarHBondContact OG-N 3.37Å; S919-K987 WeakPolarHBondContact O-CE 3.41Å; S919-K987 PolarHBondContact O-NZ 3.09Å
920	E	80.4	Confident	87.5	Confident	55 Å²	55	34.6 Å²	34.6	26%	0.257	18%	0.176	S	C	.	.	S	Bend	trans	-59.5	-49.8	174.6	-175.4	171.3	175.9	0	0	111.2	R764 L835 R838	R764-E920 IonicContact CZ-OE1 2.72Å; R764-E920 IonicContact CZ-OE2 2.9Å; R764-E920 IonicContact NH1-OE1 3.98Å; R764-E920 IonicContact NH1-OE2 3.46Å; R764-E920 PolarHBondContact NH1-OE2 2.99Å; R764-E920 VanDerWaalsContact NH2-CD 3.29Å; R764-E920 IonicContact NH2-OE1 3.57Å; R764-E920 PolarHBondContact NH2-OE1 3.06Å; R764-E920 VanDerWaalsContact NH2-OE1 3.09Å; R764-E920 IonicContact NH2-OE2 2.65Å; R764-E920 PolarHBondContact NH2-OE2 2.96Å; L835-E920 HydrophobicContact CD1-CG 4.26Å; R838-E920 PolarHBondContact NH1-O 3.38Å; R838-E920 PolarHBondContact NH2-O 3.34Å
921	N	79	Confident	87	Confident	35 Å²	35	39.4 Å²	39.4	19%	0.187	20%	0.198	C	C	.	.	S	Bend	trans	-125.7	-13.2	-170.3	-66.1	-44.1	0	0	0	114.6	R991	N921-R991 VanDerWaalsContact O-CD 3.3Å; N921-R991 WeakPolarHBondContact O-CD 3.32Å; N921-R991 PolarHBondContact O-NH1 3.3Å
922	Q	81.6	Confident	86.8	Confident	58 Å²	58	39.3 Å²	39.3	27%	0.271	20%	0.198	S	C	.	.	S	Bend	trans	-78.8	144.7	177.4	-59.2	-63.2	-19.1	0	0	111.3	S919 M927 K987	S919-Q922 VanDerWaalsContact OG-CB 3.25Å; S919-Q922 WeakPolarHBondContact OG-CB 3.12Å; S919-Q922 WeakPolarHBondContact OG-CG 3.46Å; S919-Q922 PolarHBondContact OG-N 3.37Å; Q922-M927 HydrophobicContact CB-CB 4.28Å; Q922-K987 WeakPolarHBondContact O-CD 3.18Å; Q922-K987 PolarHBondContact O-NZ 3.22Å
923	S	85.1	Confident	86.7	Confident	3 Å²	3	44.5 Å²	44.5	2%	0.021	22%	0.224	C	C	.	.			trans	-70.1	148	177.8	-177.8	0	0	0	0	109.7	V925 V926 M927 E984 R991	S923-V925 PolarHBondContact O-N 2.85Å; S923-V925 VanDerWaalsContact O-N 3.13Å; S923-V925 PolarHBondContact OG-N 3.34Å; S923-V926 PolarHBondContact O-N 2.92Å; S923-M927 PolarHBondContact O-N 3.49Å; S923-E984 WeakPolarHBondContact CA-OE1 3.39Å; S923-E984 WeakPolarHBondContact CA-OE2 3.37Å; S923-E984 WeakPolarHBondContact CB-OE1 3.08Å; S923-E984 PolarHBondContact OG-OE1 2.83Å; S923-E984 PolarHBondContact OG-OE2 3.49Å; S923-R991 VanDerWaalsContact CA-NH1 3.34Å
924	L	86.1	Confident	86.7	Confident	33 Å²	33	52.6 Å²	52.6	17%	0.173	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.6	167.9	-77.2	171.8	0	0	0	112.9	L915 N916 M927 P928 P929 L980 E984	L915-L924 HydrophobicContact CB-CD2 4.4Å; L915-L924 WeakPolarHBondContact O-CD2 3.33Å; N916-L924 WeakPolarHBondContact OD1-CD1 3.22Å; L924-M927 CarbonylContact O-C 3.52Å; L924-P928 VanDerWaalsContact O-CA 3.28Å; L924-P928 WeakPolarHBondContact O-CA 3.31Å; L924-P929 HydrophobicContact CD2-CG 4.37Å; L924-L980 HydrophobicContact CD1-CD2 4.06Å; L924-E984 PolarHBondContact N-OE2 3.33Å; L924-E984 VanDerWaalsContact N-OE2 3.1Å
925	V	84.9	Confident	86.8	Confident	92 Å²	92	52.6 Å²	52.6	56%	0.558	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-34.6	173.8	-177.2	0	0	0	0	111.7	S923 I1005	S923-V925 PolarHBondContact O-N 2.85Å; S923-V925 VanDerWaalsContact O-N 3.13Å; S923-V925 PolarHBondContact OG-N 3.34Å; V925-I1005 HydrophobicContact CG2-CG2 4.03Å
926	V	82.9	Confident	86.9	Confident	97 Å²	97	54.2 Å²	54.2	59%	0.588	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-40.4	-178.4	177.3	0	0	0	0	111	S923 P928	S923-V926 PolarHBondContact O-N 2.92Å; V926-P928 VanDerWaalsContact O-CD 3.23Å; V926-P928 WeakPolarHBondContact O-CD 3.46Å
927	M	82.2	Confident	87.1	Confident	35 Å²	35	56.7 Å²	56.7	17%	0.172	28%	0.284	C	S	.	.	S	Bend	trans	-116.5	83.2	174.4	-169.3	176.4	-87.1	0	0	109.3	L918 Q922 S923 L924 H931	L918-M927 HydrophobicContact CD2-CG 3.84Å; L918-M927 HydrophobicContact CD2-SD 3.87Å; Q922-M927 HydrophobicContact CB-CB 4.28Å; S923-M927 PolarHBondContact O-N 3.49Å; L924-M927 CarbonylContact O-C 3.52Å; M927-H931 HydrophobicContact CG-CB 4.38Å
928	P	87.2	Confident	87.4	Confident	16 Å²	16	57.1 Å²	57.1	10%	0.104	29%	0.288	C	S	.	.			trans	-59.1	153.7	180	-25.9	29.8	0	0	0	114.4	L924 V926 W930 H931	L924-P928 VanDerWaalsContact O-CA 3.28Å; L924-P928 WeakPolarHBondContact O-CA 3.31Å; V926-P928 VanDerWaalsContact O-CD 3.23Å; V926-P928 WeakPolarHBondContact O-CD 3.46Å; P928-W930 HydrophobicContact CB-CD2 3.47Å; P928-W930 VanDerWaalsContact CB-CD2 3.47Å; P928-W930 HydrophobicContact CB-CE3 3.83Å; P928-W930 HydrophobicContact CB-CG 4.12Å; P928-W930 HydrophobicContact CB-CH2 3.62Å; P928-W930 HydrophobicContact CB-CZ2 3.23Å; P928-W930 HydrophobicContact CB-CZ3 3.9Å; P928-W930 HydrophobicContact CG-CD2 4.46Å; P928-W930 HydrophobicContact CG-CH2 4.11Å; P928-W930 HydrophobicContact CG-CZ2 3.46Å; P928-W930 VanDerWaalsContact CG-CZ2 3.46Å; P928-W930 PolarHBondContact O-N 3Å; P928-H931 WeakPolarHBondContact O-CB 3.5Å; P928-H931 PolarHBondContact O-N 3.35Å; P928-H931 PolarHBondContact O-ND1 2.87Å
929	P	86.4	Confident	87.8	Confident	31 Å²	31	57.9 Å²	57.9	20%	0.201	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-49.7	-34.1	177.2	-31	36.9	0	0	0	115.3	L915 L924 H931 N932 I936	L915-P929 HydrophobicContact CD2-CB 3.93Å; L915-P929 HydrophobicContact CD2-CG 4.24Å; L924-P929 HydrophobicContact CD2-CG 4.37Å; P929-H931 PolarHBondContact O-N 2.93Å; P929-N932 PolarHBondContact O-N 3.35Å; P929-I936 HydrophobicContact CB-CD1 4.29Å; P929-I936 HydrophobicContact CB-CG1 4.5Å
930	W	88.6	Confident	88.4	Confident	174 Å²	174	60.6 Å²	60.6	66%	0.659	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-74.1	-3.4	-177.6	53.1	82	0	0	0	114.7	P928 N932 I936	P928-W930 HydrophobicContact CB-CD2 3.47Å; P928-W930 VanDerWaalsContact CB-CD2 3.47Å; P928-W930 HydrophobicContact CB-CE3 3.83Å; P928-W930 HydrophobicContact CB-CG 4.12Å; P928-W930 HydrophobicContact CB-CH2 3.62Å; P928-W930 HydrophobicContact CB-CZ2 3.23Å; P928-W930 HydrophobicContact CB-CZ3 3.9Å; P928-W930 HydrophobicContact CG-CD2 4.46Å; P928-W930 HydrophobicContact CG-CH2 4.11Å; P928-W930 HydrophobicContact CG-CZ2 3.46Å; P928-W930 VanDerWaalsContact CG-CZ2 3.46Å; P928-W930 PolarHBondContact O-N 3Å; W930-N932 PolarHBondContact O-N 3.31Å; W930-I936 HydrophobicContact CB-CD1 4.16Å
931	H	85.2	Confident	89.1	Confident	101 Å²	101	63.1 Å²	63.1	47%	0.468	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-62.9	-30.7	168	-84.2	68.6	0	0	0	112	L918 M927 P928 P929	L918-H931 HydrophobicContact CD2-CB 4.12Å; M927-H931 HydrophobicContact CG-CB 4.38Å; P928-H931 WeakPolarHBondContact O-CB 3.5Å; P928-H931 PolarHBondContact O-N 3.35Å; P928-H931 PolarHBondContact O-ND1 2.87Å; P929-H931 PolarHBondContact O-N 2.93Å
932	N	90.1	Very high	89.9	Confident	3 Å²	3	61.4 Å²	61.4	2%	0.016	31%	0.311	C	S	.	.			trans	-118.4	88.3	173	-172.5	-9.4	0	0	0	109.9	A808 N812 L918 P929 W930 W934 L935 I936	A808-N932 PolarHBondContact O-ND2 3.12Å; N812-N932 PolarHBondContact OD1-ND2 3.33Å; L918-N932 HydrophobicContact CD2-CB 4.34Å; P929-N932 PolarHBondContact O-N 3.35Å; W930-N932 PolarHBondContact O-N 3.31Å; N932-W934 PolarHBondContact O-N 3.46Å; N932-W934 WeakPolarHBondContact OD1-CB 3.45Å; N932-W934 PolarHBondContact OD1-N 2.97Å; N932-W934 VanDerWaalsContact OD1-N 3.1Å; N932-L935 HydrophobicContact CB-CB 4Å; N932-L935 WeakPolarHBondContact O-CB 3.46Å; N932-L935 PolarHBondContact O-N 2.99Å; N932-L935 VanDerWaalsContact O-N 3.09Å; N932-L935 PolarHBondContact OD1-N 3.31Å; N932-L935 VanDerWaalsContact OD1-N 3.11Å; N932-I936 PolarHBondContact O-N 3.39Å
933	M	92.2	Very high	90.6	Very high	145 Å²	145	60.2 Å²	60.2	71%	0.714	31%	0.306	S	S	*	.	H	α-helix	trans	-62.8	-26	176.7	-69.7	-163.1	71.4	0	0	113.1	L935 I936 A937	M933-L935 VanDerWaalsContact C-N 3.32Å; M933-I936 PolarHBondContact O-N 3.48Å; M933-A937 WeakPolarHBondContact O-CB 3.38Å; M933-A937 PolarHBondContact O-N 3.21Å
934	W	93	Very high	91.1	Very high	170 Å²	170	64 Å²	64	64%	0.644	33%	0.329	S	S	*	.	H	α-helix	trans	-67.1	-35.6	174.5	-63.6	102.2	0	0	0	111.5	A808 F811 N932 A937 A938	A808-W934 HydrophobicContact CB-CB 4.42Å; F811-W934 HydrophobicContact CB-CB 4.46Å; F811-W934 HydrophobicContact CB-CG 4.47Å; F811-W934 HydrophobicContact CD2-CB 4.42Å; F811-W934 HydrophobicContact CG-CG 4.38Å; N932-W934 PolarHBondContact O-N 3.46Å; N932-W934 WeakPolarHBondContact OD1-CB 3.45Å; N932-W934 PolarHBondContact OD1-N 2.97Å; N932-W934 VanDerWaalsContact OD1-N 3.1Å; W934-A937 PolarHBondContact O-N 3.44Å; W934-A938 VanDerWaalsContact O-CB 3.29Å; W934-A938 WeakPolarHBondContact O-CB 3.47Å; W934-A938 PolarHBondContact O-N 2.87Å
