A0A5K4F150_SCHMA Loading...

RING-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F150, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 965 aa.

						>A0A5K4F150_SCHMA|A0A5K4F150
MSNAFEVAELAEDFDEDKSFEAVEPCLKFKSIEHGLCDITSVDSITCVAVHGKFIAVGTQLGRIHLLDHSGFPVENGFYGVHTGPVNAISISEQGYFIASCGEDGLLVIHNLSSILPNQVNNFQYPIKAVAIAPDFEKSNNLVVGFNKIYLLSKGMFTKAKHDELAKVHGLVSTIKWHCEIILWADDKCICVYDIRDHRPITFIQFTNPEITNSPTICSLCWCTENCFLISRGHSIRICQISDRTSNSDHSLHSSNSSLTHRSSQSLSSVECRIGLPSRYVEIVHQINMDDSIIIHSVSRHQACILLLFNVINDLSKSNYEISVLDIDLDSISNNLISSNQQYKEIYHEKLSMKSTASSHIVGLASVPHENTHYIFSRKELFCAQELTLDDRIDWFLENSLFSKGLETAQEHPRLLTRHTVQSVGITYIDYLLSERYFIGAGILCAQVLSTREAWEEQVRKFSNIDHLEAIVPYLPVSGEEKSVKLNSSIYELILTDYMNRMPIQFAQLLTEWCKLGVVDISENFLRTLLNRIEQYSSLSESIDLTKLDTEVQALYRGLAIIYEQMGSFEQAINILVRLRDPEVFTLVKRNIVKLKDRRLVDILKDHLIYFMELNTTKAINMLMDHIDQVSIDYVVNQLNSDSMLLYQFLDSVYYRYPQLIGPYLTLLISLYIKFCRSKLLPLLKSTDRYPLSEALSLCERAKLVPETVYLLTRVGRRHDALQLIMTRGGEDSSPGESTTPEQRQAIAAAKSIEYCREEDGIRAKNRRPFHRHRSMNNLNCSKDCDEDEGDENAGELWQQVILFAADKPAFICALLQNAGCEGLDSRLLLRKISPDMTIPGLRDAIVKLMHDYKIQLELQQSCSRILSSDMHQLFLRVIKMQMKGIRVNPSAWSSIGCAVCLQPILNNNGQSWRSANQSKCDVNSQNNGENHRSWAIFHCNHICHGDCLSNEETKCPSCSKSRII
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.9	Very low	47.4	Very low	218 Å²	218	80.8 Å²	80.8	100%	1.074	44%	0.439	S	S	*	.				0	-54.2	0	-71.7	-172.1	-156.1	0	0	110.3	A4	M1-A4 PolarHBondContact O-N 2.71Å
2	S	37.5	Very low	48.1	Very low	101 Å²	101	76.4 Å²	76.4	71%	0.706	41%	0.413	S	S	*	.	H	α-helix	trans	-60.6	-47.2	178.7	-40.9	0	0	0	0	114.4	A4 F5	S2-A4 PolarHBondContact O-N 3.03Å; S2-F5 PolarHBondContact O-N 3.22Å
3	N	40.7	Very low	48.5	Very low	123 Å²	123	76.4 Å²	76.4	66%	0.658	41%	0.413	S	S	*	.	H	α-helix	trans	-65.2	-10.7	179.3	-65	27	0	0	0	114.7	V7	N3-V7 WeakPolarHBondContact O-CG2 3.42Å
4	A	43.4	Very low	48.7	Very low	25 Å²	25	82.6 Å²	82.6	21%	0.207	43%	0.434	C	S	.	.	H	α-helix	trans	-87.2	-34.2	-178	0	0	0	0	0	112.5	M1 S2 E6 I443	M1-A4 PolarHBondContact O-N 2.71Å; S2-A4 PolarHBondContact O-N 3.03Å; A4-E6 VanDerWaalsContact C-N 3.33Å; A4-I443 HydrophobicContact CB-CD1 3.99Å; A4-I443 HydrophobicContact CB-CG2 3.72Å
5	F	48	Very low	48.9	Very low	46 Å²	46	81.7 Å²	81.7	20%	0.202	43%	0.43	C	S	.	.	H	α-helix	trans	-66.7	-42.8	174.7	-156.4	-95.3	0	0	0	109.9	S2 V7 A8 E9 E407	S2-F5 PolarHBondContact O-N 3.22Å; F5-V7 VanDerWaalsContact C-N 3.25Å; F5-V7 PolarHBondContact O-N 3.47Å; F5-V7 VanDerWaalsContact O-N 3.17Å; F5-A8 PolarHBondContact O-N 3.16Å; F5-E9 HydrophobicContact CD1-CB 4.5Å; F5-E9 WeakPolarHBondContact O-CB 3.45Å; F5-E9 PolarHBondContact O-N 3.34Å; F5-E407 HydrophobicContact CE1-CG 4.48Å; F5-E407 WeakPolarHBondContact CE1-OE1 3.41Å; F5-E407 HydrophobicContact CE2-CG 4.44Å; F5-E407 HydrophobicContact CZ-CG 3.7Å; F5-E407 WeakPolarHBondContact CZ-OE1 3.18Å
6	E	53.3	Low	48.8	Very low	111 Å²	111	84.9 Å²	84.9	52%	0.519	44%	0.442	S	S	.	.	H	α-helix	trans	-54.1	-37.5	177.4	-145.7	172.8	-165.1	0	0	112.7	A4 L10	A4-E6 VanDerWaalsContact C-N 3.33Å; E6-L10 VanDerWaalsContact O-CB 3.23Å; E6-L10 WeakPolarHBondContact O-CB 3.32Å; E6-L10 VanDerWaalsContact O-CD1 3.28Å; E6-L10 WeakPolarHBondContact O-CD1 3.3Å; E6-L10 WeakPolarHBondContact O-CG 3.4Å; E6-L10 PolarHBondContact O-N 2.76Å
7	V	51.3	Low	48.7	Very low	86 Å²	86	89.9 Å²	89.9	52%	0.521	47%	0.47	S	S	.	.	H	α-helix	trans	-74.6	-31.4	179.9	177.4	0	0	0	0	112.7	N3 F5	N3-V7 WeakPolarHBondContact O-CG2 3.42Å; F5-V7 VanDerWaalsContact C-N 3.25Å; F5-V7 PolarHBondContact O-N 3.47Å; F5-V7 VanDerWaalsContact O-N 3.17Å
8	A	50.1	Low	48.6	Very low	10 Å²	10	94.6 Å²	94.6	8%	0.083	49%	0.485	C	S	.	.	H	α-helix	trans	-81.7	-35.3	177.8	0	0	0	0	0	111.5	F5 A11 Y428	F5-A8 PolarHBondContact O-N 3.16Å; A8-A11 WeakPolarHBondContact O-CB 3.3Å; A8-A11 PolarHBondContact O-N 3.4Å; A8-Y428 WeakPolarHBondContact CB-OH 3.32Å; A8-Y428 PolarHBondContact O-OH 3.15Å
9	E	55.1	Low	48.2	Very low	82 Å²	82	93.4 Å²	93.4	38%	0.383	49%	0.486	S	S	.	.	H	α-helix	trans	-65	-44.4	172.7	-160.1	174	-169.6	0	0	110.7	F5 A11 E12 D13	F5-E9 HydrophobicContact CD1-CB 4.5Å; F5-E9 WeakPolarHBondContact O-CB 3.45Å; F5-E9 PolarHBondContact O-N 3.34Å; E9-A11 PolarHBondContact O-N 3.27Å; E9-A11 VanDerWaalsContact O-N 3.12Å; E9-E12 WeakPolarHBondContact O-CB 3.35Å; E9-E12 PolarHBondContact O-N 2.87Å; E9-D13 PolarHBondContact O-N 2.99Å
10	L	52.9	Low	48.2	Very low	81 Å²	81	99.1 Å²	99.1	42%	0.424	51%	0.507	S	S	.	.	H	α-helix	trans	-58	-28.4	173.3	-77.4	167.3	0	0	0	113.2	E6 E12 D13 F14	E6-L10 VanDerWaalsContact O-CB 3.23Å; E6-L10 WeakPolarHBondContact O-CB 3.32Å; E6-L10 VanDerWaalsContact O-CD1 3.28Å; E6-L10 WeakPolarHBondContact O-CD1 3.3Å; E6-L10 WeakPolarHBondContact O-CG 3.4Å; E6-L10 PolarHBondContact O-N 2.76Å; L10-E12 VanDerWaalsContact C-N 3.34Å; L10-D13 PolarHBondContact O-N 3.14Å; L10-F14 WeakPolarHBondContact O-CD2 3.41Å; L10-F14 PolarHBondContact O-N 3.26Å
11	A	54.6	Low	48.6	Very low	6 Å²	6	102.8 Å²	102.8	5%	0.05	52%	0.523	C	S	.	.	H	α-helix	trans	-71.3	-30.4	176.7	0	0	0	0	0	112.4	A8 E9 Y437	A8-A11 WeakPolarHBondContact O-CB 3.3Å; A8-A11 PolarHBondContact O-N 3.4Å; E9-A11 PolarHBondContact O-N 3.27Å; E9-A11 VanDerWaalsContact O-N 3.12Å; A11-Y437 HydrophobicContact CB-CD1 4.35Å; A11-Y437 HydrophobicContact CB-CD2 3.83Å; A11-Y437 HydrophobicContact CB-CE1 4.14Å; A11-Y437 HydrophobicContact CB-CE2 3.59Å; A11-Y437 HydrophobicContact CB-CG 4.21Å
12	E	54.9	Low	49.9	Very low	28 Å²	28	94.7 Å²	94.7	13%	0.131	49%	0.491	C	S	.	.	H	α-helix	trans	-75.3	-35.8	172.1	-66.3	-176.8	-176.7	0	0	110.9	E9 L10 F14 D15 F402 S403 Y428	E9-E12 WeakPolarHBondContact O-CB 3.35Å; E9-E12 PolarHBondContact O-N 2.87Å; L10-E12 VanDerWaalsContact C-N 3.34Å; E12-F14 VanDerWaalsContact C-N 3.25Å; E12-F14 PolarHBondContact O-N 3.34Å; E12-D15 PolarHBondContact O-N 3.3Å; E12-D15 VanDerWaalsContact O-N 3.07Å; E12-F402 PolarHBondContact OE1-N 3.35Å; E12-S403 WeakPolarHBondContact OE1-CB 3.19Å; E12-S403 PolarHBondContact OE1-N 2.79Å; E12-S403 VanDerWaalsContact OE2-CB 3.27Å; E12-S403 WeakPolarHBondContact OE2-CB 3.46Å; E12-S403 PolarHBondContact OE2-OG 3.41Å; E12-Y428 PolarHBondContact OE1-OH 3.45Å
13	D	53.5	Low	51.6	Low	76 Å²	76	95.1 Å²	95.1	41%	0.406	49%	0.488	S	S	.	.	H	α-helix	trans	-63.8	-26.2	177.8	-67.5	-16.6	0	0	0	113.2	E9 L10 D15 E16	E9-D13 PolarHBondContact O-N 2.99Å; L10-D13 PolarHBondContact O-N 3.14Å; D13-D15 VanDerWaalsContact C-N 3.26Å; D13-D15 PolarHBondContact O-N 2.78Å; D13-E16 WeakPolarHBondContact O-CB 3.44Å; D13-E16 VanDerWaalsContact O-CG 3.23Å; D13-E16 WeakPolarHBondContact O-CG 3.07Å; D13-E16 PolarHBondContact O-N 3.42Å
14	F	51.3	Low	53.4	Low	163 Å²	163	92.1 Å²	92.1	72%	0.715	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-12.8	175.8	-76.4	-69.1	0	0	0	113.9	L10 E12	L10-F14 WeakPolarHBondContact O-CD2 3.41Å; L10-F14 PolarHBondContact O-N 3.26Å; E12-F14 VanDerWaalsContact C-N 3.25Å; E12-F14 PolarHBondContact O-N 3.34Å
15	D	51.2	Low	55.3	Low	69 Å²	69	92.2 Å²	92.2	37%	0.369	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	12.1	176	-110.9	-20.8	0	0	0	112.5	E12 D13 D17 K18	E12-D15 PolarHBondContact O-N 3.3Å; E12-D15 VanDerWaalsContact O-N 3.07Å; D13-D15 VanDerWaalsContact C-N 3.26Å; D13-D15 PolarHBondContact O-N 2.78Å; D15-D17 PolarHBondContact O-N 3.46Å; D15-K18 PolarHBondContact O-N 3.29Å
16	E	47.3	Very low	57.1	Low	134 Å²	134	91.8 Å²	91.8	63%	0.626	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-52.3	-28.1	178.7	-87.5	-176	171	0	0	113.6	D13 K18 S19	D13-E16 WeakPolarHBondContact O-CB 3.44Å; D13-E16 VanDerWaalsContact O-CG 3.23Å; D13-E16 WeakPolarHBondContact O-CG 3.07Å; D13-E16 PolarHBondContact O-N 3.42Å; E16-K18 PolarHBondContact O-N 2.95Å; E16-K18 VanDerWaalsContact O-N 3.09Å; E16-S19 PolarHBondContact O-N 3.47Å
17	D	48.4	Very low	58.8	Low	170 Å²	170	86.7 Å²	86.7	91%	0.909	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-67.3	-8.9	179.8	-83.4	-20.5	0	0	0	114.3	D15	D15-D17 PolarHBondContact O-N 3.46Å
18	K	45.8	Very low	60.6	Low	174 Å²	174	86.7 Å²	86.7	76%	0.757	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-111.2	-10.1	179.2	-78.5	-177.6	-171.6	153.8	0	116	D15 E16 F20	D15-K18 PolarHBondContact O-N 3.29Å; E16-K18 PolarHBondContact O-N 2.95Å; E16-K18 VanDerWaalsContact O-N 3.09Å; K18-F20 PolarHBondContact O-N 3.27Å
19	S	42.1	Very low	62.5	Low	72 Å²	72	88.7 Å²	88.7	50%	0.503	45%	0.448	S	S	.	.			trans	-94.1	95.2	176.3	69.9	0	0	0	0	109.8	E16 E21	E16-S19 PolarHBondContact O-N 3.47Å; S19-E21 VanDerWaalsContact C-N 3.29Å; S19-E21 PolarHBondContact O-N 2.95Å
20	F	48.4	Very low	64.2	Low	206 Å²	206	89.6 Å²	89.6	90%	0.904	45%	0.45	S	S	*	.			trans	-51.9	111.1	141.1	-95.2	-97.7	0	0	0	104.3	K18 A22	K18-F20 PolarHBondContact O-N 3.27Å; F20-A22 VanDerWaalsContact C-N 3.27Å; F20-A22 PolarHBondContact O-N 3.31Å
21	E	55.1	Low	65.9	Low	177 Å²	177	87.9 Å²	87.9	83%	0.827	45%	0.445	S	S	*	.			trans	-44.7	95.2	-178.5	-82.3	-179.5	141.7	0	0	108.9	S19 V23	S19-E21 VanDerWaalsContact C-N 3.29Å; S19-E21 PolarHBondContact O-N 2.95Å; E21-V23 PolarHBondContact O-N 3.41Å
22	A	63	Low	67.6	Low	49 Å²	49	87.7 Å²	87.7	41%	0.405	44%	0.443	S	S	.	.			trans	-69.7	112.6	-177.7	0	0	0	0	0	104.1	F20 E24 W395	F20-A22 VanDerWaalsContact C-N 3.27Å; F20-A22 PolarHBondContact O-N 3.31Å; A22-E24 PolarHBondContact O-N 2.97Å; A22-W395 HydrophobicContact CB-CH2 3.95Å; A22-W395 HydrophobicContact CB-CZ2 3.61Å; A22-W395 WeakPolarHBondContact O-CH2 3.47Å
23	V	72.8	Confident	69	Low	109 Å²	109	92 Å²	92	66%	0.661	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-69	121.7	-178.7	-179.6	0	0	0	0	107	E21	E21-V23 PolarHBondContact O-N 3.41Å
24	E	79.6	Confident	70.5	Confident	61 Å²	61	93.1 Å²	93.1	29%	0.285	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-52.7	127.6	178.2	-172.1	-175.7	166.5	0	0	109.5	A22 R392 W395	A22-E24 PolarHBondContact O-N 2.97Å; E24-R392 IonicContact OE1-CZ 3.48Å; E24-R392 IonicContact OE1-NE 3.72Å; E24-R392 PolarHBondContact OE1-NE 3.02Å; E24-R392 IonicContact OE1-NH2 3.84Å; E24-R392 PolarHBondContact OE1-NH2 3.32Å; E24-R392 IonicContact OE2-NH2 3.16Å; E24-R392 PolarHBondContact OE2-NH2 3.4Å; E24-W395 HydrophobicContact CB-CH2 4.35Å; E24-W395 HydrophobicContact CB-CZ3 4.28Å; E24-W395 HydrophobicContact CG-CE3 4.3Å; E24-W395 HydrophobicContact CG-CZ3 4.34Å
25	P	83.5	Confident	71.9	Confident	26 Å²	26	85.7 Å²	85.7	17%	0.169	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-65.2	147.1	-180	26.7	-33.2	0	0	0	110	Y347 L387 W395	P25-Y347 HydrophobicContact CB-CE2 4.21Å; P25-L387 HydrophobicContact CB-CD1 3.87Å; P25-L387 HydrophobicContact CG-CD1 3.83Å; P25-L387 WeakPolarHBondContact O-CD1 3.28Å; P25-W395 VanDerWaalsContact CD-CE2 3.45Å; P25-W395 HydrophobicContact CG-CD2 4.44Å; P25-W395 HydrophobicContact CG-CG 4.04Å
26	C	84.1	Confident	73.6	Confident	37 Å²	37	82.6 Å²	82.6	25%	0.25	42%	0.419	C	S	.	.	S	Bend	trans	-99	-22.4	171.5	-72.6	0	0	0	0	112.4	Y347	C26-Y347 HydrophobicContact CB-CD1 4.09Å; C26-Y347 HydrophobicContact CB-CD2 4.01Å; C26-Y347 HydrophobicContact CB-CG 3.68Å
27	L	89.8	Confident	75.6	Confident	5 Å²	5	79.5 Å²	79.5	3%	0.026	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145.4	-175.2	-66.9	170.1	0	0	0	110.5	F29 H301 L306 I322 V324 Y347 A384 Q385	L27-F29 HydrophobicContact CB-CD2 4.35Å; L27-F29 HydrophobicContact CB-CE2 3.57Å; L27-F29 HydrophobicContact CB-CZ 3.95Å; L27-F29 HydrophobicContact CD1-CE2 4.41Å; L27-F29 HydrophobicContact CD1-CZ 4Å; L27-H301 VanDerWaalsContact CD2-CE1 3.41Å; L27-H301 WeakPolarHBondContact CD2-CE1 3.4Å; L27-L306 HydrophobicContact CD1-CD1 3.71Å; L27-I322 HydrophobicContact CD1-CG2 4.07Å; L27-V324 HydrophobicContact CD1-CG2 4.17Å; L27-Y347 HydrophobicContact CB-CE1 4.2Å; L27-Y347 HydrophobicContact CD1-CD1 4.4Å; L27-Y347 HydrophobicContact CD1-CE1 4.28Å; L27-Y347 HydrophobicContact CG-CE1 4.45Å; L27-A384 HydrophobicContact CD1-CB 4.49Å; L27-Q385 CarbonylContact C-O 3.36Å; L27-Q385 WeakPolarHBondContact CA-O 3.47Å
28	K	89.9	Confident	77.4	Confident	86 Å²	86	77.1 Å²	77.1	37%	0.374	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.3	168.5	-178.6	177.1	-177.6	173.3	0	109.3	A384 Q385 L387 D391	K28-A384 WeakPolarHBondContact O-CA 3.5Å; K28-Q385 PolarHBondContact N-O 3.39Å; K28-Q385 PolarHBondContact O-N 3.02Å; K28-L387 HydrophobicContact CB-CD2 4Å; K28-L387 HydrophobicContact CB-CG 4.35Å; K28-D391 IonicContact NZ-OD1 3.94Å; K28-D391 PolarHBondContact NZ-OD1 3.33Å; K28-D391 IonicContact NZ-OD2 3.3Å
29	F	89.7	Confident	79.5	Confident	52 Å²	52	69.5 Å²	69.5	23%	0.228	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	134.7	180	-67.7	-92.8	0	0	0	111.6	L27 I322 Y347 E349 L351 I375 C383 A384	L27-F29 HydrophobicContact CB-CD2 4.35Å; L27-F29 HydrophobicContact CB-CE2 3.57Å; L27-F29 HydrophobicContact CB-CZ 3.95Å; L27-F29 HydrophobicContact CD1-CE2 4.41Å; L27-F29 HydrophobicContact CD1-CZ 4Å; F29-I322 HydrophobicContact CE1-CD1 3.83Å; F29-I322 HydrophobicContact CZ-CD1 4.09Å; F29-Y347 HydrophobicContact CE2-CE1 4.4Å; F29-E349 WeakPolarHBondContact CD2-OE2 3.38Å; F29-E349 WeakPolarHBondContact CE2-OE2 3.28Å; F29-L351 HydrophobicContact CD1-CD2 4Å; F29-L351 HydrophobicContact CE1-CD2 3.81Å; F29-L351 HydrophobicContact CZ-CD2 4.43Å; F29-I375 HydrophobicContact CD1-CD1 4.45Å; F29-I375 HydrophobicContact CE1-CD1 3.88Å; F29-C383 CarbonylContact C-O 3.55Å; F29-C383 WeakPolarHBondContact CA-O 3.46Å; F29-A384 HydrophobicContact CD1-CB 3.86Å; F29-A384 HydrophobicContact CE1-CB 3.5Å; F29-A384 HydrophobicContact CZ-CB 4.03Å
30	K	90	Very high	81.8	Confident	100 Å²	100	66.8 Å²	66.8	44%	0.435	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	122.2	174.2	-177.2	-178.8	176.1	-173.9	0	110	F382 C383	K30-F382 CarbonylContact O-C 3.54Å; K30-F382 WeakPolarHBondContact O-CA 3.34Å; K30-C383 HydrophobicContact CB-CB 4.43Å; K30-C383 PolarHBondContact N-O 3.19Å; K30-C383 PolarHBondContact O-N 3.36Å
31	S	89.6	Confident	83.7	Confident	46 Å²	46	61 Å²	61	32%	0.322	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	130.6	170.3	-172.8	0	0	0	0	110.1	E33	S31-E33 PolarHBondContact O-N 3.43Å; S31-E33 WeakPolarHBondContact OG-CG 3.35Å; S31-E33 PolarHBondContact OG-OE1 3.13Å
32	I	90.7	Very high	85.5	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.01	32%	0.321	C	S	.	.			trans	-95	92.3	176.1	-56.8	-62.2	0	0	0	108.2	L36 Y374 L381 C383	I32-L36 WeakPolarHBondContact O-CB 3.35Å; I32-L36 WeakPolarHBondContact O-CD2 3.15Å; I32-Y374 HydrophobicContact CD1-CE1 4.28Å; I32-Y374 HydrophobicContact CG1-CD1 4.5Å; I32-Y374 HydrophobicContact CG1-CE1 4.14Å; I32-L381 HydrophobicContact CB-CB 4.19Å; I32-L381 HydrophobicContact CB-CD2 4.03Å; I32-L381 HydrophobicContact CB-CG 4.16Å; I32-L381 WeakPolarHBondContact CB-O 3.46Å; I32-L381 HydrophobicContact CG1-CD2 4.21Å; I32-L381 HydrophobicContact CG1-CG 4.19Å; I32-L381 HydrophobicContact CG2-CD2 4.01Å; I32-L381 PolarHBondContact N-O 3.41Å; I32-C383 HydrophobicContact CD1-CB 3.99Å; I32-C383 HydrophobicContact CG1-CB 4.22Å
33	E	83.3	Confident	86.9	Confident	117 Å²	117	55.3 Å²	55.3	55%	0.547	30%	0.304	S	S	.	.			trans	-99.7	-36.5	-169.1	-61.2	-171.9	170.1	0	0	114	S31 C37	S31-E33 PolarHBondContact O-N 3.43Å; S31-E33 WeakPolarHBondContact OG-CG 3.35Å; S31-E33 PolarHBondContact OG-OE1 3.13Å; E33-C37 VanDerWaalsContact O-CB 3.3Å; E33-C37 WeakPolarHBondContact O-CB 3.23Å; E33-C37 PolarHBondContact O-N 2.89Å; E33-C37 PolarHBondContact O-SG 2.08Å
34	H	84.5	Confident	87.8	Confident	100 Å²	100	51.5 Å²	51.5	46%	0.463	28%	0.282	S	S	.	.	H	α-helix	trans	-47.3	-93.4	-163.2	-64.7	-56.2	0	0	0	115.7	L36 S70 F72	H34-L36 PolarHBondContact O-N 2.91Å; H34-S70 PolarHBondContact CD2-O 2.99Å; H34-S70 VanDerWaalsContact CD2-O 3.28Å; H34-F72 HydrophobicContact CB-CD1 4.09Å; H34-F72 HydrophobicContact CB-CE1 3.92Å; H34-F72 HydrophobicContact CB-CE2 4.49Å; H34-F72 HydrophobicContact CB-CG 4.45Å; H34-F72 HydrophobicContact CB-CZ 4.12Å; H34-F72 AromaticContact CD2-CE2 3.38Å; H34-F72 WeakPolarHBondContact CD2-CE2 3.35Å; H34-F72 AromaticContact CD2-CZ 3.42Å; H34-F72 VanDerWaalsContact CD2-CZ 3.42Å; H34-F72 WeakPolarHBondContact CD2-CZ 3.4Å; H34-F72 AromaticContact CE1-CZ 3.82Å; H34-F72 AromaticContact CG-CE1 3.8Å; H34-F72 AromaticContact CG-CE2 3.93Å; H34-F72 AromaticContact CG-CZ 3.53Å; H34-F72 AromaticContact ND1-CZ 3.77Å; H34-F72 AromaticContact NE2-CE2 3.74Å; H34-F72 AromaticContact NE2-CZ 3.63Å
35	G	81.4	Confident	88.5	Confident	8 Å²	8	48.6 Å²	48.6	8%	0.082	27%	0.268	C	S	.	.	H	α-helix	trans	-71.6	-14.2	178.3	0	0	0	0	0	112.9	I39 G71	G35-I39 WeakPolarHBondContact O-CD1 3.5Å; G35-I39 WeakPolarHBondContact O-CG1 3.37Å; G35-I39 PolarHBondContact O-N 3.48Å; G35-G71 WeakPolarHBondContact CA-O 3.41Å; G35-G71 PolarHBondContact N-O 2.96Å
36	L	87.9	Confident	88.9	Confident	4 Å²	4	48.1 Å²	48.1	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-71.8	-41	-178.9	-167.1	74.8	0	0	0	112.4	I32 H34 D38 I39 T40 I45 L67 L381	I32-L36 WeakPolarHBondContact O-CB 3.35Å; I32-L36 WeakPolarHBondContact O-CD2 3.15Å; H34-L36 PolarHBondContact O-N 2.91Å; L36-D38 PolarHBondContact O-N 3.22Å; L36-I39 WeakPolarHBondContact O-CB 3.43Å; L36-I39 PolarHBondContact O-N 3.44Å; L36-T40 HydrophobicContact CD1-CG2 4.2Å; L36-T40 HydrophobicContact CG-CG2 3.96Å; L36-T40 WeakPolarHBondContact O-CG2 3.48Å; L36-T40 PolarHBondContact O-N 3.27Å; L36-T40 PolarHBondContact O-OG1 2.88Å; L36-T40 VanDerWaalsContact O-OG1 3.1Å; L36-I45 HydrophobicContact CD1-CD1 4.01Å; L36-L67 HydrophobicContact CB-CD1 4.43Å; L36-L67 HydrophobicContact CD1-CD1 3.94Å; L36-L381 HydrophobicContact CD2-CB 3.31Å; L36-L381 HydrophobicContact CD2-CD2 4.32Å; L36-L381 HydrophobicContact CD2-CG 4.46Å
37	C	87.3	Confident	89.4	Confident	69 Å²	69	47 Å²	47	47%	0.466	26%	0.257	S	S	.	.	H	α-helix	trans	-56	-40.2	177.7	-80.5	0	0	0	0	111.7	E33 S41	E33-C37 VanDerWaalsContact O-CB 3.3Å; E33-C37 WeakPolarHBondContact O-CB 3.23Å; E33-C37 PolarHBondContact O-N 2.89Å; E33-C37 PolarHBondContact O-SG 2.08Å; C37-S41 VanDerWaalsContact O-CB 3.28Å; C37-S41 WeakPolarHBondContact O-CB 3.48Å; C37-S41 PolarHBondContact O-N 3.39Å
38	D	87.6	Confident	89.7	Confident	119 Å²	119	47.6 Å²	47.6	64%	0.636	26%	0.261	S	S	*	.	H	α-helix	trans	-64.9	-43.3	176.9	-67.3	-25	0	0	0	111.2	L36 S41	L36-D38 PolarHBondContact O-N 3.22Å; D38-S41 PolarHBondContact O-OG 2.97Å
39	I	89.7	Confident	89.9	Confident	14 Å²	14	44.1 Å²	44.1	7%	0.072	25%	0.248	C	C	.	.	H	α-helix	trans	-63.8	-49.6	177.7	-63.4	163.7	0	0	0	110.7	G35 L36 S41 V42 D43 T59 H65 L67	G35-I39 WeakPolarHBondContact O-CD1 3.5Å; G35-I39 WeakPolarHBondContact O-CG1 3.37Å; G35-I39 PolarHBondContact O-N 3.48Å; L36-I39 WeakPolarHBondContact O-CB 3.43Å; L36-I39 PolarHBondContact O-N 3.44Å; I39-S41 VanDerWaalsContact C-N 3.3Å; I39-S41 PolarHBondContact O-N 3.44Å; I39-V42 PolarHBondContact O-N 3.25Å; I39-D43 WeakPolarHBondContact O-CB 3.43Å; I39-D43 PolarHBondContact O-N 3.34Å; I39-T59 HydrophobicContact CG2-CG2 4.18Å; I39-H65 HydrophobicContact CD1-CB 3.64Å; I39-L67 HydrophobicContact CD1-CD1 4.42Å; I39-L67 HydrophobicContact CD1-CD2 4Å
40	T	89.1	Confident	90.2	Very high	16 Å²	16	42.2 Å²	42.2	10%	0.098	24%	0.241	C	C	.	.	H	α-helix	trans	-79.7	-12	-173.2	63.1	0	0	0	0	113	L36 D43 I45 K379	L36-T40 HydrophobicContact CD1-CG2 4.2Å; L36-T40 HydrophobicContact CG-CG2 3.96Å; L36-T40 WeakPolarHBondContact O-CG2 3.48Å; L36-T40 PolarHBondContact O-N 3.27Å; L36-T40 PolarHBondContact O-OG1 2.88Å; L36-T40 VanDerWaalsContact O-OG1 3.1Å; T40-D43 CarbonylContact C-O 3.55Å; T40-D43 WeakPolarHBondContact CA-O 3.32Å; T40-D43 VanDerWaalsContact O-O 3.13Å; T40-I45 HydrophobicContact CG2-CD1 3.95Å; T40-I45 HydrophobicContact CG2-CG1 4.01Å; T40-K379 WeakPolarHBondContact CB-O 3.34Å; T40-K379 WeakPolarHBondContact CG2-O 3.43Å; T40-K379 VanDerWaalsContact O-CD 3.27Å; T40-K379 WeakPolarHBondContact O-CD 3.32Å; T40-K379 WeakPolarHBondContact O-CE 3.32Å; T40-K379 PolarHBondContact O-NZ 3.22Å; T40-K379 PolarHBondContact OG1-O 2.81Å
41	S	89.7	Confident	90.5	Very high	85 Å²	85	38.6 Å²	38.6	59%	0.594	23%	0.226	S	C	*	.	H	α-helix	trans	-66.2	-36.5	170.8	72.5	0	0	0	0	112.7	C37 D38 I39	C37-S41 VanDerWaalsContact O-CB 3.28Å; C37-S41 WeakPolarHBondContact O-CB 3.48Å; C37-S41 PolarHBondContact O-N 3.39Å; D38-S41 PolarHBondContact O-OG 2.97Å; I39-S41 VanDerWaalsContact C-N 3.3Å; I39-S41 PolarHBondContact O-N 3.44Å
42	V	91.8	Very high	90.6	Very high	99 Å²	99	38.2 Å²	38.2	60%	0.6	23%	0.229	S	C	*	.	H	α-helix	trans	-113.9	-15.1	-174.3	-66.2	0	0	0	0	114.1	I39	I39-V42 PolarHBondContact O-N 3.25Å
43	D	93.2	Very high	90.7	Very high	7 Å²	7	42.8 Å²	42.8	4%	0.037	25%	0.249	C	C	.	.	S	Bend	trans	-136.3	175.1	-177.2	-152.6	-20.4	0	0	0	111	I39 T40 T59 Q60 L61 K379	I39-D43 WeakPolarHBondContact O-CB 3.43Å; I39-D43 PolarHBondContact O-N 3.34Å; T40-D43 CarbonylContact C-O 3.55Å; T40-D43 WeakPolarHBondContact CA-O 3.32Å; T40-D43 VanDerWaalsContact O-O 3.13Å; D43-T59 HydrophobicContact CB-CG2 4.5Å; D43-T59 VanDerWaalsContact CG-OG1 3.3Å; D43-T59 WeakPolarHBondContact OD1-CB 3.5Å; D43-T59 WeakPolarHBondContact OD2-CB 3.34Å; D43-T59 PolarHBondContact OD2-OG1 3.33Å; D43-Q60 PolarHBondContact OD1-N 3.39Å; D43-L61 HydrophobicContact CB-CD1 4.28Å; D43-L61 WeakPolarHBondContact OD1-CG 3.47Å; D43-L61 PolarHBondContact OD1-N 3.17Å; D43-L61 WeakPolarHBondContact OD2-CB 3.48Å; D43-K379 PolarHBondContact O-NZ 3.16Å
44	S	91.8	Very high	91.3	Very high	28 Å²	28	37.8 Å²	37.8	20%	0.196	23%	0.225	C	C	.	.			trans	-130	138.9	176.2	-56.6	0	0	0	0	111	T59 Q60 R378 K379	S44-T59 CarbonylContact O-C 3.52Å; S44-T59 VanDerWaalsContact O-CA 3.23Å; S44-T59 WeakPolarHBondContact O-CA 3.43Å; S44-T59 WeakPolarHBondContact O-CB 3.39Å; S44-Q60 PolarHBondContact O-N 3.35Å; S44-R378 WeakPolarHBondContact CA-O 2.93Å; S44-K379 WeakPolarHBondContact OG-CE 3.38Å; S44-K379 PolarHBondContact OG-NZ 3.25Å