935	L	94.2	Very high	91.5	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-65.3	-44	175.2	-176.6	65.8	0	0	0	111.6	P805 A808 L809 A914 L915 L918 N932 M933 A937 A938 I939	P805-L935 HydrophobicContact CB-CD1 4.02Å; A808-L935 HydrophobicContact CB-CB 4.25Å; A808-L935 HydrophobicContact CB-CD1 4.07Å; L809-L935 HydrophobicContact CD2-CD1 4.13Å; L809-L935 HydrophobicContact CD2-CD2 4.01Å; L809-L935 HydrophobicContact CG-CD1 4.13Å; A914-L935 HydrophobicContact CB-CD1 4.23Å; L915-L935 HydrophobicContact CD2-CD2 4.16Å; L918-L935 HydrophobicContact CD1-CD2 3.47Å; L918-L935 VanDerWaalsContact CD1-CD2 3.47Å; L918-L935 HydrophobicContact CG-CD2 4.12Å; N932-L935 HydrophobicContact CB-CB 4Å; N932-L935 WeakPolarHBondContact O-CB 3.46Å; N932-L935 PolarHBondContact O-N 2.99Å; N932-L935 VanDerWaalsContact O-N 3.09Å; N932-L935 PolarHBondContact OD1-N 3.31Å; N932-L935 VanDerWaalsContact OD1-N 3.11Å; M933-L935 VanDerWaalsContact C-N 3.32Å; L935-A937 VanDerWaalsContact C-N 3.33Å; L935-A937 PolarHBondContact O-N 3.31Å; L935-A938 PolarHBondContact O-N 3.49Å; L935-I939 HydrophobicContact CD1-CD1 4.27Å; L935-I939 HydrophobicContact CD1-CG1 4.45Å; L935-I939 HydrophobicContact CG-CD1 3.96Å; L935-I939 WeakPolarHBondContact O-CB 3.46Å; L935-I939 VanDerWaalsContact O-CG1 3.32Å; L935-I939 WeakPolarHBondContact O-CG1 3.31Å; L935-I939 PolarHBondContact O-N 2.9Å
936	I	94.4	Very high	92.1	Very high	62 Å²	62	60 Å²	60	32%	0.318	30%	0.304	S	S	.	.	H	α-helix	trans	-60.9	-46.3	175.8	-61.6	179	0	0	0	110.2	P929 W930 N932 M933 A938 I939 C940	P929-I936 HydrophobicContact CB-CD1 4.29Å; P929-I936 HydrophobicContact CB-CG1 4.5Å; W930-I936 HydrophobicContact CB-CD1 4.16Å; N932-I936 PolarHBondContact O-N 3.39Å; M933-I936 PolarHBondContact O-N 3.48Å; I936-A938 VanDerWaalsContact C-N 3.33Å; I936-A938 PolarHBondContact O-N 2.8Å; I936-I939 PolarHBondContact O-N 2.84Å; I936-C940 WeakPolarHBondContact O-CB 3.3Å; I936-C940 PolarHBondContact O-N 2.87Å; I936-C940 PolarHBondContact O-SG 3.48Å
937	A	95.5	Very high	92.6	Very high	54 Å²	54	59 Å²	59	45%	0.446	29%	0.292	S	S	.	.	H	α-helix	trans	-61.1	-42	177.6	0	0	0	0	0	112	M933 W934 L935 C940 F941	M933-A937 WeakPolarHBondContact O-CB 3.38Å; M933-A937 PolarHBondContact O-N 3.21Å; W934-A937 PolarHBondContact O-N 3.44Å; L935-A937 VanDerWaalsContact C-N 3.33Å; L935-A937 PolarHBondContact O-N 3.31Å; A937-C940 PolarHBondContact O-N 3.25Å; A937-F941 WeakPolarHBondContact O-CB 3.44Å; A937-F941 PolarHBondContact O-N 3.26Å
938	A	95.4	Very high	93.2	Very high	12 Å²	12	58.7 Å²	58.7	10%	0.099	30%	0.296	C	S	.	.	H	α-helix	trans	-64	-45.2	176.9	0	0	0	0	0	111.8	L804 A808 W934 L935 I936 C940 F941 S942	L804-A938 HydrophobicContact CB-CB 4.47Å; A808-A938 HydrophobicContact CB-CB 3.61Å; W934-A938 VanDerWaalsContact O-CB 3.29Å; W934-A938 WeakPolarHBondContact O-CB 3.47Å; W934-A938 PolarHBondContact O-N 2.87Å; L935-A938 PolarHBondContact O-N 3.49Å; I936-A938 VanDerWaalsContact C-N 3.33Å; I936-A938 PolarHBondContact O-N 2.8Å; A938-C940 PolarHBondContact O-N 3.22Å; A938-F941 PolarHBondContact O-N 3.05Å; A938-S942 WeakPolarHBondContact O-CB 3.31Å; A938-S942 PolarHBondContact O-N 3.13Å; A938-S942 PolarHBondContact O-OG 3.42Å
939	I	95.2	Very high	93.5	Very high	24 Å²	24	58 Å²	58	12%	0.123	29%	0.291	C	S	.	.	H	α-helix	trans	-60.4	-46.5	175.7	-70.9	168.4	0	0	0	110.8	P805 M911 A914 L915 L935 I936 F941 S942 M943	P805-I939 HydrophobicContact CG-CG1 4.48Å; M911-I939 HydrophobicContact CB-CG2 3.95Å; M911-I939 HydrophobicContact CG-CG2 3.99Å; M911-I939 HydrophobicContact SD-CB 4.1Å; M911-I939 HydrophobicContact SD-CG1 3.92Å; M911-I939 HydrophobicContact SD-CG2 3.93Å; A914-I939 HydrophobicContact CB-CD1 4.45Å; L915-I939 HydrophobicContact CD2-CD1 3.55Å; L915-I939 HydrophobicContact CG-CD1 3.83Å; L935-I939 HydrophobicContact CD1-CD1 4.27Å; L935-I939 HydrophobicContact CD1-CG1 4.45Å; L935-I939 HydrophobicContact CG-CD1 3.96Å; L935-I939 WeakPolarHBondContact O-CB 3.46Å; L935-I939 VanDerWaalsContact O-CG1 3.32Å; L935-I939 WeakPolarHBondContact O-CG1 3.31Å; L935-I939 PolarHBondContact O-N 2.9Å; I936-I939 PolarHBondContact O-N 2.84Å; I939-F941 VanDerWaalsContact C-N 3.27Å; I939-F941 PolarHBondContact O-N 2.96Å; I939-S942 PolarHBondContact O-N 3.28Å; I939-M943 WeakPolarHBondContact O-CB 3.4Å; I939-M943 WeakPolarHBondContact O-CG 3.41Å; I939-M943 PolarHBondContact O-N 3.04Å
940	C	95.9	Very high	93.8	Very high	72 Å²	72	56.7 Å²	56.7	49%	0.486	28%	0.282	S	S	.	.	H	α-helix	trans	-60.2	-39.6	176.5	-71	0	0	0	0	111.9	I936 A937 A938 T944	I936-C940 WeakPolarHBondContact O-CB 3.3Å; I936-C940 PolarHBondContact O-N 2.87Å; I936-C940 PolarHBondContact O-SG 3.48Å; A937-C940 PolarHBondContact O-N 3.25Å; A938-C940 PolarHBondContact O-N 3.22Å; C940-T944 WeakPolarHBondContact O-CB 3.43Å; C940-T944 PolarHBondContact O-N 3.4Å; C940-T944 PolarHBondContact O-OG1 3.45Å
941	F	96.3	Very high	94	Very high	108 Å²	108	54.3 Å²	54.3	47%	0.474	27%	0.274	S	S	.	.	H	α-helix	trans	-70.4	-44.2	178.6	-169.5	-122.6	0	0	0	111.9	L804 A937 A938 I939 M943 T944 L945	L804-F941 HydrophobicContact CD1-CD1 3.5Å; L804-F941 VanDerWaalsContact CD1-CD1 3.5Å; L804-F941 HydrophobicContact CD1-CE1 3.94Å; L804-F941 HydrophobicContact CD2-CD1 4.2Å; L804-F941 HydrophobicContact CD2-CE1 4.47Å; L804-F941 HydrophobicContact CG-CD1 4.48Å; A937-F941 WeakPolarHBondContact O-CB 3.44Å; A937-F941 PolarHBondContact O-N 3.26Å; A938-F941 PolarHBondContact O-N 3.05Å; I939-F941 VanDerWaalsContact C-N 3.27Å; I939-F941 PolarHBondContact O-N 2.96Å; F941-M943 VanDerWaalsContact C-N 3.35Å; F941-M943 PolarHBondContact O-N 3.44Å; F941-T944 WeakPolarHBondContact O-CB 3.45Å; F941-T944 PolarHBondContact O-N 3.16Å; F941-T944 VanDerWaalsContact O-N 3.11Å; F941-L945 HydrophobicContact CD1-CD1 4.1Å; F941-L945 HydrophobicContact CE1-CD1 3.77Å; F941-L945 HydrophobicContact CE1-CG 4.37Å; F941-L945 HydrophobicContact CZ-CD1 4.13Å; F941-L945 HydrophobicContact CZ-CD2 4.29Å; F941-L945 HydrophobicContact CZ-CG 4.29Å; F941-L945 WeakPolarHBondContact O-CG 3.48Å; F941-L945 PolarHBondContact O-N 3.38Å
942	S	95.8	Very high	94.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.3	-44.2	173.4	-68.9	0	0	0	0	111.8	T801 A938 I939 T944 L945 H946	T801-S942 PolarHBondContact O-OG 3.01Å; A938-S942 WeakPolarHBondContact O-CB 3.31Å; A938-S942 PolarHBondContact O-N 3.13Å; A938-S942 PolarHBondContact O-OG 3.42Å; I939-S942 PolarHBondContact O-N 3.28Å; S942-T944 VanDerWaalsContact C-N 3.33Å; S942-T944 PolarHBondContact O-N 3.49Å; S942-L945 PolarHBondContact O-N 3.2Å; S942-H946 PolarHBondContact O-N 3.4Å
943	M	95.5	Very high	94.3	Very high	32 Å²	32	59.5 Å²	59.5	16%	0.158	31%	0.305	C	S	.	.	H	α-helix	trans	-63.9	-38.1	174.8	-72.4	-58.9	-60.3	0	0	112.3	V907 M911 I939 F941 H946 F947	V907-M943 HydrophobicContact CG1-SD 3.98Å; M911-M943 HydrophobicContact CG-CG 4.17Å; M911-M943 HydrophobicContact CG-SD 3.93Å; I939-M943 WeakPolarHBondContact O-CB 3.4Å; I939-M943 WeakPolarHBondContact O-CG 3.41Å; I939-M943 PolarHBondContact O-N 3.04Å; F941-M943 VanDerWaalsContact C-N 3.35Å; F941-M943 PolarHBondContact O-N 3.44Å; M943-H946 WeakPolarHBondContact O-CB 3.32Å; M943-H946 PolarHBondContact O-N 3.09Å; M943-F947 HydrophobicContact CB-CE2 4.41Å; M943-F947 HydrophobicContact CE-CE2 4.06Å; M943-F947 HydrophobicContact CE-CZ 4.07Å; M943-F947 WeakPolarHBondContact O-CD2 3.44Å; M943-F947 WeakPolarHBondContact O-CG 3.28Å; M943-F947 PolarHBondContact O-N 3.23Å
944	T	96.4	Very high	94.2	Very high	84 Å²	84	57.5 Å²	57.5	52%	0.515	30%	0.3	S	S	.	.	H	α-helix	trans	-63.8	-41.8	175.7	-57.1	0	0	0	0	111.2	C940 F941 S942 F947 A948	C940-T944 WeakPolarHBondContact O-CB 3.43Å; C940-T944 PolarHBondContact O-N 3.4Å; C940-T944 PolarHBondContact O-OG1 3.45Å; F941-T944 WeakPolarHBondContact O-CB 3.45Å; F941-T944 PolarHBondContact O-N 3.16Å; F941-T944 VanDerWaalsContact O-N 3.11Å; S942-T944 VanDerWaalsContact C-N 3.33Å; S942-T944 PolarHBondContact O-N 3.49Å; T944-F947 PolarHBondContact O-N 3.3Å; T944-A948 PolarHBondContact O-N 2.9Å
945	L	95.1	Very high	93.9	Very high	38 Å²	38	51.9 Å²	51.9	20%	0.199	28%	0.283	C	S	.	.	H	α-helix	trans	-65.5	-38.4	174.7	-69.5	174.8	0	0	0	111.8	V800 L804 F941 S942 F947 A948 I949	V800-L945 HydrophobicContact CG1-CD1 3.68Å; L804-L945 HydrophobicContact CD1-CD1 3.8Å; F941-L945 HydrophobicContact CD1-CD1 4.1Å; F941-L945 HydrophobicContact CE1-CD1 3.77Å; F941-L945 HydrophobicContact CE1-CG 4.37Å; F941-L945 HydrophobicContact CZ-CD1 4.13Å; F941-L945 HydrophobicContact CZ-CD2 4.29Å; F941-L945 HydrophobicContact CZ-CG 4.29Å; F941-L945 WeakPolarHBondContact O-CG 3.48Å; F941-L945 PolarHBondContact O-N 3.38Å; S942-L945 PolarHBondContact O-N 3.2Å; L945-F947 PolarHBondContact O-N 3.03Å; L945-A948 WeakPolarHBondContact O-CB 3.44Å; L945-A948 PolarHBondContact O-N 3.12Å; L945-A948 VanDerWaalsContact O-N 3.11Å; L945-I949 PolarHBondContact O-N 2.9Å
946	H	95.6	Very high	93.7	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-61.2	-43.3	173.5	-171.1	58.8	0	0	0	111.9	S904 V907 S942 M943 A948 I949 L950 W969	S904-H946 PolarHBondContact OG-NE2 2.92Å; S904-H946 VanDerWaalsContact OG-NE2 3.09Å; V907-H946 HydrophobicContact CG1-CB 4.17Å; S942-H946 PolarHBondContact O-N 3.4Å; M943-H946 WeakPolarHBondContact O-CB 3.32Å; M943-H946 PolarHBondContact O-N 3.09Å; H946-A948 VanDerWaalsContact C-N 3.32Å; H946-A948 PolarHBondContact O-N 2.92Å; H946-I949 WeakPolarHBondContact O-CG1 3.38Å; H946-I949 PolarHBondContact O-N 2.93Å; H946-L950 WeakPolarHBondContact O-CG 3.41Å; H946-L950 PolarHBondContact O-N 3.39Å; H946-W969 AromaticContact CD2-CH2 3.87Å; H946-W969 AromaticContact NE2-CH2 3.99Å
947	F	95	Very high	93.3	Very high	76 Å²	76	55.1 Å²	55.1	33%	0.333	30%	0.302	S	S	.	.	H	α-helix	trans	-65.2	-36.2	172.2	-67.7	-57.5	0	0	0	112.1	M943 T944 L945 I949 L950 Y951 W969	M943-F947 HydrophobicContact CB-CE2 4.41Å; M943-F947 HydrophobicContact CE-CE2 4.06Å; M943-F947 HydrophobicContact CE-CZ 4.07Å; M943-F947 WeakPolarHBondContact O-CD2 3.44Å; M943-F947 WeakPolarHBondContact O-CG 3.28Å; M943-F947 PolarHBondContact O-N 3.23Å; T944-F947 PolarHBondContact O-N 3.3Å; L945-F947 PolarHBondContact O-N 3.03Å; F947-I949 PolarHBondContact O-N 2.9Å; F947-L950 PolarHBondContact O-N 3.26Å; F947-Y951 HydrophobicContact CB-CD2 4.17Å; F947-Y951 HydrophobicContact CB-CE2 4.38Å; F947-Y951 HydrophobicContact CD1-CD2 4.42Å; F947-Y951 AromaticContact CD1-CE2 3.81Å; F947-Y951 HydrophobicContact CD1-CE2 3.81Å; F947-Y951 WeakPolarHBondContact O-CD2 3.23Å; F947-Y951 PolarHBondContact O-N 2.79Å; F947-W969 HydrophobicContact CD1-CZ2 4.04Å; F947-W969 AromaticContact CE1-CE2 3.89Å; F947-W969 AromaticContact CE1-CH2 3.9Å; F947-W969 HydrophobicContact CE1-CH2 3.9Å; F947-W969 AromaticContact CE1-CZ2 3.38Å; F947-W969 HydrophobicContact CE1-CZ2 3.38Å; F947-W969 HydrophobicContact CZ-CH2 4.37Å; F947-W969 HydrophobicContact CZ-CZ2 4.24Å
948	A	94	Very high	92.9	Very high	30 Å²	30	55.8 Å²	55.8	25%	0.248	30%	0.297	C	S	.	.	H	α-helix	trans	-61.8	-44.1	177.1	0	0	0	0	0	112.1	T944 L945 H946 L950 I952	T944-A948 PolarHBondContact O-N 2.9Å; L945-A948 WeakPolarHBondContact O-CB 3.44Å; L945-A948 PolarHBondContact O-N 3.12Å; L945-A948 VanDerWaalsContact O-N 3.11Å; H946-A948 VanDerWaalsContact C-N 3.32Å; H946-A948 PolarHBondContact O-N 2.92Å; A948-L950 VanDerWaalsContact C-N 3.27Å; A948-L950 PolarHBondContact O-N 2.92Å; A948-I952 HydrophobicContact CB-CD1 4.04Å; A948-I952 WeakPolarHBondContact O-CB 3.16Å; A948-I952 WeakPolarHBondContact O-CG1 3.21Å; A948-I952 PolarHBondContact O-N 2.94Å
949	I	93.6	Very high	92.6	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-66.4	-29.5	177.2	64.6	169.3	0	0	0	112.4	W796 L903 L945 H946 F947 L955 A956 F959 I961	W796-I949 HydrophobicContact CZ2-CG2 4Å; L903-I949 HydrophobicContact CD2-CD1 4.21Å; L945-I949 PolarHBondContact O-N 2.9Å; H946-I949 WeakPolarHBondContact O-CG1 3.38Å; H946-I949 PolarHBondContact O-N 2.93Å; F947-I949 PolarHBondContact O-N 2.9Å; I949-L955 HydrophobicContact CB-CB 4.38Å; I949-L955 HydrophobicContact CG2-CB 4.46Å; I949-L955 HydrophobicContact CG2-CD1 4.22Å; I949-A956 WeakPolarHBondContact O-CA 3.3Å; I949-A956 PolarHBondContact O-N 3.1Å; I949-F959 HydrophobicContact CB-CD2 4.12Å; I949-F959 HydrophobicContact CB-CE2 4.39Å; I949-F959 HydrophobicContact CG2-CD2 4.09Å; I949-F959 HydrophobicContact CG2-CE2 3.84Å; I949-I961 HydrophobicContact CB-CD1 3.96Å; I949-I961 HydrophobicContact CD1-CD1 3.76Å; I949-I961 HydrophobicContact CG1-CD1 3.74Å; I949-I961 WeakPolarHBondContact O-CD1 3.4Å
950	L	92.6	Very high	92.2	Very high	3 Å²	3	59 Å²	59	2%	0.016	31%	0.309	C	S	.	.	H	α-helix	trans	-78.2	-37.1	179.7	-71.9	173.2	0	0	0	114.3	T900 H946 F947 A948 I961 W969	T900-L950 HydrophobicContact CG2-CD2 3.36Å; H946-L950 WeakPolarHBondContact O-CG 3.41Å; H946-L950 PolarHBondContact O-N 3.39Å; F947-L950 PolarHBondContact O-N 3.26Å; A948-L950 VanDerWaalsContact C-N 3.27Å; A948-L950 PolarHBondContact O-N 2.92Å; L950-I961 HydrophobicContact CD2-CB 4.19Å; L950-I961 HydrophobicContact CD2-CD1 3.91Å; L950-I961 HydrophobicContact CD2-CG1 4.26Å; L950-I961 HydrophobicContact CG-CD1 4.48Å; L950-W969 HydrophobicContact CD1-CH2 4.45Å; L950-W969 HydrophobicContact CD1-CZ2 3.84Å
951	Y	92.3	Very high	91.9	Very high	124 Å²	124	55.9 Å²	55.9	49%	0.486	29%	0.288	S	S	.	.	H	α-helix	trans	-103.4	-14.2	-171.4	-68.2	-71.1	0	0	0	113.9	F947 A963	F947-Y951 HydrophobicContact CB-CD2 4.17Å; F947-Y951 HydrophobicContact CB-CE2 4.38Å; F947-Y951 HydrophobicContact CD1-CD2 4.42Å; F947-Y951 AromaticContact CD1-CE2 3.81Å; F947-Y951 HydrophobicContact CD1-CE2 3.81Å; F947-Y951 WeakPolarHBondContact O-CD2 3.23Å; F947-Y951 PolarHBondContact O-N 2.79Å; Y951-A963 HydrophobicContact CD1-CB 3.88Å; Y951-A963 HydrophobicContact CE1-CB 3.63Å
952	I	93.6	Very high	91.7	Very high	85 Å²	85	52 Å²	52	44%	0.436	28%	0.275	S	S	.	.	S	Bend	trans	-91.3	109	173.9	-60	173.4	0	0	0	108.9	A948 V954 L955 A956	A948-I952 HydrophobicContact CB-CD1 4.04Å; A948-I952 WeakPolarHBondContact O-CB 3.16Å; A948-I952 WeakPolarHBondContact O-CG1 3.21Å; A948-I952 PolarHBondContact O-N 2.94Å; I952-V954 PolarHBondContact O-N 3.07Å; I952-L955 HydrophobicContact CB-CB 4.41Å; I952-L955 HydrophobicContact CB-CD1 4.12Å; I952-L955 HydrophobicContact CB-CG 4.27Å; I952-L955 HydrophobicContact CD1-CD1 4.05Å; I952-L955 HydrophobicContact CG2-CD1 4.29Å; I952-L955 HydrophobicContact CG2-CG 4.12Å; I952-L955 PolarHBondContact O-N 3.46Å; I952-A956 PolarHBondContact O-N 2.95Å
953	N	88.4	Confident	91.5	Very high	128 Å²	128	53.8 Å²	53.8	68%	0.684	29%	0.29	S	S	*	.	H	α-helix	trans	-50.3	-38.2	-173.7	-67.3	-12.9	0	0	0	114.8	N957	N953-N957 PolarHBondContact O-N 3.47Å; N953-N957 VanDerWaalsContact O-N 3.1Å
954	V	89.6	Confident	91.4	Very high	102 Å²	102	52.8 Å²	52.8	62%	0.618	29%	0.285	S	S	*	.	H	α-helix	trans	-64.2	-45.5	179	178.5	0	0	0	0	110.9	I952 I958	I952-V954 PolarHBondContact O-N 3.07Å; V954-I958 HydrophobicContact CG1-CD1 4.16Å; V954-I958 WeakPolarHBondContact O-CD1 3.29Å; V954-I958 VanDerWaalsContact O-CG1 3.32Å; V954-I958 WeakPolarHBondContact O-CG1 3.46Å; V954-I958 PolarHBondContact O-N 3.31Å
955	L	88.5	Confident	91.2	Very high	53 Å²	53	52 Å²	52	28%	0.277	28%	0.278	S	S	.	.	H	α-helix	trans	-70.2	-43	178.9	-61	178.5	0	0	0	110.6	I949 I952 N957 I958 F959	I949-L955 HydrophobicContact CB-CB 4.38Å; I949-L955 HydrophobicContact CG2-CB 4.46Å; I949-L955 HydrophobicContact CG2-CD1 4.22Å; I952-L955 HydrophobicContact CB-CB 4.41Å; I952-L955 HydrophobicContact CB-CD1 4.12Å; I952-L955 HydrophobicContact CB-CG 4.27Å; I952-L955 HydrophobicContact CD1-CD1 4.05Å; I952-L955 HydrophobicContact CG2-CD1 4.29Å; I952-L955 HydrophobicContact CG2-CG 4.12Å; I952-L955 PolarHBondContact O-N 3.46Å; L955-N957 VanDerWaalsContact C-N 3.26Å; L955-N957 PolarHBondContact O-N 3.3Å; L955-I958 PolarHBondContact O-N 3.06Å; L955-I958 VanDerWaalsContact O-N 3.07Å; L955-F959 HydrophobicContact CB-CD2 4.36Å; L955-F959 VanDerWaalsContact O-CD2 3.23Å; L955-F959 WeakPolarHBondContact O-CD2 3.49Å; L955-F959 PolarHBondContact O-N 3.1Å
956	A	89.1	Confident	90.9	Very high	8 Å²	8	56.5 Å²	56.5	7%	0.066	30%	0.301	C	S	.	.	H	α-helix	trans	-56.4	-40.4	179.2	0	0	0	0	0	112.4	I949 I952 Q960 I961	I949-A956 WeakPolarHBondContact O-CA 3.3Å; I949-A956 PolarHBondContact O-N 3.1Å; I952-A956 PolarHBondContact O-N 2.95Å; A956-Q960 WeakPolarHBondContact O-CA 3.23Å; A956-Q960 PolarHBondContact O-N 2.97Å; A956-I961 HydrophobicContact CB-CG1 4.3Å; A956-I961 WeakPolarHBondContact CB-O 3.34Å; A956-I961 PolarHBondContact O-N 3.28Å
957	N	86.7	Confident	90.6	Very high	122 Å²	122	59 Å²	59	65%	0.652	32%	0.321	S	S	*	.	H	α-helix	trans	-68.4	-42.1	175.1	-74.4	-11.1	0	0	0	112.8	N953 L955 F959 Q960	N953-N957 PolarHBondContact O-N 3.47Å; N953-N957 VanDerWaalsContact O-N 3.1Å; L955-N957 VanDerWaalsContact C-N 3.26Å; L955-N957 PolarHBondContact O-N 3.3Å; N957-F959 VanDerWaalsContact C-N 3.32Å; N957-F959 PolarHBondContact O-N 3.47Å; N957-Q960 PolarHBondContact O-N 2.91Å
958	I	86.3	Confident	90.5	Very high	67 Å²	67	55.7 Å²	55.7	34%	0.344	31%	0.307	S	S	.	.	H	α-helix	trans	-62.2	-41.9	178.5	-68.6	165.7	0	0	0	110.9	V90 V954 L955	V90-I958 HydrophobicContact CG1-CG2 4.26Å; V954-I958 HydrophobicContact CG1-CD1 4.16Å; V954-I958 WeakPolarHBondContact O-CD1 3.29Å; V954-I958 VanDerWaalsContact O-CG1 3.32Å; V954-I958 WeakPolarHBondContact O-CG1 3.46Å; V954-I958 PolarHBondContact O-N 3.31Å; L955-I958 PolarHBondContact O-N 3.06Å; L955-I958 VanDerWaalsContact O-N 3.07Å