45	I	93.3	Very high	91.8	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	134.3	178.5	-55.3	173.5	0	0	0	109.4	L36 T40 V48 V57 F376 S377 R378	L36-I45 HydrophobicContact CD1-CD1 4.01Å; T40-I45 HydrophobicContact CG2-CD1 3.95Å; T40-I45 HydrophobicContact CG2-CG1 4.01Å; I45-V48 HydrophobicContact CG2-CG2 3.72Å; I45-V57 HydrophobicContact CB-CG1 4.32Å; I45-V57 HydrophobicContact CD1-CG1 4.2Å; I45-V57 HydrophobicContact CG1-CG1 3.77Å; I45-V57 HydrophobicContact CG2-CG1 3.91Å; I45-F376 HydrophobicContact CG2-CD2 4Å; I45-S377 WeakPolarHBondContact CB-O 3.26Å; I45-R378 PolarHBondContact N-O 3.01Å
46	T	93.2	Very high	92.6	Very high	17 Å²	17	32.7 Å²	32.7	10%	0.104	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	-34.1	176.8	51.1	0	0	0	0	112.6	G58 T59 Q60 P85 V86	T46-G58 PolarHBondContact N-O 2.84Å; T46-G58 VanDerWaalsContact OG1-C 3.32Å; T46-G58 PolarHBondContact OG1-O 3.32Å; T46-G58 VanDerWaalsContact OG1-O 3.13Å; T46-T59 PolarHBondContact OG1-N 3.13Å; T46-T59 PolarHBondContact OG1-O 3.29Å; T46-Q60 HydrophobicContact CG2-CB 4.01Å; T46-Q60 VanDerWaalsContact CG2-OE1 3.27Å; T46-P85 HydrophobicContact CG2-CB 4.42Å; T46-V86 VanDerWaalsContact CB-O 3.26Å; T46-V86 WeakPolarHBondContact CB-O 3.48Å; T46-V86 PolarHBondContact OG1-O 3.11Å
47	C	93.7	Very high	93	Very high	13 Å²	13	32.5 Å²	32.5	9%	0.088	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	154.5	174.3	59.8	0	0	0	0	111.1	G58 V86	C47-G58 PolarHBondContact N-O 3.33Å; C47-G58 PolarHBondContact O-N 3.04Å; C47-V86 PolarHBondContact SG-O 3.42Å
48	V	95.7	Very high	93.4	Very high	18 Å²	18	29.2 Å²	29.2	11%	0.109	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	136.1	175.1	179.5	0	0	0	0	108.9	I45 V50 I55 A56 V57 A365 F376	I45-V48 HydrophobicContact CG2-CG2 3.72Å; V48-V50 HydrophobicContact CG1-CG2 4Å; V48-I55 HydrophobicContact CG1-CG2 3.73Å; V48-A56 WeakPolarHBondContact CA-O 3.44Å; V48-V57 HydrophobicContact CG2-CG2 4.47Å; V48-A365 HydrophobicContact CG1-CB 4.27Å; V48-F376 HydrophobicContact CB-CD1 3.68Å; V48-F376 HydrophobicContact CB-CE1 3.76Å; V48-F376 HydrophobicContact CB-CG 4.1Å; V48-F376 HydrophobicContact CB-CZ 4.24Å; V48-F376 HydrophobicContact CG1-CD1 4.49Å; V48-F376 HydrophobicContact CG2-CB 3.91Å; V48-F376 HydrophobicContact CG2-CD1 3.66Å; V48-F376 HydrophobicContact CG2-CD2 3.83Å; V48-F376 HydrophobicContact CG2-CE1 4.08Å; V48-F376 HydrophobicContact CG2-CE2 4.23Å; V48-F376 HydrophobicContact CG2-CG 3.53Å; V48-F376 HydrophobicContact CG2-CZ 4.34Å
49	A	95.7	Very high	93.8	Very high	13 Å²	13	23.5 Å²	23.5	11%	0.107	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	145.4	168.4	0	0	0	0	0	108.9	A56 I89 I91	A49-A56 PolarHBondContact N-O 2.77Å; A49-A56 PolarHBondContact O-N 2.83Å; A49-I89 HydrophobicContact CB-CB 3.93Å; A49-I89 HydrophobicContact CB-CG2 3.77Å; A49-I91 HydrophobicContact CB-CD1 3.7Å; A49-I91 HydrophobicContact CB-CG1 3.96Å
50	V	96	Very high	94	Very high	12 Å²	12	27 Å²	27	7%	0.073	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.4	-172	-169.2	0	0	0	0	109.8	V48 I55 A365 V367 Y374	V48-V50 HydrophobicContact CG1-CG2 4Å; V50-I55 HydrophobicContact CG1-CG1 4.34Å; V50-I55 HydrophobicContact CG2-CG2 4.36Å; V50-A365 HydrophobicContact CG2-CB 3.65Å; V50-V367 HydrophobicContact CG1-CB 4.4Å; V50-V367 HydrophobicContact CG1-CG2 3.47Å; V50-V367 VanDerWaalsContact CG1-CG2 3.47Å; V50-Y374 HydrophobicContact CB-CD2 4.29Å; V50-Y374 HydrophobicContact CG1-CD2 3.67Å; V50-Y374 HydrophobicContact CG1-CE2 3.67Å; V50-Y374 HydrophobicContact CG2-CD2 3.7Å; V50-Y374 HydrophobicContact CG2-CE2 4.47Å; V50-Y374 HydrophobicContact CG2-CG 4.14Å
51	H	95	Very high	94.3	Very high	24 Å²	24	30.6 Å²	30.6	11%	0.111	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	156.9	171.7	-177.5	-80.3	0	0	0	108	K53 F54 H69 I91 E93 G95	H51-K53 PolarHBondContact ND1-N 3.41Å; H51-K53 PolarHBondContact O-N 2.87Å; H51-F54 PolarHBondContact N-O 3.21Å; H51-F54 PolarHBondContact O-N 3.04Å; H51-F54 VanDerWaalsContact O-N 3.11Å; H51-H69 PolarHBondContact O-CE1 3.48Å; H51-H69 PolarHBondContact O-NE2 3.41Å; H51-I91 HydrophobicContact CB-CD1 4.07Å; H51-I91 HydrophobicContact CB-CG2 4.09Å; H51-E93 PolarHBondContact NE2-O 3.2Å; H51-G95 WeakPolarHBondContact NE2-CA 3.39Å; H51-G95 PolarHBondContact NE2-N 3.28Å
52	G	92.8	Very high	94.6	Very high	38 Å²	38	26.6 Å²	26.6	39%	0.392	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	8.8	178.8	0	0	0	0	0	116	H69	G52-H69 VanDerWaalsContact C-NE2 3.26Å
53	K	92.5	Very high	94.7	Very high	98 Å²	98	26 Å²	26	43%	0.426	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112	-32.7	175.7	-68.8	174.5	179.1	169.1	0	112.1	H51 H69 Q94	H51-K53 PolarHBondContact ND1-N 3.41Å; H51-K53 PolarHBondContact O-N 2.87Å; K53-H69 PolarHBondContact N-NE2 2.93Å; K53-Q94 PolarHBondContact NZ-O 2.91Å
54	F	95.1	Very high	94.9	Very high	12 Å²	12	25.7 Å²	25.7	5%	0.053	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	163.9	-171.3	57.4	-99.3	0	0	0	111.5	H51 A56 L66 L67 H69 V74 I91 I98 L112	H51-F54 PolarHBondContact N-O 3.21Å; H51-F54 PolarHBondContact O-N 3.04Å; H51-F54 VanDerWaalsContact O-N 3.11Å; F54-A56 HydrophobicContact CE2-CB 4.41Å; F54-L66 HydrophobicContact CD2-CB 4.49Å; F54-L66 HydrophobicContact CD2-CD1 4.43Å; F54-L66 HydrophobicContact CD2-CD2 3.95Å; F54-L66 HydrophobicContact CE2-CD1 4.41Å; F54-L66 HydrophobicContact CE2-CD2 4.01Å; F54-L67 CarbonylContact C-O 3.46Å; F54-L67 WeakPolarHBondContact CA-O 3.4Å; F54-L67 VanDerWaalsContact CB-O 3.24Å; F54-L67 WeakPolarHBondContact CB-O 3.43Å; F54-H69 PolarHBondContact N-NE2 3.25Å; F54-V74 HydrophobicContact CB-CG2 4.14Å; F54-I91 HydrophobicContact CE2-CD1 3.95Å; F54-I91 HydrophobicContact CE2-CG2 4.46Å; F54-I91 HydrophobicContact CZ-CG2 4.16Å; F54-I98 HydrophobicContact CE2-CD1 3.71Å; F54-I98 HydrophobicContact CE2-CG1 4.44Å; F54-I98 HydrophobicContact CZ-CD1 3.97Å; F54-I98 HydrophobicContact CZ-CG1 4.37Å; F54-L112 HydrophobicContact CE1-CD1 3.52Å; F54-L112 HydrophobicContact CE2-CD1 4.27Å; F54-L112 HydrophobicContact CZ-CD1 3.33Å
55	I	96	Very high	95.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.9	171.7	-53.5	163.1	0	0	0	107.5	V48 V50 V57 L66 L67 Y374 L381	V48-I55 HydrophobicContact CG1-CG2 3.73Å; V50-I55 HydrophobicContact CG1-CG1 4.34Å; V50-I55 HydrophobicContact CG2-CG2 4.36Å; I55-V57 HydrophobicContact CG2-CG2 4.06Å; I55-L66 CarbonylContact O-C 3.58Å; I55-L66 WeakPolarHBondContact O-CA 3.42Å; I55-L67 HydrophobicContact CB-CB 4.45Å; I55-L67 PolarHBondContact N-O 3.41Å; I55-L67 PolarHBondContact O-N 3.07Å; I55-Y374 HydrophobicContact CD1-CD1 3.82Å; I55-Y374 HydrophobicContact CD1-CE1 3.24Å; I55-Y374 HydrophobicContact CD1-CE2 4.24Å; I55-Y374 VanDerWaalsContact CD1-CZ 3.48Å; I55-Y374 HydrophobicContact CG1-CD1 4.47Å; I55-Y374 HydrophobicContact CG1-CE1 4.05Å; I55-Y374 HydrophobicContact CG1-CE2 4.18Å; I55-L381 HydrophobicContact CD1-CD2 4.24Å; I55-L381 HydrophobicContact CG2-CD2 4.24Å
56	A	96.7	Very high	95.2	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.6	174.1	0	0	0	0	0	110.2	V48 A49 F54 H65 L66 I89 I91 I98	V48-A56 WeakPolarHBondContact CA-O 3.44Å; A49-A56 PolarHBondContact N-O 2.77Å; A49-A56 PolarHBondContact O-N 2.83Å; F54-A56 HydrophobicContact CE2-CB 4.41Å; A56-H65 WeakPolarHBondContact CA-O 3.5Å; A56-L66 HydrophobicContact CB-CD2 3.55Å; A56-I89 HydrophobicContact CB-CD1 4.42Å; A56-I89 HydrophobicContact CB-CG2 4.14Å; A56-I91 HydrophobicContact CB-CD1 4.21Å; A56-I98 HydrophobicContact CB-CD1 4.43Å
57	V	96.5	Very high	95.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	116.7	-177.5	-178.4	0	0	0	0	109.2	I45 V48 I55 I64 H65 L67	I45-V57 HydrophobicContact CB-CG1 4.32Å; I45-V57 HydrophobicContact CD1-CG1 4.2Å; I45-V57 HydrophobicContact CG1-CG1 3.77Å; I45-V57 HydrophobicContact CG2-CG1 3.91Å; V48-V57 HydrophobicContact CG2-CG2 4.47Å; I55-V57 HydrophobicContact CG2-CG2 4.06Å; V57-I64 CarbonylContact O-C 3.56Å; V57-I64 VanDerWaalsContact O-CA 3.31Å; V57-I64 WeakPolarHBondContact O-CA 2.9Å; V57-H65 HydrophobicContact CB-CB 4.48Å; V57-H65 PolarHBondContact N-O 3.37Å; V57-H65 PolarHBondContact O-N 3.02Å; V57-L67 HydrophobicContact CG2-CD1 4.23Å
58	G	96	Very high	95.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	145.2	171.2	0	0	0	0	0	111.2	T46 C47 R63	T46-G58 PolarHBondContact N-O 2.84Å; T46-G58 VanDerWaalsContact OG1-C 3.32Å; T46-G58 PolarHBondContact OG1-O 3.32Å; T46-G58 VanDerWaalsContact OG1-O 3.13Å; C47-G58 PolarHBondContact N-O 3.33Å; C47-G58 PolarHBondContact O-N 3.04Å; G58-R63 CarbonylContact C-O 3.59Å; G58-R63 WeakPolarHBondContact CA-O 3.44Å
59	T	95.9	Very high	95.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	166.8	-173.5	77.7	0	0	0	0	114.7	I39 D43 S44 T46 L61 G62 R63 V86	I39-T59 HydrophobicContact CG2-CG2 4.18Å; D43-T59 HydrophobicContact CB-CG2 4.5Å; D43-T59 VanDerWaalsContact CG-OG1 3.3Å; D43-T59 WeakPolarHBondContact OD1-CB 3.5Å; D43-T59 WeakPolarHBondContact OD2-CB 3.34Å; D43-T59 PolarHBondContact OD2-OG1 3.33Å; S44-T59 CarbonylContact O-C 3.52Å; S44-T59 VanDerWaalsContact O-CA 3.23Å; S44-T59 WeakPolarHBondContact O-CA 3.43Å; S44-T59 WeakPolarHBondContact O-CB 3.39Å; T46-T59 PolarHBondContact OG1-N 3.13Å; T46-T59 PolarHBondContact OG1-O 3.29Å; T59-L61 VanDerWaalsContact C-N 3.3Å; T59-L61 PolarHBondContact O-N 3.38Å; T59-G62 PolarHBondContact O-N 2.81Å; T59-R63 HydrophobicContact CG2-CB 4.34Å; T59-R63 PolarHBondContact N-O 3.16Å; T59-R63 WeakPolarHBondContact OG1-CB 3.22Å; T59-R63 PolarHBondContact OG1-N 3.06Å; T59-R63 PolarHBondContact OG1-O 3.24Å; T59-V86 PolarHBondContact O-N 3.35Å
60	Q	94.4	Very high	95	Very high	87 Å²	87	30.4 Å²	30.4	41%	0.407	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-31.9	178.2	-172.9	69.6	16.1	0	0	112.7	D43 S44 T46 G62 P85	D43-Q60 PolarHBondContact OD1-N 3.39Å; S44-Q60 PolarHBondContact O-N 3.35Å; T46-Q60 HydrophobicContact CG2-CB 4.01Å; T46-Q60 VanDerWaalsContact CG2-OE1 3.27Å; Q60-G62 VanDerWaalsContact C-N 3.26Å; Q60-G62 PolarHBondContact O-N 3.08Å; Q60-P85 HydrophobicContact CG-CG 4.39Å; Q60-P85 WeakPolarHBondContact O-CA 3.46Å; Q60-P85 WeakPolarHBondContact O-CD 3.28Å; Q60-P85 WeakPolarHBondContact O-CG 3.17Å
61	L	95.3	Very high	94.8	Very high	92 Å²	92	29.8 Å²	29.8	48%	0.482	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	9.2	176.4	-59	175.5	0	0	0	113.8	D43 T59	D43-L61 HydrophobicContact CB-CD1 4.28Å; D43-L61 WeakPolarHBondContact OD1-CG 3.47Å; D43-L61 PolarHBondContact OD1-N 3.17Å; D43-L61 WeakPolarHBondContact OD2-CB 3.48Å; T59-L61 VanDerWaalsContact C-N 3.3Å; T59-L61 PolarHBondContact O-N 3.38Å
62	G	95	Very high	94.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	80.4	25	177.7	0	0	0	0	0	114.5	T59 Q60 H82 G84	T59-G62 PolarHBondContact O-N 2.81Å; Q60-G62 VanDerWaalsContact C-N 3.26Å; Q60-G62 PolarHBondContact O-N 3.08Å; G62-H82 WeakPolarHBondContact O-CB 3.34Å; G62-G84 WeakPolarHBondContact CA-O 3.22Å; G62-G84 PolarHBondContact N-O 3.05Å
63	R	95.7	Very high	94.7	Very high	87 Å²	87	35.8 Å²	35.8	33%	0.328	18%	0.177	S	C	.	.			trans	-100.1	148.3	177.4	-58	168.8	178.9	170.8	-1	110.1	G58 T59 F78 Y79	G58-R63 CarbonylContact C-O 3.59Å; G58-R63 WeakPolarHBondContact CA-O 3.44Å; T59-R63 HydrophobicContact CG2-CB 4.34Å; T59-R63 PolarHBondContact N-O 3.16Å; T59-R63 WeakPolarHBondContact OG1-CB 3.22Å; T59-R63 PolarHBondContact OG1-N 3.06Å; T59-R63 PolarHBondContact OG1-O 3.24Å; R63-F78 HydrophobicContact CB-CE2 3.96Å; R63-F78 HydrophobicContact CG-CE2 4Å; R63-F78 HydrophobicContact CG-CZ 4.12Å; R63-Y79 CarbonylContact C-O 3.51Å
64	I	96.2	Very high	94.7	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125	172.1	-57.3	165.8	0	0	0	107.2	V57 L66 F78 Y79 V86 I89 S100	V57-I64 CarbonylContact O-C 3.56Å; V57-I64 VanDerWaalsContact O-CA 3.31Å; V57-I64 WeakPolarHBondContact O-CA 2.9Å; I64-L66 HydrophobicContact CG2-CD2 4.42Å; I64-F78 WeakPolarHBondContact O-CA 3.44Å; I64-Y79 HydrophobicContact CB-CD2 4.44Å; I64-Y79 HydrophobicContact CG2-CD2 4.38Å; I64-Y79 PolarHBondContact N-O 3.08Å; I64-Y79 PolarHBondContact O-N 3.26Å; I64-V86 HydrophobicContact CG1-CG1 4.47Å; I64-V86 HydrophobicContact CG1-CG2 4.1Å; I64-I89 HydrophobicContact CG1-CD1 4.38Å; I64-I89 HydrophobicContact CG2-CD1 4.1Å; I64-S100 WeakPolarHBondContact CD1-OG 3.45Å
65	H	96.1	Very high	94.3	Very high	28 Å²	28	41 Å²	41	13%	0.13	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.2	178.8	-64.3	-98.2	0	0	0	109.4	I39 A56 V57 G77 F78	I39-H65 HydrophobicContact CD1-CB 3.64Å; A56-H65 WeakPolarHBondContact CA-O 3.5Å; V57-H65 HydrophobicContact CB-CB 4.48Å; V57-H65 PolarHBondContact N-O 3.37Å; V57-H65 PolarHBondContact O-N 3.02Å; H65-G77 CarbonylContact C-O 3.6Å; H65-G77 WeakPolarHBondContact CA-O 3.33Å; H65-F78 AromaticContact CE1-CD2 3.36Å; H65-F78 WeakPolarHBondContact CE1-CD2 3.43Å; H65-F78 AromaticContact CE1-CE2 3.42Å; H65-F78 VanDerWaalsContact CE1-CE2 3.42Å; H65-F78 WeakPolarHBondContact CE1-CE2 3.46Å; H65-F78 AromaticContact ND1-CD2 3.61Å; H65-F78 AromaticContact NE2-CD2 3.9Å; H65-F78 AromaticContact NE2-CE2 3.66Å
66	L	96	Very high	93.8	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.031	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.4	169.3	-52	-172.7	0	0	0	108.8	F54 I55 A56 I64 V74 G77 Y79 I98 L112	F54-L66 HydrophobicContact CD2-CB 4.49Å; F54-L66 HydrophobicContact CD2-CD1 4.43Å; F54-L66 HydrophobicContact CD2-CD2 3.95Å; F54-L66 HydrophobicContact CE2-CD1 4.41Å; F54-L66 HydrophobicContact CE2-CD2 4.01Å; I55-L66 CarbonylContact O-C 3.58Å; I55-L66 WeakPolarHBondContact O-CA 3.42Å; A56-L66 HydrophobicContact CB-CD2 3.55Å; I64-L66 HydrophobicContact CG2-CD2 4.42Å; L66-V74 HydrophobicContact CB-CB 4.1Å; L66-V74 HydrophobicContact CB-CG2 4.17Å; L66-V74 PolarHBondContact O-N 3.35Å; L66-G77 PolarHBondContact N-O 3.26Å; L66-Y79 HydrophobicContact CD1-CE2 3.99Å; L66-Y79 HydrophobicContact CG-CE2 4.2Å; L66-I98 HydrophobicContact CD1-CD1 4.04Å; L66-I98 HydrophobicContact CD2-CD1 3.53Å; L66-I98 HydrophobicContact CG-CD1 4.43Å; L66-L112 HydrophobicContact CD1-CD1 4.1Å; L66-L112 HydrophobicContact CD1-CD2 3.76Å
67	L	95.6	Very high	93.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	147.2	176.8	-53.7	178.1	0	0	0	109.1	L36 I39 F54 I55 V57 F72 P73	L36-L67 HydrophobicContact CB-CD1 4.43Å; L36-L67 HydrophobicContact CD1-CD1 3.94Å; I39-L67 HydrophobicContact CD1-CD1 4.42Å; I39-L67 HydrophobicContact CD1-CD2 4Å; F54-L67 CarbonylContact C-O 3.46Å; F54-L67 WeakPolarHBondContact CA-O 3.4Å; F54-L67 VanDerWaalsContact CB-O 3.24Å; F54-L67 WeakPolarHBondContact CB-O 3.43Å; I55-L67 HydrophobicContact CB-CB 4.45Å; I55-L67 PolarHBondContact N-O 3.41Å; I55-L67 PolarHBondContact O-N 3.07Å; V57-L67 HydrophobicContact CG2-CD1 4.23Å; L67-F72 CarbonylContact C-O 3.56Å; L67-F72 VanDerWaalsContact CA-O 3.25Å; L67-F72 WeakPolarHBondContact CA-O 3.47Å; L67-P73 HydrophobicContact CD2-CB 4.29Å; L67-P73 HydrophobicContact CD2-CG 4.15Å
68	D	94.3	Very high	93.3	Very high	54 Å²	54	53 Å²	53	29%	0.289	27%	0.267	S	S	.	.			trans	-67.9	172.6	164.1	74.5	10.9	0	0	0	110.9	S70 G71 F72	D68-S70 PolarHBondContact O-N 3.1Å; D68-S70 VanDerWaalsContact O-N 3.12Å; D68-S70 VanDerWaalsContact OD1-CA 3.31Å; D68-S70 WeakPolarHBondContact OD1-CA 3.41Å; D68-S70 WeakPolarHBondContact OD1-CB 3.32Å; D68-S70 PolarHBondContact OD1-N 3Å; D68-G71 PolarHBondContact O-N 3.09Å; D68-G71 PolarHBondContact OD1-N 3.34Å; D68-F72 PolarHBondContact N-O 3.4Å; D68-F72 PolarHBondContact OD1-N 3.25Å
69	H	92.9	Very high	93.1	Very high	52 Å²	52	54.8 Å²	54.8	24%	0.241	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-9.8	-179.8	-69.1	-77.4	0	0	0	114.3	H51 G52 K53 F54 Y374	H51-H69 PolarHBondContact O-CE1 3.48Å; H51-H69 PolarHBondContact O-NE2 3.41Å; G52-H69 VanDerWaalsContact C-NE2 3.26Å; K53-H69 PolarHBondContact N-NE2 2.93Å; F54-H69 PolarHBondContact N-NE2 3.25Å; H69-Y374 WeakPolarHBondContact CB-OH 3.07Å; H69-Y374 AromaticContact ND1-CE2 3.78Å; H69-Y374 AromaticContact ND1-CZ 3.62Å; H69-Y374 PolarHBondContact ND1-OH 3.21Å
70	S	91.2	Very high	92.9	Very high	47 Å²	47	57.1 Å²	57.1	33%	0.329	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-15.8	172.2	-65	0	0	0	0	112.6	H34 D68	H34-S70 PolarHBondContact CD2-O 2.99Å; H34-S70 VanDerWaalsContact CD2-O 3.28Å; D68-S70 PolarHBondContact O-N 3.1Å; D68-S70 VanDerWaalsContact O-N 3.12Å; D68-S70 VanDerWaalsContact OD1-CA 3.31Å; D68-S70 WeakPolarHBondContact OD1-CA 3.41Å; D68-S70 WeakPolarHBondContact OD1-CB 3.32Å; D68-S70 PolarHBondContact OD1-N 3Å
71	G	91.5	Very high	92.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.294	C	S	.	.	S	Bend	trans	101.3	8.5	-178.4	0	0	0	0	0	114.8	G35 D68	G35-G71 WeakPolarHBondContact CA-O 3.41Å; G35-G71 PolarHBondContact N-O 2.96Å; D68-G71 PolarHBondContact O-N 3.09Å; D68-G71 PolarHBondContact OD1-N 3.34Å
72	F	93.6	Very high	92.8	Very high	102 Å²	102	51.3 Å²	51.3	45%	0.447	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-82.7	139.4	174.3	-66.7	-80.4	0	0	0	110.8	H34 L67 D68 V74	H34-F72 HydrophobicContact CB-CD1 4.09Å; H34-F72 HydrophobicContact CB-CE1 3.92Å; H34-F72 HydrophobicContact CB-CE2 4.49Å; H34-F72 HydrophobicContact CB-CG 4.45Å; H34-F72 HydrophobicContact CB-CZ 4.12Å; H34-F72 AromaticContact CD2-CE2 3.38Å; H34-F72 WeakPolarHBondContact CD2-CE2 3.35Å; H34-F72 AromaticContact CD2-CZ 3.42Å; H34-F72 VanDerWaalsContact CD2-CZ 3.42Å; H34-F72 WeakPolarHBondContact CD2-CZ 3.4Å; H34-F72 AromaticContact CE1-CZ 3.82Å; H34-F72 AromaticContact CG-CE1 3.8Å; H34-F72 AromaticContact CG-CE2 3.93Å; H34-F72 AromaticContact CG-CZ 3.53Å; H34-F72 AromaticContact ND1-CZ 3.77Å; H34-F72 AromaticContact NE2-CE2 3.74Å; H34-F72 AromaticContact NE2-CZ 3.63Å; L67-F72 CarbonylContact C-O 3.56Å; L67-F72 VanDerWaalsContact CA-O 3.25Å; L67-F72 WeakPolarHBondContact CA-O 3.47Å; D68-F72 PolarHBondContact N-O 3.4Å; D68-F72 PolarHBondContact OD1-N 3.25Å; F72-V74 PolarHBondContact O-N 3.35Å
73	P	92.9	Very high	92.8	Very high	85 Å²	85	57.2 Å²	57.2	55%	0.552	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.2	132.1	175.9	-22	33.7	0	0	0	112.2	L67	L67-P73 HydrophobicContact CD2-CB 4.29Å; L67-P73 HydrophobicContact CD2-CG 4.15Å
74	V	92.4	Very high	92.7	Very high	52 Å²	52	53.7 Å²	53.7	32%	0.315	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	142.9	173.6	-178.3	0	0	0	0	109.4	F54 L66 F72 N76 G77	F54-V74 HydrophobicContact CB-CG2 4.14Å; L66-V74 HydrophobicContact CB-CB 4.1Å; L66-V74 HydrophobicContact CB-CG2 4.17Å; L66-V74 PolarHBondContact O-N 3.35Å; F72-V74 PolarHBondContact O-N 3.35Å; V74-N76 PolarHBondContact O-N 3.36Å; V74-G77 WeakPolarHBondContact O-CA 3.49Å; V74-G77 PolarHBondContact O-N 3.42Å
75	E	86.5	Confident	92.6	Very high	169 Å²	169	55 Å²	55	79%	0.79	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.7	130.3	176.2	-166.3	-178	171.3	0	0	111.1	G77	E75-G77 PolarHBondContact O-N 3.11Å; E75-G77 VanDerWaalsContact O-N 3.09Å
76	N	85.2	Confident	92.6	Very high	132 Å²	132	53.6 Å²	53.6	71%	0.706	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	57.1	16.9	-174.2	-55.5	-46.9	0	0	0	115.2	V74 F78 Y79	V74-N76 PolarHBondContact O-N 3.36Å; N76-F78 VanDerWaalsContact C-N 3.25Å; N76-F78 PolarHBondContact O-N 3.2Å; N76-Y79 PolarHBondContact O-OH 2.92Å
77	G	89.6	Confident	92.6	Very high	7 Å²	7	55.5 Å²	55.5	7%	0.072	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	21.9	-177.7	0	0	0	0	0	115.6	H65 L66 V74 E75	H65-G77 CarbonylContact C-O 3.6Å; H65-G77 WeakPolarHBondContact CA-O 3.33Å; L66-G77 PolarHBondContact N-O 3.26Å; V74-G77 WeakPolarHBondContact O-CA 3.49Å; V74-G77 PolarHBondContact O-N 3.42Å; E75-G77 PolarHBondContact O-N 3.11Å; E75-G77 VanDerWaalsContact O-N 3.09Å
78	F	92.3	Very high	92.5	Very high	112 Å²	112	56.5 Å²	56.5	49%	0.491	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.6	179.6	175.2	-100.7	0	0	0	111.3	R63 I64 H65 N76	R63-F78 HydrophobicContact CB-CE2 3.96Å; R63-F78 HydrophobicContact CG-CE2 4Å; R63-F78 HydrophobicContact CG-CZ 4.12Å; I64-F78 WeakPolarHBondContact O-CA 3.44Å; H65-F78 AromaticContact CE1-CD2 3.36Å; H65-F78 WeakPolarHBondContact CE1-CD2 3.43Å; H65-F78 AromaticContact CE1-CE2 3.42Å; H65-F78 VanDerWaalsContact CE1-CE2 3.42Å; H65-F78 WeakPolarHBondContact CE1-CE2 3.46Å; H65-F78 AromaticContact ND1-CD2 3.61Å; H65-F78 AromaticContact NE2-CD2 3.9Å; H65-F78 AromaticContact NE2-CE2 3.66Å; N76-F78 VanDerWaalsContact C-N 3.25Å; N76-F78 PolarHBondContact O-N 3.2Å
79	Y	92.9	Very high	92.7	Very high	37 Å²	37	54.9 Å²	54.9	15%	0.145	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	118.7	178.1	-49.9	-80.5	0	0	0	111.3	R63 I64 L66 N76 H110 L112	R63-Y79 CarbonylContact C-O 3.51Å; I64-Y79 HydrophobicContact CB-CD2 4.44Å; I64-Y79 HydrophobicContact CG2-CD2 4.38Å; I64-Y79 PolarHBondContact N-O 3.08Å; I64-Y79 PolarHBondContact O-N 3.26Å; L66-Y79 HydrophobicContact CD1-CE2 3.99Å; L66-Y79 HydrophobicContact CG-CE2 4.2Å; N76-Y79 PolarHBondContact O-OH 2.92Å; Y79-H110 AromaticContact CD1-CE1 3.93Å; Y79-H110 AromaticContact CD1-ND1 3.5Å; Y79-H110 WeakPolarHBondContact CD1-ND1 3.49Å; Y79-H110 AromaticContact CE1-ND1 3.98Å; Y79-H110 AromaticContact CG-CE1 3.7Å; Y79-H110 AromaticContact CG-ND1 3.61Å; Y79-L112 HydrophobicContact CE2-CD2 4.08Å; Y79-L112 WeakPolarHBondContact OH-CD2 3.44Å
80	G	92.2	Very high	92.8	Very high	50 Å²	50	53.4 Å²	53.4	52%	0.515	31%	0.306	S	S	.	.			trans	-115.6	50.1	178.1	0	0	0	0	0	112.5
81	V	92	Very high	93	Very high	49 Å²	49	52.5 Å²	52.5	30%	0.297	30%	0.297	S	S	.	.			trans	-83.5	-35	-178.9	-177.3	0	0	0	0	111.6	V108 V120	V81-V108 HydrophobicContact CB-CG1 4.36Å; V81-V108 HydrophobicContact CB-CG2 4.17Å; V81-V108 HydrophobicContact CG1-CG1 4.21Å; V81-V108 HydrophobicContact CG1-CG2 3.71Å; V81-V108 HydrophobicContact CG2-CG1 4.39Å; V81-V120 HydrophobicContact CG1-CG2 3.94Å
82	H	95.2	Very high	93	Very high	8 Å²	8	52.5 Å²	52.5	4%	0.037	30%	0.298	C	S	.	.			trans	-72.7	142	178.6	-71.4	-79.5	0	0	0	110.9	G62 V86 S100 G102 D104 L106	G62-H82 WeakPolarHBondContact O-CB 3.34Å; H82-V86 HydrophobicContact CB-CG2 4.38Å; H82-S100 WeakPolarHBondContact NE2-CB 3.31Å; H82-S100 PolarHBondContact NE2-OG 3.48Å; H82-G102 PolarHBondContact CE1-N 3.49Å; H82-D104 WeakPolarHBondContact CA-OD2 3.31Å; H82-D104 VanDerWaalsContact CB-OD2 3.26Å; H82-D104 WeakPolarHBondContact CB-OD2 3.4Å; H82-D104 IonicContact CE1-OD1 2.81Å; H82-D104 IonicContact CG-OD2 2.82Å; H82-D104 IonicContact ND1-OD1 2.61Å; H82-D104 PolarHBondContact ND1-OD1 3.31Å; H82-D104 VanDerWaalsContact ND1-OD1 3.09Å; H82-D104 IonicContact ND1-OD2 3.09Å; H82-D104 PolarHBondContact ND1-OD2 3.18Å; H82-D104 VanDerWaalsContact ND1-OD2 3.11Å; H82-L106 PolarHBondContact CE1-O 2.76Å; H82-L106 VanDerWaalsContact CE1-O 3.3Å
83	T	93.8	Very high	92.9	Very high	123 Å²	123	53.4 Å²	53.4	76%	0.755	30%	0.303	S	S	*	.	S	Bend	trans	-97.9	-3.9	176.8	57.1	0	0	0	0	113	D104	T83-D104 PolarHBondContact N-OD2 3.26Å; T83-D104 WeakPolarHBondContact OG1-CB 3.47Å
84	G	93.6	Very high	92.7	Very high	13 Å²	13	52.3 Å²	52.3	13%	0.134	29%	0.291	C	S	.	.	S	Bend	trans	-145.6	-175.6	178.1	0	0	0	0	0	111.8	G62 V86	G62-G84 WeakPolarHBondContact CA-O 3.22Å; G62-G84 PolarHBondContact N-O 3.05Å; G84-V86 PolarHBondContact O-N 3.44Å
85	P	95.3	Very high	92.6	Very high	28 Å²	28	50 Å²	50	18%	0.182	28%	0.277	C	S	.	.			trans	-52.2	133.2	-174.6	-27.8	33.7	0	0	0	113.4	T46 Q60 N87 G102 E103	T46-P85 HydrophobicContact CG2-CB 4.42Å; Q60-P85 HydrophobicContact CG-CG 4.39Å; Q60-P85 WeakPolarHBondContact O-CA 3.46Å; Q60-P85 WeakPolarHBondContact O-CD 3.28Å; Q60-P85 WeakPolarHBondContact O-CG 3.17Å; P85-N87 PolarHBondContact O-N 3.09Å; P85-G102 CarbonylContact O-C 3.51Å; P85-G102 WeakPolarHBondContact O-CA 3.35Å; P85-E103 HydrophobicContact CB-CB 4.46Å; P85-E103 HydrophobicContact CG-CB 4.43Å; P85-E103 PolarHBondContact O-N 3.03Å
86	V	96.7	Very high	92.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	115.4	171.7	-171.8	0	0	0	0	108.5	T46 C47 T59 I64 H82 G84 I89	T46-V86 VanDerWaalsContact CB-O 3.26Å; T46-V86 WeakPolarHBondContact CB-O 3.48Å; T46-V86 PolarHBondContact OG1-O 3.11Å; C47-V86 PolarHBondContact SG-O 3.42Å; T59-V86 PolarHBondContact O-N 3.35Å; I64-V86 HydrophobicContact CG1-CG1 4.47Å; I64-V86 HydrophobicContact CG1-CG2 4.1Å; H82-V86 HydrophobicContact CB-CG2 4.38Å; G84-V86 PolarHBondContact O-N 3.44Å; V86-I89 HydrophobicContact CG1-CD1 4.27Å; V86-I89 HydrophobicContact CG1-CG1 3.89Å
87	N	94.1	Very high	93.1	Very high	46 Å²	46	41.5 Å²	41.5	25%	0.246	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-38.9	-174.7	-72.8	-30.7	0	0	0	112.7	P85 C101 E103 I127	P85-N87 PolarHBondContact O-N 3.09Å; N87-C101 PolarHBondContact N-O 3.42Å; N87-E103 PolarHBondContact ND2-N 3.1Å; N87-E103 PolarHBondContact ND2-OE2 2.95Å; N87-I127 WeakPolarHBondContact CB-O 3.48Å; N87-I127 PolarHBondContact ND2-O 2.94Å
88	A	95.4	Very high	93.3	Very high	20 Å²	20	41.2 Å²	41.2	17%	0.165	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	150.6	177.9	0	0	0	0	0	111.8	S100 C101 V130	A88-S100 WeakPolarHBondContact O-CA 3.43Å; A88-C101 PolarHBondContact N-O 3.4Å; A88-C101 PolarHBondContact O-N 3.03Å; A88-V130 HydrophobicContact CB-CG1 4.2Å
89	I	97	Very high	93.5	Very high	20 Å²	20	35.9 Å²	35.9	10%	0.103	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	135.5	173.5	-63.3	171.4	0	0	0	107.8	A49 A56 I64 V86 I91 I98 A99	A49-I89 HydrophobicContact CB-CB 3.93Å; A49-I89 HydrophobicContact CB-CG2 3.77Å; A56-I89 HydrophobicContact CB-CD1 4.42Å; A56-I89 HydrophobicContact CB-CG2 4.14Å; I64-I89 HydrophobicContact CG1-CD1 4.38Å; I64-I89 HydrophobicContact CG2-CD1 4.1Å; V86-I89 HydrophobicContact CG1-CD1 4.27Å; V86-I89 HydrophobicContact CG1-CG1 3.89Å; I89-I91 HydrophobicContact CG2-CG1 4.4Å; I89-I98 HydrophobicContact CG2-CG2 3.43Å; I89-I98 VanDerWaalsContact CG2-CG2 3.43Å; I89-A99 CarbonylContact C-O 3.51Å; I89-A99 WeakPolarHBondContact CA-O 3.44Å
90	S	96.3	Very high	93.7	Very high	22 Å²	22	34.1 Å²	34.1	15%	0.154	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136	172.8	-176.6	0	0	0	0	109.5	I98 A99 A131 I132	S90-I98 CarbonylContact O-C 3.55Å; S90-I98 WeakPolarHBondContact O-CA 3.31Å; S90-A99 PolarHBondContact N-O 3.46Å; S90-A99 PolarHBondContact O-N 3.21Å; S90-A131 WeakPolarHBondContact OG-CA 3.26Å; S90-I132 PolarHBondContact OG-N 3.16Å
91	I	94.9	Very high	93.9	Very high	27 Å²	27	31.7 Å²	31.7	14%	0.138	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	136.4	-176.4	-52.4	170	0	0	0	108.1	A49 H51 F54 A56 I89 I98	A49-I91 HydrophobicContact CB-CD1 3.7Å; A49-I91 HydrophobicContact CB-CG1 3.96Å; H51-I91 HydrophobicContact CB-CD1 4.07Å; H51-I91 HydrophobicContact CB-CG2 4.09Å; F54-I91 HydrophobicContact CE2-CD1 3.95Å; F54-I91 HydrophobicContact CE2-CG2 4.46Å; F54-I91 HydrophobicContact CZ-CG2 4.16Å; A56-I91 HydrophobicContact CB-CD1 4.21Å; I89-I91 HydrophobicContact CG2-CG1 4.4Å; I91-I98 HydrophobicContact CG1-CG1 4.36Å; I91-I98 HydrophobicContact CG2-CG1 4.47Å
92	S	92	Very high	94	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.007	16%	0.157	C	C	.	.			trans	-62.2	151.6	172.2	60.5	0	0	0	0	111.4	Q94 G95 Y96 F97	S92-Q94 PolarHBondContact O-N 2.99Å; S92-Q94 VanDerWaalsContact O-N 3.13Å; S92-G95 WeakPolarHBondContact O-CA 3.49Å; S92-G95 PolarHBondContact O-N 3.2Å; S92-G95 PolarHBondContact OG-N 2.98Å; S92-Y96 PolarHBondContact OG-N 3.08Å; S92-Y96 VanDerWaalsContact OG-N 3.15Å; S92-F97 PolarHBondContact N-O 3.48Å; S92-F97 PolarHBondContact OG-N 3.05Å; S92-F97 PolarHBondContact OG-O 2.78Å
93	E	89.9	Confident	94	Very high	121 Å²	121	32.5 Å²	32.5	57%	0.565	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-32.2	179.8	-174.4	-179.8	175.1	0	0	113.8	H51 G95 P134	H51-E93 PolarHBondContact NE2-O 3.2Å; E93-G95 VanDerWaalsContact C-N 3.33Å; E93-P134 WeakPolarHBondContact OE2-CB 3.47Å
94	Q	89	Confident	94	Very high	62 Å²	62	28.4 Å²	28.4	29%	0.29	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-9.2	177.8	-55.2	75.6	28	0	0	113	K53 S92 Y96 P134	K53-Q94 PolarHBondContact NZ-O 2.91Å; S92-Q94 PolarHBondContact O-N 2.99Å; S92-Q94 VanDerWaalsContact O-N 3.13Å; Q94-Y96 HydrophobicContact CB-CD2 3.59Å; Q94-Y96 HydrophobicContact CB-CE2 3.79Å; Q94-Y96 HydrophobicContact CB-CG 4.45Å; Q94-P134 PolarHBondContact NE2-O 2.84Å; Q94-P134 PolarHBondContact OE1-O 2.89Å
95	G	90.3	Very high	94	Very high	2 Å²	2	27.8 Å²	27.8	2%	0.021	14%	0.139	C	C	.	.	S	Bend	trans	69.5	27.6	-178.2	0	0	0	0	0	114.6	H51 S92 E93	H51-G95 WeakPolarHBondContact NE2-CA 3.39Å; H51-G95 PolarHBondContact NE2-N 3.28Å; S92-G95 WeakPolarHBondContact O-CA 3.49Å; S92-G95 PolarHBondContact O-N 3.2Å; S92-G95 PolarHBondContact OG-N 2.98Å; E93-G95 VanDerWaalsContact C-N 3.33Å
96	Y	90	Very high	94	Very high	100 Å²	100	27.6 Å²	27.6	39%	0.392	14%	0.136	S	C	.	.	S	Bend	trans	-101.3	-20.6	176.9	-62.5	-48.9	0	0	0	113.7	S92 Q94 L112	S92-Y96 PolarHBondContact OG-N 3.08Å; S92-Y96 VanDerWaalsContact OG-N 3.15Å; Q94-Y96 HydrophobicContact CB-CD2 3.59Å; Q94-Y96 HydrophobicContact CB-CE2 3.79Å; Q94-Y96 HydrophobicContact CB-CG 4.45Å; Y96-L112 WeakPolarHBondContact O-CB 3.38Å; Y96-L112 PolarHBondContact O-N 3.35Å
97	F	92.2	Very high	93.9	Very high	24 Å²	24	27.6 Å²	27.6	11%	0.105	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	140.8	-179.9	-60.3	-88.9	0	0	0	110.9	S92 H110 N111 I132 F136 E137	S92-F97 PolarHBondContact N-O 3.48Å; S92-F97 PolarHBondContact OG-N 3.05Å; S92-F97 PolarHBondContact OG-O 2.78Å; F97-H110 VanDerWaalsContact CA-O 3.29Å; F97-H110 WeakPolarHBondContact CA-O 3.44Å; F97-N111 HydrophobicContact CD1-CB 3.96Å; F97-N111 HydrophobicContact CE1-CB 3.76Å; F97-N111 VanDerWaalsContact CE1-CG 3.43Å; F97-N111 WeakPolarHBondContact CE1-ND2 3.37Å; F97-I132 HydrophobicContact CB-CD1 4.28Å; F97-F136 HydrophobicContact CB-CD1 3.81Å; F97-F136 HydrophobicContact CB-CE1 4.09Å; F97-F136 AromaticContact CD1-CD1 4Å; F97-F136 HydrophobicContact CD1-CD1 4Å; F97-F136 AromaticContact CD1-CE1 3.72Å; F97-F136 HydrophobicContact CD1-CE1 3.72Å; F97-F136 AromaticContact CD2-CD1 3.89Å; F97-F136 HydrophobicContact CD2-CD1 3.89Å; F97-F136 HydrophobicContact CD2-CE1 4.45Å; F97-F136 HydrophobicContact CE1-CE1 4.23Å; F97-F136 HydrophobicContact CE2-CD1 4.47Å; F97-F136 AromaticContact CG-CD1 3.63Å; F97-F136 HydrophobicContact CG-CD1 3.63Å; F97-F136 AromaticContact CG-CE1 3.83Å; F97-F136 HydrophobicContact CG-CE1 3.83Å; F97-E137 HydrophobicContact CE2-CB 4Å; F97-E137 HydrophobicContact CE2-CG 4.1Å
98	I	94.8	Very high	93.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.1	173	-57.3	-178	0	0	0	107.9	F54 A56 L66 I89 S90 I91 I109 H110 L112	F54-I98 HydrophobicContact CE2-CD1 3.71Å; F54-I98 HydrophobicContact CE2-CG1 4.44Å; F54-I98 HydrophobicContact CZ-CD1 3.97Å; F54-I98 HydrophobicContact CZ-CG1 4.37Å; A56-I98 HydrophobicContact CB-CD1 4.43Å; L66-I98 HydrophobicContact CD1-CD1 4.04Å; L66-I98 HydrophobicContact CD2-CD1 3.53Å; L66-I98 HydrophobicContact CG-CD1 4.43Å; I89-I98 HydrophobicContact CG2-CG2 3.43Å; I89-I98 VanDerWaalsContact CG2-CG2 3.43Å; S90-I98 CarbonylContact O-C 3.55Å; S90-I98 WeakPolarHBondContact O-CA 3.31Å; I91-I98 HydrophobicContact CG1-CG1 4.36Å; I91-I98 HydrophobicContact CG2-CG1 4.47Å; I98-I109 CarbonylContact O-C 3.6Å; I98-I109 WeakPolarHBondContact O-CA 3.3Å; I98-H110 HydrophobicContact CB-CB 4.24Å; I98-H110 PolarHBondContact N-O 3.11Å; I98-H110 PolarHBondContact O-N 3.49Å; I98-L112 HydrophobicContact CD1-CD1 3.82Å; I98-L112 HydrophobicContact CD1-CD2 3.98Å; I98-L112 HydrophobicContact CD1-CG 4.31Å; I98-L112 HydrophobicContact CG1-CD1 3.94Å; I98-L112 HydrophobicContact CG1-CD2 4.3Å; I98-L112 HydrophobicContact CG1-CG 4.27Å
99	A	95.7	Very high	93.8	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	133.6	165	0	0	0	0	0	109.1	I89 S90 L107 V108 V130 I132	I89-A99 CarbonylContact C-O 3.51Å; I89-A99 WeakPolarHBondContact CA-O 3.44Å; S90-A99 PolarHBondContact N-O 3.46Å; S90-A99 PolarHBondContact O-N 3.21Å; A99-L107 HydrophobicContact CB-CD1 4.42Å; A99-V108 CarbonylContact C-O 3.56Å; A99-V108 VanDerWaalsContact CA-O 3.24Å; A99-V108 WeakPolarHBondContact CA-O 3.25Å; A99-V130 HydrophobicContact CB-CG1 4.44Å; A99-V130 HydrophobicContact CB-CG2 3.75Å; A99-I132 HydrophobicContact CB-CD1 3.5Å; A99-I132 HydrophobicContact CB-CG1 3.49Å; A99-I132 VanDerWaalsContact CB-CG1 3.49Å
100	S	97.1	Very high	93.5	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	148.4	172.7	60.7	0	0	0	0	110.4	I64 H82 A88 L107 V108 H110	I64-S100 WeakPolarHBondContact CD1-OG 3.45Å; H82-S100 WeakPolarHBondContact NE2-CB 3.31Å; H82-S100 PolarHBondContact NE2-OG 3.48Å; A88-S100 WeakPolarHBondContact O-CA 3.43Å; S100-L107 WeakPolarHBondContact O-CA 3.47Å; S100-V108 PolarHBondContact N-O 2.88Å; S100-V108 PolarHBondContact O-N 3.16Å; S100-H110 PolarHBondContact OG-NE2 3.28Å
101	C	96.3	Very high	93.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	147.2	174.6	69.9	0	0	0	0	111.1	N87 A88 L106 I127 V130	N87-C101 PolarHBondContact N-O 3.42Å; A88-C101 PolarHBondContact N-O 3.4Å; A88-C101 PolarHBondContact O-N 3.03Å; C101-L106 WeakPolarHBondContact CA-O 3.36Å; C101-I127 HydrophobicContact CB-CB 3.77Å; C101-I127 HydrophobicContact CB-CD1 4.46Å; C101-I127 HydrophobicContact CB-CG2 3.42Å; C101-I127 VanDerWaalsContact CB-CG2 3.42Å; C101-V130 HydrophobicContact CB-CB 4.26Å; C101-V130 HydrophobicContact CB-CG1 4.22Å
102	G	95.2	Very high	92.9	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	172.4	-171.3	0	0	0	0	0	115.1	H82 P85 D104 G105 L106 I127	H82-G102 PolarHBondContact CE1-N 3.49Å; P85-G102 CarbonylContact O-C 3.51Å; P85-G102 WeakPolarHBondContact O-CA 3.35Å; G102-D104 WeakPolarHBondContact CA-OD1 3.26Å; G102-D104 PolarHBondContact O-N 3.43Å; G102-G105 PolarHBondContact O-N 3.07Å; G102-G105 VanDerWaalsContact O-N 3.13Å; G102-L106 PolarHBondContact N-O 3.1Å; G102-I127 PolarHBondContact O-N 2.79Å; G102-I127 VanDerWaalsContact O-N 3.12Å
103	E	94.4	Very high	92.4	Very high	74 Å²	74	29.9 Å²	29.9	35%	0.346	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-19.9	175.9	-156.4	62.6	-162	0	0	112.6	P85 N87 G105 P126 K128	P85-E103 HydrophobicContact CB-CB 4.46Å; P85-E103 HydrophobicContact CG-CB 4.43Å; P85-E103 PolarHBondContact O-N 3.03Å; N87-E103 PolarHBondContact ND2-N 3.1Å; N87-E103 PolarHBondContact ND2-OE2 2.95Å; E103-G105 PolarHBondContact O-N 3.11Å; E103-P126 HydrophobicContact CG-CB 4.35Å; E103-P126 WeakPolarHBondContact OE1-CB 3.28Å; E103-K128 IonicContact OE1-NZ 3.76Å; E103-K128 PolarHBondContact OE1-NZ 3.38Å; E103-K128 IonicContact OE2-NZ 3.31Å; E103-K128 PolarHBondContact OE2-NZ 3.49Å
104	D	94.5	Very high	91.8	Very high	37 Å²	37	26.1 Å²	26.1	20%	0.198	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-6	173.7	57.4	6.6	0	0	0	114.1	H82 T83 G102 L106	H82-D104 WeakPolarHBondContact CA-OD2 3.31Å; H82-D104 VanDerWaalsContact CB-OD2 3.26Å; H82-D104 WeakPolarHBondContact CB-OD2 3.4Å; H82-D104 IonicContact CE1-OD1 2.81Å; H82-D104 IonicContact CG-OD2 2.82Å; H82-D104 IonicContact ND1-OD1 2.61Å; H82-D104 PolarHBondContact ND1-OD1 3.31Å; H82-D104 VanDerWaalsContact ND1-OD1 3.09Å; H82-D104 IonicContact ND1-OD2 3.09Å; H82-D104 PolarHBondContact ND1-OD2 3.18Å; H82-D104 VanDerWaalsContact ND1-OD2 3.11Å; T83-D104 PolarHBondContact N-OD2 3.26Å; T83-D104 WeakPolarHBondContact OG1-CB 3.47Å; G102-D104 WeakPolarHBondContact CA-OD1 3.26Å; G102-D104 PolarHBondContact O-N 3.43Å; D104-L106 VanDerWaalsContact C-N 3.27Å; D104-L106 HydrophobicContact CB-CG 4.37Å; D104-L106 PolarHBondContact O-N 3.25Å; D104-L106 WeakPolarHBondContact OD1-CB 3.41Å; D104-L106 PolarHBondContact OD1-N 3.29Å; D104-L106 WeakPolarHBondContact OD2-CD1 3.45Å
105	G	93.3	Very high	90.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	75.8	14.1	-178.3	0	0	0	0	0	114.2	G102 E103 F123 Y125	G102-G105 PolarHBondContact O-N 3.07Å; G102-G105 VanDerWaalsContact O-N 3.13Å; E103-G105 PolarHBondContact O-N 3.11Å; G105-F123 PolarHBondContact O-N 3.24Å; G105-Y125 WeakPolarHBondContact CA-O 3.43Å
106	L	94.7	Very high	90	Very high	24 Å²	24	37.3 Å²	37.3	13%	0.126	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	139.4	172.8	-58.5	-177.8	0	0	0	110.3	H82 C101 G102 D104 V108 V120 N122	H82-L106 PolarHBondContact CE1-O 2.76Å; H82-L106 VanDerWaalsContact CE1-O 3.3Å; C101-L106 WeakPolarHBondContact CA-O 3.36Å; G102-L106 PolarHBondContact N-O 3.1Å; D104-L106 VanDerWaalsContact C-N 3.27Å; D104-L106 HydrophobicContact CB-CG 4.37Å; D104-L106 PolarHBondContact O-N 3.25Å; D104-L106 WeakPolarHBondContact OD1-CB 3.41Å; D104-L106 PolarHBondContact OD1-N 3.29Å; D104-L106 WeakPolarHBondContact OD2-CD1 3.45Å; L106-V108 HydrophobicContact CB-CG2 4.28Å; L106-V120 HydrophobicContact CD2-CG1 4.08Å; L106-N122 HydrophobicContact CD2-CB 3.85Å
107	L	94.7	Very high	89.1	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	122.5	159.2	168.9	78.1	0	0	0	106.7	A99 S100 V120 N121 F123 I127 V130 L142 V144 L152	A99-L107 HydrophobicContact CB-CD1 4.42Å; S100-L107 WeakPolarHBondContact O-CA 3.47Å; L107-V120 WeakPolarHBondContact O-CA 3.4Å; L107-N121 HydrophobicContact CB-CB 4.28Å; L107-N121 HydrophobicContact CD2-CB 4.24Å; L107-N121 PolarHBondContact N-O 3.14Å; L107-N121 PolarHBondContact O-N 3.07Å; L107-F123 HydrophobicContact CB-CD2 4.4Å; L107-F123 HydrophobicContact CB-CE2 4.19Å; L107-F123 HydrophobicContact CD2-CE2 4.22Å; L107-I127 HydrophobicContact CB-CD1 3.93Å; L107-V130 HydrophobicContact CD1-CB 4.38Å; L107-V130 HydrophobicContact CD1-CG2 3.61Å; L107-L142 HydrophobicContact CD1-CD1 4.31Å; L107-L142 HydrophobicContact CD2-CD1 3.71Å; L107-L142 HydrophobicContact CD2-CD2 4.21Å; L107-V144 HydrophobicContact CD1-CG2 3.92Å; L107-V144 HydrophobicContact CD2-CG2 3.85Å; L107-V144 HydrophobicContact CG-CG2 4.37Å; L107-L152 HydrophobicContact CD2-CD1 4.37Å; L107-L152 HydrophobicContact CD2-CD2 4.38Å
108	V	94.7	Very high	88.7	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.1	179.4	-171.6	0	0	0	0	109.3	V81 A99 S100 L106 H110 N118 Q119 V120	V81-V108 HydrophobicContact CB-CG1 4.36Å; V81-V108 HydrophobicContact CB-CG2 4.17Å; V81-V108 HydrophobicContact CG1-CG1 4.21Å; V81-V108 HydrophobicContact CG1-CG2 3.71Å; V81-V108 HydrophobicContact CG2-CG1 4.39Å; A99-V108 CarbonylContact C-O 3.56Å; A99-V108 VanDerWaalsContact CA-O 3.24Å; A99-V108 WeakPolarHBondContact CA-O 3.25Å; S100-V108 PolarHBondContact N-O 2.88Å; S100-V108 PolarHBondContact O-N 3.16Å; L106-V108 HydrophobicContact CB-CG2 4.28Å; V108-H110 WeakPolarHBondContact CG1-CE1 3.35Å; V108-H110 WeakPolarHBondContact CG1-NE2 3.45Å; V108-N118 HydrophobicContact CG1-CB 3.79Å; V108-Q119 CarbonylContact C-O 3.55Å; V108-Q119 WeakPolarHBondContact CA-O 3.36Å; V108-V120 HydrophobicContact CG1-CG2 4.18Å; V108-V120 HydrophobicContact CG2-CG1 4.36Å; V108-V120 HydrophobicContact CG2-CG2 4.3Å
109	I	93.2	Very high	88.3	Confident	11 Å²	11	43 Å²	43	6%	0.056	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	114.9	173	-47.1	168.9	0	0	0	107.7	I98 N118 Q119 F136 L142	I98-I109 CarbonylContact O-C 3.6Å; I98-I109 WeakPolarHBondContact O-CA 3.3Å; I109-N118 WeakPolarHBondContact O-CA 3.49Å; I109-Q119 HydrophobicContact CB-CB 4.18Å; I109-Q119 HydrophobicContact CD1-CB 4.34Å; I109-Q119 PolarHBondContact N-O 3.4Å; I109-Q119 PolarHBondContact O-N 3.31Å; I109-F136 HydrophobicContact CD1-CZ 4Å; I109-F136 HydrophobicContact CG2-CE1 3.91Å; I109-F136 HydrophobicContact CG2-CZ 3.84Å; I109-L142 HydrophobicContact CD1-CD2 3.39Å; I109-L142 HydrophobicContact CG1-CD2 3.8Å
110	H	91.3	Very high	88	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	128.3	176.3	-56.1	-79.5	0	0	0	109.3	Y79 F97 I98 S100 V108 L112 N118	Y79-H110 AromaticContact CD1-CE1 3.93Å; Y79-H110 AromaticContact CD1-ND1 3.5Å; Y79-H110 WeakPolarHBondContact CD1-ND1 3.49Å; Y79-H110 AromaticContact CE1-ND1 3.98Å; Y79-H110 AromaticContact CG-CE1 3.7Å; Y79-H110 AromaticContact CG-ND1 3.61Å; F97-H110 VanDerWaalsContact CA-O 3.29Å; F97-H110 WeakPolarHBondContact CA-O 3.44Å; I98-H110 HydrophobicContact CB-CB 4.24Å; I98-H110 PolarHBondContact N-O 3.11Å; I98-H110 PolarHBondContact O-N 3.49Å; S100-H110 PolarHBondContact OG-NE2 3.28Å; V108-H110 WeakPolarHBondContact CG1-CE1 3.35Å; V108-H110 WeakPolarHBondContact CG1-NE2 3.45Å; H110-L112 HydrophobicContact CB-CD2 4.41Å; H110-N118 PolarHBondContact ND1-ND2 3.33Å; H110-N118 VanDerWaalsContact ND1-ND2 3.2Å; H110-N118 PolarHBondContact ND1-OD1 3.01Å; H110-N118 VanDerWaalsContact ND1-OD1 3.11Å
111	N	89.7	Confident	87.6	Confident	39 Å²	39	48.7 Å²	48.7	21%	0.209	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	111.6	168.1	-176.1	-15	0	0	0	108.2	F97 S113 S114	F97-N111 HydrophobicContact CD1-CB 3.96Å; F97-N111 HydrophobicContact CE1-CB 3.76Å; F97-N111 VanDerWaalsContact CE1-CG 3.43Å; F97-N111 WeakPolarHBondContact CE1-ND2 3.37Å; N111-S113 VanDerWaalsContact C-N 3.3Å; N111-S113 PolarHBondContact OD1-N 3.36Å; N111-S113 PolarHBondContact OD1-OG 3.05Å; N111-S114 WeakPolarHBondContact ND2-CB 3.48Å; N111-S114 PolarHBondContact OD1-N 3.16Å
112	L	88.2	Confident	87.3	Confident	50 Å²	50	53.8 Å²	53.8	26%	0.262	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-17.5	-177.1	-52.4	-177.7	0	0	0	112.9	F54 L66 Y79 Y96 I98 H110	F54-L112 HydrophobicContact CE1-CD1 3.52Å; F54-L112 HydrophobicContact CE2-CD1 4.27Å; F54-L112 HydrophobicContact CZ-CD1 3.33Å; L66-L112 HydrophobicContact CD1-CD1 4.1Å; L66-L112 HydrophobicContact CD1-CD2 3.76Å; Y79-L112 HydrophobicContact CE2-CD2 4.08Å; Y79-L112 WeakPolarHBondContact OH-CD2 3.44Å; Y96-L112 WeakPolarHBondContact O-CB 3.38Å; Y96-L112 PolarHBondContact O-N 3.35Å; I98-L112 HydrophobicContact CD1-CD1 3.82Å; I98-L112 HydrophobicContact CD1-CD2 3.98Å; I98-L112 HydrophobicContact CD1-CG 4.31Å; I98-L112 HydrophobicContact CG1-CD1 3.94Å; I98-L112 HydrophobicContact CG1-CD2 4.3Å; I98-L112 HydrophobicContact CG1-CG 4.27Å; H110-L112 HydrophobicContact CB-CD2 4.41Å
113	S	81.4	Confident	86.8	Confident	83 Å²	83	55.2 Å²	55.2	58%	0.58	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-12.4	-178.8	69.7	0	0	0	0	113.6	N111	N111-S113 VanDerWaalsContact C-N 3.3Å; N111-S113 PolarHBondContact OD1-N 3.36Å; N111-S113 PolarHBondContact OD1-OG 3.05Å
114	S	76.7	Confident	86.3	Confident	43 Å²	43	59.6 Å²	59.6	30%	0.301	33%	0.325	S	S	.	.			trans	-129	147.3	-171.1	-169.5	0	0	0	0	111.4	N111 L116	N111-S114 WeakPolarHBondContact ND2-CB 3.48Å; N111-S114 PolarHBondContact OD1-N 3.16Å; S114-L116 PolarHBondContact O-N 3.19Å; S114-L116 WeakPolarHBondContact OG-CB 3.22Å; S114-L116 WeakPolarHBondContact OG-CD1 3.38Å; S114-L116 VanDerWaalsContact OG-CG 3.3Å; S114-L116 WeakPolarHBondContact OG-CG 3.34Å; S114-L116 PolarHBondContact OG-N 3.42Å
115	I	70.2	Confident	86	Confident	179 Å²	179	64.3 Å²	64.3	92%	0.918	34%	0.341	S	S	*	.			trans	-80.3	-2.8	173.5	-52.7	162.8	0	0	0	110.6
116	L	70.9	Confident	86	Confident	120 Å²	120	66.7 Å²	66.7	63%	0.628	36%	0.357	S	S	*	.	S	Bend	trans	-59.8	146.1	177.9	-73.9	169.4	0	0	0	111.5	S114	S114-L116 PolarHBondContact O-N 3.19Å; S114-L116 WeakPolarHBondContact OG-CB 3.22Å; S114-L116 WeakPolarHBondContact OG-CD1 3.38Å; S114-L116 VanDerWaalsContact OG-CG 3.3Å; S114-L116 WeakPolarHBondContact OG-CG 3.34Å; S114-L116 PolarHBondContact OG-N 3.42Å
117	P	73.2	Confident	86	Confident	116 Å²	116	65.6 Å²	65.6	75%	0.753	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-62.1	144.7	-178.6	26.2	-34.4	0	0	0	111.5
118	N	82.3	Confident	85.8	Confident	46 Å²	46	68.1 Å²	68.1	25%	0.246	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-55.7	140.5	175.3	-57.7	-38.5	0	0	0	110.6	V108 I109 H110	V108-N118 HydrophobicContact CG1-CB 3.79Å; I109-N118 WeakPolarHBondContact O-CA 3.49Å; H110-N118 PolarHBondContact ND1-ND2 3.33Å; H110-N118 VanDerWaalsContact ND1-ND2 3.2Å; H110-N118 PolarHBondContact ND1-OD1 3.01Å; H110-N118 VanDerWaalsContact ND1-OD1 3.11Å
119	Q	86.9	Confident	85.8	Confident	81 Å²	81	68.2 Å²	68.2	38%	0.379	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	123.1	173.7	-56	-176	28.6	0	0	108.6	V108 I109	V108-Q119 CarbonylContact C-O 3.55Å; V108-Q119 WeakPolarHBondContact CA-O 3.36Å; I109-Q119 HydrophobicContact CB-CB 4.18Å; I109-Q119 HydrophobicContact CD1-CB 4.34Å; I109-Q119 PolarHBondContact N-O 3.4Å; I109-Q119 PolarHBondContact O-N 3.31Å