959	F	88.2	Confident	90.5	Very high	15 Å²	15	56.5 Å²	56.5	7%	0.066	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	0.2	-179	-70.7	-71.3	0	0	0	113.8	V792 Q793 W796 I949 L955 N957 I961	V792-F959 HydrophobicContact CG1-CD1 3.88Å; V792-F959 HydrophobicContact CG1-CE1 3.83Å; Q793-F959 HydrophobicContact CG-CD1 4.4Å; Q793-F959 PolarHBondContact NE2-O 2.9Å; W796-F959 HydrophobicContact CB-CE1 3.61Å; W796-F959 HydrophobicContact CB-CZ 4.03Å; W796-F959 HydrophobicContact CD2-CE1 4.26Å; W796-F959 AromaticContact CD2-CZ 3.75Å; W796-F959 HydrophobicContact CD2-CZ 3.75Å; W796-F959 HydrophobicContact CE3-CE1 4.41Å; W796-F959 AromaticContact CE3-CZ 3.68Å; W796-F959 HydrophobicContact CE3-CZ 3.68Å; W796-F959 AromaticContact CG-CE1 3.94Å; W796-F959 HydrophobicContact CG-CE1 3.94Å; W796-F959 AromaticContact CG-CZ 3.91Å; W796-F959 HydrophobicContact CG-CZ 3.91Å; W796-F959 HydrophobicContact CZ3-CZ 4.39Å; I949-F959 HydrophobicContact CB-CD2 4.12Å; I949-F959 HydrophobicContact CB-CE2 4.39Å; I949-F959 HydrophobicContact CG2-CD2 4.09Å; I949-F959 HydrophobicContact CG2-CE2 3.84Å; L955-F959 HydrophobicContact CB-CD2 4.36Å; L955-F959 VanDerWaalsContact O-CD2 3.23Å; L955-F959 WeakPolarHBondContact O-CD2 3.49Å; L955-F959 PolarHBondContact O-N 3.1Å; N957-F959 VanDerWaalsContact C-N 3.32Å; N957-F959 PolarHBondContact O-N 3.47Å; F959-I961 VanDerWaalsContact C-N 3.32Å; F959-I961 HydrophobicContact CB-CD1 3.69Å; F959-I961 HydrophobicContact CB-CG1 3.83Å; F959-I961 HydrophobicContact CB-CG2 4.48Å; F959-I961 HydrophobicContact CG-CD1 4.46Å; F959-I961 PolarHBondContact O-N 3.46Å
960	Q	87.2	Confident	90.4	Very high	88 Å²	88	61.3 Å²	61.3	41%	0.411	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	46.8	-175	-60.2	-173.5	-15.6	0	0	113.5	I790 P896 M899 A956 N957	I790-Q960 HydrophobicContact CD1-CB 4.18Å; I790-Q960 HydrophobicContact CD1-CG 4.23Å; P896-Q960 WeakPolarHBondContact CB-O 3.48Å; M899-Q960 HydrophobicContact CE-CB 4.08Å; A956-Q960 WeakPolarHBondContact O-CA 3.23Å; A956-Q960 PolarHBondContact O-N 2.97Å; N957-Q960 PolarHBondContact O-N 2.91Å
961	I	90.7	Very high	90.3	Very high	8 Å²	8	61.2 Å²	61.2	4%	0.041	33%	0.325	C	S	.	.			trans	-122.9	155.3	-178.7	54.7	-175.4	0	0	0	111.6	L903 I949 L950 A956 F959	L903-I961 HydrophobicContact CD2-CD1 4.47Å; L903-I961 HydrophobicContact CD2-CG2 3.96Å; I949-I961 HydrophobicContact CB-CD1 3.96Å; I949-I961 HydrophobicContact CD1-CD1 3.76Å; I949-I961 HydrophobicContact CG1-CD1 3.74Å; I949-I961 WeakPolarHBondContact O-CD1 3.4Å; L950-I961 HydrophobicContact CD2-CB 4.19Å; L950-I961 HydrophobicContact CD2-CD1 3.91Å; L950-I961 HydrophobicContact CD2-CG1 4.26Å; L950-I961 HydrophobicContact CG-CD1 4.48Å; A956-I961 HydrophobicContact CB-CG1 4.3Å; A956-I961 WeakPolarHBondContact CB-O 3.34Å; A956-I961 PolarHBondContact O-N 3.28Å; F959-I961 VanDerWaalsContact C-N 3.32Å; F959-I961 HydrophobicContact CB-CD1 3.69Å; F959-I961 HydrophobicContact CB-CG1 3.83Å; F959-I961 HydrophobicContact CB-CG2 4.48Å; F959-I961 HydrophobicContact CG-CD1 4.46Å; F959-I961 PolarHBondContact O-N 3.46Å
962	A	91.4	Very high	90.4	Very high	25 Å²	25	55.3 Å²	55.3	21%	0.207	30%	0.302	C	S	.	.			trans	-128.3	144.4	175	0	0	0	0	0	111.8	P896 K897 T900	P896-A962 HydrophobicContact CB-CB 4.22Å; P896-A962 HydrophobicContact CG-CB 3.83Å; K897-A962 HydrophobicContact CD-CB 4.03Å; K897-A962 HydrophobicContact CG-CB 4.29Å; T900-A962 VanDerWaalsContact CG2-O 3.28Å; T900-A962 WeakPolarHBondContact CG2-O 3.4Å; T900-A962 PolarHBondContact OG1-N 3.23Å; T900-A962 PolarHBondContact OG1-O 3.42Å
963	A	92.6	Very high	90.4	Very high	39 Å²	39	54.3 Å²	54.3	32%	0.322	30%	0.296	S	S	.	.			trans	-56.3	135.3	-179.7	0	0	0	0	0	113	K897 Y951	K897-A963 WeakPolarHBondContact CE-O 3.35Å; K897-A963 PolarHBondContact NZ-O 2.83Å; Y951-A963 HydrophobicContact CD1-CB 3.88Å; Y951-A963 HydrophobicContact CE1-CB 3.63Å
964	L	91.8	Very high	90.6	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.052	27%	0.265	C	S	.	.			trans	-86.6	147.7	178.3	-62.5	-178.6	0	0	0	112.7	K897 T900 M901 E968 W969 V972	K897-L964 HydrophobicContact CD-CD2 4.38Å; T900-L964 HydrophobicContact CG2-CD1 3.93Å; T900-L964 HydrophobicContact CG2-CD2 3.59Å; T900-L964 HydrophobicContact CG2-CG 3.53Å; M901-L964 HydrophobicContact CG-CD2 4.19Å; M901-L964 HydrophobicContact SD-CD1 3.91Å; M901-L964 HydrophobicContact SD-CD2 3.74Å; M901-L964 HydrophobicContact SD-CG 4.47Å; L964-E968 VanDerWaalsContact CA-OE2 3.22Å; L964-E968 WeakPolarHBondContact CA-OE2 3.5Å; L964-E968 HydrophobicContact CB-CB 4.04Å; L964-E968 HydrophobicContact CD2-CB 4.11Å; L964-E968 HydrophobicContact CD2-CG 4.49Å; L964-E968 WeakPolarHBondContact CD2-OE2 3.31Å; L964-E968 HydrophobicContact CG-CB 4.44Å; L964-W969 HydrophobicContact CB-CG 4.4Å; L964-W969 HydrophobicContact CD1-CD2 4.34Å; L964-W969 HydrophobicContact CD1-CZ2 4.34Å; L964-V972 HydrophobicContact CD1-CG2 4.04Å
965	N	92	Very high	90.8	Very high	69 Å²	69	44.8 Å²	44.8	37%	0.369	24%	0.242	S	C	.	.			trans	-86	175.4	171	77.6	25.5	0	0	0	111.7	Y861 A967 E968 W969	Y861-N965 PolarHBondContact OH-ND2 2.77Å; Y861-N965 PolarHBondContact OH-OD1 3.5Å; N965-A967 VanDerWaalsContact C-N 3.35Å; N965-A967 PolarHBondContact O-N 3.29Å; N965-A967 PolarHBondContact OD1-N 2.99Å; N965-E968 PolarHBondContact N-OE2 3.29Å; N965-E968 PolarHBondContact O-N 3.18Å; N965-E968 WeakPolarHBondContact OD1-CB 3.25Å; N965-E968 WeakPolarHBondContact OD1-CG 3.44Å; N965-E968 PolarHBondContact OD1-N 3.22Å; N965-W969 PolarHBondContact O-N 3.29Å
966	I	89.8	Confident	91	Very high	132 Å²	132	42.2 Å²	42.2	68%	0.677	23%	0.228	S	C	*	.	H	α-helix	trans	-64.5	-37.7	-175.9	-64.2	168.8	0	0	0	112	W969 F970	I966-W969 PolarHBondContact O-N 2.83Å; I966-F970 HydrophobicContact CG2-CD2 3.88Å; I966-F970 HydrophobicContact CG2-CE2 3.89Å; I966-F970 WeakPolarHBondContact O-CD2 3.43Å; I966-F970 PolarHBondContact O-N 3.09Å
967	A	89.7	Confident	91.2	Very high	52 Å²	52	43.7 Å²	43.7	43%	0.43	24%	0.235	S	C	.	.	H	α-helix	trans	-67.7	-42.9	179.6	0	0	0	0	0	111.6	Y861 N965 F970 A971	Y861-A967 HydrophobicContact CE2-CB 4.35Å; N965-A967 VanDerWaalsContact C-N 3.35Å; N965-A967 PolarHBondContact O-N 3.29Å; N965-A967 PolarHBondContact OD1-N 2.99Å; A967-F970 PolarHBondContact O-N 3.2Å; A967-A971 PolarHBondContact O-N 3.4Å; A967-A971 VanDerWaalsContact O-N 3.1Å
968	E	92.3	Very high	91.5	Very high	7 Å²	7	38.2 Å²	38.2	3%	0.033	21%	0.205	C	C	.	.	H	α-helix	trans	-58.5	-46.2	173.2	-71.6	167.1	168.6	0	0	110.7	Y861 K897 M901 L964 N965 F970 A971 V972	Y861-E968 HydrophobicContact CE1-CG 4.02Å; K897-E968 IonicContact NZ-OE1 2.75Å; K897-E968 PolarHBondContact NZ-OE1 3.35Å; K897-E968 IonicContact NZ-OE2 3.57Å; K897-E968 PolarHBondContact NZ-OE2 3.07Å; M901-E968 HydrophobicContact SD-CB 3.75Å; M901-E968 HydrophobicContact SD-CG 4.14Å; L964-E968 VanDerWaalsContact CA-OE2 3.22Å; L964-E968 WeakPolarHBondContact CA-OE2 3.5Å; L964-E968 HydrophobicContact CB-CB 4.04Å; L964-E968 HydrophobicContact CD2-CB 4.11Å; L964-E968 HydrophobicContact CD2-CG 4.49Å; L964-E968 WeakPolarHBondContact CD2-OE2 3.31Å; L964-E968 HydrophobicContact CG-CB 4.44Å; N965-E968 PolarHBondContact N-OE2 3.29Å; N965-E968 PolarHBondContact O-N 3.18Å; N965-E968 WeakPolarHBondContact OD1-CB 3.25Å; N965-E968 WeakPolarHBondContact OD1-CG 3.44Å; N965-E968 PolarHBondContact OD1-N 3.22Å; E968-F970 PolarHBondContact O-N 3.25Å; E968-A971 WeakPolarHBondContact O-CB 3.2Å; E968-A971 PolarHBondContact O-N 3.26Å; E968-A971 VanDerWaalsContact O-N 3.16Å; E968-V972 WeakPolarHBondContact O-CG2 3.1Å; E968-V972 PolarHBondContact O-N 3.49Å
969	W	93.4	Very high	91.8	Very high	47 Å²	47	35 Å²	35	18%	0.178	19%	0.189	C	C	.	.	H	α-helix	trans	-62.3	-36.8	175.2	-87.2	115.7	0	0	0	113.9	H946 F947 L950 L964 N965 I966 A971 V972 L973	H946-W969 AromaticContact CD2-CH2 3.87Å; H946-W969 AromaticContact NE2-CH2 3.99Å; F947-W969 HydrophobicContact CD1-CZ2 4.04Å; F947-W969 AromaticContact CE1-CE2 3.89Å; F947-W969 AromaticContact CE1-CH2 3.9Å; F947-W969 HydrophobicContact CE1-CH2 3.9Å; F947-W969 AromaticContact CE1-CZ2 3.38Å; F947-W969 HydrophobicContact CE1-CZ2 3.38Å; F947-W969 HydrophobicContact CZ-CH2 4.37Å; F947-W969 HydrophobicContact CZ-CZ2 4.24Å; L950-W969 HydrophobicContact CD1-CH2 4.45Å; L950-W969 HydrophobicContact CD1-CZ2 3.84Å; L964-W969 HydrophobicContact CB-CG 4.4Å; L964-W969 HydrophobicContact CD1-CD2 4.34Å; L964-W969 HydrophobicContact CD1-CZ2 4.34Å; N965-W969 PolarHBondContact O-N 3.29Å; I966-W969 PolarHBondContact O-N 2.83Å; W969-A971 VanDerWaalsContact C-N 3.32Å; W969-V972 HydrophobicContact CE3-CB 4.12Å; W969-V972 HydrophobicContact CE3-CG1 4.04Å; W969-V972 HydrophobicContact CE3-CG2 4.48Å; W969-V972 HydrophobicContact CZ3-CG1 3.95Å; W969-V972 WeakPolarHBondContact O-CB 3.49Å; W969-V972 PolarHBondContact O-N 3.24Å; W969-L973 PolarHBondContact O-N 3.39Å
970	F	92.1	Very high	91.9	Very high	103 Å²	103	35.8 Å²	35.8	45%	0.452	19%	0.194	S	C	.	.	H	α-helix	trans	-64.1	-38.2	173.9	-95	-70.6	0	0	0	112.1	I966 A967 E968 L973 K974	I966-F970 HydrophobicContact CG2-CD2 3.88Å; I966-F970 HydrophobicContact CG2-CE2 3.89Å; I966-F970 WeakPolarHBondContact O-CD2 3.43Å; I966-F970 PolarHBondContact O-N 3.09Å; A967-F970 PolarHBondContact O-N 3.2Å; E968-F970 PolarHBondContact O-N 3.25Å; F970-L973 PolarHBondContact O-N 3.04Å; F970-K974 WeakPolarHBondContact O-CB 3.47Å; F970-K974 VanDerWaalsContact O-CG 3.3Å; F970-K974 WeakPolarHBondContact O-CG 3.47Å; F970-K974 PolarHBondContact O-N 3.06Å