120	V	88.9	Confident	86	Confident	70 Å²	70	68 Å²	68	42%	0.424	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122.1	-177.5	-175.6	0	0	0	0	109.4	V81 L106 L107 V108	V81-V120 HydrophobicContact CG1-CG2 3.94Å; L106-V120 HydrophobicContact CD2-CG1 4.08Å; L107-V120 WeakPolarHBondContact O-CA 3.4Å; V108-V120 HydrophobicContact CG1-CG2 4.18Å; V108-V120 HydrophobicContact CG2-CG1 4.36Å; V108-V120 HydrophobicContact CG2-CG2 4.3Å
121	N	88.6	Confident	86.2	Confident	50 Å²	50	68.1 Å²	68.1	27%	0.267	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.2	173.4	-68.8	-22	0	0	0	109.2	L107 F123	L107-N121 HydrophobicContact CB-CB 4.28Å; L107-N121 HydrophobicContact CD2-CB 4.24Å; L107-N121 PolarHBondContact N-O 3.14Å; L107-N121 PolarHBondContact O-N 3.07Å; N121-F123 HydrophobicContact CB-CD2 4.47Å; N121-F123 HydrophobicContact CB-CE2 3.99Å
122	N	89.8	Confident	86.5	Confident	107 Å²	107	66.5 Å²	66.5	57%	0.572	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	120	-179.9	-174.5	-21.7	0	0	0	110.3	L106 Q124	L106-N122 HydrophobicContact CD2-CB 3.85Å; N122-Q124 PolarHBondContact OD1-N 3.38Å
123	F	85.4	Confident	86.7	Confident	29 Å²	29	64.1 Å²	64.1	13%	0.127	34%	0.341	C	S	.	.			trans	-98.9	0.9	-178	-79.4	-99.1	0	0	0	113.9	G105 L107 N121 Y125 I127 F146 Y150 L152 H162	G105-F123 PolarHBondContact O-N 3.24Å; L107-F123 HydrophobicContact CB-CD2 4.4Å; L107-F123 HydrophobicContact CB-CE2 4.19Å; L107-F123 HydrophobicContact CD2-CE2 4.22Å; N121-F123 HydrophobicContact CB-CD2 4.47Å; N121-F123 HydrophobicContact CB-CE2 3.99Å; F123-Y125 VanDerWaalsContact O-CD2 3.23Å; F123-Y125 WeakPolarHBondContact O-CD2 3.31Å; F123-Y125 PolarHBondContact O-N 3.01Å; F123-I127 HydrophobicContact CB-CD1 4.03Å; F123-I127 HydrophobicContact CB-CG1 4.25Å; F123-I127 HydrophobicContact CD2-CD1 3.67Å; F123-I127 HydrophobicContact CE2-CD1 4.43Å; F123-I127 HydrophobicContact CG-CD1 4.05Å; F123-F146 HydrophobicContact CD1-CE1 4.02Å; F123-F146 HydrophobicContact CD1-CZ 4.23Å; F123-F146 HydrophobicContact CE1-CE1 4.49Å; F123-Y150 HydrophobicContact CE1-CD2 4.27Å; F123-L152 HydrophobicContact CE2-CD2 4.44Å; F123-L152 HydrophobicContact CZ-CD1 3.87Å; F123-L152 HydrophobicContact CZ-CD2 3.96Å; F123-L152 HydrophobicContact CZ-CG 4.35Å; F123-H162 AromaticContact CE1-ND1 3.81Å; F123-H162 AromaticContact CZ-CE1 3.74Å; F123-H162 AromaticContact CZ-ND1 3.73Å
124	Q	84.4	Confident	87.1	Confident	166 Å²	166	61.2 Å²	61.2	78%	0.776	32%	0.321	S	S	*	.	S	Bend	trans	60	-13	-176.7	-56.8	-178.9	-10.5	0	0	116.1	N122	N122-Q124 PolarHBondContact OD1-N 3.38Å
125	Y	88.4	Confident	87.6	Confident	136 Å²	136	62.9 Å²	62.9	53%	0.533	33%	0.326	S	S	.	.	S	Bend	trans	-117	145	177.4	-60.4	-75.6	0	0	0	110.1	G105 F123 I127 F146	G105-Y125 WeakPolarHBondContact CA-O 3.43Å; F123-Y125 VanDerWaalsContact O-CD2 3.23Å; F123-Y125 WeakPolarHBondContact O-CD2 3.31Å; F123-Y125 PolarHBondContact O-N 3.01Å; Y125-I127 PolarHBondContact O-N 3.18Å; Y125-F146 HydrophobicContact CD2-CE2 4.47Å
126	P	92.2	Very high	88.5	Confident	51 Å²	51	54.4 Å²	54.4	33%	0.331	28%	0.283	S	S	.	.			trans	-52.6	126.8	174.5	-27.2	34.7	0	0	0	111.9	E103 F146	E103-P126 HydrophobicContact CG-CB 4.35Å; E103-P126 WeakPolarHBondContact OE1-CB 3.28Å; P126-F146 WeakPolarHBondContact O-CB 3.25Å
127	I	94.2	Very high	89.2	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.278	C	S	.	.			trans	-97.8	127.1	179.2	-56.9	174.7	0	0	0	108.1	N87 C101 G102 L107 F123 Y125 V144	N87-I127 WeakPolarHBondContact CB-O 3.48Å; N87-I127 PolarHBondContact ND2-O 2.94Å; C101-I127 HydrophobicContact CB-CB 3.77Å; C101-I127 HydrophobicContact CB-CD1 4.46Å; C101-I127 HydrophobicContact CB-CG2 3.42Å; C101-I127 VanDerWaalsContact CB-CG2 3.42Å; G102-I127 PolarHBondContact O-N 2.79Å; G102-I127 VanDerWaalsContact O-N 3.12Å; L107-I127 HydrophobicContact CB-CD1 3.93Å; F123-I127 HydrophobicContact CB-CD1 4.03Å; F123-I127 HydrophobicContact CB-CG1 4.25Å; F123-I127 HydrophobicContact CD2-CD1 3.67Å; F123-I127 HydrophobicContact CE2-CD1 4.43Å; F123-I127 HydrophobicContact CG-CD1 4.05Å; Y125-I127 PolarHBondContact O-N 3.18Å; I127-V144 HydrophobicContact CB-CG1 4.45Å; I127-V144 HydrophobicContact CD1-CG1 4.07Å; I127-V144 HydrophobicContact CG1-CG1 4.26Å; I127-V144 HydrophobicContact CG2-CG1 3.37Å
128	K	91.6	Very high	89.8	Confident	54 Å²	54	57.2 Å²	57.2	24%	0.235	28%	0.28	C	S	.	.			trans	-100.1	-32.5	-173.3	-62.9	-61.5	178	-176.5	0	113.2	E103 G145 L171 V172	E103-K128 IonicContact OE1-NZ 3.76Å; E103-K128 PolarHBondContact OE1-NZ 3.38Å; E103-K128 IonicContact OE2-NZ 3.31Å; E103-K128 PolarHBondContact OE2-NZ 3.49Å; K128-G145 PolarHBondContact N-O 3.5Å; K128-G145 VanDerWaalsContact N-O 3.14Å; K128-L171 HydrophobicContact CG-CD1 4.2Å; K128-L171 HydrophobicContact CG-CD2 4.18Å; K128-L171 HydrophobicContact CG-CG 4.28Å; K128-V172 VanDerWaalsContact CB-O 3.23Å; K128-V172 WeakPolarHBondContact CB-O 3.33Å
129	A	95	Very high	90.1	Very high	2 Å²	2	56.1 Å²	56.1	2%	0.017	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	148.7	-178.1	0	0	0	0	0	112.2	G145 V172 I175	A129-G145 PolarHBondContact N-O 3.26Å; A129-G145 VanDerWaalsContact N-O 3.16Å; A129-G145 PolarHBondContact O-N 2.87Å; A129-V172 HydrophobicContact CB-CG1 4.25Å; A129-I175 HydrophobicContact CB-CB 4.33Å; A129-I175 HydrophobicContact CB-CD1 3.76Å; A129-I175 HydrophobicContact CB-CG1 3.71Å
130	V	96.6	Very high	90.2	Very high	6 Å²	6	54.9 Å²	54.9	4%	0.036	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	143.8	175.2	63.4	0	0	0	0	109.8	A88 A99 C101 L107 L142 V143 V144	A88-V130 HydrophobicContact CB-CG1 4.2Å; A99-V130 HydrophobicContact CB-CG1 4.44Å; A99-V130 HydrophobicContact CB-CG2 3.75Å; C101-V130 HydrophobicContact CB-CB 4.26Å; C101-V130 HydrophobicContact CB-CG1 4.22Å; L107-V130 HydrophobicContact CD1-CB 4.38Å; L107-V130 HydrophobicContact CD1-CG2 3.61Å; V130-L142 HydrophobicContact CG2-CD1 4.46Å; V130-V143 CarbonylContact C-O 3.6Å; V130-V143 VanDerWaalsContact CA-O 3.32Å; V130-V143 WeakPolarHBondContact CA-O 3.29Å; V130-V144 HydrophobicContact CG2-CG2 4.39Å
131	A	96.5	Very high	90.3	Very high	2 Å²	2	53.4 Å²	53.4	2%	0.017	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	124.5	169.5	0	0	0	0	0	111	S90 L142 V143 I175 W177	S90-A131 WeakPolarHBondContact OG-CA 3.26Å; A131-L142 CarbonylContact O-C 3.56Å; A131-L142 WeakPolarHBondContact O-CA 3.48Å; A131-L142 WeakPolarHBondContact O-CB 3.47Å; A131-V143 PolarHBondContact N-O 2.9Å; A131-V143 PolarHBondContact O-N 3.24Å; A131-I175 HydrophobicContact CB-CB 4Å; A131-I175 HydrophobicContact CB-CG2 3.48Å; A131-I175 VanDerWaalsContact CB-CG2 3.48Å; A131-W177 HydrophobicContact CB-CB 3.9Å
132	I	95.1	Very high	90.6	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	142.5	172.1	-82.6	-173.8	0	0	0	109.7	S90 F97 A99 F136 L142	S90-I132 PolarHBondContact OG-N 3.16Å; F97-I132 HydrophobicContact CB-CD1 4.28Å; A99-I132 HydrophobicContact CB-CD1 3.5Å; A99-I132 HydrophobicContact CB-CG1 3.49Å; A99-I132 VanDerWaalsContact CB-CG1 3.49Å; I132-F136 HydrophobicContact CG2-CB 3.58Å; I132-F136 HydrophobicContact CG2-CD2 4.28Å; I132-F136 HydrophobicContact CG2-CG 3.92Å; I132-L142 HydrophobicContact CG1-CB 4.42Å
133	A	93.1	Very high	90.8	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.222	C	C	.	.			trans	-65.6	143.3	171.6	0	0	0	0	0	111.8	D135 F136 N141 W177	A133-D135 WeakPolarHBondContact CB-OD1 3.46Å; A133-D135 PolarHBondContact O-N 3.41Å; A133-D135 VanDerWaalsContact O-N 3.13Å; A133-F136 VanDerWaalsContact O-CB 3.27Å; A133-F136 WeakPolarHBondContact O-CB 3.16Å; A133-F136 PolarHBondContact O-N 2.86Å; A133-N141 HydrophobicContact CB-CB 4.09Å; A133-N141 WeakPolarHBondContact CB-O 3.39Å; A133-N141 PolarHBondContact N-O 3.13Å; A133-W177 HydrophobicContact CB-CD2 4.14Å; A133-W177 HydrophobicContact CB-CE3 4.01Å; A133-W177 HydrophobicContact CB-CH2 3.51Å; A133-W177 HydrophobicContact CB-CZ2 3.55Å; A133-W177 HydrophobicContact CB-CZ3 3.7Å
134	P	88.6	Confident	91.3	Very high	22 Å²	22	44.7 Å²	44.7	14%	0.143	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-33.8	175	-24.3	32.1	0	0	0	113.4	E93 Q94	E93-P134 WeakPolarHBondContact OE2-CB 3.47Å; Q94-P134 PolarHBondContact NE2-O 2.84Å; Q94-P134 PolarHBondContact OE1-O 2.89Å
135	D	87.7	Confident	91.7	Very high	77 Å²	77	36.8 Å²	36.8	41%	0.412	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	24.9	-179.8	75.3	-23.4	0	0	0	113.6	A133 E137 K138 S139	A133-D135 WeakPolarHBondContact CB-OD1 3.46Å; A133-D135 PolarHBondContact O-N 3.41Å; A133-D135 VanDerWaalsContact O-N 3.13Å; D135-E137 PolarHBondContact O-N 3.36Å; D135-K138 WeakPolarHBondContact O-CA 3.44Å; D135-K138 PolarHBondContact O-N 3.07Å; D135-S139 PolarHBondContact O-N 3.42Å; D135-S139 PolarHBondContact O-OG 3.25Å; D135-S139 VanDerWaalsContact OD1-CB 3.3Å; D135-S139 WeakPolarHBondContact OD1-CB 3.17Å; D135-S139 PolarHBondContact OD1-OG 3.17Å; D135-S139 WeakPolarHBondContact OD2-CB 3.31Å
136	F	90	Very high	91.8	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.009	16%	0.156	C	C	.	.	H	α-helix	trans	-49.9	-35.8	-171.4	179.8	-100.1	0	0	0	114.8	F97 I109 I132 A133 K138 S139 N140 N141 L142	F97-F136 HydrophobicContact CB-CD1 3.81Å; F97-F136 HydrophobicContact CB-CE1 4.09Å; F97-F136 AromaticContact CD1-CD1 4Å; F97-F136 HydrophobicContact CD1-CD1 4Å; F97-F136 AromaticContact CD1-CE1 3.72Å; F97-F136 HydrophobicContact CD1-CE1 3.72Å; F97-F136 AromaticContact CD2-CD1 3.89Å; F97-F136 HydrophobicContact CD2-CD1 3.89Å; F97-F136 HydrophobicContact CD2-CE1 4.45Å; F97-F136 HydrophobicContact CE1-CE1 4.23Å; F97-F136 HydrophobicContact CE2-CD1 4.47Å; F97-F136 AromaticContact CG-CD1 3.63Å; F97-F136 HydrophobicContact CG-CD1 3.63Å; F97-F136 AromaticContact CG-CE1 3.83Å; F97-F136 HydrophobicContact CG-CE1 3.83Å; I109-F136 HydrophobicContact CD1-CZ 4Å; I109-F136 HydrophobicContact CG2-CE1 3.91Å; I109-F136 HydrophobicContact CG2-CZ 3.84Å; I132-F136 HydrophobicContact CG2-CB 3.58Å; I132-F136 HydrophobicContact CG2-CD2 4.28Å; I132-F136 HydrophobicContact CG2-CG 3.92Å; A133-F136 VanDerWaalsContact O-CB 3.27Å; A133-F136 WeakPolarHBondContact O-CB 3.16Å; A133-F136 PolarHBondContact O-N 2.86Å; F136-K138 PolarHBondContact O-N 3.18Å; F136-S139 PolarHBondContact O-N 3.28Å; F136-N140 VanDerWaalsContact O-CA 3.28Å; F136-N140 WeakPolarHBondContact O-CA 3.38Å; F136-N140 PolarHBondContact O-N 3.43Å; F136-N141 VanDerWaalsContact CD2-O 3.28Å; F136-N141 WeakPolarHBondContact CD2-O 3.44Å; F136-L142 HydrophobicContact CE2-CB 4.42Å; F136-L142 HydrophobicContact CE2-CD2 4.03Å
137	E	85.1	Confident	91.7	Very high	113 Å²	113	32.8 Å²	32.8	53%	0.528	16%	0.164	S	C	.	.	H	α-helix	trans	-55.5	-35.4	176.2	-172.2	177.7	-174.7	0	0	112.5	F97 D135	F97-E137 HydrophobicContact CE2-CB 4Å; F97-E137 HydrophobicContact CE2-CG 4.1Å; D135-E137 PolarHBondContact O-N 3.36Å
138	K	86.3	Confident	91.6	Very high	182 Å²	182	36.2 Å²	36.2	79%	0.791	18%	0.178	S	C	*	.	H	α-helix	trans	-92.1	-47.2	178.6	-62.5	176.5	-177	170.3	0	111.7	D135 F136	D135-K138 WeakPolarHBondContact O-CA 3.44Å; D135-K138 PolarHBondContact O-N 3.07Å; F136-K138 PolarHBondContact O-N 3.18Å
139	S	87.4	Confident	91.7	Very high	22 Å²	22	33.7 Å²	33.7	15%	0.154	17%	0.167	C	C	.	.	H	α-helix	trans	-83.9	-26.5	-170.2	65.8	0	0	0	0	113.6	D135 F136 N141	D135-S139 PolarHBondContact O-N 3.42Å; D135-S139 PolarHBondContact O-OG 3.25Å; D135-S139 VanDerWaalsContact OD1-CB 3.3Å; D135-S139 WeakPolarHBondContact OD1-CB 3.17Å; D135-S139 PolarHBondContact OD1-OG 3.17Å; D135-S139 WeakPolarHBondContact OD2-CB 3.31Å; F136-S139 PolarHBondContact O-N 3.28Å; S139-N141 PolarHBondContact O-N 2.86Å; S139-N141 PolarHBondContact O-OD1 2.99Å; S139-N141 PolarHBondContact OG-N 3.38Å
140	N	88.3	Confident	91.6	Very high	56 Å²	56	35.9 Å²	35.9	30%	0.299	18%	0.175	S	C	.	.			trans	49	31.5	-165.9	-75.5	-64.8	0	0	0	112.9	F136 K154	F136-N140 VanDerWaalsContact O-CA 3.28Å; F136-N140 WeakPolarHBondContact O-CA 3.38Å; F136-N140 PolarHBondContact O-N 3.43Å; N140-K154 HydrophobicContact CB-CB 3.96Å
141	N	91.6	Very high	91.4	Very high	39 Å²	39	36.8 Å²	36.8	21%	0.209	18%	0.18	C	C	.	.			trans	-98.8	133.9	-177.2	-70	-20.4	0	0	0	111.7	A133 F136 S139 L151 L152 S153 W177	A133-N141 HydrophobicContact CB-CB 4.09Å; A133-N141 WeakPolarHBondContact CB-O 3.39Å; A133-N141 PolarHBondContact N-O 3.13Å; F136-N141 VanDerWaalsContact CD2-O 3.28Å; F136-N141 WeakPolarHBondContact CD2-O 3.44Å; S139-N141 PolarHBondContact O-N 2.86Å; S139-N141 PolarHBondContact O-OD1 2.99Å; S139-N141 PolarHBondContact OG-N 3.38Å; N141-L151 HydrophobicContact CB-CD1 4.22Å; N141-L152 VanDerWaalsContact CA-O 3.3Å; N141-L152 WeakPolarHBondContact CA-O 3.37Å; N141-S153 VanDerWaalsContact OD1-CA 3.29Å; N141-S153 WeakPolarHBondContact OD1-CA 3.48Å; N141-S153 WeakPolarHBondContact OD1-CB 3.39Å; N141-W177 HydrophobicContact CB-CH2 3.72Å; N141-W177 HydrophobicContact CB-CZ3 4.3Å
142	L	94.8	Very high	91.1	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	159.2	170.4	65.5	83.3	0	0	0	110.1	L107 I109 V130 A131 I132 F136 V144 L152	L107-L142 HydrophobicContact CD1-CD1 4.31Å; L107-L142 HydrophobicContact CD2-CD1 3.71Å; L107-L142 HydrophobicContact CD2-CD2 4.21Å; I109-L142 HydrophobicContact CD1-CD2 3.39Å; I109-L142 HydrophobicContact CG1-CD2 3.8Å; V130-L142 HydrophobicContact CG2-CD1 4.46Å; A131-L142 CarbonylContact O-C 3.56Å; A131-L142 WeakPolarHBondContact O-CA 3.48Å; A131-L142 WeakPolarHBondContact O-CB 3.47Å; I132-L142 HydrophobicContact CG1-CB 4.42Å; F136-L142 HydrophobicContact CE2-CB 4.42Å; F136-L142 HydrophobicContact CE2-CD2 4.03Å; L142-V144 HydrophobicContact CD1-CG2 3.54Å; L142-L152 HydrophobicContact CD1-CB 4.03Å; L142-L152 HydrophobicContact CD1-CD1 3.55Å; L142-L152 HydrophobicContact CD1-CG 4.31Å; L142-L152 HydrophobicContact CG-CB 4.2Å; L142-L152 PolarHBondContact N-O 3.08Å; L142-L152 PolarHBondContact O-N 3.33Å
143	V	95.4	Very high	90.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	138.8	178.6	-176.9	0	0	0	0	110.2	V130 A131 I149 Y150 L151 L165 I175 W177 I182	V130-V143 CarbonylContact C-O 3.6Å; V130-V143 VanDerWaalsContact CA-O 3.32Å; V130-V143 WeakPolarHBondContact CA-O 3.29Å; A131-V143 PolarHBondContact N-O 2.9Å; A131-V143 PolarHBondContact O-N 3.24Å; V143-I149 HydrophobicContact CG1-CD1 3.71Å; V143-I149 HydrophobicContact CG1-CG1 3.4Å; V143-Y150 CarbonylContact C-O 3.49Å; V143-Y150 VanDerWaalsContact CA-O 3.3Å; V143-Y150 WeakPolarHBondContact CA-O 3.31Å; V143-L151 HydrophobicContact CG2-CD1 3.94Å; V143-L165 HydrophobicContact CG1-CD1 4.03Å; V143-L165 HydrophobicContact CG2-CD1 3.92Å; V143-I175 HydrophobicContact CB-CG2 4.5Å; V143-I175 HydrophobicContact CG1-CD1 4.01Å; V143-I175 HydrophobicContact CG1-CG2 4.38Å; V143-W177 HydrophobicContact CG2-CE3 3.76Å; V143-W177 HydrophobicContact CG2-CH2 4.46Å; V143-W177 HydrophobicContact CG2-CZ3 3.58Å; V143-I182 HydrophobicContact CG2-CD1 3.76Å; V143-I182 HydrophobicContact CG2-CG1 4.48Å
144	V	95.1	Very high	89.7	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.6	177.4	178.1	0	0	0	0	110	L107 I127 V130 L142 F146 I149 Y150 L152	L107-V144 HydrophobicContact CD1-CG2 3.92Å; L107-V144 HydrophobicContact CD2-CG2 3.85Å; L107-V144 HydrophobicContact CG-CG2 4.37Å; I127-V144 HydrophobicContact CB-CG1 4.45Å; I127-V144 HydrophobicContact CD1-CG1 4.07Å; I127-V144 HydrophobicContact CG1-CG1 4.26Å; I127-V144 HydrophobicContact CG2-CG1 3.37Å; V130-V144 HydrophobicContact CG2-CG2 4.39Å; L142-V144 HydrophobicContact CD1-CG2 3.54Å; V144-F146 HydrophobicContact CG1-CD1 4.17Å; V144-F146 HydrophobicContact CG1-CE1 4.35Å; V144-I149 WeakPolarHBondContact O-CA 3.47Å; V144-Y150 PolarHBondContact N-O 2.89Å; V144-Y150 PolarHBondContact O-N 3.01Å; V144-L152 HydrophobicContact CB-CD1 4.04Å; V144-L152 HydrophobicContact CG2-CD1 3.47Å; V144-L152 VanDerWaalsContact CG2-CD1 3.47Å
145	G	93.1	Very high	88.3	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.4	-178.5	0	0	0	0	0	113.2	K128 A129 K148	K128-G145 PolarHBondContact N-O 3.5Å; K128-G145 VanDerWaalsContact N-O 3.14Å; A129-G145 PolarHBondContact N-O 3.26Å; A129-G145 VanDerWaalsContact N-O 3.16Å; A129-G145 PolarHBondContact O-N 2.87Å; G145-K148 WeakPolarHBondContact CA-O 3.29Å
146	F	90.9	Very high	86.7	Confident	13 Å²	13	48.5 Å²	48.5	6%	0.057	24%	0.243	C	C	.	.	S	Bend	trans	-150	-119.3	167.5	52.7	-79.9	0	0	0	108.3	F123 Y125 P126 V144 K148 Y150 V172	F123-F146 HydrophobicContact CD1-CE1 4.02Å; F123-F146 HydrophobicContact CD1-CZ 4.23Å; F123-F146 HydrophobicContact CE1-CE1 4.49Å; Y125-F146 HydrophobicContact CD2-CE2 4.47Å; P126-F146 WeakPolarHBondContact O-CB 3.25Å; V144-F146 HydrophobicContact CG1-CD1 4.17Å; V144-F146 HydrophobicContact CG1-CE1 4.35Å; F146-K148 HydrophobicContact CE2-CB 4.39Å; F146-K148 HydrophobicContact CZ-CB 4.39Å; F146-K148 PolarHBondContact N-O 2.81Å; F146-K148 PolarHBondContact O-N 3.47Å; F146-Y150 AromaticContact CE1-CD2 3.87Å; F146-Y150 HydrophobicContact CE1-CD2 3.87Å; F146-Y150 HydrophobicContact CE1-CE2 4.13Å; F146-Y150 AromaticContact CZ-CD2 3.91Å; F146-Y150 HydrophobicContact CZ-CD2 3.91Å; F146-Y150 AromaticContact CZ-CE2 3.67Å; F146-Y150 HydrophobicContact CZ-CE2 3.67Å; F146-V172 WeakPolarHBondContact O-CB 3.37Å; F146-V172 WeakPolarHBondContact O-CG2 3.48Å; F146-V172 PolarHBondContact O-N 3.41Å
147	N	89.5	Confident	84.9	Confident	91 Å²	91	57.8 Å²	57.8	49%	0.487	28%	0.284	S	S	.	.	S	Bend	trans	-76.9	-0.9	169.6	74.9	-3.8	0	0	0	113.5	V168	N147-V168 WeakPolarHBondContact O-CG2 3.27Å
148	K	91.3	Very high	83.4	Confident	72 Å²	72	56.7 Å²	56.7	31%	0.313	29%	0.285	S	S	.	.	S	Bend	trans	-145.1	164.5	174.9	-72.1	-173.3	168.3	-143.1	0	108.9	G145 F146 Y150 E164	G145-K148 WeakPolarHBondContact CA-O 3.29Å; F146-K148 HydrophobicContact CE2-CB 4.39Å; F146-K148 HydrophobicContact CZ-CB 4.39Å; F146-K148 PolarHBondContact N-O 2.81Å; F146-K148 PolarHBondContact O-N 3.47Å; K148-Y150 HydrophobicContact CB-CD2 4.37Å; K148-Y150 HydrophobicContact CB-CE2 3.92Å; K148-Y150 HydrophobicContact CD-CE2 3.96Å; K148-Y150 WeakPolarHBondContact CD-OH 3.39Å; K148-E164 IonicContact NZ-OE2 3.11Å; K148-E164 PolarHBondContact NZ-OE2 2.9Å
149	I	93.5	Very high	82.3	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	116.5	173.5	-167.9	169	0	0	0	110.1	V143 V144 E164 L165 A166 V168 I175 W184	V143-I149 HydrophobicContact CG1-CD1 3.71Å; V143-I149 HydrophobicContact CG1-CG1 3.4Å; V144-I149 WeakPolarHBondContact O-CA 3.47Å; I149-E164 WeakPolarHBondContact O-CA 3.42Å; I149-L165 HydrophobicContact CD1-CD1 4.48Å; I149-L165 HydrophobicContact CG1-CD1 4.39Å; I149-L165 HydrophobicContact CG2-CB 4.19Å; I149-L165 PolarHBondContact O-N 3.38Å; I149-L165 VanDerWaalsContact O-N 3.12Å; I149-A166 WeakPolarHBondContact CG2-O 3.38Å; I149-V168 HydrophobicContact CB-CG1 3.9Å; I149-V168 HydrophobicContact CG2-CG1 3.64Å; I149-I175 HydrophobicContact CD1-CD1 4.4Å; I149-W184 HydrophobicContact CD1-CB 4.05Å; I149-W184 HydrophobicContact CD1-CD2 3.35Å; I149-W184 HydrophobicContact CD1-CE3 3.41Å; I149-W184 VanDerWaalsContact CD1-CE3 3.41Å; I149-W184 HydrophobicContact CD1-CG 3.67Å; I149-W184 HydrophobicContact CD1-CH2 4.36Å; I149-W184 HydrophobicContact CD1-CZ2 4.37Å; I149-W184 HydrophobicContact CD1-CZ3 3.89Å; I149-W184 HydrophobicContact CG2-CH2 4.47Å; I149-W184 HydrophobicContact CG2-CZ2 4.2Å
150	Y	92.8	Very high	81.3	Confident	48 Å²	48	58.7 Å²	58.7	19%	0.188	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.5	-178.6	-72.6	-66.2	0	0	0	110.9	F123 V143 V144 F146 K148 H162 D163 E164	F123-Y150 HydrophobicContact CE1-CD2 4.27Å; V143-Y150 CarbonylContact C-O 3.49Å; V143-Y150 VanDerWaalsContact CA-O 3.3Å; V143-Y150 WeakPolarHBondContact CA-O 3.31Å; V144-Y150 PolarHBondContact N-O 2.89Å; V144-Y150 PolarHBondContact O-N 3.01Å; F146-Y150 AromaticContact CE1-CD2 3.87Å; F146-Y150 HydrophobicContact CE1-CD2 3.87Å; F146-Y150 HydrophobicContact CE1-CE2 4.13Å; F146-Y150 AromaticContact CZ-CD2 3.91Å; F146-Y150 HydrophobicContact CZ-CD2 3.91Å; F146-Y150 AromaticContact CZ-CE2 3.67Å; F146-Y150 HydrophobicContact CZ-CE2 3.67Å; K148-Y150 HydrophobicContact CB-CD2 4.37Å; K148-Y150 HydrophobicContact CB-CE2 3.92Å; K148-Y150 HydrophobicContact CD-CE2 3.96Å; K148-Y150 WeakPolarHBondContact CD-OH 3.39Å; Y150-H162 HydrophobicContact CD1-CB 4.31Å; Y150-D163 CarbonylContact C-O 3.01Å; Y150-D163 WeakPolarHBondContact CA-O 3.5Å; Y150-E164 HydrophobicContact CD1-CB 4.09Å; Y150-E164 HydrophobicContact CE1-CB 3.87Å; Y150-E164 HydrophobicContact CE1-CG 4.44Å
151	L	92.7	Very high	80.6	Confident	26 Å²	26	61.5 Å²	61.5	14%	0.136	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	117.8	160	178	67.1	0	0	0	108.3	N141 V143 D163 L165 W177	N141-L151 HydrophobicContact CB-CD1 4.22Å; V143-L151 HydrophobicContact CG2-CD1 3.94Å; L151-D163 PolarHBondContact N-O 2.84Å; L151-D163 PolarHBondContact O-N 3.36Å; L151-L165 HydrophobicContact CB-CD1 4.22Å; L151-L165 HydrophobicContact CB-CD2 3.63Å; L151-L165 HydrophobicContact CB-CG 3.8Å; L151-L165 HydrophobicContact CD2-CD2 3.99Å; L151-L165 HydrophobicContact CG-CD2 4.37Å; L151-W177 HydrophobicContact CD1-CH2 3.85Å; L151-W177 HydrophobicContact CD1-CZ3 4.03Å
152	L	91.2	Very high	80.2	Confident	9 Å²	9	64 Å²	64	5%	0.047	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	121.7	167	-71.5	101.8	0	0	0	108.5	L107 F123 N141 L142 V144 K161 H162	L107-L152 HydrophobicContact CD2-CD1 4.37Å; L107-L152 HydrophobicContact CD2-CD2 4.38Å; F123-L152 HydrophobicContact CE2-CD2 4.44Å; F123-L152 HydrophobicContact CZ-CD1 3.87Å; F123-L152 HydrophobicContact CZ-CD2 3.96Å; F123-L152 HydrophobicContact CZ-CG 4.35Å; N141-L152 VanDerWaalsContact CA-O 3.3Å; N141-L152 WeakPolarHBondContact CA-O 3.37Å; L142-L152 HydrophobicContact CD1-CB 4.03Å; L142-L152 HydrophobicContact CD1-CD1 3.55Å; L142-L152 HydrophobicContact CD1-CG 4.31Å; L142-L152 HydrophobicContact CG-CB 4.2Å; L142-L152 PolarHBondContact N-O 3.08Å; L142-L152 PolarHBondContact O-N 3.33Å; V144-L152 HydrophobicContact CB-CD1 4.04Å; V144-L152 HydrophobicContact CG2-CD1 3.47Å; V144-L152 VanDerWaalsContact CG2-CD1 3.47Å; L152-K161 WeakPolarHBondContact CA-O 3.45Å; L152-H162 VanDerWaalsContact CD2-CE1 3.46Å; L152-H162 WeakPolarHBondContact CD2-CE1 3.33Å
153	S	85.1	Confident	79.8	Confident	29 Å²	29	66.5 Å²	66.5	20%	0.203	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141.7	173.1	59.3	0	0	0	0	110.4	N141 K161	N141-S153 VanDerWaalsContact OD1-CA 3.29Å; N141-S153 WeakPolarHBondContact OD1-CA 3.48Å; N141-S153 WeakPolarHBondContact OD1-CB 3.39Å; S153-K161 PolarHBondContact N-O 3.45Å; S153-K161 VanDerWaalsContact N-O 3.15Å; S153-K161 PolarHBondContact O-N 3.44Å
154	K	72.3	Confident	79.6	Confident	101 Å²	101	70.4 Å²	70.4	44%	0.439	35%	0.351	S	S	.	.			trans	-124.7	95.6	176.7	-162.6	178.8	-177.1	179.6	0	109.5	N140	N140-K154 HydrophobicContact CB-CB 3.96Å
155	G	60.6	Low	79.3	Confident	35 Å²	35	71.5 Å²	71.5	36%	0.361	36%	0.357	S	S	.	.			trans	-64.2	150.4	169.9	0	0	0	0	0	111.2	F157 T158	G155-F157 PolarHBondContact O-N 2.89Å; G155-T158 WeakPolarHBondContact CA-OG1 3.31Å; G155-T158 PolarHBondContact N-OG1 3.45Å; G155-T158 PolarHBondContact O-N 3.5Å
156	M	52.6	Low	79.1	Confident	178 Å²	178	72.1 Å²	72.1	88%	0.877	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-19.3	-175.3	-69.6	175.8	80.9	0	0	114.6
157	F	52.1	Low	79	Confident	198 Å²	198	79.6 Å²	79.6	87%	0.868	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.8	7.5	-177.8	-58	-75.6	0	0	0	114.4	G155	G155-F157 PolarHBondContact O-N 2.89Å
158	T	54.2	Low	79.1	Confident	89 Å²	89	76.1 Å²	76.1	55%	0.546	38%	0.377	S	S	.	.	S	Bend	trans	-116.7	144.6	-174	54.2	0	0	0	0	111.3	G155	G155-T158 WeakPolarHBondContact CA-OG1 3.31Å; G155-T158 PolarHBondContact N-OG1 3.45Å; G155-T158 PolarHBondContact O-N 3.5Å
159	K	63.8	Low	78.8	Confident	199 Å²	199	77 Å²	77	87%	0.865	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-53.9	147.5	169.4	-72.4	-176.6	177.8	-179.7	0	109.6	K161	K159-K161 PolarHBondContact O-N 3.47Å
160	A	66.9	Low	78.5	Confident	48 Å²	48	78 Å²	78	40%	0.397	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-51.6	125.5	178.1	0	0	0	0	0	110
161	K	73.7	Confident	78.4	Confident	115 Å²	115	79 Å²	79	50%	0.5	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.4	-179.1	-166.7	-177.3	-177.7	-136.5	0	108.5	L152 S153 K159 D163	L152-K161 WeakPolarHBondContact CA-O 3.45Å; S153-K161 PolarHBondContact N-O 3.45Å; S153-K161 VanDerWaalsContact N-O 3.15Å; S153-K161 PolarHBondContact O-N 3.44Å; K159-K161 PolarHBondContact O-N 3.47Å; K161-D163 WeakPolarHBondContact CD-OD2 3.49Å; K161-D163 WeakPolarHBondContact CE-OD1 3.49Å; K161-D163 VanDerWaalsContact CE-OD2 3.31Å; K161-D163 WeakPolarHBondContact CE-OD2 3.48Å; K161-D163 IonicContact NZ-OD1 3.12Å; K161-D163 PolarHBondContact NZ-OD1 3.42Å; K161-D163 IonicContact NZ-OD2 3.73Å; K161-D163 PolarHBondContact NZ-OD2 3.1Å
162	H	82.8	Confident	78.4	Confident	91 Å²	91	77.8 Å²	77.8	42%	0.421	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	100.8	176.1	-60.5	-105.2	0	0	0	107.8	F123 Y150 L152	F123-H162 AromaticContact CE1-ND1 3.81Å; F123-H162 AromaticContact CZ-CE1 3.74Å; F123-H162 AromaticContact CZ-ND1 3.73Å; Y150-H162 HydrophobicContact CD1-CB 4.31Å; L152-H162 VanDerWaalsContact CD2-CE1 3.46Å; L152-H162 WeakPolarHBondContact CD2-CE1 3.33Å
163	D	85.6	Confident	78.3	Confident	55 Å²	55	79.6 Å²	79.6	29%	0.294	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	124.8	178.2	-71.3	-31.1	0	0	0	109.5	Y150 L151 K161 L165	Y150-D163 CarbonylContact C-O 3.01Å; Y150-D163 WeakPolarHBondContact CA-O 3.5Å; L151-D163 PolarHBondContact N-O 2.84Å; L151-D163 PolarHBondContact O-N 3.36Å; K161-D163 WeakPolarHBondContact CD-OD2 3.49Å; K161-D163 WeakPolarHBondContact CE-OD1 3.49Å; K161-D163 VanDerWaalsContact CE-OD2 3.31Å; K161-D163 WeakPolarHBondContact CE-OD2 3.48Å; K161-D163 IonicContact NZ-OD1 3.12Å; K161-D163 PolarHBondContact NZ-OD1 3.42Å; K161-D163 IonicContact NZ-OD2 3.73Å; K161-D163 PolarHBondContact NZ-OD2 3.1Å; D163-L165 PolarHBondContact O-N 3.38Å
164	E	90.8	Very high	78.7	Confident	81 Å²	81	79.5 Å²	79.5	38%	0.379	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	115.1	173.5	-169.9	171.6	158.4	0	0	108.4	K148 I149 Y150	K148-E164 IonicContact NZ-OE2 3.11Å; K148-E164 PolarHBondContact NZ-OE2 2.9Å; I149-E164 WeakPolarHBondContact O-CA 3.42Å; Y150-E164 HydrophobicContact CD1-CB 4.09Å; Y150-E164 HydrophobicContact CE1-CB 3.87Å; Y150-E164 HydrophobicContact CE1-CG 4.44Å
165	L	89.8	Confident	79.8	Confident	23 Å²	23	75.1 Å²	75.1	12%	0.12	39%	0.387	C	S	.	.			trans	-68	-46.3	-173.1	-72.8	175.1	0	0	0	111.9	V143 I149 L151 D163 I182 Y193	V143-L165 HydrophobicContact CG1-CD1 4.03Å; V143-L165 HydrophobicContact CG2-CD1 3.92Å; I149-L165 HydrophobicContact CD1-CD1 4.48Å; I149-L165 HydrophobicContact CG1-CD1 4.39Å; I149-L165 HydrophobicContact CG2-CB 4.19Å; I149-L165 PolarHBondContact O-N 3.38Å; I149-L165 VanDerWaalsContact O-N 3.12Å; L151-L165 HydrophobicContact CB-CD1 4.22Å; L151-L165 HydrophobicContact CB-CD2 3.63Å; L151-L165 HydrophobicContact CB-CG 3.8Å; L151-L165 HydrophobicContact CD2-CD2 3.99Å; L151-L165 HydrophobicContact CG-CD2 4.37Å; D163-L165 PolarHBondContact O-N 3.38Å; L165-I182 HydrophobicContact CD1-CD1 3.84Å; L165-Y193 HydrophobicContact CB-CD2 4.5Å; L165-Y193 HydrophobicContact CB-CE2 4.11Å; L165-Y193 HydrophobicContact CD2-CE1 3.83Å; L165-Y193 WeakPolarHBondContact O-CE2 3.3Å
166	A	89.5	Confident	81.5	Confident	14 Å²	14	77.9 Å²	77.9	12%	0.116	39%	0.389	C	S	.	.	S	Bend	trans	-159.3	159.8	179.3	0	0	0	0	0	110	I149 V168 W184 Y193 P200	I149-A166 WeakPolarHBondContact CG2-O 3.38Å; A166-V168 PolarHBondContact O-N 2.92Å; A166-W184 HydrophobicContact CB-CH2 3.83Å; A166-W184 HydrophobicContact CB-CZ2 4.03Å; A166-Y193 HydrophobicContact CB-CD2 4.5Å; A166-P200 HydrophobicContact CB-CG 3.81Å
167	K	89	Confident	83.5	Confident	170 Å²	170	70.9 Å²	70.9	74%	0.739	35%	0.353	S	S	*	.			trans	-70.2	120.3	173.3	-174.2	176.9	-178.8	179.6	0	109.7
168	V	90.3	Very high	85.4	Confident	18 Å²	18	63.7 Å²	63.7	11%	0.109	32%	0.322	C	S	.	.			trans	-79.7	154.7	173.8	-58.7	0	0	0	0	111.2	N147 I149 A166 V172	N147-V168 WeakPolarHBondContact O-CG2 3.27Å; I149-V168 HydrophobicContact CB-CG1 3.9Å; I149-V168 HydrophobicContact CG2-CG1 3.64Å; A166-V168 PolarHBondContact O-N 2.92Å; V168-V172 HydrophobicContact CB-CG2 4.29Å; V168-V172 HydrophobicContact CG1-CG2 3.71Å
169	H	86.2	Confident	87	Confident	90 Å²	90	62.2 Å²	62.2	42%	0.417	31%	0.314	S	S	.	.	S	Bend	trans	-100.3	-17.3	-178.2	-64.5	-93	0	0	0	113	D186 K188 C189 F203	H169-D186 WeakPolarHBondContact CA-OD2 3.34Å; H169-D186 WeakPolarHBondContact CB-OD2 3.2Å; H169-D186 PolarHBondContact N-OD2 2.93Å; H169-K188 HydrophobicContact CB-CB 4.21Å; H169-K188 HydrophobicContact CB-CD 4.11Å; H169-K188 VanDerWaalsContact O-CD 3.32Å; H169-K188 WeakPolarHBondContact O-CD 3.41Å; H169-K188 VanDerWaalsContact O-CE 3.29Å; H169-K188 WeakPolarHBondContact O-CE 3.29Å; H169-K188 PolarHBondContact O-NZ 2.88Å; H169-C189 VanDerWaalsContact CD2-SG 3.54Å; H169-F203 AromaticContact CD2-CD1 3.92Å; H169-F203 AromaticContact CD2-CE1 3.87Å; H169-F203 AromaticContact NE2-CD1 3.72Å; H169-F203 AromaticContact NE2-CE1 3.63Å
170	G	87.1	Confident	88.3	Confident	20 Å²	20	56.2 Å²	56.2	21%	0.206	29%	0.29	C	S	.	.	S	Bend	trans	-155.5	-158.2	178.6	0	0	0	0	0	112.8	D186	G170-D186 PolarHBondContact N-OD2 2.87Å; G170-D186 VanDerWaalsContact N-OD2 3.15Å
171	L	89.8	Confident	89.6	Confident	71 Å²	71	54.1 Å²	54.1	37%	0.372	27%	0.272	S	S	.	.			trans	-77	123.8	173.3	-174.4	70.9	0	0	0	109.5	K128 S173 D186 D187	K128-L171 HydrophobicContact CG-CD1 4.2Å; K128-L171 HydrophobicContact CG-CD2 4.18Å; K128-L171 HydrophobicContact CG-CG 4.28Å; L171-S173 PolarHBondContact O-N 2.96Å; L171-D186 CarbonylContact O-C 3.52Å; L171-D186 WeakPolarHBondContact O-CA 3.4Å; L171-D186 WeakPolarHBondContact O-CB 3.41Å; L171-D187 VanDerWaalsContact CB-OD2 3.26Å; L171-D187 WeakPolarHBondContact CB-OD2 3.37Å; L171-D187 PolarHBondContact N-OD2 3.24Å; L171-D187 PolarHBondContact O-N 3.45Å
172	V	93.1	Very high	90.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.248	C	C	.	.			trans	-70.4	121.5	175.5	-178.2	0	0	0	0	109.1	K128 A129 F146 V168 I175 W184	K128-V172 VanDerWaalsContact CB-O 3.23Å; K128-V172 WeakPolarHBondContact CB-O 3.33Å; A129-V172 HydrophobicContact CB-CG1 4.25Å; F146-V172 WeakPolarHBondContact O-CB 3.37Å; F146-V172 WeakPolarHBondContact O-CG2 3.48Å; F146-V172 PolarHBondContact O-N 3.41Å; V168-V172 HydrophobicContact CB-CG2 4.29Å; V168-V172 HydrophobicContact CG1-CG2 3.71Å; V172-I175 HydrophobicContact CG1-CD1 4.05Å; V172-I175 HydrophobicContact CG1-CG1 3.72Å; V172-W184 HydrophobicContact CG1-CB 4.09Å; V172-W184 HydrophobicContact CG1-CG 4.43Å
173	S	89.7	Confident	91.3	Very high	46 Å²	46	44.3 Å²	44.3	32%	0.322	23%	0.228	S	C	.	.			trans	-103.8	-31.2	-176	58.9	0	0	0	0	113.2	L171 A185	L171-S173 PolarHBondContact O-N 2.96Å; S173-A185 PolarHBondContact N-O 3.45Å; S173-A185 PolarHBondContact OG-O 3.4Å
174	T	92.9	Very high	91.8	Very high	28 Å²	28	41.7 Å²	41.7	17%	0.172	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	146	179.3	-179.1	0	0	0	0	110.8	W184 A185 L220	T174-W184 VanDerWaalsContact O-CA 3.23Å; T174-W184 WeakPolarHBondContact O-CA 3.21Å; T174-W184 WeakPolarHBondContact O-CB 3.31Å; T174-A185 HydrophobicContact CG2-CB 3.65Å; T174-A185 PolarHBondContact O-N 2.97Å; T174-L220 HydrophobicContact CG2-CD1 3.78Å; T174-L220 HydrophobicContact CG2-CG 4.07Å
175	I	96.2	Very high	91.9	Very high	9 Å²	9	37.9 Å²	37.9	5%	0.046	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	134.4	175.1	-56.9	164.2	0	0	0	107.7	A129 A131 V143 I149 V172 I182 L183 W184	A129-I175 HydrophobicContact CB-CB 4.33Å; A129-I175 HydrophobicContact CB-CD1 3.76Å; A129-I175 HydrophobicContact CB-CG1 3.71Å; A131-I175 HydrophobicContact CB-CB 4Å; A131-I175 HydrophobicContact CB-CG2 3.48Å; A131-I175 VanDerWaalsContact CB-CG2 3.48Å; V143-I175 HydrophobicContact CB-CG2 4.5Å; V143-I175 HydrophobicContact CG1-CD1 4.01Å; V143-I175 HydrophobicContact CG1-CG2 4.38Å; I149-I175 HydrophobicContact CD1-CD1 4.4Å; V172-I175 HydrophobicContact CG1-CD1 4.05Å; V172-I175 HydrophobicContact CG1-CG1 3.72Å; I175-I182 HydrophobicContact CG2-CG2 3.83Å; I175-L183 CarbonylContact C-O 3.4Å; I175-L183 VanDerWaalsContact CA-O 3.3Å; I175-L183 WeakPolarHBondContact CA-O 3.37Å; I175-W184 HydrophobicContact CB-CB 4.44Å; I175-W184 HydrophobicContact CG1-CB 3.82Å
176	K	95	Very high	92	Very high	93 Å²	93	36.8 Å²	36.8	40%	0.404	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	124.5	171.2	-65	-65.8	-174.4	179.3	0	108.9	L183 L220	K176-L183 HydrophobicContact CB-CB 4.45Å; K176-L183 PolarHBondContact N-O 3.49Å; K176-L183 PolarHBondContact O-N 2.91Å; K176-L220 WeakPolarHBondContact CE-O 3.19Å; K176-L220 HydrophobicContact CG-CB 3.87Å
177	W	94.4	Very high	91.8	Very high	31 Å²	31	40.1 Å²	40.1	12%	0.117	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.8	175.5	-170.1	-17.5	0	0	0	108.5	A131 A133 N141 V143 L151 C179 I182 I195	A131-W177 HydrophobicContact CB-CB 3.9Å; A133-W177 HydrophobicContact CB-CD2 4.14Å; A133-W177 HydrophobicContact CB-CE3 4.01Å; A133-W177 HydrophobicContact CB-CH2 3.51Å; A133-W177 HydrophobicContact CB-CZ2 3.55Å; A133-W177 HydrophobicContact CB-CZ3 3.7Å; N141-W177 HydrophobicContact CB-CH2 3.72Å; N141-W177 HydrophobicContact CB-CZ3 4.3Å; V143-W177 HydrophobicContact CG2-CE3 3.76Å; V143-W177 HydrophobicContact CG2-CH2 4.46Å; V143-W177 HydrophobicContact CG2-CZ3 3.58Å; L151-W177 HydrophobicContact CD1-CH2 3.85Å; L151-W177 HydrophobicContact CD1-CZ3 4.03Å; W177-C179 PolarHBondContact NE1-O 2.88Å; W177-I182 HydrophobicContact CB-CG1 4.4Å; W177-I182 HydrophobicContact CD2-CD1 4.27Å; W177-I182 HydrophobicContact CD2-CG1 3.83Å; W177-I182 HydrophobicContact CE3-CD1 4.42Å; W177-I182 HydrophobicContact CE3-CG1 4.32Å; W177-I182 HydrophobicContact CG-CG1 3.85Å; W177-I182 HydrophobicContact CZ2-CD1 4.48Å; W177-I195 HydrophobicContact CD2-CD1 4.43Å; W177-I195 HydrophobicContact CH2-CD1 4.22Å; W177-I195 HydrophobicContact CZ2-CD1 3.24Å; W177-I195 VanDerWaalsContact NE1-CD1 3.25Å
178	H	91.9	Very high	91.7	Very high	46 Å²	46	38.3 Å²	38.3	21%	0.213	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	130.8	171.5	-171.2	61.1	0	0	0	110.1	E180 I181 W222	H178-E180 PolarHBondContact O-N 2.9Å; H178-E180 VanDerWaalsContact O-N 3.13Å; H178-I181 PolarHBondContact N-O 3.32Å; H178-I181 PolarHBondContact O-N 3.42Å; H178-W222 HydrophobicContact CB-CD2 3.7Å; H178-W222 HydrophobicContact CB-CE3 4.44Å; H178-W222 HydrophobicContact CB-CG 3.82Å; H178-W222 HydrophobicContact CB-CZ2 3.87Å; H178-W222 VanDerWaalsContact CB-NE1 3.33Å
179	C	88.9	Confident	91.8	Very high	58 Å²	58	37.7 Å²	37.7	39%	0.392	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	-116.6	-173.5	-56.9	0	0	0	0	112.2	W177	W177-C179 PolarHBondContact NE1-O 2.88Å
180	E	90.7	Very high	92.1	Very high	74 Å²	74	33.4 Å²	33.4	35%	0.346	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	3.4	-176.6	-60.2	171.1	152.3	0	0	112.9	H178 I195 R196 R279	H178-E180 PolarHBondContact O-N 2.9Å; H178-E180 VanDerWaalsContact O-N 3.13Å; E180-I195 WeakPolarHBondContact O-CB 3.34Å; E180-I195 VanDerWaalsContact O-CG1 3.32Å; E180-I195 WeakPolarHBondContact O-CG1 3.44Å; E180-I195 PolarHBondContact O-N 3.07Å; E180-R196 HydrophobicContact CB-CG 4.15Å; E180-R196 HydrophobicContact CG-CG 4.1Å; E180-R196 VanDerWaalsContact OE1-CD 3.28Å; E180-R196 WeakPolarHBondContact OE1-CD 3.22Å; E180-R196 IonicContact OE1-NH1 2.78Å; E180-R196 WeakPolarHBondContact OE2-CD 3.47Å; E180-R196 IonicContact OE2-CZ 2.75Å; E180-R196 IonicContact OE2-NE 3.96Å; E180-R196 PolarHBondContact OE2-NE 3.33Å; E180-R196 IonicContact OE2-NH1 3.09Å; E180-R196 PolarHBondContact OE2-NH1 3.49Å; E180-R279 IonicContact OE2-NH1 2.78Å; E180-R279 PolarHBondContact OE2-NH1 2.81Å; E180-R279 IonicContact OE2-NH2 3.19Å
181	I	94.6	Very high	92.5	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134	-174	-54	-60.1	0	0	0	110.6	H178 L183 V192 Y193 D194 I201 W222 I241	H178-I181 PolarHBondContact N-O 3.32Å; H178-I181 PolarHBondContact O-N 3.42Å; I181-L183 HydrophobicContact CG2-CD2 4.24Å; I181-V192 HydrophobicContact CG2-CG1 3.68Å; I181-Y193 WeakPolarHBondContact CA-O 3.44Å; I181-D194 HydrophobicContact CD1-CB 3.96Å; I181-I201 HydrophobicContact CD1-CD1 3.95Å; I181-W222 HydrophobicContact CB-CH2 3.83Å; I181-W222 HydrophobicContact CB-CZ2 4.08Å; I181-W222 HydrophobicContact CG2-CH2 3.68Å; I181-W222 HydrophobicContact CG2-CZ2 3.94Å; I181-I241 HydrophobicContact CB-CD1 4.46Å; I181-I241 HydrophobicContact CG1-CD1 4.04Å; I181-I241 HydrophobicContact CG2-CD1 3.96Å
182	I	95.6	Very high	92.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.9	171.4	-59.6	156.9	0	0	0	108.1	V143 L165 I175 W177 W184 Y193 I195	V143-I182 HydrophobicContact CG2-CD1 3.76Å; V143-I182 HydrophobicContact CG2-CG1 4.48Å; L165-I182 HydrophobicContact CD1-CD1 3.84Å; I175-I182 HydrophobicContact CG2-CG2 3.83Å; W177-I182 HydrophobicContact CB-CG1 4.4Å; W177-I182 HydrophobicContact CD2-CD1 4.27Å; W177-I182 HydrophobicContact CD2-CG1 3.83Å; W177-I182 HydrophobicContact CE3-CD1 4.42Å; W177-I182 HydrophobicContact CE3-CG1 4.32Å; W177-I182 HydrophobicContact CG-CG1 3.85Å; W177-I182 HydrophobicContact CZ2-CD1 4.48Å; I182-W184 HydrophobicContact CG2-CE3 4.15Å; I182-Y193 HydrophobicContact CD1-CD1 4.34Å; I182-Y193 PolarHBondContact N-O 3.03Å; I182-Y193 PolarHBondContact O-N 3.41Å; I182-I195 HydrophobicContact CD1-CD1 3.67Å; I182-I195 HydrophobicContact CD1-CG1 3.63Å; I182-I195 HydrophobicContact CG1-CD1 3.85Å; I182-I195 HydrophobicContact CG1-CG1 4.12Å
183	L	96.3	Very high	92.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	134.5	169.3	-58.3	175.8	0	0	0	108.7	I175 K176 I181 C191 V192 L220 W222 F228	I175-L183 CarbonylContact C-O 3.4Å; I175-L183 VanDerWaalsContact CA-O 3.3Å; I175-L183 WeakPolarHBondContact CA-O 3.37Å; K176-L183 HydrophobicContact CB-CB 4.45Å; K176-L183 PolarHBondContact N-O 3.49Å; K176-L183 PolarHBondContact O-N 2.91Å; I181-L183 HydrophobicContact CG2-CD2 4.24Å; L183-C191 WeakPolarHBondContact CA-O 3.3Å; L183-V192 HydrophobicContact CD2-CB 3.93Å; L183-V192 HydrophobicContact CD2-CG1 3.72Å; L183-V192 HydrophobicContact CD2-CG2 3.54Å; L183-L220 HydrophobicContact CB-CD1 4.08Å; L183-W222 HydrophobicContact CD1-CD2 4.21Å; L183-W222 HydrophobicContact CD1-CH2 3.87Å; L183-W222 HydrophobicContact CD1-CZ2 3.36Å; L183-W222 HydrophobicContact CD1-CZ3 4.46Å; L183-W222 HydrophobicContact CD2-CH2 4.48Å; L183-W222 HydrophobicContact CD2-CZ2 4.33Å; L183-W222 HydrophobicContact CG-CH2 4.08Å; L183-W222 HydrophobicContact CG-CZ2 3.5Å; L183-W222 VanDerWaalsContact CG-CZ2 3.5Å; L183-F228 HydrophobicContact CD1-CB 3.85Å; L183-F228 HydrophobicContact CD1-CD1 4.03Å; L183-F228 HydrophobicContact CD1-CD2 3.54Å; L183-F228 HydrophobicContact CD1-CE1 4.48Å; L183-F228 HydrophobicContact CD1-CE2 4.01Å; L183-F228 HydrophobicContact CD1-CG 3.54Å; L183-F228 HydrophobicContact CD1-CZ 4.47Å; L183-F228 HydrophobicContact CD2-CD1 4.42Å; L183-F228 HydrophobicContact CD2-CD2 4.39Å; L183-F228 HydrophobicContact CD2-CE1 4.1Å; L183-F228 HydrophobicContact CD2-CE2 4.03Å; L183-F228 HydrophobicContact CD2-CZ 3.9Å
184	W	95.5	Very high	93	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	147.5	163.3	72.9	90.7	0	0	0	111.1	I149 A166 V172 T174 I175 I182 I190 C191 Y193	I149-W184 HydrophobicContact CD1-CB 4.05Å; I149-W184 HydrophobicContact CD1-CD2 3.35Å; I149-W184 HydrophobicContact CD1-CE3 3.41Å; I149-W184 VanDerWaalsContact CD1-CE3 3.41Å; I149-W184 HydrophobicContact CD1-CG 3.67Å; I149-W184 HydrophobicContact CD1-CH2 4.36Å; I149-W184 HydrophobicContact CD1-CZ2 4.37Å; I149-W184 HydrophobicContact CD1-CZ3 3.89Å; I149-W184 HydrophobicContact CG2-CH2 4.47Å; I149-W184 HydrophobicContact CG2-CZ2 4.2Å; A166-W184 HydrophobicContact CB-CH2 3.83Å; A166-W184 HydrophobicContact CB-CZ2 4.03Å; V172-W184 HydrophobicContact CG1-CB 4.09Å; V172-W184 HydrophobicContact CG1-CG 4.43Å; T174-W184 VanDerWaalsContact O-CA 3.23Å; T174-W184 WeakPolarHBondContact O-CA 3.21Å; T174-W184 WeakPolarHBondContact O-CB 3.31Å; I175-W184 HydrophobicContact CB-CB 4.44Å; I175-W184 HydrophobicContact CG1-CB 3.82Å; I182-W184 HydrophobicContact CG2-CE3 4.15Å; W184-I190 CarbonylContact O-C 3.52Å; W184-I190 VanDerWaalsContact O-CA 3.29Å; W184-I190 WeakPolarHBondContact O-CA 3.35Å; W184-C191 HydrophobicContact CD2-CB 3.69Å; W184-C191 HydrophobicContact CE3-CB 3.95Å; W184-C191 HydrophobicContact CG-CB 4.46Å; W184-C191 HydrophobicContact CH2-CB 3.59Å; W184-C191 WeakPolarHBondContact CH2-SG 3.46Å; W184-C191 HydrophobicContact CZ2-CB 3.23Å; W184-C191 WeakPolarHBondContact CZ2-SG 3.22Å; W184-C191 HydrophobicContact CZ3-CB 3.94Å; W184-C191 PolarHBondContact N-O 3.33Å; W184-C191 PolarHBondContact O-N 3.33Å; W184-Y193 HydrophobicContact CH2-CD2 4.16Å; W184-Y193 HydrophobicContact CH2-CG 4.43Å; W184-Y193 VanDerWaalsContact CZ3-CB 3.44Å; W184-Y193 HydrophobicContact CZ3-CD2 4.29Å; W184-Y193 HydrophobicContact CZ3-CG 4.1Å
185	A	94.2	Very high	92.9	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	128.7	170.3	0	0	0	0	0	109.1	S173 T174 I190 F206 C218 L220	S173-A185 PolarHBondContact N-O 3.45Å; S173-A185 PolarHBondContact OG-O 3.4Å; T174-A185 HydrophobicContact CG2-CB 3.65Å; T174-A185 PolarHBondContact O-N 2.97Å; A185-I190 HydrophobicContact CB-CG1 3.85Å; A185-F206 HydrophobicContact CB-CZ 4.42Å; A185-C218 HydrophobicContact CB-CB 3.84Å; A185-L220 HydrophobicContact CB-CD1 4.26Å
186	D	91.5	Very high	92.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.153	C	C	.	.			trans	-103.7	-175.3	162.2	68.6	30	0	0	0	110.7	H169 G170 L171 K188 C189 F206	H169-D186 WeakPolarHBondContact CA-OD2 3.34Å; H169-D186 WeakPolarHBondContact CB-OD2 3.2Å; H169-D186 PolarHBondContact N-OD2 2.93Å; G170-D186 PolarHBondContact N-OD2 2.87Å; G170-D186 VanDerWaalsContact N-OD2 3.15Å; L171-D186 CarbonylContact O-C 3.52Å; L171-D186 WeakPolarHBondContact O-CA 3.4Å; L171-D186 WeakPolarHBondContact O-CB 3.41Å; D186-K188 PolarHBondContact O-N 3.19Å; D186-K188 VanDerWaalsContact O-N 3.13Å; D186-K188 WeakPolarHBondContact OD1-CA 3.17Å; D186-K188 PolarHBondContact OD1-N 2.95Å; D186-C189 PolarHBondContact N-O 3Å; D186-C189 PolarHBondContact OD1-N 3.09Å; D186-C189 PolarHBondContact OD1-SG 2.9Å; D186-F206 VanDerWaalsContact O-CE2 3.28Å; D186-F206 WeakPolarHBondContact O-CE2 3.25Å
187	D	85.7	Confident	92	Very high	85 Å²	85	30.4 Å²	30.4	46%	0.455	15%	0.145	S	C	.	.	S	Bend	trans	-62.5	-20	-178.7	-57.5	-42.6	0	0	0	113.7	L171 R232	L171-D187 VanDerWaalsContact CB-OD2 3.26Å; L171-D187 WeakPolarHBondContact CB-OD2 3.37Å; L171-D187 PolarHBondContact N-OD2 3.24Å; L171-D187 PolarHBondContact O-N 3.45Å; D187-R232 PolarHBondContact O-NH1 2.98Å; D187-R232 PolarHBondContact O-NH2 3.2Å
188	K	86.6	Confident	91.8	Very high	132 Å²	132	35.6 Å²	35.6	57%	0.574	17%	0.17	S	C	*	.	S	Bend	trans	-113.9	-30.8	-169.4	-63.5	-175	-173.6	157.6	0	114.5	H169 D186 F206	H169-K188 HydrophobicContact CB-CB 4.21Å; H169-K188 HydrophobicContact CB-CD 4.11Å; H169-K188 VanDerWaalsContact O-CD 3.32Å; H169-K188 WeakPolarHBondContact O-CD 3.41Å; H169-K188 VanDerWaalsContact O-CE 3.29Å; H169-K188 WeakPolarHBondContact O-CE 3.29Å; H169-K188 PolarHBondContact O-NZ 2.88Å; D186-K188 PolarHBondContact O-N 3.19Å; D186-K188 VanDerWaalsContact O-N 3.13Å; D186-K188 WeakPolarHBondContact OD1-CA 3.17Å; D186-K188 PolarHBondContact OD1-N 2.95Å; K188-F206 WeakPolarHBondContact O-CD2 3.36Å; K188-F206 PolarHBondContact O-N 2.89Å; K188-F206 VanDerWaalsContact O-N 3.15Å
189	C	91.4	Very high	91.7	Very high	4 Å²	4	36.8 Å²	36.8	3%	0.027	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	170.5	-177	64.6	0	0	0	0	113	H169 D186 I204 Q205	H169-C189 VanDerWaalsContact CD2-SG 3.54Å; D186-C189 PolarHBondContact N-O 3Å; D186-C189 PolarHBondContact OD1-N 3.09Å; D186-C189 PolarHBondContact OD1-SG 2.9Å; C189-I204 CarbonylContact C-O 3.59Å; C189-I204 VanDerWaalsContact CA-O 3.29Å; C189-I204 WeakPolarHBondContact CA-O 3.42Å; C189-I204 WeakPolarHBondContact CB-O 3.33Å; C189-Q205 HydrophobicContact CB-CG 4.44Å