971	A	91.6	Very high	92.1	Very high	2 Å²	2	32 Å²	32	2%	0.017	18%	0.176	C	C	.	.	H	α-helix	trans	-64.7	-44.9	173.5	0	0	0	0	0	111.2	W856 M901 A967 E968 W969 L973 K974 I975 L1022	W856-A971 HydrophobicContact CE3-CB 4.33Å; W856-A971 HydrophobicContact CH2-CB 3.51Å; W856-A971 HydrophobicContact CZ2-CB 3.72Å; W856-A971 HydrophobicContact CZ3-CB 3.85Å; M901-A971 HydrophobicContact CE-CB 4.17Å; A967-A971 PolarHBondContact O-N 3.4Å; A967-A971 VanDerWaalsContact O-N 3.1Å; E968-A971 WeakPolarHBondContact O-CB 3.2Å; E968-A971 PolarHBondContact O-N 3.26Å; E968-A971 VanDerWaalsContact O-N 3.16Å; W969-A971 VanDerWaalsContact C-N 3.32Å; A971-L973 VanDerWaalsContact C-N 3.31Å; A971-L973 PolarHBondContact O-N 3.4Å; A971-K974 PolarHBondContact O-N 3.32Å; A971-I975 WeakPolarHBondContact O-CB 3.33Å; A971-I975 VanDerWaalsContact O-CG1 3.32Å; A971-I975 WeakPolarHBondContact O-CG1 3.36Å; A971-I975 PolarHBondContact O-N 3.44Å; A971-L1022 HydrophobicContact CB-CD2 3.99Å
972	V	94.4	Very high	92	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-54.5	-47.7	174.1	172.9	0	0	0	0	110.9	M901 S904 V905 L908 L964 E968 W969 I975 S976	M901-V972 HydrophobicContact CE-CG2 3.7Å; M901-V972 HydrophobicContact SD-CG2 3.97Å; S904-V972 WeakPolarHBondContact O-CG1 3.47Å; V905-V972 HydrophobicContact CG2-CB 4.2Å; V905-V972 HydrophobicContact CG2-CG1 3.99Å; V905-V972 HydrophobicContact CG2-CG2 4.08Å; L908-V972 HydrophobicContact CB-CG1 4.3Å; L908-V972 HydrophobicContact CD2-CG1 3.91Å; L964-V972 HydrophobicContact CD1-CG2 4.04Å; E968-V972 WeakPolarHBondContact O-CG2 3.1Å; E968-V972 PolarHBondContact O-N 3.49Å; W969-V972 HydrophobicContact CE3-CB 4.12Å; W969-V972 HydrophobicContact CE3-CG1 4.04Å; W969-V972 HydrophobicContact CE3-CG2 4.48Å; W969-V972 HydrophobicContact CZ3-CG1 3.95Å; W969-V972 WeakPolarHBondContact O-CB 3.49Å; W969-V972 PolarHBondContact O-N 3.24Å; V972-I975 PolarHBondContact O-N 3.15Å; V972-S976 VanDerWaalsContact O-CB 3.3Å; V972-S976 WeakPolarHBondContact O-CB 3.23Å; V972-S976 PolarHBondContact O-N 3.22Å; V972-S976 PolarHBondContact O-OG 3.32Å
973	L	93.2	Very high	92	Very high	63 Å²	63	32.9 Å²	32.9	33%	0.33	18%	0.177	S	C	.	.	H	α-helix	trans	-62.6	-46.6	179	-166.9	103.2	0	0	0	112.2	L908 W969 F970 A971 I975 S976 I977 F1016	L908-L973 HydrophobicContact CD2-CB 4.49Å; L908-L973 HydrophobicContact CD2-CD1 4.29Å; W969-L973 PolarHBondContact O-N 3.39Å; F970-L973 PolarHBondContact O-N 3.04Å; A971-L973 VanDerWaalsContact C-N 3.31Å; A971-L973 PolarHBondContact O-N 3.4Å; L973-I975 VanDerWaalsContact C-N 3.33Å; L973-I975 PolarHBondContact O-N 3.09Å; L973-S976 PolarHBondContact O-N 2.99Å; L973-I977 HydrophobicContact CD2-CD1 3.73Å; L973-I977 HydrophobicContact CG-CD1 3.79Å; L973-I977 HydrophobicContact CG-CG1 4.34Å; L973-I977 WeakPolarHBondContact O-CG1 3.35Å; L973-I977 PolarHBondContact O-N 2.93Å; L973-F1016 HydrophobicContact CD2-CE1 4.43Å; L973-F1016 HydrophobicContact CD2-CZ 4.23Å
974	K	91.6	Very high	91.8	Very high	7 Å²	7	31.1 Å²	31.1	3%	0.03	16%	0.162	C	C	.	.	H	α-helix	trans	-61	-40.9	179.5	-76.4	171.9	-173.5	174.4	0	112.1	F970 A971 P978 Y1013 F1016 L1017 N1020 P1021 L1022	F970-K974 WeakPolarHBondContact O-CB 3.47Å; F970-K974 VanDerWaalsContact O-CG 3.3Å; F970-K974 WeakPolarHBondContact O-CG 3.47Å; F970-K974 PolarHBondContact O-N 3.06Å; A971-K974 PolarHBondContact O-N 3.32Å; K974-P978 WeakPolarHBondContact O-CD 3.43Å; K974-Y1013 WeakPolarHBondContact O-CE2 3.16Å; K974-Y1013 PolarHBondContact O-OH 3.24Å; K974-F1016 HydrophobicContact CG-CD1 4.39Å; K974-F1016 HydrophobicContact CG-CE1 3.67Å; K974-F1016 HydrophobicContact CG-CZ 4.47Å; K974-L1017 HydrophobicContact CB-CD2 4.33Å; K974-L1017 HydrophobicContact CD-CD2 4.23Å; K974-L1017 HydrophobicContact CG-CD2 4.29Å; K974-N1020 WeakPolarHBondContact CE-O 3.49Å; K974-N1020 PolarHBondContact NZ-O 3.33Å; K974-P1021 PolarHBondContact NZ-O 2.99Å; K974-L1022 HydrophobicContact CB-CD2 4.1Å; K974-L1022 HydrophobicContact CB-CG 4.35Å; K974-L1022 HydrophobicContact CD-CD2 4.09Å; K974-L1022 HydrophobicContact CD-CG 4.02Å
975	I	93.2	Very high	91.7	Very high	23 Å²	23	32.1 Å²	32.1	12%	0.118	17%	0.169	C	C	.	.	H	α-helix	trans	-73.4	-28.9	178.7	-65.5	169	0	0	0	111	Y845 A849 A853 V905 A971 V972 L973 P978 L1022	Y845-I975 PolarHBondContact OH-O 3.5Å; A849-I975 HydrophobicContact CB-CG2 3.74Å; A853-I975 HydrophobicContact CB-CD1 4.03Å; V905-I975 HydrophobicContact CG1-CG2 3.84Å; V905-I975 HydrophobicContact CG2-CB 4.35Å; V905-I975 HydrophobicContact CG2-CG2 4.19Å; A971-I975 WeakPolarHBondContact O-CB 3.33Å; A971-I975 VanDerWaalsContact O-CG1 3.32Å; A971-I975 WeakPolarHBondContact O-CG1 3.36Å; A971-I975 PolarHBondContact O-N 3.44Å; V972-I975 PolarHBondContact O-N 3.15Å; L973-I975 VanDerWaalsContact C-N 3.33Å; L973-I975 PolarHBondContact O-N 3.09Å; I975-P978 WeakPolarHBondContact O-CD 3.29Å; I975-L1022 HydrophobicContact CD1-CD2 4.26Å; I975-L1022 HydrophobicContact CG1-CD2 4.07Å
976	S	94.6	Very high	91.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-87.6	-36.9	-173.9	-53.8	0	0	0	0	114.3	V972 L973 V979	V972-S976 VanDerWaalsContact O-CB 3.3Å; V972-S976 WeakPolarHBondContact O-CB 3.23Å; V972-S976 PolarHBondContact O-N 3.22Å; V972-S976 PolarHBondContact O-OG 3.32Å; L973-S976 PolarHBondContact O-N 2.99Å; S976-V979 VanDerWaalsContact O-CG1 3.27Å; S976-V979 WeakPolarHBondContact O-CG1 3.48Å; S976-V979 PolarHBondContact O-N 3.37Å
977	I	92.6	Very high	91.4	Very high	39 Å²	39	23.4 Å²	23.4	20%	0.2	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-39.2	-176.3	-74.1	166.9	0	0	0	115	F912 L973 V979 L980 Y1013	F912-I977 HydrophobicContact CE2-CG1 3.92Å; F912-I977 HydrophobicContact CZ-CG1 4.27Å; L973-I977 HydrophobicContact CD2-CD1 3.73Å; L973-I977 HydrophobicContact CG-CD1 3.79Å; L973-I977 HydrophobicContact CG-CG1 4.34Å; L973-I977 WeakPolarHBondContact O-CG1 3.35Å; L973-I977 PolarHBondContact O-N 2.93Å; I977-V979 PolarHBondContact O-N 2.98Å; I977-L980 WeakPolarHBondContact O-CB 3.17Å; I977-L980 PolarHBondContact O-N 3.3Å; I977-Y1013 HydrophobicContact CB-CD2 4.33Å; I977-Y1013 HydrophobicContact CB-CE2 4.19Å; I977-Y1013 HydrophobicContact CG2-CD2 3.78Å; I977-Y1013 HydrophobicContact CG2-CE2 4.14Å
978	P	92.8	Very high	91.2	Very high	6 Å²	6	20.9 Å²	20.9	4%	0.039	10%	0.103	C	C	.	.	H	α-helix	trans	-58.2	-20.9	-176.3	-26.9	35	0	0	0	115	Y845 K974 I975 L980 L981 L982 W1010 Y1013	Y845-P978 HydrophobicContact CE2-CB 4.32Å; Y845-P978 VanDerWaalsContact OH-CB 3.31Å; Y845-P978 WeakPolarHBondContact OH-CB 3.44Å; Y845-P978 VanDerWaalsContact OH-CG 3.3Å; Y845-P978 WeakPolarHBondContact OH-CG 3.2Å; K974-P978 WeakPolarHBondContact O-CD 3.43Å; I975-P978 WeakPolarHBondContact O-CD 3.29Å; P978-L980 VanDerWaalsContact C-N 3.27Å; P978-L980 PolarHBondContact O-N 3.45Å; P978-L981 WeakPolarHBondContact O-CB 3.43Å; P978-L981 PolarHBondContact O-N 2.69Å; P978-L981 VanDerWaalsContact O-N 3.08Å; P978-L982 WeakPolarHBondContact O-CB 3.42Å; P978-L982 PolarHBondContact O-N 3.48Å; P978-W1010 HydrophobicContact CB-CH2 4.19Å; P978-Y1013 HydrophobicContact CG-CE1 3.74Å; P978-Y1013 HydrophobicContact CG-CE2 3.84Å; P978-Y1013 WeakPolarHBondContact CG-OH 3.34Å
979	V	92.3	Very high	90.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.3	-35.8	176.1	78	0	0	0	0	112.2	I842 Y845 I909 F912 N916 S976 I977 L981 D983	I842-V979 HydrophobicContact CG2-CG2 3.93Å; Y845-V979 HydrophobicContact CD1-CB 4.29Å; Y845-V979 HydrophobicContact CD1-CG2 4.4Å; Y845-V979 HydrophobicContact CE1-CB 4.12Å; I909-V979 HydrophobicContact CG2-CB 4.21Å; I909-V979 HydrophobicContact CG2-CG1 4.17Å; I909-V979 HydrophobicContact CG2-CG2 4.03Å; F912-V979 HydrophobicContact CB-CG1 3.55Å; F912-V979 HydrophobicContact CD2-CG1 4.19Å; F912-V979 HydrophobicContact CG-CG1 4.38Å; N916-V979 PolarHBondContact ND2-O 2.65Å; S976-V979 VanDerWaalsContact O-CG1 3.27Å; S976-V979 WeakPolarHBondContact O-CG1 3.48Å; S976-V979 PolarHBondContact O-N 3.37Å; I977-V979 PolarHBondContact O-N 2.98Å; V979-L981 VanDerWaalsContact C-N 3.3Å; V979-L981 PolarHBondContact O-N 2.96Å; V979-D983 PolarHBondContact O-N 3.28Å; V979-D983 VanDerWaalsContact O-N 3.13Å