190	I	93.8	Very high	91.8	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.5	167	-65.7	154.5	0	0	0	108	W184 A185 F203 I204 F206 L220 I230	W184-I190 CarbonylContact O-C 3.52Å; W184-I190 VanDerWaalsContact O-CA 3.29Å; W184-I190 WeakPolarHBondContact O-CA 3.35Å; A185-I190 HydrophobicContact CB-CG1 3.85Å; I190-F203 CarbonylContact O-C 3.53Å; I190-F203 WeakPolarHBondContact O-CA 3.42Å; I190-I204 HydrophobicContact CB-CB 4.36Å; I190-I204 PolarHBondContact N-O 3.29Å; I190-I204 PolarHBondContact O-N 3.46Å; I190-F206 HydrophobicContact CD1-CE1 3.58Å; I190-F206 HydrophobicContact CD1-CZ 3.74Å; I190-F206 HydrophobicContact CG1-CE1 3.93Å; I190-F206 HydrophobicContact CG1-CE2 4.47Å; I190-F206 HydrophobicContact CG1-CZ 3.55Å; I190-L220 HydrophobicContact CD1-CD2 4.05Å; I190-L220 HydrophobicContact CG1-CD2 4.38Å; I190-L220 HydrophobicContact CG2-CD2 4.33Å; I190-I230 HydrophobicContact CD1-CB 4.07Å; I190-I230 HydrophobicContact CD1-CD1 3.61Å; I190-I230 HydrophobicContact CD1-CG1 3.76Å; I190-I230 HydrophobicContact CD1-CG2 3.2Å
191	C	95.2	Very high	91.8	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	137.4	171.9	-175	0	0	0	0	110.2	L183 W184 F203	L183-C191 WeakPolarHBondContact CA-O 3.3Å; W184-C191 HydrophobicContact CD2-CB 3.69Å; W184-C191 HydrophobicContact CE3-CB 3.95Å; W184-C191 HydrophobicContact CG-CB 4.46Å; W184-C191 HydrophobicContact CH2-CB 3.59Å; W184-C191 WeakPolarHBondContact CH2-SG 3.46Å; W184-C191 HydrophobicContact CZ2-CB 3.23Å; W184-C191 WeakPolarHBondContact CZ2-SG 3.22Å; W184-C191 HydrophobicContact CZ3-CB 3.94Å; W184-C191 PolarHBondContact N-O 3.33Å; W184-C191 PolarHBondContact O-N 3.33Å; C191-F203 HydrophobicContact CB-CD1 3.77Å; C191-F203 HydrophobicContact CB-CE1 3.68Å; C191-F203 WeakPolarHBondContact SG-CE1 2.85Å
192	V	95.8	Very high	91.7	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115	168.3	-172	0	0	0	0	107.5	I181 L183 P200 I201 T202 I204 F228 I241 V281	I181-V192 HydrophobicContact CG2-CG1 3.68Å; L183-V192 HydrophobicContact CD2-CB 3.93Å; L183-V192 HydrophobicContact CD2-CG1 3.72Å; L183-V192 HydrophobicContact CD2-CG2 3.54Å; V192-P200 CarbonylContact O-C 3.53Å; V192-I201 HydrophobicContact CB-CB 4.45Å; V192-I201 HydrophobicContact CG1-CB 4.45Å; V192-I201 HydrophobicContact CG1-CD1 3.98Å; V192-I201 PolarHBondContact O-N 2.76Å; V192-T202 HydrophobicContact CB-CG2 4.05Å; V192-T202 HydrophobicContact CG2-CG2 3.77Å; V192-T202 PolarHBondContact N-O 3.27Å; V192-T202 PolarHBondContact O-N 2.96Å; V192-I204 HydrophobicContact CG2-CD1 4.46Å; V192-F228 HydrophobicContact CG2-CE1 4.34Å; V192-F228 HydrophobicContact CG2-CZ 3.74Å; V192-I241 HydrophobicContact CG1-CD1 4.18Å; V192-V281 HydrophobicContact CB-CG2 4.06Å; V192-V281 HydrophobicContact CG1-CG2 3.9Å; V192-V281 HydrophobicContact CG2-CG2 4Å
193	Y	95.1	Very high	91.6	Very high	10 Å²	10	38.5 Å²	38.5	4%	0.039	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130.8	-176.7	-176.1	-81.8	0	0	0	110.8	L165 A166 I181 I182 W184 I195 H198 R199 P200	L165-Y193 HydrophobicContact CB-CD2 4.5Å; L165-Y193 HydrophobicContact CB-CE2 4.11Å; L165-Y193 HydrophobicContact CD2-CE1 3.83Å; L165-Y193 WeakPolarHBondContact O-CE2 3.3Å; A166-Y193 HydrophobicContact CB-CD2 4.5Å; I181-Y193 WeakPolarHBondContact CA-O 3.44Å; I182-Y193 HydrophobicContact CD1-CD1 4.34Å; I182-Y193 PolarHBondContact N-O 3.03Å; I182-Y193 PolarHBondContact O-N 3.41Å; W184-Y193 HydrophobicContact CH2-CD2 4.16Å; W184-Y193 HydrophobicContact CH2-CG 4.43Å; W184-Y193 VanDerWaalsContact CZ3-CB 3.44Å; W184-Y193 HydrophobicContact CZ3-CD2 4.29Å; W184-Y193 HydrophobicContact CZ3-CG 4.1Å; Y193-I195 HydrophobicContact CD1-CG1 4.4Å; Y193-I195 HydrophobicContact CE1-CG1 4.47Å; Y193-H198 WeakPolarHBondContact OH-CA 3.23Å; Y193-H198 PolarHBondContact OH-O 3.14Å; Y193-R199 VanDerWaalsContact CD2-C 3.46Å; Y193-P200 HydrophobicContact CD2-CG 4.02Å; Y193-P200 HydrophobicContact CE2-CG 4.47Å
194	D	92.8	Very high	91.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	120.6	175.5	-168.4	-31.9	0	0	0	109.5	I181 R196 D197 H198 R199 I201 R279	I181-D194 HydrophobicContact CD1-CB 3.96Å; D194-R196 VanDerWaalsContact C-N 3.34Å; D194-R196 VanDerWaalsContact OD1-CB 3.3Å; D194-R196 WeakPolarHBondContact OD1-CB 3.5Å; D194-R196 PolarHBondContact OD1-N 2.93Å; D194-R196 IonicContact OD1-NE 3.67Å; D194-R196 IonicContact OD2-NE 3.76Å; D194-R196 IonicContact OD2-NH2 2.65Å; D194-D197 HydrophobicContact CB-CB 4.15Å; D194-D197 PolarHBondContact OD1-N 3.47Å; D194-H198 PolarHBondContact O-N 2.89Å; D194-R199 PolarHBondContact N-O 3.2Å; D194-R199 VanDerWaalsContact N-O 3.1Å; D194-R199 PolarHBondContact O-N 3.26Å; D194-I201 HydrophobicContact CB-CD1 3.74Å; D194-I201 HydrophobicContact CB-CG1 3.81Å; D194-R279 WeakPolarHBondContact OD2-CD 3.38Å; D194-R279 IonicContact OD2-NH1 3.4Å; D194-R279 PolarHBondContact OD2-NH1 2.88Å
195	I	89.9	Confident	91	Very high	42 Å²	42	46.1 Å²	46.1	22%	0.215	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-36.3	179.7	-64	164.2	0	0	0	111	W177 E180 I182 Y193 H198	W177-I195 HydrophobicContact CD2-CD1 4.43Å; W177-I195 HydrophobicContact CH2-CD1 4.22Å; W177-I195 HydrophobicContact CZ2-CD1 3.24Å; W177-I195 VanDerWaalsContact NE1-CD1 3.25Å; E180-I195 WeakPolarHBondContact O-CB 3.34Å; E180-I195 VanDerWaalsContact O-CG1 3.32Å; E180-I195 WeakPolarHBondContact O-CG1 3.44Å; E180-I195 PolarHBondContact O-N 3.07Å; I182-I195 HydrophobicContact CD1-CD1 3.67Å; I182-I195 HydrophobicContact CD1-CG1 3.63Å; I182-I195 HydrophobicContact CG1-CD1 3.85Å; I182-I195 HydrophobicContact CG1-CG1 4.12Å; Y193-I195 HydrophobicContact CD1-CG1 4.4Å; Y193-I195 HydrophobicContact CE1-CG1 4.47Å; I195-H198 PolarHBondContact O-CE1 2.88Å; I195-H198 VanDerWaalsContact O-CE1 3.3Å; I195-H198 PolarHBondContact O-N 3.48Å; I195-H198 PolarHBondContact O-ND1 3.46Å
196	R	87.1	Confident	90.4	Very high	108 Å²	108	47.9 Å²	47.9	41%	0.408	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-42.8	-179.1	-61.8	-175.1	-66.4	-167.8	27.9	111.8	E180 D194 H198 R279	E180-R196 HydrophobicContact CB-CG 4.15Å; E180-R196 HydrophobicContact CG-CG 4.1Å; E180-R196 VanDerWaalsContact OE1-CD 3.28Å; E180-R196 WeakPolarHBondContact OE1-CD 3.22Å; E180-R196 IonicContact OE1-NH1 2.78Å; E180-R196 WeakPolarHBondContact OE2-CD 3.47Å; E180-R196 IonicContact OE2-CZ 2.75Å; E180-R196 IonicContact OE2-NE 3.96Å; E180-R196 PolarHBondContact OE2-NE 3.33Å; E180-R196 IonicContact OE2-NH1 3.09Å; E180-R196 PolarHBondContact OE2-NH1 3.49Å; D194-R196 VanDerWaalsContact C-N 3.34Å; D194-R196 VanDerWaalsContact OD1-CB 3.3Å; D194-R196 WeakPolarHBondContact OD1-CB 3.5Å; D194-R196 PolarHBondContact OD1-N 2.93Å; D194-R196 IonicContact OD1-NE 3.67Å; D194-R196 IonicContact OD2-NE 3.76Å; D194-R196 IonicContact OD2-NH2 2.65Å; R196-H198 VanDerWaalsContact C-N 3.27Å; R196-R279 VanDerWaalsContact NH2-NH1 3.16Å; R196-R279 VanDerWaalsContact NH2-NH2 3.15Å
197	D	86	Confident	89.3	Confident	44 Å²	44	53 Å²	53	24%	0.235	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-8	179.7	-85.9	32.3	0	0	0	112.1	D194 R199 S278	D194-D197 HydrophobicContact CB-CB 4.15Å; D194-D197 PolarHBondContact OD1-N 3.47Å; D197-R199 HydrophobicContact CB-CG 3.91Å; D197-R199 PolarHBondContact O-N 2.79Å; D197-R199 IonicContact OD2-CZ 2.66Å; D197-R199 IonicContact OD2-NE 3.14Å; D197-R199 PolarHBondContact OD2-NE 3.36Å; D197-R199 IonicContact OD2-NH2 3.23Å; D197-R199 PolarHBondContact OD2-NH2 3.43Å; D197-S278 PolarHBondContact OD1-OG 3Å; D197-S278 WeakPolarHBondContact OD2-CB 3.44Å; D197-S278 PolarHBondContact OD2-N 3.17Å; D197-S278 PolarHBondContact OD2-OG 3.07Å
198	H	88.6	Confident	87.9	Confident	139 Å²	139	55.5 Å²	55.5	64%	0.644	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	37.5	-175.1	-65.1	-70.2	0	0	0	113.9	Y193 D194 I195 R196	Y193-H198 WeakPolarHBondContact OH-CA 3.23Å; Y193-H198 PolarHBondContact OH-O 3.14Å; D194-H198 PolarHBondContact O-N 2.89Å; I195-H198 PolarHBondContact O-CE1 2.88Å; I195-H198 VanDerWaalsContact O-CE1 3.3Å; I195-H198 PolarHBondContact O-N 3.48Å; I195-H198 PolarHBondContact O-ND1 3.46Å; R196-H198 VanDerWaalsContact C-N 3.27Å
199	R	90.2	Very high	86.2	Confident	71 Å²	71	53.8 Å²	53.8	27%	0.268	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	156.8	-179.7	65.3	-172.1	157.4	171.6	-6.4	113	Y193 D194 D197 I201 G275 L276 P277	Y193-R199 VanDerWaalsContact CD2-C 3.46Å; D194-R199 PolarHBondContact N-O 3.2Å; D194-R199 VanDerWaalsContact N-O 3.1Å; D194-R199 PolarHBondContact O-N 3.26Å; D197-R199 HydrophobicContact CB-CG 3.91Å; D197-R199 PolarHBondContact O-N 2.79Å; D197-R199 IonicContact OD2-CZ 2.66Å; D197-R199 IonicContact OD2-NE 3.14Å; D197-R199 PolarHBondContact OD2-NE 3.36Å; D197-R199 IonicContact OD2-NH2 3.23Å; D197-R199 PolarHBondContact OD2-NH2 3.43Å; R199-I201 PolarHBondContact O-N 2.7Å; R199-G275 PolarHBondContact NH1-O 3.49Å; R199-L276 PolarHBondContact NH1-O 2.95Å; R199-L276 PolarHBondContact NH2-O 3.2Å; R199-P277 VanDerWaalsContact NH2-CA 3.29Å
200	P	91.8	Very high	84.1	Confident	36 Å²	36	61.8 Å²	61.8	23%	0.234	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	130.8	164.8	-23.3	34.5	0	0	0	111.8	A166 V192 Y193 F203	A166-P200 HydrophobicContact CB-CG 3.81Å; V192-P200 CarbonylContact O-C 3.53Å; Y193-P200 HydrophobicContact CD2-CG 4.02Å; Y193-P200 HydrophobicContact CE2-CG 4.47Å; P200-F203 HydrophobicContact CB-CD2 4.39Å; P200-F203 HydrophobicContact CB-CE2 3.54Å; P200-F203 HydrophobicContact CB-CZ 3.81Å; P200-F203 HydrophobicContact CG-CE2 3.88Å; P200-F203 HydrophobicContact CG-CZ 3.76Å
201	I	91.4	Very high	82	Confident	17 Å²	17	68 Å²	68	9%	0.087	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-48.9	167.3	-62.9	165.8	0	0	0	109.7	I181 V192 D194 R199 P277 R279 V281	I181-I201 HydrophobicContact CD1-CD1 3.95Å; V192-I201 HydrophobicContact CB-CB 4.45Å; V192-I201 HydrophobicContact CG1-CB 4.45Å; V192-I201 HydrophobicContact CG1-CD1 3.98Å; V192-I201 PolarHBondContact O-N 2.76Å; D194-I201 HydrophobicContact CB-CD1 3.74Å; D194-I201 HydrophobicContact CB-CG1 3.81Å; R199-I201 PolarHBondContact O-N 2.7Å; I201-P277 HydrophobicContact CG1-CB 4.47Å; I201-P277 HydrophobicContact CG2-CB 4.41Å; I201-R279 HydrophobicContact CD1-CB 3.89Å; I201-R279 HydrophobicContact CG1-CB 4.39Å; I201-R279 WeakPolarHBondContact CG2-O 3.34Å; I201-V281 HydrophobicContact CG2-CG2 3.9Å
202	T	92.5	Very high	79.9	Confident	45 Å²	45	70.1 Å²	70.1	28%	0.276	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	159.5	-177.8	-165.8	0	0	0	0	112.4	V192 I204 V281	V192-T202 HydrophobicContact CB-CG2 4.05Å; V192-T202 HydrophobicContact CG2-CG2 3.77Å; V192-T202 PolarHBondContact N-O 3.27Å; V192-T202 PolarHBondContact O-N 2.96Å; T202-I204 HydrophobicContact CG2-CD1 4.37Å; T202-I204 HydrophobicContact CG2-CG1 3.97Å; T202-V281 HydrophobicContact CG2-CB 3.72Å; T202-V281 HydrophobicContact CG2-CG1 4.42Å; T202-V281 HydrophobicContact CG2-CG2 3.67Å
203	F	91.7	Very high	77.6	Confident	74 Å²	74	78.9 Å²	78.9	33%	0.325	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	111	167.3	-67.1	-91.6	0	0	0	108.9	H169 I190 C191 P200 Q205	H169-F203 AromaticContact CD2-CD1 3.92Å; H169-F203 AromaticContact CD2-CE1 3.87Å; H169-F203 AromaticContact NE2-CD1 3.72Å; H169-F203 AromaticContact NE2-CE1 3.63Å; I190-F203 CarbonylContact O-C 3.53Å; I190-F203 WeakPolarHBondContact O-CA 3.42Å; C191-F203 HydrophobicContact CB-CD1 3.77Å; C191-F203 HydrophobicContact CB-CE1 3.68Å; C191-F203 WeakPolarHBondContact SG-CE1 2.85Å; P200-F203 HydrophobicContact CB-CD2 4.39Å; P200-F203 HydrophobicContact CB-CE2 3.54Å; P200-F203 HydrophobicContact CB-CZ 3.81Å; P200-F203 HydrophobicContact CG-CE2 3.88Å; P200-F203 HydrophobicContact CG-CZ 3.76Å; F203-Q205 PolarHBondContact O-N 3.01Å
204	I	91.7	Very high	75.6	Confident	14 Å²	14	80.7 Å²	80.7	7%	0.072	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	104.9	178	-56.7	170.6	0	0	0	107.4	C189 I190 V192 T202 F228 I230 V281 I283	C189-I204 CarbonylContact C-O 3.59Å; C189-I204 VanDerWaalsContact CA-O 3.29Å; C189-I204 WeakPolarHBondContact CA-O 3.42Å; C189-I204 WeakPolarHBondContact CB-O 3.33Å; I190-I204 HydrophobicContact CB-CB 4.36Å; I190-I204 PolarHBondContact N-O 3.29Å; I190-I204 PolarHBondContact O-N 3.46Å; V192-I204 HydrophobicContact CG2-CD1 4.46Å; T202-I204 HydrophobicContact CG2-CD1 4.37Å; T202-I204 HydrophobicContact CG2-CG1 3.97Å; I204-F228 HydrophobicContact CD1-CZ 4.33Å; I204-I230 HydrophobicContact CD1-CD1 3.77Å; I204-I230 HydrophobicContact CG2-CD1 4.37Å; I204-V281 HydrophobicContact CD1-CG1 4.33Å; I204-I283 HydrophobicContact CG2-CD1 4.38Å
205	Q	87.5	Confident	74.1	Confident	147 Å²	147	86.7 Å²	86.7	69%	0.687	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	144.7	179.7	-67	-175.1	-12.8	0	0	111.6	C189 F203 R237	C189-Q205 HydrophobicContact CB-CG 4.44Å; F203-Q205 PolarHBondContact O-N 3.01Å; Q205-R237 PolarHBondContact O-NH1 3.03Å
206	F	82.2	Confident	73	Confident	36 Å²	36	85.8 Å²	85.8	16%	0.158	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-75.7	132.9	164.7	-57	-60.1	0	0	0	109	A185 D186 K188 I190 C218 R232	A185-F206 HydrophobicContact CB-CZ 4.42Å; D186-F206 VanDerWaalsContact O-CE2 3.28Å; D186-F206 WeakPolarHBondContact O-CE2 3.25Å; K188-F206 WeakPolarHBondContact O-CD2 3.36Å; K188-F206 PolarHBondContact O-N 2.89Å; K188-F206 VanDerWaalsContact O-N 3.15Å; I190-F206 HydrophobicContact CD1-CE1 3.58Å; I190-F206 HydrophobicContact CD1-CZ 3.74Å; I190-F206 HydrophobicContact CG1-CE1 3.93Å; I190-F206 HydrophobicContact CG1-CE2 4.47Å; I190-F206 HydrophobicContact CG1-CZ 3.55Å; F206-C218 HydrophobicContact CZ-CB 4.12Å; F206-R232 HydrophobicContact CD1-CB 4.47Å; F206-R232 HydrophobicContact CE1-CB 4.29Å; F206-R232 VanDerWaalsContact CE1-CD 3.44Å; F206-R232 HydrophobicContact CE1-CG 4.49Å
207	T	68.3	Low	72.6	Confident	109 Å²	109	86.2 Å²	86.2	67%	0.669	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-66.6	139.1	170.3	29.1	0	0	0	0	109.5
208	N	56.1	Low	72.7	Confident	137 Å²	137	84.4 Å²	84.4	73%	0.733	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-48.4	138.3	-164.1	-101.1	-4.8	0	0	0	114.5	E210	N208-E210 VanDerWaalsContact C-N 3.32Å; N208-E210 PolarHBondContact O-N 3.14Å
209	P	52.4	Low	72.8	Confident	95 Å²	95	78.6 Å²	78.6	62%	0.617	43%	0.425	S	S	*	.			trans	-87.9	55.2	-171.8	38.3	-36.8	0	0	0	112.3	I211	P209-I211 VanDerWaalsContact C-N 3.29Å; P209-I211 PolarHBondContact O-N 2.91Å
210	E	46.5	Very low	73	Confident	173 Å²	173	75.5 Å²	75.5	81%	0.808	41%	0.414	S	S	*	.			trans	-80.5	-2.3	-175.9	-71.8	-170.1	-179.8	0	0	114.6	N208	N208-E210 VanDerWaalsContact C-N 3.32Å; N208-E210 PolarHBondContact O-N 3.14Å
211	I	49.7	Very low	73.1	Confident	130 Å²	130	74.9 Å²	74.9	67%	0.667	41%	0.409	S	S	*	.	S	Bend	trans	-118.8	-14.2	-168.2	-56.2	178.2	0	0	0	115.1	P209	P209-I211 VanDerWaalsContact C-N 3.29Å; P209-I211 PolarHBondContact O-N 2.91Å
212	T	49.9	Very low	73.1	Confident	45 Å²	45	76 Å²	76	28%	0.276	41%	0.413	S	S	.	.			trans	-120.3	115.1	-175	61.9	0	0	0	0	113.5	S214	T212-S214 PolarHBondContact O-N 2.98Å
213	N	48.7	Very low	72.9	Confident	184 Å²	184	74.9 Å²	74.9	98%	0.984	41%	0.407	S	S	*	.	S	Bend	trans	-66.8	3.7	172.9	-82.4	-24.4	0	0	0	114.3
214	S	53.3	Low	72.8	Confident	48 Å²	48	75 Å²	75	34%	0.336	41%	0.414	S	S	.	.	S	Bend	trans	-114.4	141.4	178.7	59.3	0	0	0	0	111.7	T212 T216	T212-S214 PolarHBondContact O-N 2.98Å; S214-T216 PolarHBondContact O-N 3.35Å
215	P	60.4	Low	72.5	Confident	127 Å²	127	80.5 Å²	80.5	83%	0.825	44%	0.439	S	S	*	.			trans	-67.2	104.7	173.4	27.2	-32.2	0	0	0	109.4	I217	P215-I217 PolarHBondContact O-N 2.86Å
216	T	67.4	Low	72.7	Confident	23 Å²	23	76.3 Å²	76.3	14%	0.141	42%	0.421	C	S	.	.			trans	-76.7	115.9	176.7	49.4	0	0	0	0	110	S214 R232	S214-T216 PolarHBondContact O-N 3.35Å; T216-R232 PolarHBondContact OG1-NE 3.03Å
217	I	77.6	Confident	73.2	Confident	117 Å²	117	75.3 Å²	75.3	60%	0.6	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-78.1	138.8	176.7	-58.6	172.9	0	0	0	108.2	P215	P215-I217 PolarHBondContact O-N 2.86Å
218	C	88.6	Confident	74.4	Confident	5 Å²	5	70.1 Å²	70.1	3%	0.034	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-84.9	129.4	173.8	-177.2	0	0	0	0	110.2	A185 F206 S231	A185-C218 HydrophobicContact CB-CB 3.84Å; F206-C218 HydrophobicContact CZ-CB 4.12Å; C218-S231 CarbonylContact C-O 3.51Å; C218-S231 VanDerWaalsContact CA-O 3.31Å; C218-S231 WeakPolarHBondContact CA-O 3.28Å; C218-S231 PolarHBondContact SG-O 3.09Å
219	S	91.2	Very high	76.3	Confident	18 Å²	18	63.6 Å²	63.6	13%	0.126	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	138	168.5	-168	0	0	0	0	110.5	S231 S297	S219-S231 WeakPolarHBondContact CB-OG 3.46Å; S219-S231 PolarHBondContact N-O 3.06Å; S219-S231 PolarHBondContact O-N 2.78Å; S219-S297 PolarHBondContact OG-OG 3.45Å
220	L	94	Very high	78.3	Confident	6 Å²	6	59.3 Å²	59.3	3%	0.031	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	126.3	179.7	-64.9	176.8	0	0	0	108.8	T174 K176 L183 A185 I190 L229 I230	T174-L220 HydrophobicContact CG2-CD1 3.78Å; T174-L220 HydrophobicContact CG2-CG 4.07Å; K176-L220 WeakPolarHBondContact CE-O 3.19Å; K176-L220 HydrophobicContact CG-CB 3.87Å; L183-L220 HydrophobicContact CB-CD1 4.08Å; A185-L220 HydrophobicContact CB-CD1 4.26Å; I190-L220 HydrophobicContact CD1-CD2 4.05Å; I190-L220 HydrophobicContact CG1-CD2 4.38Å; I190-L220 HydrophobicContact CG2-CD2 4.33Å; L220-L229 WeakPolarHBondContact CA-O 3.26Å; L220-I230 HydrophobicContact CD2-CG1 4.05Å
221	C	93.4	Very high	80.4	Confident	22 Å²	22	51.1 Å²	51.1	15%	0.149	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	133.1	178.2	-170.8	0	0	0	0	110.8	F228 L229 V298	C221-F228 CarbonylContact O-C 3.59Å; C221-F228 VanDerWaalsContact O-CA 3.26Å; C221-F228 WeakPolarHBondContact O-CA 3.17Å; C221-F228 WeakPolarHBondContact O-CB 3.46Å; C221-L229 HydrophobicContact CB-CB 4.41Å; C221-L229 PolarHBondContact N-O 2.92Å; C221-L229 PolarHBondContact O-N 2.77Å; C221-V298 HydrophobicContact CB-CG2 4.48Å; C221-V298 WeakPolarHBondContact CB-O 3.14Å
222	W	92.3	Very high	82.2	Confident	40 Å²	40	47.1 Å²	47.1	15%	0.152	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	130.6	171.3	-73.6	104.5	0	0	0	109.9	H178 I181 L183 F228 I241	H178-W222 HydrophobicContact CB-CD2 3.7Å; H178-W222 HydrophobicContact CB-CE3 4.44Å; H178-W222 HydrophobicContact CB-CG 3.82Å; H178-W222 HydrophobicContact CB-CZ2 3.87Å; H178-W222 VanDerWaalsContact CB-NE1 3.33Å; I181-W222 HydrophobicContact CB-CH2 3.83Å; I181-W222 HydrophobicContact CB-CZ2 4.08Å; I181-W222 HydrophobicContact CG2-CH2 3.68Å; I181-W222 HydrophobicContact CG2-CZ2 3.94Å; L183-W222 HydrophobicContact CD1-CD2 4.21Å; L183-W222 HydrophobicContact CD1-CH2 3.87Å; L183-W222 HydrophobicContact CD1-CZ2 3.36Å; L183-W222 HydrophobicContact CD1-CZ3 4.46Å; L183-W222 HydrophobicContact CD2-CH2 4.48Å; L183-W222 HydrophobicContact CD2-CZ2 4.33Å; L183-W222 HydrophobicContact CG-CH2 4.08Å; L183-W222 HydrophobicContact CG-CZ2 3.5Å; L183-W222 VanDerWaalsContact CG-CZ2 3.5Å; W222-F228 HydrophobicContact CD2-CB 4.1Å; W222-F228 HydrophobicContact CE3-CB 3.72Å; W222-F228 HydrophobicContact CE3-CD1 4.5Å; W222-F228 HydrophobicContact CH2-CD1 4.28Å; W222-F228 HydrophobicContact CZ3-CB 4.03Å; W222-F228 AromaticContact CZ3-CD1 3.95Å; W222-F228 HydrophobicContact CZ3-CD1 3.95Å; W222-F228 HydrophobicContact CZ3-CG 4.37Å; W222-I241 HydrophobicContact CH2-CD1 3.79Å; W222-I241 HydrophobicContact CZ3-CD1 3.98Å
223	C	89	Confident	83.9	Confident	23 Å²	23	45.4 Å²	45.4	16%	0.155	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-44	173.5	-71.7	0	0	0	0	111.5	C227 L229 R300	C223-C227 HydrophobicContact CB-CB 4.12Å; C223-C227 PolarHBondContact N-O 3.18Å; C223-L229 WeakPolarHBondContact SG-CG 3.48Å; C223-R300 WeakPolarHBondContact O-CD 3.42Å; C223-R300 PolarHBondContact O-NE 3.11Å; C223-R300 VanDerWaalsContact O-NE 3.12Å
224	T	88.2	Confident	85.7	Confident	76 Å²	76	39 Å²	39	47%	0.466	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	-178.5	178.2	69.6	0	0	0	0	109	N226 C227	T224-N226 PolarHBondContact O-N 3.46Å; T224-N226 VanDerWaalsContact O-N 3.14Å; T224-N226 PolarHBondContact OG1-N 3.15Å; T224-C227 PolarHBondContact N-O 3Å; T224-C227 PolarHBondContact O-N 3.48Å; T224-C227 WeakPolarHBondContact OG1-CB 3.33Å; T224-C227 PolarHBondContact OG1-N 2.88Å; T224-C227 VanDerWaalsContact OG1-N 3.1Å
225	E	86.8	Confident	87.3	Confident	129 Å²	129	37.7 Å²	37.7	60%	0.603	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-29.2	176.1	-62.8	-178.2	175.5	0	0	113.5
226	N	90.4	Very high	88.8	Confident	59 Å²	59	31.7 Å²	31.7	32%	0.316	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122	3.6	-174.4	-66.2	-31.6	0	0	0	113.4	T224 Q240 I241	T224-N226 PolarHBondContact O-N 3.46Å; T224-N226 VanDerWaalsContact O-N 3.14Å; T224-N226 PolarHBondContact OG1-N 3.15Å; N226-Q240 VanDerWaalsContact CB-NE2 3.31Å; N226-Q240 CarbonylContact O-C 3.59Å; N226-Q240 WeakPolarHBondContact O-CA 3.36Å; N226-Q240 PolarHBondContact O-NE2 3.33Å; N226-I241 HydrophobicContact CB-CB 4.38Å; N226-I241 PolarHBondContact O-N 3.26Å
227	C	93	Very high	90	Very high	15 Å²	15	31.6 Å²	31.6	10%	0.101	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	132.6	-178.4	-177	0	0	0	0	110.7	C223 T224 C239	C223-C227 HydrophobicContact CB-CB 4.12Å; C223-C227 PolarHBondContact N-O 3.18Å; T224-C227 PolarHBondContact N-O 3Å; T224-C227 PolarHBondContact O-N 3.48Å; T224-C227 WeakPolarHBondContact OG1-CB 3.33Å; T224-C227 PolarHBondContact OG1-N 2.88Å; T224-C227 VanDerWaalsContact OG1-N 3.1Å; C227-C239 WeakPolarHBondContact CA-O 3.4Å
228	F	94.5	Very high	90.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	152.5	177.2	66.5	-85.2	0	0	0	112.4	L183 V192 I204 C221 W222 I230 C239 I241 V281	L183-F228 HydrophobicContact CD1-CB 3.85Å; L183-F228 HydrophobicContact CD1-CD1 4.03Å; L183-F228 HydrophobicContact CD1-CD2 3.54Å; L183-F228 HydrophobicContact CD1-CE1 4.48Å; L183-F228 HydrophobicContact CD1-CE2 4.01Å; L183-F228 HydrophobicContact CD1-CG 3.54Å; L183-F228 HydrophobicContact CD1-CZ 4.47Å; L183-F228 HydrophobicContact CD2-CD1 4.42Å; L183-F228 HydrophobicContact CD2-CD2 4.39Å; L183-F228 HydrophobicContact CD2-CE1 4.1Å; L183-F228 HydrophobicContact CD2-CE2 4.03Å; L183-F228 HydrophobicContact CD2-CZ 3.9Å; V192-F228 HydrophobicContact CG2-CE1 4.34Å; V192-F228 HydrophobicContact CG2-CZ 3.74Å; I204-F228 HydrophobicContact CD1-CZ 4.33Å; C221-F228 CarbonylContact O-C 3.59Å; C221-F228 VanDerWaalsContact O-CA 3.26Å; C221-F228 WeakPolarHBondContact O-CA 3.17Å; C221-F228 WeakPolarHBondContact O-CB 3.46Å; W222-F228 HydrophobicContact CD2-CB 4.1Å; W222-F228 HydrophobicContact CE3-CB 3.72Å; W222-F228 HydrophobicContact CE3-CD1 4.5Å; W222-F228 HydrophobicContact CH2-CD1 4.28Å; W222-F228 HydrophobicContact CZ3-CB 4.03Å; W222-F228 AromaticContact CZ3-CD1 3.95Å; W222-F228 HydrophobicContact CZ3-CD1 3.95Å; W222-F228 HydrophobicContact CZ3-CG 4.37Å; F228-I230 HydrophobicContact CD2-CG1 4Å; F228-I230 HydrophobicContact CE2-CD1 3.82Å; F228-I230 HydrophobicContact CE2-CG1 3.76Å; F228-C239 HydrophobicContact CD1-CB 3.98Å; F228-C239 HydrophobicContact CD2-CB 4.05Å; F228-C239 HydrophobicContact CE1-CB 3.52Å; F228-C239 HydrophobicContact CE2-CB 3.63Å; F228-C239 HydrophobicContact CG-CB 4.22Å; F228-C239 HydrophobicContact CZ-CB 3.33Å; F228-C239 PolarHBondContact N-O 3.12Å; F228-C239 PolarHBondContact O-N 3.44Å; F228-I241 HydrophobicContact CD1-CD1 4.2Å; F228-I241 HydrophobicContact CD1-CG1 4.22Å; F228-I241 HydrophobicContact CE1-CD1 4.04Å; F228-I241 HydrophobicContact CE1-CG1 3.87Å; F228-V281 HydrophobicContact CE1-CG1 4.09Å; F228-V281 HydrophobicContact CZ-CG1 4.03Å
229	L	94.3	Very high	91	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	141.6	176.9	-56.4	177.1	0	0	0	110.2	L220 C221 C223 R237 I238 V298 I305	L220-L229 WeakPolarHBondContact CA-O 3.26Å; C221-L229 HydrophobicContact CB-CB 4.41Å; C221-L229 PolarHBondContact N-O 2.92Å; C221-L229 PolarHBondContact O-N 2.77Å; C223-L229 WeakPolarHBondContact SG-CG 3.48Å; L229-R237 WeakPolarHBondContact CA-O 3.25Å; L229-I238 HydrophobicContact CD2-CB 4.23Å; L229-I238 HydrophobicContact CD2-CD1 4.42Å; L229-I238 HydrophobicContact CD2-CG1 3.74Å; L229-I238 HydrophobicContact CD2-CG2 4.17Å; L229-V298 HydrophobicContact CB-CG2 3.91Å; L229-V298 HydrophobicContact CD1-CB 4.37Å; L229-V298 HydrophobicContact CD1-CG2 4.44Å; L229-I305 HydrophobicContact CD1-CD1 4.1Å; L229-I305 HydrophobicContact CD1-CG1 4.22Å; L229-I305 HydrophobicContact CD1-CG2 4.1Å; L229-I305 HydrophobicContact CD2-CD1 3.76Å
230	I	94.4	Very high	91.1	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.026	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.4	169.1	-58	169.1	0	0	0	106.7	I190 I204 L220 F228 I236 R237 C239	I190-I230 HydrophobicContact CD1-CB 4.07Å; I190-I230 HydrophobicContact CD1-CD1 3.61Å; I190-I230 HydrophobicContact CD1-CG1 3.76Å; I190-I230 HydrophobicContact CD1-CG2 3.2Å; I204-I230 HydrophobicContact CD1-CD1 3.77Å; I204-I230 HydrophobicContact CG2-CD1 4.37Å; L220-I230 HydrophobicContact CD2-CG1 4.05Å; F228-I230 HydrophobicContact CD2-CG1 4Å; F228-I230 HydrophobicContact CE2-CD1 3.82Å; F228-I230 HydrophobicContact CE2-CG1 3.76Å; I230-I236 CarbonylContact O-C 3.57Å; I230-I236 VanDerWaalsContact O-CA 3.3Å; I230-I236 WeakPolarHBondContact O-CA 3.45Å; I230-R237 HydrophobicContact CB-CB 4.24Å; I230-R237 PolarHBondContact N-O 3.1Å; I230-R237 PolarHBondContact O-N 3.26Å; I230-C239 WeakPolarHBondContact CD1-SG 3.41Å
231	S	91.7	Very high	91	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	140.7	161.8	73.7	0	0	0	0	111.7	C218 S219 S235	C218-S231 CarbonylContact C-O 3.51Å; C218-S231 VanDerWaalsContact CA-O 3.31Å; C218-S231 WeakPolarHBondContact CA-O 3.28Å; C218-S231 PolarHBondContact SG-O 3.09Å; S219-S231 WeakPolarHBondContact CB-OG 3.46Å; S219-S231 PolarHBondContact N-O 3.06Å; S219-S231 PolarHBondContact O-N 2.78Å; S231-S235 WeakPolarHBondContact CA-O 3.45Å
232	R	87.6	Confident	90.9	Very high	46 Å²	46	28.9 Å²	28.9	17%	0.174	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	129.9	170.1	-171.7	175.2	178.4	147	-7.5	109.7	D187 F206 T216 H234 S235	D187-R232 PolarHBondContact O-NH1 2.98Å; D187-R232 PolarHBondContact O-NH2 3.2Å; F206-R232 HydrophobicContact CD1-CB 4.47Å; F206-R232 HydrophobicContact CE1-CB 4.29Å; F206-R232 VanDerWaalsContact CE1-CD 3.44Å; F206-R232 HydrophobicContact CE1-CG 4.49Å; T216-R232 PolarHBondContact OG1-NE 3.03Å; R232-H234 PolarHBondContact O-N 3.42Å; R232-S235 PolarHBondContact N-O 2.9Å; R232-S235 VanDerWaalsContact N-O 3.08Å; R232-S235 PolarHBondContact O-N 3.37Å; R232-S235 VanDerWaalsContact O-N 3.14Å; R232-S235 PolarHBondContact O-OG 2.96Å
233	G	84.7	Confident	90.8	Very high	9 Å²	9	30 Å²	30	9%	0.093	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	-123.4	-177.8	0	0	0	0	0	110.9	I295	G233-I295 VanDerWaalsContact O-CB 3.25Å; G233-I295 WeakPolarHBondContact O-CB 3.29Å; G233-I295 WeakPolarHBondContact O-CG1 3.45Å; G233-I295 PolarHBondContact O-N 3.43Å
234	H	86.5	Confident	90.3	Very high	51 Å²	51	34.6 Å²	34.6	24%	0.236	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	9.1	176.3	57	-102.3	0	0	0	113	R232 M289 D291 I293	R232-H234 PolarHBondContact O-N 3.42Å; H234-M289 HydrophobicContact CB-CB 4.48Å; H234-M289 PolarHBondContact O-N 2.98Å; H234-D291 IonicContact CE1-OD1 3.33Å; H234-D291 PolarHBondContact CE1-OD1 3.44Å; H234-D291 IonicContact CG-OD1 3.15Å; H234-D291 IonicContact ND1-OD1 3.7Å; H234-D291 PolarHBondContact ND1-OD1 3.46Å; H234-D291 IonicContact NE2-OD1 3.45Å; H234-I293 WeakPolarHBondContact CB-O 3.24Å
235	S	88.6	Confident	89.4	Confident	20 Å²	20	36.3 Å²	36.3	14%	0.14	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	140	-173.1	71.7	0	0	0	0	113	S231 R232 I287	S231-S235 WeakPolarHBondContact CA-O 3.45Å; R232-S235 PolarHBondContact N-O 2.9Å; R232-S235 VanDerWaalsContact N-O 3.08Å; R232-S235 PolarHBondContact O-N 3.37Å; R232-S235 VanDerWaalsContact O-N 3.14Å; R232-S235 PolarHBondContact O-OG 2.96Å; S235-I287 WeakPolarHBondContact CA-O 3.25Å
236	I	91.4	Very high	87.9	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132.6	171.1	-51.2	171.7	0	0	0	107.9	I230 Q286 I287 I295 V298 I305 L307 L325	I230-I236 CarbonylContact O-C 3.57Å; I230-I236 VanDerWaalsContact O-CA 3.3Å; I230-I236 WeakPolarHBondContact O-CA 3.45Å; I236-Q286 CarbonylContact O-C 2.94Å; I236-Q286 WeakPolarHBondContact O-CA 3.24Å; I236-I287 HydrophobicContact CB-CB 4.29Å; I236-I287 PolarHBondContact N-O 3.48Å; I236-I287 PolarHBondContact O-N 3.29Å; I236-I295 HydrophobicContact CD1-CD1 4.01Å; I236-I295 HydrophobicContact CG1-CD1 3.52Å; I236-V298 HydrophobicContact CD1-CG1 4.3Å; I236-V298 HydrophobicContact CG1-CG1 4.34Å; I236-I305 HydrophobicContact CG2-CD1 4.34Å; I236-L307 HydrophobicContact CD1-CD1 3.65Å; I236-L307 HydrophobicContact CG1-CD1 4.4Å; I236-L325 HydrophobicContact CD1-CD1 4.31Å
237	R	91.9	Very high	85.7	Confident	21 Å²	21	36.2 Å²	36.2	8%	0.079	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133.3	172.8	-64.2	176.2	177.1	163.4	7.5	110	Q205 L229 I230 I283 H285 Q286	Q205-R237 PolarHBondContact O-NH1 3.03Å; L229-R237 WeakPolarHBondContact CA-O 3.25Å; I230-R237 HydrophobicContact CB-CB 4.24Å; I230-R237 PolarHBondContact N-O 3.1Å; I230-R237 PolarHBondContact O-N 3.26Å; R237-I283 HydrophobicContact CB-CG2 4.17Å; R237-I283 HydrophobicContact CG-CG2 4.32Å; R237-H285 WeakPolarHBondContact CA-O 3.45Å; R237-Q286 HydrophobicContact CG-CB 4.18Å; R237-Q286 HydrophobicContact CG-CG 3.9Å
238	I	92.6	Very high	83	Confident	23 Å²	23	40.2 Å²	40.2	12%	0.118	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	118.6	171.9	-49.1	-174.1	0	0	0	107.5	L229 I283 V284 H285 I305 I327	L229-I238 HydrophobicContact CD2-CB 4.23Å; L229-I238 HydrophobicContact CD2-CD1 4.42Å; L229-I238 HydrophobicContact CD2-CG1 3.74Å; L229-I238 HydrophobicContact CD2-CG2 4.17Å; I238-I283 CarbonylContact O-C 3.31Å; I238-I283 WeakPolarHBondContact O-CA 3.24Å; I238-V284 PolarHBondContact O-N 2.69Å; I238-H285 HydrophobicContact CB-CB 4.17Å; I238-H285 HydrophobicContact CD1-CB 3.98Å; I238-H285 HydrophobicContact CG1-CB 4.13Å; I238-H285 PolarHBondContact N-O 2.94Å; I238-H285 PolarHBondContact O-N 2.99Å; I238-I305 HydrophobicContact CD1-CD1 3.88Å; I238-I305 HydrophobicContact CG1-CD1 4.2Å; I238-I327 HydrophobicContact CD1-CD1 3.51Å
239	C	94.1	Very high	80.2	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.3	-176.4	-60.8	0	0	0	0	110.2	C227 F228 I230 V281 E282	C227-C239 WeakPolarHBondContact CA-O 3.4Å; F228-C239 HydrophobicContact CD1-CB 3.98Å; F228-C239 HydrophobicContact CD2-CB 4.05Å; F228-C239 HydrophobicContact CE1-CB 3.52Å; F228-C239 HydrophobicContact CE2-CB 3.63Å; F228-C239 HydrophobicContact CG-CB 4.22Å; F228-C239 HydrophobicContact CZ-CB 3.33Å; F228-C239 PolarHBondContact N-O 3.12Å; F228-C239 PolarHBondContact O-N 3.44Å; I230-C239 WeakPolarHBondContact CD1-SG 3.41Å; C239-V281 HydrophobicContact CB-CG1 3.93Å; C239-E282 CarbonylContact C-O 3.54Å; C239-E282 VanDerWaalsContact CA-O 3.31Å; C239-E282 WeakPolarHBondContact CA-O 3.42Å
240	Q	93.6	Very high	77.4	Confident	58 Å²	58	56 Å²	56	27%	0.271	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.9	175.1	-177	67.2	34.2	0	0	109.6	N226 V281 E282 V284	N226-Q240 VanDerWaalsContact CB-NE2 3.31Å; N226-Q240 CarbonylContact O-C 3.59Å; N226-Q240 WeakPolarHBondContact O-CA 3.36Å; N226-Q240 PolarHBondContact O-NE2 3.33Å; Q240-V281 CarbonylContact O-C 3.47Å; Q240-V281 WeakPolarHBondContact O-CA 3.46Å; Q240-E282 PolarHBondContact N-O 3.26Å; Q240-E282 PolarHBondContact O-N 3.32Å; Q240-V284 HydrophobicContact CB-CG2 3.37Å; Q240-V284 HydrophobicContact CG-CG2 4.43Å
241	I	92.9	Very high	74.4	Confident	4 Å²	4	60.5 Å²	60.5	2%	0.021	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127.5	171.9	-51.4	-179.2	0	0	0	107.4	I181 V192 W222 N226 F228 R279 Y280 V281	I181-I241 HydrophobicContact CB-CD1 4.46Å; I181-I241 HydrophobicContact CG1-CD1 4.04Å; I181-I241 HydrophobicContact CG2-CD1 3.96Å; V192-I241 HydrophobicContact CG1-CD1 4.18Å; W222-I241 HydrophobicContact CH2-CD1 3.79Å; W222-I241 HydrophobicContact CZ3-CD1 3.98Å; N226-I241 HydrophobicContact CB-CB 4.38Å; N226-I241 PolarHBondContact O-N 3.26Å; F228-I241 HydrophobicContact CD1-CD1 4.2Å; F228-I241 HydrophobicContact CD1-CG1 4.22Å; F228-I241 HydrophobicContact CE1-CD1 4.04Å; F228-I241 HydrophobicContact CE1-CG1 3.87Å; I241-R279 HydrophobicContact CG2-CB 4.14Å; I241-R279 HydrophobicContact CG2-CG 4.3Å; I241-Y280 WeakPolarHBondContact CA-O 3.46Å; I241-V281 HydrophobicContact CG1-CG2 4.23Å
242	S	91.7	Very high	71.4	Confident	27 Å²	27	67.5 Å²	67.5	19%	0.189	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.5	-176.4	-64.9	0	0	0	0	110.5	R279 Y280	S242-R279 CarbonylContact O-C 3.59Å; S242-R279 VanDerWaalsContact O-CA 3.27Å; S242-R279 WeakPolarHBondContact O-CA 3.47Å; S242-Y280 VanDerWaalsContact CB-CE1 3.45Å; S242-Y280 VanDerWaalsContact CB-CZ 3.48Å; S242-Y280 PolarHBondContact N-O 3.01Å; S242-Y280 VanDerWaalsContact O-CD1 3.29Å; S242-Y280 WeakPolarHBondContact O-CD1 3.34Å; S242-Y280 PolarHBondContact O-N 3.42Å
243	D	88.1	Confident	68.8	Low	64 Å²	64	73.3 Å²	73.3	34%	0.342	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	139.2	173.9	-66.8	-36	0	0	0	110	T245 S246 R279	D243-T245 VanDerWaalsContact C-N 3.28Å; D243-T245 PolarHBondContact O-N 3.4Å; D243-S246 PolarHBondContact O-OG 3.11Å; D243-R279 WeakPolarHBondContact OD1-CG 3.36Å; D243-R279 IonicContact OD1-CZ 2.7Å; D243-R279 IonicContact OD1-NE 3.49Å; D243-R279 PolarHBondContact OD1-NE 3.3Å
244	R	80.4	Confident	66.2	Low	118 Å²	118	77.8 Å²	77.8	45%	0.445	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-18.9	-179.6	-71	-172.2	-179.3	-89	0	113.8	P277 S278 Y280	R244-P277 WeakPolarHBondContact CD-O 3.44Å; R244-P277 PolarHBondContact NE-O 3.03Å; R244-P277 VanDerWaalsContact NE-O 3.09Å; R244-S278 WeakPolarHBondContact CB-O 3.47Å; R244-S278 PolarHBondContact N-O 2.89Å; R244-Y280 HydrophobicContact CG-CD1 3.7Å
245	T	68.4	Low	63.7	Low	113 Å²	113	80.2 Å²	80.2	69%	0.693	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-3.2	-171.5	51.3	0	0	0	0	114.1	D243	D243-T245 VanDerWaalsContact C-N 3.28Å; D243-T245 PolarHBondContact O-N 3.4Å
246	S	56.4	Low	61	Low	76 Å²	76	86.8 Å²	86.8	53%	0.531	48%	0.482	S	S	.	.	S	Bend	trans	-93.7	-6.3	-179.5	51.2	0	0	0	0	114.3	D243 S248	D243-S246 PolarHBondContact O-OG 3.11Å; S246-S248 PolarHBondContact O-N 3.01Å
247	N	42.6	Very low	58.2	Low	110 Å²	110	91.9 Å²	91.9	59%	0.588	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	30.4	-170.6	-106	-2.1	0	0	0	115.7	Y280	N247-Y280 PolarHBondContact ND2-OH 3.5Å
248	S	36.8	Very low	55.4	Low	99 Å²	99	95.5 Å²	95.5	69%	0.692	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	6	174.2	66	0	0	0	0	116.5	S246	S246-S248 PolarHBondContact O-N 3.01Å
249	D	35.1	Very low	52.7	Low	142 Å²	142	102 Å²	102	76%	0.759	58%	0.581	S	S	*	*	S	Bend	trans	-139.8	29.3	-175.8	-81.4	-38.5	0	0	0	116.6
250	H	36.9	Very low	49.9	Very low	190 Å²	190	108.3 Å²	108.3	88%	0.88	62%	0.619	S	S	*	*			trans	-118.7	64.6	168.2	-79.8	-41.5	0	0	0	112.8
251	S	29.9	Very low	47.1	Very low	100 Å²	100	114.4 Å²	114.4	70%	0.699	65%	0.648	S	S	*	*			trans	-136.7	126.4	148.7	65.4	0	0	0	0	109
252	L	30.1	Very low	44	Very low	147 Å²	147	125 Å²	125	77%	0.77	69%	0.687	S	S	*	*	S	Bend	trans	102.9	104.5	167.5	-55.9	157.6	0	0	0	118.1
253	H	33.4	Very low	41.3	Very low	167 Å²	167	128.8 Å²	128.8	77%	0.773	71%	0.714	S	S	*	*			trans	71.6	108.4	139.8	-62.7	-57.8	0	0	0	122.1
254	S	29.5	Very low	38.7	Very low	103 Å²	103	131.1 Å²	131.1	72%	0.72	74%	0.736	S	S	*	*				24.6	126.6	119.5	-170.6	0	0	0	0	119.6
255	S	33.2	Very low	36.5	Very low	102 Å²	102	135 Å²	135	71%	0.713	76%	0.758	S	S	*	*			trans	89.5	114.5	145.2	62.7	0	0	0	0	121.1
256	N	32.6	Very low	34.8	Very low	158 Å²	158	134.4 Å²	134.4	85%	0.845	76%	0.759	S	S	*	*			trans	60.3	124.5	140.5	-73.8	-9.5	0	0	0	122.5
257	S	33	Very low	33.7	Very low	108 Å²	108	139.6 Å²	139.6	76%	0.755	78%	0.78	S	S	*	*			trans	111	114.8	130.6	78.3	0	0	0	0	119
258	S	33.3	Very low	33.3	Very low	97 Å²	97	139 Å²	139	68%	0.678	79%	0.785	S	S	*	*			trans	59.3	120.9	135.6	44.7	0	0	0	0	123.1
259	L	34.2	Very low	33.2	Very low	158 Å²	158	140 Å²	140	83%	0.827	79%	0.792	S	S	*	*			trans	60.5	116.4	136.5	-72.6	125.9	0	0	0	119.2
260	T	35.2	Very low	33.5	Very low	133 Å²	133	138.8 Å²	138.8	82%	0.816	79%	0.789	S	S	*	*				171.2	143.8	100.7	37.6	0	0	0	0	112.4
261	H	35.4	Very low	33.4	Very low	187 Å²	187	138.5 Å²	138.5	87%	0.866	79%	0.788	S	S	*	*			trans	-54.7	132.5	165.2	-92.8	-84.1	0	0	0	112.5
262	R	28.5	Very low	33.9	Very low	225 Å²	225	137.7 Å²	137.7	85%	0.849	78%	0.781	S	S	*	*				179.5	124.1	121.2	-105.4	174.4	177	-174	-1.1	112.9
263	S	34.5	Very low	34.6	Very low	108 Å²	108	140.3 Å²	140.3	76%	0.755	78%	0.781	S	S	*	*			trans	36.4	118.8	139.7	50.5	0	0	0	0	119.8
264	S	34	Very low	35.5	Very low	113 Å²	113	140.9 Å²	140.9	79%	0.79	79%	0.788	S	S	*	*			trans	-131.8	104.8	162.2	-29	0	0	0	0	110.6
265	Q	33	Very low	37.3	Very low	198 Å²	198	139 Å²	139	93%	0.925	78%	0.784	S	S	*	*			trans	-80.6	119.2	139.4	-74.8	178.6	-15.7	0	0	106.2
266	S	33.5	Very low	39.2	Very low	102 Å²	102	137.7 Å²	137.7	71%	0.713	77%	0.769	S	S	*	*			trans	-164.1	119.2	149.6	57.6	0	0	0	0	110.3	S268	S266-S268 PolarHBondContact O-N 3.29Å
267	L	32.3	Very low	41.4	Very low	184 Å²	184	131 Å²	131	96%	0.963	74%	0.735	S	S	*	*			trans	-55.3	124.4	162.1	-67.8	115.1	0	0	0	109.8
268	S	35.7	Very low	43.8	Very low	99 Å²	99	127.5 Å²	127.5	69%	0.692	71%	0.71	S	S	*	*			trans	-132.5	99.3	153.3	59.8	0	0	0	0	108.6	S266 V270	S266-S268 PolarHBondContact O-N 3.29Å; S268-V270 PolarHBondContact O-N 3.29Å
269	S	34.1	Very low	46.5	Very low	120 Å²	120	123.9 Å²	123.9	84%	0.839	68%	0.682	S	S	*	*			trans	-39.6	115	156.6	46.3	0	0	0	0	111.6
270	V	41	Very low	49.2	Very low	115 Å²	115	118.9 Å²	118.9	70%	0.697	65%	0.652	S	S	*	*			trans	-115.8	109.3	157.3	179.3	0	0	0	0	106	S268 C272	S268-V270 PolarHBondContact O-N 3.29Å; V270-C272 PolarHBondContact O-N 3.42Å
271	E	35.8	Very low	52	Low	184 Å²	184	113.8 Å²	113.8	86%	0.86	62%	0.621	S	S	*	*			trans	-51.4	105.4	167.2	-74.5	172.7	137.5	0	0	108.4	R273	E271-R273 PolarHBondContact O-N 3.22Å
272	C	39.9	Very low	54.6	Low	83 Å²	83	109.4 Å²	109.4	56%	0.561	60%	0.6	S	S	*	*			trans	-57.1	108.8	159.3	-166.9	0	0	0	0	105.3	V270 I274	V270-C272 PolarHBondContact O-N 3.42Å; C272-I274 PolarHBondContact O-N 2.72Å
273	R	44.3	Very low	57.5	Low	203 Å²	203	102.1 Å²	102.1	77%	0.766	58%	0.578	S	S	*	*			trans	-46	111.2	175.7	-71.8	-175.4	-179	179.3	1.9	107.4	E271 G275 L276	E271-R273 PolarHBondContact O-N 3.22Å; R273-G275 PolarHBondContact O-N 2.88Å; R273-L276 HydrophobicContact CB-CD1 4.12Å; R273-L276 PolarHBondContact O-N 3.31Å
274	I	52.2	Low	60.1	Low	178 Å²	178	100.3 Å²	100.3	91%	0.913	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.8	116	-165.7	-63.4	164.8	0	0	0	108.9	C272	C272-I274 PolarHBondContact O-N 2.72Å
275	G	66.8	Low	62.6	Low	63 Å²	63	95.7 Å²	95.7	65%	0.649	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	107	-14.1	174.4	0	0	0	0	0	117.5	R199 R273	R199-G275 PolarHBondContact NH1-O 3.49Å; R273-G275 PolarHBondContact O-N 2.88Å
276	L	74.2	Confident	65.2	Low	76 Å²	76	89.2 Å²	89.2	40%	0.398	50%	0.497	S	S	.	.			trans	-86.2	143.5	179.6	-72.1	169	0	0	0	113	R199 R273	R199-L276 PolarHBondContact NH1-O 2.95Å; R199-L276 PolarHBondContact NH2-O 3.2Å; R273-L276 HydrophobicContact CB-CD1 4.12Å; R273-L276 PolarHBondContact O-N 3.31Å
277	P	79.3	Confident	67.8	Low	17 Å²	17	84.4 Å²	84.4	11%	0.11	46%	0.464	C	S	.	.			trans	-55.4	144.1	171.9	-24.8	35.1	0	0	0	113	R199 I201 R244 R279	R199-P277 VanDerWaalsContact NH2-CA 3.29Å; I201-P277 HydrophobicContact CG1-CB 4.47Å; I201-P277 HydrophobicContact CG2-CB 4.41Å; R244-P277 WeakPolarHBondContact CD-O 3.44Å; R244-P277 PolarHBondContact NE-O 3.03Å; R244-P277 VanDerWaalsContact NE-O 3.09Å; P277-R279 WeakPolarHBondContact CB-O 3.45Å; P277-R279 PolarHBondContact O-N 2.93Å
278	S	83.3	Confident	70.4	Confident	34 Å²	34	79.4 Å²	79.4	24%	0.238	44%	0.438	C	S	.	.	S	Bend	trans	-63.7	-29.1	178.9	61.1	0	0	0	0	112.6	D197 R244	D197-S278 PolarHBondContact OD1-OG 3Å; D197-S278 WeakPolarHBondContact OD2-CB 3.44Å; D197-S278 PolarHBondContact OD2-N 3.17Å; D197-S278 PolarHBondContact OD2-OG 3.07Å; R244-S278 WeakPolarHBondContact CB-O 3.47Å; R244-S278 PolarHBondContact N-O 2.89Å
279	R	90	Very high	72.8	Confident	22 Å²	22	75.5 Å²	75.5	8%	0.083	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	165.7	174.7	-75.2	169.2	173.5	164	-11.4	112.2	E180 D194 R196 I201 I241 S242 D243 P277	E180-R279 IonicContact OE2-NH1 2.78Å; E180-R279 PolarHBondContact OE2-NH1 2.81Å; E180-R279 IonicContact OE2-NH2 3.19Å; D194-R279 WeakPolarHBondContact OD2-CD 3.38Å; D194-R279 IonicContact OD2-NH1 3.4Å; D194-R279 PolarHBondContact OD2-NH1 2.88Å; R196-R279 VanDerWaalsContact NH2-NH1 3.16Å; R196-R279 VanDerWaalsContact NH2-NH2 3.15Å; I201-R279 HydrophobicContact CD1-CB 3.89Å; I201-R279 HydrophobicContact CG1-CB 4.39Å; I201-R279 WeakPolarHBondContact CG2-O 3.34Å; I241-R279 HydrophobicContact CG2-CB 4.14Å; I241-R279 HydrophobicContact CG2-CG 4.3Å; S242-R279 CarbonylContact O-C 3.59Å; S242-R279 VanDerWaalsContact O-CA 3.27Å; S242-R279 WeakPolarHBondContact O-CA 3.47Å; D243-R279 WeakPolarHBondContact OD1-CG 3.36Å; D243-R279 IonicContact OD1-CZ 2.7Å; D243-R279 IonicContact OD1-NE 3.49Å; D243-R279 PolarHBondContact OD1-NE 3.3Å; P277-R279 WeakPolarHBondContact CB-O 3.45Å; P277-R279 PolarHBondContact O-N 2.93Å
280	Y	91.1	Very high	75.2	Confident	53 Å²	53	75.4 Å²	75.4	21%	0.208	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	163.2	165.9	70.8	-81.3	0	0	0	109.7	I241 S242 R244 N247 E282	I241-Y280 WeakPolarHBondContact CA-O 3.46Å; S242-Y280 VanDerWaalsContact CB-CE1 3.45Å; S242-Y280 VanDerWaalsContact CB-CZ 3.48Å; S242-Y280 PolarHBondContact N-O 3.01Å; S242-Y280 VanDerWaalsContact O-CD1 3.29Å; S242-Y280 WeakPolarHBondContact O-CD1 3.34Å; S242-Y280 PolarHBondContact O-N 3.42Å; R244-Y280 HydrophobicContact CG-CD1 3.7Å; N247-Y280 PolarHBondContact ND2-OH 3.5Å; Y280-E282 HydrophobicContact CD2-CB 4.44Å; Y280-E282 HydrophobicContact CE2-CB 4.07Å
281	V	92.1	Very high	77	Confident	26 Å²	26	74.3 Å²	74.3	16%	0.158	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.9	175.7	-176.2	0	0	0	0	108.2	V192 I201 T202 I204 F228 C239 Q240 I241	V192-V281 HydrophobicContact CB-CG2 4.06Å; V192-V281 HydrophobicContact CG1-CG2 3.9Å; V192-V281 HydrophobicContact CG2-CG2 4Å; I201-V281 HydrophobicContact CG2-CG2 3.9Å; T202-V281 HydrophobicContact CG2-CB 3.72Å; T202-V281 HydrophobicContact CG2-CG1 4.42Å; T202-V281 HydrophobicContact CG2-CG2 3.67Å; I204-V281 HydrophobicContact CD1-CG1 4.33Å; F228-V281 HydrophobicContact CE1-CG1 4.09Å; F228-V281 HydrophobicContact CZ-CG1 4.03Å; C239-V281 HydrophobicContact CB-CG1 3.93Å; Q240-V281 CarbonylContact O-C 3.47Å; Q240-V281 WeakPolarHBondContact O-CA 3.46Å; I241-V281 HydrophobicContact CG1-CG2 4.23Å
282	E	91.5	Very high	79.2	Confident	94 Å²	94	67.2 Å²	67.2	44%	0.439	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131.9	176.4	-177.2	168	-168	0	0	109	C239 Q240 Y280 V284	C239-E282 CarbonylContact C-O 3.54Å; C239-E282 VanDerWaalsContact CA-O 3.31Å; C239-E282 WeakPolarHBondContact CA-O 3.42Å; Q240-E282 PolarHBondContact N-O 3.26Å; Q240-E282 PolarHBondContact O-N 3.32Å; Y280-E282 HydrophobicContact CD2-CB 4.44Å; Y280-E282 HydrophobicContact CE2-CB 4.07Å; E282-V284 PolarHBondContact O-N 3.4Å
283	I	89.5	Confident	81.3	Confident	73 Å²	73	64.3 Å²	64.3	37%	0.374	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	98.6	168.9	-60.9	167.5	0	0	0	105.8	I204 R237 I238	I204-I283 HydrophobicContact CG2-CD1 4.38Å; R237-I283 HydrophobicContact CB-CG2 4.17Å; R237-I283 HydrophobicContact CG-CG2 4.32Å; I238-I283 CarbonylContact O-C 3.31Å; I238-I283 WeakPolarHBondContact O-CA 3.24Å