980	L	90.8	Very high	90.3	Very high	31 Å²	31	21.9 Å²	21.9	16%	0.162	11%	0.112	C	C	.	.	H	α-helix	trans	-62.4	-41.4	174	-67.9	173.8	0	0	0	110.8	F912 L924 I977 P978 E984	F912-L980 HydrophobicContact CB-CD1 4.32Å; F912-L980 HydrophobicContact CB-CD2 3.68Å; F912-L980 HydrophobicContact CB-CG 3.78Å; F912-L980 HydrophobicContact CD1-CD1 3.86Å; F912-L980 HydrophobicContact CD1-CD2 4.37Å; F912-L980 HydrophobicContact CD1-CG 4.28Å; F912-L980 HydrophobicContact CD2-CD1 4.27Å; F912-L980 HydrophobicContact CD2-CG 4.32Å; F912-L980 HydrophobicContact CE1-CD1 4.21Å; F912-L980 HydrophobicContact CG-CD1 3.89Å; F912-L980 HydrophobicContact CG-CD2 4.15Å; F912-L980 HydrophobicContact CG-CG 3.88Å; F912-L980 WeakPolarHBondContact O-CD2 3.36Å; L924-L980 HydrophobicContact CD1-CD2 4.06Å; I977-L980 WeakPolarHBondContact O-CB 3.17Å; I977-L980 PolarHBondContact O-N 3.3Å; P978-L980 VanDerWaalsContact C-N 3.27Å; P978-L980 PolarHBondContact O-N 3.45Å; L980-E984 VanDerWaalsContact O-CB 3.23Å; L980-E984 WeakPolarHBondContact O-CB 3.15Å; L980-E984 PolarHBondContact O-N 3.15Å
981	L	90.3	Very high	89.8	Confident	8 Å²	8	18.1 Å²	18.1	4%	0.042	9%	0.094	C	C	.	.	H	α-helix	trans	-74	-41.8	-176.4	-52	-175.2	0	0	0	111.9	P978 V979 E984 T985 M1009 W1010 Y1013	P978-L981 WeakPolarHBondContact O-CB 3.43Å; P978-L981 PolarHBondContact O-N 2.69Å; P978-L981 VanDerWaalsContact O-N 3.08Å; V979-L981 VanDerWaalsContact C-N 3.3Å; V979-L981 PolarHBondContact O-N 2.96Å; L981-E984 PolarHBondContact O-N 2.92Å; L981-T985 WeakPolarHBondContact O-CB 3.33Å; L981-T985 PolarHBondContact O-N 3.3Å; L981-T985 PolarHBondContact O-OG1 3.35Å; L981-M1009 HydrophobicContact CD2-CB 3.47Å; L981-M1009 VanDerWaalsContact CD2-CB 3.47Å; L981-M1009 HydrophobicContact CD2-CE 3.63Å; L981-M1009 HydrophobicContact CD2-CG 4.4Å; L981-M1009 HydrophobicContact CD2-SD 4.31Å; L981-W1010 HydrophobicContact CB-CD2 4.09Å; L981-W1010 HydrophobicContact CB-CH2 4.28Å; L981-W1010 HydrophobicContact CB-CZ2 3.71Å; L981-W1010 HydrophobicContact CD1-CD2 3.96Å; L981-W1010 HydrophobicContact CD1-CE3 3.92Å; L981-W1010 HydrophobicContact CD1-CG 4.43Å; L981-W1010 HydrophobicContact CD1-CZ3 4.24Å; L981-Y1013 HydrophobicContact CD1-CD1 4.24Å; L981-Y1013 HydrophobicContact CD1-CG 3.86Å
982	L	90.6	Very high	89.2	Confident	50 Å²	50	19.1 Å²	19.1	26%	0.262	10%	0.101	S	C	.	.	H	α-helix	trans	-57.3	-52.9	175.5	-96.4	154.5	0	0	0	110.6	Y845 P978 T985 Q986 W1010	Y845-L982 HydrophobicContact CD1-CD1 4.28Å; Y845-L982 HydrophobicContact CD2-CD1 3.68Å; Y845-L982 HydrophobicContact CE2-CD1 4.05Å; Y845-L982 HydrophobicContact CG-CD1 3.8Å; P978-L982 WeakPolarHBondContact O-CB 3.42Å; P978-L982 PolarHBondContact O-N 3.48Å; L982-T985 WeakPolarHBondContact O-CB 3.32Å; L982-T985 PolarHBondContact O-N 3.49Å; L982-Q986 WeakPolarHBondContact O-CG 3.44Å; L982-Q986 PolarHBondContact O-N 3.24Å; L982-W1010 HydrophobicContact CG-CZ2 4.21Å
983	D	89.4	Confident	88.3	Confident	2 Å²	2	24 Å²	24	1%	0.011	14%	0.135	C	C	.	.	H	α-helix	trans	-67.6	-40.2	-178.6	-169.4	63.7	0	0	0	112.1	R838 I842 N916 V979 T985 Q986 K987	R838-D983 IonicContact CZ-OD1 2.74Å; R838-D983 IonicContact CZ-OD2 3.13Å; R838-D983 IonicContact NE-OD1 3.58Å; R838-D983 PolarHBondContact NE-OD1 2.82Å; R838-D983 IonicContact NH2-OD1 3.59Å; R838-D983 PolarHBondContact NH2-OD1 3.37Å; R838-D983 IonicContact NH2-OD2 2.69Å; R838-D983 PolarHBondContact NH2-OD2 3.33Å; I842-D983 HydrophobicContact CD1-CB 4.16Å; I842-D983 WeakPolarHBondContact CD1-OD1 3.35Å; N916-D983 HydrophobicContact CB-CB 4.17Å; N916-D983 WeakPolarHBondContact CB-OD2 3.26Å; N916-D983 VanDerWaalsContact ND2-CB 3.26Å; N916-D983 WeakPolarHBondContact ND2-CB 3.5Å; V979-D983 PolarHBondContact O-N 3.28Å; V979-D983 VanDerWaalsContact O-N 3.13Å; D983-T985 VanDerWaalsContact C-N 3.27Å; D983-T985 PolarHBondContact O-N 3.36Å; D983-Q986 WeakPolarHBondContact O-CB 3.38Å; D983-Q986 PolarHBondContact O-N 3.28Å; D983-Q986 VanDerWaalsContact O-N 3.12Å; D983-K987 WeakPolarHBondContact O-CG 3.23Å; D983-K987 PolarHBondContact O-N 3.42Å; D983-K987 WeakPolarHBondContact OD2-CE 3.35Å; D983-K987 IonicContact OD2-NZ 2.81Å; D983-K987 PolarHBondContact OD2-NZ 3.42Å
984	E	89.4	Confident	87.2	Confident	2 Å²	2	27.5 Å²	27.5	1%	0.009	15%	0.15	C	C	.	.	H	α-helix	trans	-64.2	-34.6	177.4	-167.5	56.8	-132.3	0	0	111.9	S923 L924 L980 L981 A988 R991 P1006 M1009	S923-E984 WeakPolarHBondContact CA-OE1 3.39Å; S923-E984 WeakPolarHBondContact CA-OE2 3.37Å; S923-E984 WeakPolarHBondContact CB-OE1 3.08Å; S923-E984 PolarHBondContact OG-OE1 2.83Å; S923-E984 PolarHBondContact OG-OE2 3.49Å; L924-E984 PolarHBondContact N-OE2 3.33Å; L924-E984 VanDerWaalsContact N-OE2 3.1Å; L980-E984 VanDerWaalsContact O-CB 3.23Å; L980-E984 WeakPolarHBondContact O-CB 3.15Å; L980-E984 PolarHBondContact O-N 3.15Å; L981-E984 PolarHBondContact O-N 2.92Å; E984-A988 WeakPolarHBondContact O-CB 3.32Å; E984-A988 PolarHBondContact O-N 2.75Å; E984-R991 IonicContact OE1-CZ 2.78Å; E984-R991 IonicContact OE1-NH1 3.33Å; E984-R991 IonicContact OE1-NH2 3.42Å; E984-R991 PolarHBondContact OE1-NH2 3.02Å; E984-P1006 HydrophobicContact CG-CG 4.44Å; E984-M1009 HydrophobicContact CG-SD 4.3Å
985	T	89.7	Confident	85.7	Confident	32 Å²	32	34.3 Å²	34.3	20%	0.196	18%	0.175	C	C	.	.	H	α-helix	trans	-65.1	-45.6	171.7	-52.3	0	0	0	0	110.9	L981 L982 D983 K987 A988 I989 M1003 W1010	L981-T985 WeakPolarHBondContact O-CB 3.33Å; L981-T985 PolarHBondContact O-N 3.3Å; L981-T985 PolarHBondContact O-OG1 3.35Å; L982-T985 WeakPolarHBondContact O-CB 3.32Å; L982-T985 PolarHBondContact O-N 3.49Å; D983-T985 VanDerWaalsContact C-N 3.27Å; D983-T985 PolarHBondContact O-N 3.36Å; T985-K987 PolarHBondContact O-N 3.06Å; T985-A988 WeakPolarHBondContact O-CB 3.34Å; T985-A988 PolarHBondContact O-N 3.4Å; T985-I989 HydrophobicContact CG2-CD1 4.42Å; T985-I989 WeakPolarHBondContact O-CG1 3.15Å; T985-I989 PolarHBondContact O-N 3.23Å; T985-M1003 HydrophobicContact CG2-CE 4.45Å; T985-M1003 HydrophobicContact CG2-SD 4.32Å; T985-W1010 PolarHBondContact OG1-NE1 3.37Å; T985-W1010 VanDerWaalsContact OG1-NE1 3.16Å
986	Q	89	Confident	84	Confident	15 Å²	15	36.9 Å²	36.9	7%	0.07	21%	0.207	C	C	.	.	H	α-helix	trans	-61.9	-43.5	177.1	-71.2	173.2	-22.5	0	0	111.9	R838 L982 D983 A988 I989 V990	R838-Q986 HydrophobicContact CG-CB 4.17Å; R838-Q986 HydrophobicContact CG-CG 4.4Å; L982-Q986 WeakPolarHBondContact O-CG 3.44Å; L982-Q986 PolarHBondContact O-N 3.24Å; D983-Q986 WeakPolarHBondContact O-CB 3.38Å; D983-Q986 PolarHBondContact O-N 3.28Å; D983-Q986 VanDerWaalsContact O-N 3.12Å; Q986-A988 VanDerWaalsContact C-N 3.34Å; Q986-A988 PolarHBondContact O-N 3.08Å; Q986-I989 WeakPolarHBondContact O-CB 3.43Å; Q986-I989 PolarHBondContact O-N 2.94Å; Q986-V990 WeakPolarHBondContact O-CG2 3.07Å; Q986-V990 PolarHBondContact O-N 3.03Å; Q986-V990 VanDerWaalsContact O-N 3.15Å
987	K	86.8	Confident	82.3	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.009	23%	0.232	C	C	.	.	H	α-helix	trans	-60.2	-42.7	174	-72	174.3	167.7	174.5	0	111.9	N916 S919 Q922 D983 T985 I989 V990 R991	N916-K987 PolarHBondContact O-NZ 2.89Å; S919-K987 WeakPolarHBondContact O-CE 3.41Å; S919-K987 PolarHBondContact O-NZ 3.09Å; Q922-K987 WeakPolarHBondContact O-CD 3.18Å; Q922-K987 PolarHBondContact O-NZ 3.22Å; D983-K987 WeakPolarHBondContact O-CG 3.23Å; D983-K987 PolarHBondContact O-N 3.42Å; D983-K987 WeakPolarHBondContact OD2-CE 3.35Å; D983-K987 IonicContact OD2-NZ 2.81Å; D983-K987 PolarHBondContact OD2-NZ 3.42Å; T985-K987 PolarHBondContact O-N 3.06Å; K987-I989 VanDerWaalsContact C-N 3.33Å; K987-I989 PolarHBondContact O-N 3.02Å; K987-V990 PolarHBondContact O-N 3.15Å; K987-R991 WeakPolarHBondContact O-CG 3.39Å; K987-R991 PolarHBondContact O-N 2.91Å
988	A	85.5	Confident	80.8	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.9	-40.8	176.8	0	0	0	0	0	112.5	E984 T985 Q986 R991 S992 H1002 M1003 P1006	E984-A988 WeakPolarHBondContact O-CB 3.32Å; E984-A988 PolarHBondContact O-N 2.75Å; T985-A988 WeakPolarHBondContact O-CB 3.34Å; T985-A988 PolarHBondContact O-N 3.4Å; Q986-A988 VanDerWaalsContact C-N 3.34Å; Q986-A988 PolarHBondContact O-N 3.08Å; A988-R991 PolarHBondContact O-N 3.31Å; A988-S992 PolarHBondContact O-N 2.92Å; A988-H1002 HydrophobicContact CB-CB 4.34Å; A988-H1002 VanDerWaalsContact CB-O 3.29Å; A988-H1002 WeakPolarHBondContact CB-O 3.27Å; A988-M1003 HydrophobicContact CB-SD 3.98Å; A988-P1006 HydrophobicContact CB-CG 3.75Å
989	I	84.9	Confident	79.5	Confident	63 Å²	63	47.1 Å²	47.1	32%	0.323	27%	0.268	S	S	.	.	H	α-helix	trans	-59.1	-49.6	175.2	-67.5	164.9	0	0	0	110.4	W834 T985 Q986 K987 R991 S992 S993 M1003	W834-I989 HydrophobicContact CH2-CG2 4.49Å; W834-I989 HydrophobicContact CZ2-CG2 4.34Å; T985-I989 HydrophobicContact CG2-CD1 4.42Å; T985-I989 WeakPolarHBondContact O-CG1 3.15Å; T985-I989 PolarHBondContact O-N 3.23Å; Q986-I989 WeakPolarHBondContact O-CB 3.43Å; Q986-I989 PolarHBondContact O-N 2.94Å; K987-I989 VanDerWaalsContact C-N 3.33Å; K987-I989 PolarHBondContact O-N 3.02Å; I989-R991 PolarHBondContact O-N 3.22Å; I989-S992 PolarHBondContact O-N 2.85Å; I989-S992 PolarHBondContact O-OG 3.08Å; I989-S993 PolarHBondContact O-N 3.34Å; I989-S993 VanDerWaalsContact O-N 3.09Å; I989-M1003 HydrophobicContact CD1-CE 3.99Å; I989-M1003 HydrophobicContact CG1-CE 3.33Å; I989-M1003 HydrophobicContact CG1-SD 4.25Å
990	V	82.5	Confident	78.3	Confident	12 Å²	12	53.6 Å²	53.6	7%	0.073	30%	0.302	C	S	.	.	H	α-helix	trans	-60.5	-46.6	179.9	177.3	0	0	0	0	111.4	W834 Q986 K987 S992 S993 Q994	W834-V990 HydrophobicContact CZ2-CG2 4.21Å; Q986-V990 WeakPolarHBondContact O-CG2 3.07Å; Q986-V990 PolarHBondContact O-N 3.03Å; Q986-V990 VanDerWaalsContact O-N 3.15Å; K987-V990 PolarHBondContact O-N 3.15Å; V990-S992 VanDerWaalsContact C-N 3.29Å; V990-S992 PolarHBondContact O-N 3.1Å; V990-S993 PolarHBondContact O-N 2.87Å; V990-Q994 HydrophobicContact CG1-CG 4.35Å; V990-Q994 PolarHBondContact O-N 3.1Å
991	R	80.1	Confident	77.4	Confident	24 Å²	24	60 Å²	60	9%	0.091	33%	0.325	C	S	.	.	H	α-helix	trans	-59.8	-40	178.2	-71.4	-174.1	-63.8	-110.8	8.3	112	N921 S923 E984 K987 A988 I989 R995	N921-R991 VanDerWaalsContact O-CD 3.3Å; N921-R991 WeakPolarHBondContact O-CD 3.32Å; N921-R991 PolarHBondContact O-NH1 3.3Å; S923-R991 VanDerWaalsContact CA-NH1 3.34Å; E984-R991 IonicContact OE1-CZ 2.78Å; E984-R991 IonicContact OE1-NH1 3.33Å; E984-R991 IonicContact OE1-NH2 3.42Å; E984-R991 PolarHBondContact OE1-NH2 3.02Å; K987-R991 WeakPolarHBondContact O-CG 3.39Å; K987-R991 PolarHBondContact O-N 2.91Å; A988-R991 PolarHBondContact O-N 3.31Å; I989-R991 PolarHBondContact O-N 3.22Å; R991-R995 WeakPolarHBondContact O-CB 3.36Å; R991-R995 PolarHBondContact O-N 3Å; R991-R995 VanDerWaalsContact O-N 3.12Å
992	S	79	Confident	76.5	Confident	23 Å²	23	60.8 Å²	60.8	16%	0.161	33%	0.328	C	S	.	.	H	α-helix	trans	-64.7	-40.2	177.5	81.1	0	0	0	0	112.4	A988 I989 V990	A988-S992 PolarHBondContact O-N 2.92Å; I989-S992 PolarHBondContact O-N 2.85Å; I989-S992 PolarHBondContact O-OG 3.08Å; V990-S992 VanDerWaalsContact C-N 3.29Å; V990-S992 PolarHBondContact O-N 3.1Å
993	S	76.5	Confident	75.9	Confident	101 Å²	101	60.7 Å²	60.7	71%	0.706	33%	0.327	S	S	*	.	H	α-helix	trans	-69.5	-40	-179.8	-174	0	0	0	0	112	I989 V990	I989-S993 PolarHBondContact O-N 3.34Å; I989-S993 VanDerWaalsContact O-N 3.09Å; V990-S993 PolarHBondContact O-N 2.87Å
994	Q	69.4	Low	75.3	Confident	137 Å²	137	63 Å²	63	64%	0.64	35%	0.346	S	S	*	.	H	α-helix	trans	-79.8	-32	-176.5	-71.7	-176.7	-10.4	0	0	114.6	V990	V990-Q994 HydrophobicContact CG1-CG 4.35Å; V990-Q994 PolarHBondContact O-N 3.1Å
995	R	60.6	Low	74.8	Confident	151 Å²	151	66.6 Å²	66.6	57%	0.57	37%	0.365	S	S	*	.	H	α-helix	trans	-99.9	1	-171.3	-72.5	-172.2	172.9	178.4	-2.4	115.1	R991 H997	R991-R995 WeakPolarHBondContact O-CB 3.36Å; R991-R995 PolarHBondContact O-N 3Å; R991-R995 VanDerWaalsContact O-N 3.12Å; R995-H997 PolarHBondContact O-N 3.37Å; R995-H997 PolarHBondContact O-ND1 3.35Å
996	G	57.5	Low	74.3	Confident	76 Å²	76	65.1 Å²	65.1	78%	0.784	36%	0.356	S	S	*	.			trans	60.9	11.9	179.8	0	0	0	0	0	114.8
997	H	59.1	Low	74	Confident	112 Å²	112	70.2 Å²	70.2	52%	0.519	38%	0.381	S	S	.	.			trans	-85.7	151.5	175.8	-75.2	54.4	0	0	0	109.7	R995	R995-H997 PolarHBondContact O-N 3.37Å; R995-H997 PolarHBondContact O-ND1 3.35Å
998	S	61.5	Low	73.8	Confident	71 Å²	71	74.5 Å²	74.5	50%	0.497	41%	0.407	S	S	.	.			trans	-55.8	132.8	-179	65	0	0	0	0	111.1	L1000 Y1001	S998-L1000 PolarHBondContact O-N 3.11Å; S998-L1000 VanDerWaalsContact O-N 3.08Å; S998-Y1001 PolarHBondContact O-N 3.37Å
999	P	65	Low	73.7	Confident	77 Å²	77	77.7 Å²	77.7	50%	0.5	42%	0.423	S	S	.	.	H	α-helix	trans	-57.1	-30.2	-177.2	19.4	-30.7	0	0	0	113	Y1001 H1002 M1003	P999-Y1001 VanDerWaalsContact C-N 3.3Å; P999-Y1001 PolarHBondContact O-N 3.16Å; P999-H1002 PolarHBondContact O-N 3.38Å; P999-M1003 WeakPolarHBondContact O-CB 3.36Å; P999-M1003 WeakPolarHBondContact O-CG 3.35Å; P999-M1003 PolarHBondContact O-N 2.91Å
1000	L	67.7	Low	73.8	Confident	136 Å²	136	78.8 Å²	78.8	71%	0.712	42%	0.423	S	S	*	.	H	α-helix	trans	-54.9	-39.8	175.7	-86.1	154.9	0	0	0	113.8	S998 H1002 M1003 A1004	S998-L1000 PolarHBondContact O-N 3.11Å; S998-L1000 VanDerWaalsContact O-N 3.08Å; L1000-H1002 PolarHBondContact O-N 2.99Å; L1000-M1003 PolarHBondContact O-N 3.22Å; L1000-A1004 PolarHBondContact O-N 3.36Å; L1000-A1004 VanDerWaalsContact O-N 3.13Å
1001	Y	71.1	Confident	73.8	Confident	167 Å²	167	82.4 Å²	82.4	66%	0.655	45%	0.448	S	S	*	.	H	α-helix	trans	-65.7	-40.6	-178.2	-178.1	-99.9	0	0	0	111.8	S998 P999	S998-Y1001 PolarHBondContact O-N 3.37Å; P999-Y1001 VanDerWaalsContact C-N 3.3Å; P999-Y1001 PolarHBondContact O-N 3.16Å
1002	H	70.7	Confident	73.9	Confident	23 Å²	23	85.9 Å²	85.9	11%	0.106	47%	0.472	C	S	.	.	H	α-helix	trans	-81.6	-26.5	180	-67.4	-58.2	0	0	0	113	A988 P999 L1000 P1006	A988-H1002 HydrophobicContact CB-CB 4.34Å; A988-H1002 VanDerWaalsContact CB-O 3.29Å; A988-H1002 WeakPolarHBondContact CB-O 3.27Å; P999-H1002 PolarHBondContact O-N 3.38Å; L1000-H1002 PolarHBondContact O-N 2.99Å; H1002-P1006 WeakPolarHBondContact O-CD 3.49Å
1003	M	78.4	Confident	74.2	Confident	49 Å²	49	86 Å²	86	24%	0.241	47%	0.469	C	S	.	.	H	α-helix	trans	-84.3	-16.7	-179.1	-70.8	-65.7	-139.5	0	0	114.6	T985 A988 I989 P999 L1000 I1005 P1006 M1007	T985-M1003 HydrophobicContact CG2-CE 4.45Å; T985-M1003 HydrophobicContact CG2-SD 4.32Å; A988-M1003 HydrophobicContact CB-SD 3.98Å; I989-M1003 HydrophobicContact CD1-CE 3.99Å; I989-M1003 HydrophobicContact CG1-CE 3.33Å; I989-M1003 HydrophobicContact CG1-SD 4.25Å; P999-M1003 WeakPolarHBondContact O-CB 3.36Å; P999-M1003 WeakPolarHBondContact O-CG 3.35Å; P999-M1003 PolarHBondContact O-N 2.91Å; L1000-M1003 PolarHBondContact O-N 3.22Å; M1003-I1005 VanDerWaalsContact C-N 3.35Å; M1003-I1005 PolarHBondContact O-N 3.44Å; M1003-P1006 WeakPolarHBondContact O-CD 3.45Å; M1003-M1007 WeakPolarHBondContact O-CB 3.3Å; M1003-M1007 WeakPolarHBondContact O-CG 3.49Å; M1003-M1007 PolarHBondContact O-N 3.06Å
1004	A	77.6	Confident	74.4	Confident	50 Å²	50	84.5 Å²	84.5	41%	0.413	46%	0.458	S	S	.	.	H	α-helix	trans	-58	-43.5	-178	0	0	0	0	0	113.1	L1000 M1007 V1008	L1000-A1004 PolarHBondContact O-N 3.36Å; L1000-A1004 VanDerWaalsContact O-N 3.13Å; A1004-M1007 PolarHBondContact O-N 3.06Å; A1004-V1008 WeakPolarHBondContact O-CG2 3.25Å; A1004-V1008 PolarHBondContact O-N 3.24Å; A1004-V1008 VanDerWaalsContact O-N 3.1Å
1005	I	77.8	Confident	74.9	Confident	77 Å²	77	80.3 Å²	80.3	40%	0.395	45%	0.447	S	S	.	.	H	α-helix	trans	-65.4	-53.6	179.9	-65.8	171.8	0	0	0	111.1	V925 M1003 M1007 V1008 M1009	V925-I1005 HydrophobicContact CG2-CG2 4.03Å; M1003-I1005 VanDerWaalsContact C-N 3.35Å; M1003-I1005 PolarHBondContact O-N 3.44Å; I1005-M1007 VanDerWaalsContact C-N 3.28Å; I1005-M1007 PolarHBondContact O-N 3.07Å; I1005-V1008 PolarHBondContact O-N 2.93Å; I1005-M1009 HydrophobicContact CG2-SD 4.08Å; I1005-M1009 WeakPolarHBondContact O-CG 3.37Å; I1005-M1009 PolarHBondContact O-N 3.16Å
1006	P	79	Confident	75.8	Confident	2 Å²	2	76.6 Å²	76.6	1%	0.013	44%	0.435	C	S	.	.	H	α-helix	trans	-53.2	-42.8	173.8	-26.1	29.2	0	0	0	113.6	E984 A988 H1002 M1003 V1008 M1009 W1010	E984-P1006 HydrophobicContact CG-CG 4.44Å; A988-P1006 HydrophobicContact CB-CG 3.75Å; H1002-P1006 WeakPolarHBondContact O-CD 3.49Å; M1003-P1006 WeakPolarHBondContact O-CD 3.45Å; P1006-V1008 PolarHBondContact O-N 3.01Å; P1006-M1009 PolarHBondContact O-N 3.07Å; P1006-W1010 PolarHBondContact O-N 3.13Å
1007	M	83.1	Confident	76.8	Confident	122 Å²	122	75.2 Å²	75.2	60%	0.601	41%	0.409	S	S	*	.	H	α-helix	trans	-59.4	-45.9	178.5	-81.9	-175.4	164.1	0	0	112.4	M1003 A1004 I1005 M1009 W1010 C1011	M1003-M1007 WeakPolarHBondContact O-CB 3.3Å; M1003-M1007 WeakPolarHBondContact O-CG 3.49Å; M1003-M1007 PolarHBondContact O-N 3.06Å; A1004-M1007 PolarHBondContact O-N 3.06Å; I1005-M1007 VanDerWaalsContact C-N 3.28Å; I1005-M1007 PolarHBondContact O-N 3.07Å; M1007-M1009 VanDerWaalsContact C-N 3.33Å; M1007-M1009 PolarHBondContact O-N 3.29Å; M1007-W1010 PolarHBondContact O-N 3.34Å; M1007-C1011 PolarHBondContact O-N 3.13Å; M1007-C1011 PolarHBondContact O-SG 2.99Å; M1007-C1011 VanDerWaalsContact O-SG 3.33Å
1008	V	83.2	Confident	77.6	Confident	92 Å²	92	73.8 Å²	73.8	56%	0.558	42%	0.417	S	S	*	.	H	α-helix	trans	-62.2	-43	177.1	172.4	0	0	0	0	110.8	A1004 I1005 P1006 W1010 C1011 V1012	A1004-V1008 WeakPolarHBondContact O-CG2 3.25Å; A1004-V1008 PolarHBondContact O-N 3.24Å; A1004-V1008 VanDerWaalsContact O-N 3.1Å; I1005-V1008 PolarHBondContact O-N 2.93Å; P1006-V1008 PolarHBondContact O-N 3.01Å; V1008-W1010 VanDerWaalsContact C-N 3.35Å; V1008-W1010 PolarHBondContact O-N 2.99Å; V1008-C1011 WeakPolarHBondContact O-CB 3.4Å; V1008-C1011 PolarHBondContact O-N 2.84Å; V1008-V1012 WeakPolarHBondContact O-CG2 3.26Å; V1008-V1012 PolarHBondContact O-N 2.94Å
1009	M	82.5	Confident	78.1	Confident	66 Å²	66	79.6 Å²	79.6	33%	0.325	43%	0.434	S	S	.	.	H	α-helix	trans	-64	-39.8	179.1	-62	175.7	75.5	0	0	112.1	L981 E984 I1005 P1006 M1007 V1012 Y1013	L981-M1009 HydrophobicContact CD2-CB 3.47Å; L981-M1009 VanDerWaalsContact CD2-CB 3.47Å; L981-M1009 HydrophobicContact CD2-CE 3.63Å; L981-M1009 HydrophobicContact CD2-CG 4.4Å; L981-M1009 HydrophobicContact CD2-SD 4.31Å; E984-M1009 HydrophobicContact CG-SD 4.3Å; I1005-M1009 HydrophobicContact CG2-SD 4.08Å; I1005-M1009 WeakPolarHBondContact O-CG 3.37Å; I1005-M1009 PolarHBondContact O-N 3.16Å; P1006-M1009 PolarHBondContact O-N 3.07Å; M1007-M1009 VanDerWaalsContact C-N 3.33Å; M1007-M1009 PolarHBondContact O-N 3.29Å; M1009-V1012 PolarHBondContact O-N 3.19Å; M1009-Y1013 PolarHBondContact O-N 2.04Å
1010	W	87.2	Confident	78.1	Confident	86 Å²	86	80.5 Å²	80.5	33%	0.326	44%	0.435	S	S	.	.	H	α-helix	trans	-61.6	-43.8	172.1	-83.4	109.5	0	0	0	112.3	P978 L981 L982 T985 P1006 M1007 V1008 V1012 Y1013 S1014	P978-W1010 HydrophobicContact CB-CH2 4.19Å; L981-W1010 HydrophobicContact CB-CD2 4.09Å; L981-W1010 HydrophobicContact CB-CH2 4.28Å; L981-W1010 HydrophobicContact CB-CZ2 3.71Å; L981-W1010 HydrophobicContact CD1-CD2 3.96Å; L981-W1010 HydrophobicContact CD1-CE3 3.92Å; L981-W1010 HydrophobicContact CD1-CG 4.43Å; L981-W1010 HydrophobicContact CD1-CZ3 4.24Å; L982-W1010 HydrophobicContact CG-CZ2 4.21Å; T985-W1010 PolarHBondContact OG1-NE1 3.37Å; T985-W1010 VanDerWaalsContact OG1-NE1 3.16Å; P1006-W1010 PolarHBondContact O-N 3.13Å; M1007-W1010 PolarHBondContact O-N 3.34Å; V1008-W1010 VanDerWaalsContact C-N 3.35Å; V1008-W1010 PolarHBondContact O-N 2.99Å; W1010-V1012 VanDerWaalsContact C-N 3.33Å; W1010-V1012 PolarHBondContact O-N 3.15Å; W1010-Y1013 HydrophobicContact CE3-CD1 4.21Å; W1010-Y1013 HydrophobicContact CZ3-CD1 4.15Å; W1010-Y1013 HydrophobicContact CZ3-CE1 4.43Å; W1010-Y1013 PolarHBondContact O-N 3.41Å; W1010-S1014 PolarHBondContact O-N 3.26Å; W1010-S1014 PolarHBondContact O-OG 3.25Å; W1010-S1014 VanDerWaalsContact O-OG 3.12Å
1011	C	82.9	Confident	78.1	Confident	88 Å²	88	78.8 Å²	78.8	60%	0.595	43%	0.431	S	S	*	.	H	α-helix	trans	-60	-41.8	175.8	-69.6	0	0	0	0	112.5	M1007 V1008 S1014 A1015	M1007-C1011 PolarHBondContact O-N 3.13Å; M1007-C1011 PolarHBondContact O-SG 2.99Å; M1007-C1011 VanDerWaalsContact O-SG 3.33Å; V1008-C1011 WeakPolarHBondContact O-CB 3.4Å; V1008-C1011 PolarHBondContact O-N 2.84Å; C1011-S1014 PolarHBondContact O-N 3.1Å; C1011-A1015 WeakPolarHBondContact O-CB 3.05Å; C1011-A1015 PolarHBondContact O-N 3.26Å
1012	V	82.9	Confident	77.7	Confident	97 Å²	97	75.4 Å²	75.4	59%	0.588	42%	0.424	S	S	*	.	H	α-helix	trans	-64.3	-42.8	177	172.8	0	0	0	0	111.1	V1008 M1009 W1010 A1015 F1016	V1008-V1012 WeakPolarHBondContact O-CG2 3.26Å; V1008-V1012 PolarHBondContact O-N 2.94Å; M1009-V1012 PolarHBondContact O-N 3.19Å; W1010-V1012 VanDerWaalsContact C-N 3.33Å; W1010-V1012 PolarHBondContact O-N 3.15Å; V1012-A1015 PolarHBondContact O-N 3.16Å; V1012-F1016 PolarHBondContact O-N 3.41Å
1013	Y	84	Confident	78	Confident	27 Å²	27	78 Å²	78	11%	0.106	44%	0.44	C	S	.	.	H	α-helix	trans	-65.1	-42.1	176.3	175.2	-102.7	0	0	0	112.5	K974 I977 P978 L981 M1009 W1010 A1015 F1016 L1017	K974-Y1013 WeakPolarHBondContact O-CE2 3.16Å; K974-Y1013 PolarHBondContact O-OH 3.24Å; I977-Y1013 HydrophobicContact CB-CD2 4.33Å; I977-Y1013 HydrophobicContact CB-CE2 4.19Å; I977-Y1013 HydrophobicContact CG2-CD2 3.78Å; I977-Y1013 HydrophobicContact CG2-CE2 4.14Å; P978-Y1013 HydrophobicContact CG-CE1 3.74Å; P978-Y1013 HydrophobicContact CG-CE2 3.84Å; P978-Y1013 WeakPolarHBondContact CG-OH 3.34Å; L981-Y1013 HydrophobicContact CD1-CD1 4.24Å; L981-Y1013 HydrophobicContact CD1-CG 3.86Å; M1009-Y1013 PolarHBondContact O-N 2.04Å; W1010-Y1013 HydrophobicContact CE3-CD1 4.21Å; W1010-Y1013 HydrophobicContact CZ3-CD1 4.15Å; W1010-Y1013 HydrophobicContact CZ3-CE1 4.43Å; W1010-Y1013 PolarHBondContact O-N 3.41Å; Y1013-A1015 VanDerWaalsContact C-N 3.3Å; Y1013-A1015 PolarHBondContact O-N 3.06Å; Y1013-F1016 WeakPolarHBondContact O-CB 3.08Å; Y1013-F1016 PolarHBondContact O-N 3.47Å; Y1013-F1016 VanDerWaalsContact O-N 3.15Å; Y1013-L1017 HydrophobicContact CD1-CD1 4.01Å; Y1013-L1017 HydrophobicContact CE1-CD1 3.27Å; Y1013-L1017 HydrophobicContact CE1-CG 4.03Å; Y1013-L1017 HydrophobicContact CE2-CD1 4.37Å; Y1013-L1017 HydrophobicContact CE2-CG 4.28Å; Y1013-L1017 VanDerWaalsContact CZ-CD1 3.48Å; Y1013-L1017 PolarHBondContact O-N 3.23Å
1014	S	81.2	Confident	78	Confident	68 Å²	68	79.5 Å²	79.5	48%	0.476	45%	0.45	S	S	.	.	H	α-helix	trans	-61.4	-39.1	173.9	-61.3	0	0	0	0	112	W1010 C1011 L1017 A1018	W1010-S1014 PolarHBondContact O-N 3.26Å; W1010-S1014 PolarHBondContact O-OG 3.25Å; W1010-S1014 VanDerWaalsContact O-OG 3.12Å; C1011-S1014 PolarHBondContact O-N 3.1Å; S1014-L1017 PolarHBondContact O-N 3.22Å; S1014-A1018 WeakPolarHBondContact O-CB 3.44Å; S1014-A1018 PolarHBondContact O-N 3.05Å
1015	A	79.6	Confident	78	Confident	50 Å²	50	81.2 Å²	81.2	41%	0.413	45%	0.452	S	S	.	.	H	α-helix	trans	-65.1	-38.8	173.8	0	0	0	0	0	112.1	C1011 V1012 Y1013 A1018 F1019	C1011-A1015 WeakPolarHBondContact O-CB 3.05Å; C1011-A1015 PolarHBondContact O-N 3.26Å; V1012-A1015 PolarHBondContact O-N 3.16Å; Y1013-A1015 VanDerWaalsContact C-N 3.3Å; Y1013-A1015 PolarHBondContact O-N 3.06Å; A1015-A1018 PolarHBondContact O-N 2.94Å; A1015-F1019 PolarHBondContact O-N 3.47Å; A1015-F1019 VanDerWaalsContact O-N 3.07Å
1016	F	80.1	Confident	78	Confident	73 Å²	73	81.4 Å²	81.4	32%	0.32	46%	0.456	S	S	.	.	H	α-helix	trans	-63.2	-43.4	175.7	178.7	-110.6	0	0	0	112.4	L973 K974 V1012 Y1013 F1019	L973-F1016 HydrophobicContact CD2-CE1 4.43Å; L973-F1016 HydrophobicContact CD2-CZ 4.23Å; K974-F1016 HydrophobicContact CG-CD1 4.39Å; K974-F1016 HydrophobicContact CG-CE1 3.67Å; K974-F1016 HydrophobicContact CG-CZ 4.47Å; V1012-F1016 PolarHBondContact O-N 3.41Å; Y1013-F1016 WeakPolarHBondContact O-CB 3.08Å; Y1013-F1016 PolarHBondContact O-N 3.47Å; Y1013-F1016 VanDerWaalsContact O-N 3.15Å; F1016-F1019 PolarHBondContact O-N 2.98Å
1017	L	79	Confident	78	Confident	46 Å²	46	86.4 Å²	86.4	24%	0.241	48%	0.483	C	S	.	.	H	α-helix	trans	-64.1	-38.3	173	-78.4	173.1	0	0	0	112.5	K974 Y1013 S1014 F1019 N1020 L1022	K974-L1017 HydrophobicContact CB-CD2 4.33Å; K974-L1017 HydrophobicContact CD-CD2 4.23Å; K974-L1017 HydrophobicContact CG-CD2 4.29Å; Y1013-L1017 HydrophobicContact CD1-CD1 4.01Å; Y1013-L1017 HydrophobicContact CE1-CD1 3.27Å; Y1013-L1017 HydrophobicContact CE1-CG 4.03Å; Y1013-L1017 HydrophobicContact CE2-CD1 4.37Å; Y1013-L1017 HydrophobicContact CE2-CG 4.28Å; Y1013-L1017 VanDerWaalsContact CZ-CD1 3.48Å; Y1013-L1017 PolarHBondContact O-N 3.23Å; S1014-L1017 PolarHBondContact O-N 3.22Å; L1017-F1019 VanDerWaalsContact C-N 3.34Å; L1017-F1019 PolarHBondContact O-N 3.03Å; L1017-N1020 CarbonylContact O-C 3.4Å; L1017-N1020 PolarHBondContact O-N 3.25Å; L1017-L1022 HydrophobicContact CD2-CD1 4.28Å; L1017-L1022 HydrophobicContact CD2-CG 4.47Å
1018	A	74.4	Confident	77.6	Confident	82 Å²	82	84 Å²	84	68%	0.678	48%	0.476	S	S	*	.	H	α-helix	trans	-67.4	-33	179.9	0	0	0	0	0	112.9	S1014 A1015 N1020	S1014-A1018 WeakPolarHBondContact O-CB 3.44Å; S1014-A1018 PolarHBondContact O-N 3.05Å; A1015-A1018 PolarHBondContact O-N 2.94Å; A1018-N1020 VanDerWaalsContact C-N 3.33Å
1019	F	72.2	Confident	77.2	Confident	193 Å²	193	83.4 Å²	83.4	85%	0.846	47%	0.47	S	S	*	.	H	α-helix	trans	-73	-23.4	178.3	-104.8	-85.7	0	0	0	113.6	A1015 F1016 L1017	A1015-F1019 PolarHBondContact O-N 3.47Å; A1015-F1019 VanDerWaalsContact O-N 3.07Å; F1016-F1019 PolarHBondContact O-N 2.98Å; L1017-F1019 VanDerWaalsContact C-N 3.34Å; L1017-F1019 PolarHBondContact O-N 3.03Å
1020	N	65.5	Low	76.8	Confident	97 Å²	97	84.8 Å²	84.8	52%	0.519	48%	0.481	S	S	.	.	S	Bend	trans	-154.1	96.5	178.4	-156.6	-34.5	0	0	0	108.7	K974 L1017 A1018	K974-N1020 WeakPolarHBondContact CE-O 3.49Å; K974-N1020 PolarHBondContact NZ-O 3.33Å; L1017-N1020 CarbonylContact O-C 3.4Å; L1017-N1020 PolarHBondContact O-N 3.25Å; A1018-N1020 VanDerWaalsContact C-N 3.33Å
1021	P	67.1	Low	76	Confident	99 Å²	99	84.7 Å²	84.7	64%	0.643	49%	0.494	S	S	*	.			trans	-61.9	160.1	-179.3	21.9	-29.2	0	0	0	112	K974	K974-P1021 PolarHBondContact NZ-O 2.99Å
1022	L	62.9	Low	75.3	Confident	96 Å²	96	84.4 Å²	84.4	50%	0.503	49%	0.485	S	S	.	.			trans	-66.7	0	-177.5	-99.3	157.8	0	0	0	113.1	W856 A971 K974 I975 L1017	W856-L1022 WeakPolarHBondContact CZ2-OXT 3.48Å; W856-L1022 PolarHBondContact NE1-OXT 3.3Å; W856-L1022 VanDerWaalsContact NE1-OXT 3.15Å; A971-L1022 HydrophobicContact CB-CD2 3.99Å; K974-L1022 HydrophobicContact CB-CD2 4.1Å; K974-L1022 HydrophobicContact CB-CG 4.35Å; K974-L1022 HydrophobicContact CD-CD2 4.09Å; K974-L1022 HydrophobicContact CD-CG 4.02Å; I975-L1022 HydrophobicContact CD1-CD2 4.26Å; I975-L1022 HydrophobicContact CG1-CD2 4.07Å; L1017-L1022 HydrophobicContact CD2-CD1 4.28Å; L1017-L1022 HydrophobicContact CD2-CG 4.47Å

Retrieved 1,022 of 1,022 residues in 2005.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).