284	V	88.2	Confident	83.3	Confident	69 Å²	69	56 Å²	56	42%	0.418	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	-38.6	-176.7	179.7	0	0	0	0	110.7	I238 Q240 E282 L329	I238-V284 PolarHBondContact O-N 2.69Å; Q240-V284 HydrophobicContact CB-CG2 3.37Å; Q240-V284 HydrophobicContact CG-CG2 4.43Å; E282-V284 PolarHBondContact O-N 3.4Å; V284-L329 HydrophobicContact CG1-CD2 4.28Å
285	H	87	Confident	85	Confident	17 Å²	17	47.7 Å²	47.7	8%	0.079	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	147.7	-177.7	-164.7	75.5	0	0	0	111.1	R237 I238 I287	R237-H285 WeakPolarHBondContact CA-O 3.45Å; I238-H285 HydrophobicContact CB-CB 4.17Å; I238-H285 HydrophobicContact CD1-CB 3.98Å; I238-H285 HydrophobicContact CG1-CB 4.13Å; I238-H285 PolarHBondContact N-O 2.94Å; I238-H285 PolarHBondContact O-N 2.99Å; H285-I287 WeakPolarHBondContact NE2-CG1 3.17Å
286	Q	88.1	Confident	86.1	Confident	61 Å²	61	46.8 Å²	46.8	29%	0.285	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	124.4	174.2	176.8	174.4	-25.3	0	0	109.5	I236 R237 N288 Q342	I236-Q286 CarbonylContact O-C 2.94Å; I236-Q286 WeakPolarHBondContact O-CA 3.24Å; R237-Q286 HydrophobicContact CG-CB 4.18Å; R237-Q286 HydrophobicContact CG-CG 3.9Å; Q286-N288 PolarHBondContact NE2-ND2 3.47Å; Q286-N288 PolarHBondContact NE2-OD1 2.69Å; Q286-Q342 PolarHBondContact O-OE1 3.25Å
287	I	87.8	Confident	86.9	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.8	173.6	-59.1	169.8	0	0	0	107.4	S235 I236 H285 M289 I327 Y343	S235-I287 WeakPolarHBondContact CA-O 3.25Å; I236-I287 HydrophobicContact CB-CB 4.29Å; I236-I287 PolarHBondContact N-O 3.48Å; I236-I287 PolarHBondContact O-N 3.29Å; H285-I287 WeakPolarHBondContact NE2-CG1 3.17Å; I287-M289 HydrophobicContact CG2-CG 4.12Å; I287-I327 HydrophobicContact CD1-CD1 3.57Å; I287-I327 HydrophobicContact CD1-CG1 4.09Å; I287-Y343 HydrophobicContact CD1-CD1 4.27Å; I287-Y343 HydrophobicContact CD1-CG 4.46Å; I287-Y343 HydrophobicContact CG1-CD1 4.41Å; I287-Y343 HydrophobicContact CG2-CD1 3.5Å; I287-Y343 VanDerWaalsContact CG2-CD1 3.5Å; I287-Y343 HydrophobicContact CG2-CE1 3.61Å
288	N	87.4	Confident	87.6	Confident	80 Å²	80	42.8 Å²	42.8	43%	0.428	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	114.5	168.4	-58.5	-46.3	0	0	0	107.9	Q286	Q286-N288 PolarHBondContact NE2-ND2 3.47Å; Q286-N288 PolarHBondContact NE2-OD1 2.69Å
289	M	85.5	Confident	88.1	Confident	17 Å²	17	41.3 Å²	41.3	8%	0.084	21%	0.214	C	C	.	.			trans	-83.8	172.6	174.8	-58.5	-171.8	119.6	0	0	110.5	H234 I287 I293 I295 L307 L325 Y343	H234-M289 HydrophobicContact CB-CB 4.48Å; H234-M289 PolarHBondContact O-N 2.98Å; I287-M289 HydrophobicContact CG2-CG 4.12Å; M289-I293 HydrophobicContact CB-CB 4.39Å; M289-I293 HydrophobicContact CB-CD1 4.12Å; M289-I293 HydrophobicContact CB-CG2 4.41Å; M289-I293 HydrophobicContact SD-CG2 4.18Å; M289-I295 HydrophobicContact SD-CD1 4.13Å; M289-I295 HydrophobicContact SD-CG1 4.44Å; M289-L307 HydrophobicContact CE-CD2 3.64Å; M289-L307 HydrophobicContact SD-CD2 3.43Å; M289-L307 WeakPolarHBondContact SD-CD2 3.4Å; M289-L325 HydrophobicContact CE-CD1 3.81Å; M289-Y343 HydrophobicContact CE-CE1 4.3Å; M289-Y343 HydrophobicContact CE-CE2 4.21Å; M289-Y343 WeakPolarHBondContact CE-OH 3.44Å
290	D	83.9	Confident	88.2	Confident	118 Å²	118	44.1 Å²	44.1	63%	0.631	22%	0.224	S	C	*	.			trans	-55.6	143.1	176.4	-72.9	-33.3	0	0	0	111.8	S292 I293	D290-S292 PolarHBondContact O-N 3.37Å; D290-I293 HydrophobicContact CB-CD1 4.24Å; D290-I293 HydrophobicContact CB-CG1 4.49Å; D290-I293 WeakPolarHBondContact O-CB 3.44Å; D290-I293 PolarHBondContact O-N 2.98Å
291	D	78.5	Confident	88.1	Confident	92 Å²	92	41.9 Å²	41.9	49%	0.492	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-16	179.6	-74.4	-36.8	0	0	0	113.6	H234 I293	H234-D291 IonicContact CE1-OD1 3.33Å; H234-D291 PolarHBondContact CE1-OD1 3.44Å; H234-D291 IonicContact CG-OD1 3.15Å; H234-D291 IonicContact ND1-OD1 3.7Å; H234-D291 PolarHBondContact ND1-OD1 3.46Å; H234-D291 IonicContact NE2-OD1 3.45Å; D291-I293 VanDerWaalsContact C-N 3.3Å
292	S	81.8	Confident	87.9	Confident	35 Å²	35	44.6 Å²	44.6	25%	0.245	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-13.7	174.6	64.6	0	0	0	0	113.4	D290 V311 I312	D290-S292 PolarHBondContact O-N 3.37Å; S292-V311 CarbonylContact O-C 3.6Å; S292-V311 WeakPolarHBondContact O-CA 3.37Å; S292-I312 VanDerWaalsContact O-CG1 3.3Å; S292-I312 WeakPolarHBondContact O-CG1 3.28Å; S292-I312 PolarHBondContact O-N 3.22Å
293	I	85.3	Confident	87.7	Confident	22 Å²	22	44.8 Å²	44.8	11%	0.113	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	129.7	-178.1	-67.2	169.2	0	0	0	109.6	H234 M289 D290 D291 I295 F309 V311	H234-I293 WeakPolarHBondContact CB-O 3.24Å; M289-I293 HydrophobicContact CB-CB 4.39Å; M289-I293 HydrophobicContact CB-CD1 4.12Å; M289-I293 HydrophobicContact CB-CG2 4.41Å; M289-I293 HydrophobicContact SD-CG2 4.18Å; D290-I293 HydrophobicContact CB-CD1 4.24Å; D290-I293 HydrophobicContact CB-CG1 4.49Å; D290-I293 WeakPolarHBondContact O-CB 3.44Å; D290-I293 PolarHBondContact O-N 2.98Å; D291-I293 VanDerWaalsContact C-N 3.3Å; I293-I295 HydrophobicContact CG2-CG1 4.32Å; I293-F309 HydrophobicContact CG1-CD2 4.35Å; I293-F309 HydrophobicContact CG1-CE2 4.47Å; I293-F309 HydrophobicContact CG2-CB 3.92Å; I293-F309 HydrophobicContact CG2-CD2 3.6Å; I293-F309 HydrophobicContact CG2-CE2 4.39Å; I293-F309 HydrophobicContact CG2-CG 3.97Å; I293-V311 HydrophobicContact CG1-CG2 4.38Å
294	I	85.3	Confident	87.7	Confident	27 Å²	27	42 Å²	42	14%	0.138	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	118.5	170.4	-57.6	175.3	0	0	0	108.9	F309 N310 I312	I294-F309 CarbonylContact O-C 3.58Å; I294-F309 WeakPolarHBondContact O-CA 3.35Å; I294-F309 VanDerWaalsContact O-CB 3.23Å; I294-F309 WeakPolarHBondContact O-CB 3.49Å; I294-N310 WeakPolarHBondContact CB-OD1 3.47Å; I294-N310 PolarHBondContact N-O 2.86Å; I294-N310 PolarHBondContact O-N 3.37Å; I294-N310 PolarHBondContact O-OD1 2.91Å; I294-I312 HydrophobicContact CD1-CD1 3.61Å; I294-I312 HydrophobicContact CD1-CG1 3.58Å; I294-I312 HydrophobicContact CG1-CD1 3.71Å; I294-I312 HydrophobicContact CG1-CG1 3.83Å
295	I	88.8	Confident	87.9	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	123.5	177.3	-56	169.3	0	0	0	109.1	G233 I236 M289 I293 V298 L307	G233-I295 VanDerWaalsContact O-CB 3.25Å; G233-I295 WeakPolarHBondContact O-CB 3.29Å; G233-I295 WeakPolarHBondContact O-CG1 3.45Å; G233-I295 PolarHBondContact O-N 3.43Å; I236-I295 HydrophobicContact CD1-CD1 4.01Å; I236-I295 HydrophobicContact CG1-CD1 3.52Å; M289-I295 HydrophobicContact SD-CD1 4.13Å; M289-I295 HydrophobicContact SD-CG1 4.44Å; I293-I295 HydrophobicContact CG2-CG1 4.32Å; I295-V298 HydrophobicContact CG2-CG1 4.07Å; I295-L307 HydrophobicContact CB-CD1 4.2Å; I295-L307 HydrophobicContact CD1-CD1 3.98Å; I295-L307 HydrophobicContact CG1-CD1 3.88Å; I295-L307 HydrophobicContact CG1-CD2 4.41Å; I295-L307 HydrophobicContact CG2-CD1 3.35Å; I295-L307 HydrophobicContact CG2-CG 4.36Å
296	H	88.6	Confident	88.2	Confident	45 Å²	45	38.3 Å²	38.3	21%	0.208	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-41.2	175.7	-70.6	-67.6	0	0	0	112.2	L308 N310 Y320	H296-L308 HydrophobicContact CB-CG 4.4Å; H296-L308 PolarHBondContact N-O 2.99Å; H296-N310 PolarHBondContact NE2-OD1 3.33Å; H296-Y320 AromaticContact CD2-CD1 3.91Å; H296-Y320 AromaticContact CD2-CE1 3.91Å; H296-Y320 AromaticContact NE2-CD1 3.91Å; H296-Y320 AromaticContact NE2-CE1 3.5Å; H296-Y320 WeakPolarHBondContact NE2-CE1 3.4Å
297	S	91.3	Very high	88.5	Confident	6 Å²	6	35.4 Å²	35.4	4%	0.042	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	158.3	179.3	-161.9	0	0	0	0	112.3	S219 L308	S219-S297 PolarHBondContact OG-OG 3.45Å; S297-L308 PolarHBondContact N-O 2.79Å; S297-L308 PolarHBondContact O-N 2.72Å
298	V	93.8	Very high	88.7	Confident	3 Å²	3	35.3 Å²	35.3	2%	0.018	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	147.6	175.1	-72	0	0	0	0	110.2	C221 L229 I236 I295 I305 L306 L307	C221-V298 HydrophobicContact CB-CG2 4.48Å; C221-V298 WeakPolarHBondContact CB-O 3.14Å; L229-V298 HydrophobicContact CB-CG2 3.91Å; L229-V298 HydrophobicContact CD1-CB 4.37Å; L229-V298 HydrophobicContact CD1-CG2 4.44Å; I236-V298 HydrophobicContact CD1-CG1 4.3Å; I236-V298 HydrophobicContact CG1-CG1 4.34Å; I295-V298 HydrophobicContact CG2-CG1 4.07Å; V298-I305 HydrophobicContact CG1-CG2 4.5Å; V298-L306 WeakPolarHBondContact CA-O 3.31Å; V298-L307 HydrophobicContact CG1-CD1 3.59Å
299	S	93.8	Very high	88.8	Confident	3 Å²	3	31.9 Å²	31.9	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	158.1	169.2	-177.7	0	0	0	0	111	L306 L364 S366	S299-L306 PolarHBondContact N-O 2.68Å; S299-L306 PolarHBondContact O-N 3.42Å; S299-L364 VanDerWaalsContact CB-CD2 3.41Å; S299-S366 VanDerWaalsContact CB-OG 3.32Å; S299-S366 WeakPolarHBondContact CB-OG 3.36Å; S299-S366 PolarHBondContact OG-OG 3.34Å
300	R	91.9	Very high	88.8	Confident	81 Å²	81	32.5 Å²	32.5	31%	0.306	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	137	160.3	-170.9	176.3	72.2	83.2	1	109.3	C223 Q302 H373	C223-R300 WeakPolarHBondContact O-CD 3.42Å; C223-R300 PolarHBondContact O-NE 3.11Å; C223-R300 VanDerWaalsContact O-NE 3.12Å; R300-Q302 WeakPolarHBondContact CG-O 3.32Å; R300-Q302 PolarHBondContact NH1-O 3.04Å; R300-H373 PolarHBondContact O-CE1 3.45Å
301	H	90.6	Very high	88.8	Confident	5 Å²	5	29 Å²	29	2%	0.023	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	111.2	167.2	178.8	79.6	0	0	0	107.6	L27 A303 C304 L306 H373	L27-H301 VanDerWaalsContact CD2-CE1 3.41Å; L27-H301 WeakPolarHBondContact CD2-CE1 3.4Å; H301-A303 PolarHBondContact O-N 3.34Å; H301-C304 PolarHBondContact N-O 2.96Å; H301-C304 CarbonylContact O-C 3.54Å; H301-C304 WeakPolarHBondContact O-CA 3.4Å; H301-C304 WeakPolarHBondContact O-CB 3.28Å; H301-C304 PolarHBondContact O-N 3.43Å; H301-C304 VanDerWaalsContact O-O 3.11Å; H301-L306 HydrophobicContact CB-CB 3.93Å; H301-H373 AromaticContact CG-NE2 3.76Å; H301-H373 AromaticContact ND1-CD2 3.64Å; H301-H373 AromaticContact ND1-NE2 3.03Å; H301-H373 PolarHBondContact ND1-NE2 3.44Å
302	Q	87.7	Confident	88.6	Confident	83 Å²	83	28.6 Å²	28.6	39%	0.388	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	-124.1	-168	-58.5	173.8	-7.1	0	0	111.6	R300 N371 E386	R300-Q302 WeakPolarHBondContact CG-O 3.32Å; R300-Q302 PolarHBondContact NH1-O 3.04Å; Q302-N371 WeakPolarHBondContact CG-ND2 3.42Å; Q302-N371 PolarHBondContact N-OD1 3.4Å; Q302-E386 PolarHBondContact NE2-OE1 2.92Å
303	A	86.6	Confident	87.8	Confident	98 Å²	98	32.6 Å²	32.6	81%	0.81	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-2.6	174.3	0	0	0	0	0	113.5	H301	H301-A303 PolarHBondContact O-N 3.34Å
304	C	90.4	Very high	86.5	Confident	14 Å²	14	35.4 Å²	35.4	10%	0.095	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	172.1	-173.5	-60.9	0	0	0	0	112.4	H301 V324 L325 I346	H301-C304 PolarHBondContact N-O 2.96Å; H301-C304 CarbonylContact O-C 3.54Å; H301-C304 WeakPolarHBondContact O-CA 3.4Å; H301-C304 WeakPolarHBondContact O-CB 3.28Å; H301-C304 PolarHBondContact O-N 3.43Å; H301-C304 VanDerWaalsContact O-O 3.11Å; C304-V324 HydrophobicContact CB-CG1 3.52Å; C304-L325 WeakPolarHBondContact CA-O 3.48Å; C304-L325 WeakPolarHBondContact CB-O 3.38Å; C304-I346 HydrophobicContact CB-CD1 4.34Å; C304-I346 WeakPolarHBondContact SG-CD1 3.36Å
305	I	91.8	Very high	84.8	Confident	9 Å²	9	42.5 Å²	42.5	5%	0.046	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.2	172.1	-57.5	-168.7	0	0	0	109.8	L229 I236 I238 V298 V324 L325 I327	L229-I305 HydrophobicContact CD1-CD1 4.1Å; L229-I305 HydrophobicContact CD1-CG1 4.22Å; L229-I305 HydrophobicContact CD1-CG2 4.1Å; L229-I305 HydrophobicContact CD2-CD1 3.76Å; I236-I305 HydrophobicContact CG2-CD1 4.34Å; I238-I305 HydrophobicContact CD1-CD1 3.88Å; I238-I305 HydrophobicContact CG1-CD1 4.2Å; V298-I305 HydrophobicContact CG1-CG2 4.5Å; I305-V324 CarbonylContact O-C 3.59Å; I305-V324 WeakPolarHBondContact O-CA 3.49Å; I305-L325 PolarHBondContact N-O 3.15Å; I305-L325 PolarHBondContact O-N 2.97Å; I305-I327 HydrophobicContact CD1-CD1 3.37Å; I305-I327 HydrophobicContact CG1-CD1 3.89Å
306	L	93.8	Very high	82.9	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	127.5	168.8	-176.5	68	0	0	0	109.9	L27 V298 S299 H301 I322 V324 L364 H373	L27-L306 HydrophobicContact CD1-CD1 3.71Å; V298-L306 WeakPolarHBondContact CA-O 3.31Å; S299-L306 PolarHBondContact N-O 2.68Å; S299-L306 PolarHBondContact O-N 3.42Å; H301-L306 HydrophobicContact CB-CB 3.93Å; L306-I322 HydrophobicContact CD1-CG2 3.52Å; L306-V324 HydrophobicContact CD1-CG2 3.79Å; L306-L364 HydrophobicContact CD2-CD1 3.73Å; L306-L364 HydrophobicContact CG-CD1 4.22Å; L306-H373 HydrophobicContact CD2-CB 3.89Å; L306-H373 WeakPolarHBondContact CD2-CD2 3.44Å; L306-H373 VanDerWaalsContact CD2-CG 3.4Å
307	L	93.7	Very high	81.3	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	135.3	-178.1	-169.2	71.5	0	0	0	110.6	I236 M289 I295 V298 F309 I322 S323	I236-L307 HydrophobicContact CD1-CD1 3.65Å; I236-L307 HydrophobicContact CG1-CD1 4.4Å; M289-L307 HydrophobicContact CE-CD2 3.64Å; M289-L307 HydrophobicContact SD-CD2 3.43Å; M289-L307 WeakPolarHBondContact SD-CD2 3.4Å; I295-L307 HydrophobicContact CB-CD1 4.2Å; I295-L307 HydrophobicContact CD1-CD1 3.98Å; I295-L307 HydrophobicContact CG1-CD1 3.88Å; I295-L307 HydrophobicContact CG1-CD2 4.41Å; I295-L307 HydrophobicContact CG2-CD1 3.35Å; I295-L307 HydrophobicContact CG2-CG 4.36Å; V298-L307 HydrophobicContact CG1-CD1 3.59Å; L307-F309 HydrophobicContact CB-CD1 4.38Å; L307-F309 HydrophobicContact CD2-CB 4.25Å; L307-F309 HydrophobicContact CD2-CD1 3.46Å; L307-F309 VanDerWaalsContact CD2-CD1 3.46Å; L307-F309 HydrophobicContact CD2-CE1 4.01Å; L307-F309 HydrophobicContact CD2-CG 4.02Å; L307-F309 HydrophobicContact CG-CB 4.35Å; L307-F309 HydrophobicContact CG-CD1 3.78Å; L307-F309 HydrophobicContact CG-CG 4.44Å; L307-I322 VanDerWaalsContact O-CA 3.26Å; L307-I322 WeakPolarHBondContact O-CA 3.46Å; L307-S323 PolarHBondContact N-O 3.4Å; L307-S323 PolarHBondContact O-N 3.01Å; L307-S323 VanDerWaalsContact O-N 3.1Å
308	L	92.3	Very high	79.7	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	120.4	165.2	178.1	65.8	0	0	0	108.9	H296 S297 I322 L351 V362 L364 I375	H296-L308 HydrophobicContact CB-CG 4.4Å; H296-L308 PolarHBondContact N-O 2.99Å; S297-L308 PolarHBondContact N-O 2.79Å; S297-L308 PolarHBondContact O-N 2.72Å; L308-I322 HydrophobicContact CD1-CD1 4.27Å; L308-I322 HydrophobicContact CD1-CG1 3.75Å; L308-L351 HydrophobicContact CD1-CD1 3.99Å; L308-V362 HydrophobicContact CD2-CG1 3.55Å; L308-V362 HydrophobicContact CG-CG1 4.28Å; L308-L364 HydrophobicContact CB-CD1 4.35Å; L308-L364 HydrophobicContact CD2-CB 4.23Å; L308-I375 HydrophobicContact CD1-CG2 4.17Å; L308-I375 HydrophobicContact CD2-CG2 3.83Å
309	F	89.3	Confident	78.7	Confident	8 Å²	8	56.7 Å²	56.7	4%	0.035	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	174.5	-174.1	68.5	-80	0	0	0	112.3	I293 I294 L307 V311 Y320 E321 S323 H348	I293-F309 HydrophobicContact CG1-CD2 4.35Å; I293-F309 HydrophobicContact CG1-CE2 4.47Å; I293-F309 HydrophobicContact CG2-CB 3.92Å; I293-F309 HydrophobicContact CG2-CD2 3.6Å; I293-F309 HydrophobicContact CG2-CE2 4.39Å; I293-F309 HydrophobicContact CG2-CG 3.97Å; I294-F309 CarbonylContact O-C 3.58Å; I294-F309 WeakPolarHBondContact O-CA 3.35Å; I294-F309 VanDerWaalsContact O-CB 3.23Å; I294-F309 WeakPolarHBondContact O-CB 3.49Å; L307-F309 HydrophobicContact CB-CD1 4.38Å; L307-F309 HydrophobicContact CD2-CB 4.25Å; L307-F309 HydrophobicContact CD2-CD1 3.46Å; L307-F309 VanDerWaalsContact CD2-CD1 3.46Å; L307-F309 HydrophobicContact CD2-CE1 4.01Å; L307-F309 HydrophobicContact CD2-CG 4.02Å; L307-F309 HydrophobicContact CG-CB 4.35Å; L307-F309 HydrophobicContact CG-CD1 3.78Å; L307-F309 HydrophobicContact CG-CG 4.44Å; F309-V311 HydrophobicContact CD2-CG2 4.44Å; F309-V311 HydrophobicContact CE2-CG2 4.13Å; F309-Y320 WeakPolarHBondContact O-CA 3.39Å; F309-E321 HydrophobicContact CD1-CB 4.35Å; F309-E321 WeakPolarHBondContact CD1-O 3.49Å; F309-E321 HydrophobicContact CD2-CB 4.31Å; F309-E321 HydrophobicContact CE1-CB 3.82Å; F309-E321 HydrophobicContact CE2-CB 3.8Å; F309-E321 WeakPolarHBondContact CE2-OE2 3.44Å; F309-E321 HydrophobicContact CZ-CB 3.54Å; F309-E321 PolarHBondContact N-O 2.97Å; F309-E321 PolarHBondContact O-N 3.27Å; F309-S323 VanDerWaalsContact CE1-OG 3.23Å; F309-S323 WeakPolarHBondContact CE1-OG 3.48Å; F309-H348 AromaticContact CZ-CE1 4Å
310	N	86	Confident	78.4	Confident	30 Å²	30	57.1 Å²	57.1	16%	0.16	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	157.1	167.8	75.4	-54.6	0	0	0	110.9	I294 H296 Y320	I294-N310 WeakPolarHBondContact CB-OD1 3.47Å; I294-N310 PolarHBondContact N-O 2.86Å; I294-N310 PolarHBondContact O-N 3.37Å; I294-N310 PolarHBondContact O-OD1 2.91Å; H296-N310 PolarHBondContact NE2-OD1 3.33Å; N310-Y320 HydrophobicContact CB-CD1 4.05Å; N310-Y320 HydrophobicContact CB-CE1 4.38Å
311	V	83.4	Confident	78.3	Confident	43 Å²	43	54 Å²	54	26%	0.261	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.2	177.8	-174.1	0	0	0	0	109.8	S292 I293 F309 N313	S292-V311 CarbonylContact O-C 3.6Å; S292-V311 WeakPolarHBondContact O-CA 3.37Å; I293-V311 HydrophobicContact CG1-CG2 4.38Å; F309-V311 HydrophobicContact CD2-CG2 4.44Å; F309-V311 HydrophobicContact CE2-CG2 4.13Å; V311-N313 PolarHBondContact O-N 3.42Å
312	I	74.8	Confident	78.3	Confident	85 Å²	85	53.7 Å²	53.7	44%	0.436	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-22.4	-171.2	-63.6	167	0	0	0	113.1	S292 I294 D314	S292-I312 VanDerWaalsContact O-CG1 3.3Å; S292-I312 WeakPolarHBondContact O-CG1 3.28Å; S292-I312 PolarHBondContact O-N 3.22Å; I294-I312 HydrophobicContact CD1-CD1 3.61Å; I294-I312 HydrophobicContact CD1-CG1 3.58Å; I294-I312 HydrophobicContact CG1-CD1 3.71Å; I294-I312 HydrophobicContact CG1-CG1 3.83Å; I312-D314 VanDerWaalsContact C-N 3.34Å; I312-D314 PolarHBondContact O-N 3.42Å
313	N	64	Low	78.6	Confident	118 Å²	118	49.8 Å²	49.8	63%	0.631	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-9.8	-170.5	-71.1	-16.2	0	0	0	115.3	V311 L315	V311-N313 PolarHBondContact O-N 3.42Å; N313-L315 PolarHBondContact O-N 3.35Å; N313-L315 VanDerWaalsContact O-N 3.16Å
314	D	58.7	Low	78.8	Confident	82 Å²	82	45.2 Å²	45.2	44%	0.439	25%	0.245	S	C	.	.			trans	-87.4	79.2	179.1	-90	-6.8	0	0	0	111.9	I312 S316 N319	I312-D314 VanDerWaalsContact C-N 3.34Å; I312-D314 PolarHBondContact O-N 3.42Å; D314-S316 PolarHBondContact O-N 3.47Å; D314-N319 PolarHBondContact OD2-ND2 2.94Å; D314-N319 VanDerWaalsContact OD2-ND2 3.1Å
315	L	48.6	Very low	78.9	Confident	175 Å²	175	44.6 Å²	44.6	92%	0.916	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	8.6	-178.7	-87.1	126.2	0	0	0	116.4	N313	N313-L315 PolarHBondContact O-N 3.35Å; N313-L315 VanDerWaalsContact O-N 3.16Å
316	S	50.4	Low	78.8	Confident	110 Å²	110	47.1 Å²	47.1	77%	0.769	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.3	-14.4	-174.7	64.3	0	0	0	0	117.5	D314	D314-S316 PolarHBondContact O-N 3.47Å
317	K	54	Low	78.3	Confident	154 Å²	154	48.2 Å²	48.2	67%	0.67	26%	0.26	S	S	*	.			trans	-151.4	133.2	170	-70	-175.6	-178.6	172.4	0	108.9	N319	K317-N319 PolarHBondContact O-N 3.33Å
318	S	57.9	Low	77.1	Confident	41 Å²	41	52.7 Å²	52.7	29%	0.287	28%	0.284	S	S	.	.			trans	-70.2	82.4	172	-26.9	0	0	0	0	108.4	Y320 S355	S318-Y320 WeakPolarHBondContact O-CD2 3.42Å; S318-Y320 PolarHBondContact O-N 3.2Å; S318-S355 WeakPolarHBondContact CB-OG 3.5Å; S318-S355 VanDerWaalsContact OG-CB 3.31Å; S318-S355 WeakPolarHBondContact OG-CB 3.29Å; S318-S355 PolarHBondContact OG-OG 2.96Å
319	N	73.4	Confident	75.7	Confident	52 Å²	52	57.7 Å²	57.7	28%	0.278	31%	0.31	S	S	.	.			trans	-78.8	112.6	173	-63.6	-25.5	0	0	0	106.7	D314 K317	D314-N319 PolarHBondContact OD2-ND2 2.94Å; D314-N319 VanDerWaalsContact OD2-ND2 3.1Å; K317-N319 PolarHBondContact O-N 3.33Å
320	Y	86.2	Confident	74.1	Confident	12 Å²	12	63.8 Å²	63.8	5%	0.047	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	144.7	170.6	-61.9	-78.9	0	0	0	107.7	H296 F309 N310 S318 L351 M353 V362	H296-Y320 AromaticContact CD2-CD1 3.91Å; H296-Y320 AromaticContact CD2-CE1 3.91Å; H296-Y320 AromaticContact NE2-CD1 3.91Å; H296-Y320 AromaticContact NE2-CE1 3.5Å; H296-Y320 WeakPolarHBondContact NE2-CE1 3.4Å; F309-Y320 WeakPolarHBondContact O-CA 3.39Å; N310-Y320 HydrophobicContact CB-CD1 4.05Å; N310-Y320 HydrophobicContact CB-CE1 4.38Å; S318-Y320 WeakPolarHBondContact O-CD2 3.42Å; S318-Y320 PolarHBondContact O-N 3.2Å; Y320-L351 WeakPolarHBondContact O-CA 3.43Å; Y320-L351 WeakPolarHBondContact O-CB 3.47Å; Y320-L351 PolarHBondContact O-N 3.04Å; Y320-M353 HydrophobicContact CD2-CB 4.06Å; Y320-M353 HydrophobicContact CD2-CG 4.19Å; Y320-M353 HydrophobicContact CD2-SD 3.82Å; Y320-M353 HydrophobicContact CE2-CB 4.48Å; Y320-M353 HydrophobicContact CE2-SD 4.47Å; Y320-M353 HydrophobicContact CG-SD 4.29Å; Y320-V362 HydrophobicContact CD1-CB 4.49Å; Y320-V362 HydrophobicContact CD1-CG1 4.1Å; Y320-V362 HydrophobicContact CD1-CG2 4.38Å; Y320-V362 HydrophobicContact CD2-CG2 4.48Å; Y320-V362 HydrophobicContact CE1-CB 3.99Å; Y320-V362 HydrophobicContact CE1-CG1 4.1Å; Y320-V362 HydrophobicContact CE1-CG2 3.69Å; Y320-V362 HydrophobicContact CE2-CG2 3.81Å; Y320-V362 WeakPolarHBondContact OH-CG2 3.29Å
321	E	90	Very high	72.4	Confident	14 Å²	14	65.8 Å²	65.8	7%	0.065	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	145.9	-177.2	-60.3	-174.1	164.7	0	0	108.6	F309 H348 E349 K350	F309-E321 HydrophobicContact CD1-CB 4.35Å; F309-E321 WeakPolarHBondContact CD1-O 3.49Å; F309-E321 HydrophobicContact CD2-CB 4.31Å; F309-E321 HydrophobicContact CE1-CB 3.82Å; F309-E321 HydrophobicContact CE2-CB 3.8Å; F309-E321 WeakPolarHBondContact CE2-OE2 3.44Å; F309-E321 HydrophobicContact CZ-CB 3.54Å; F309-E321 PolarHBondContact N-O 2.97Å; F309-E321 PolarHBondContact O-N 3.27Å; E321-H348 IonicContact OE2-CE1 3.98Å; E321-H348 PolarHBondContact OE2-CE1 2.75Å; E321-H348 VanDerWaalsContact OE2-CE1 3.24Å; E321-H348 IonicContact OE2-NE2 3.06Å; E321-E349 WeakPolarHBondContact CA-O 3.46Å; E321-K350 HydrophobicContact CG-CG 4.11Å; E321-K350 WeakPolarHBondContact OE1-CD 3.24Å; E321-K350 WeakPolarHBondContact OE1-CE 3.2Å; E321-K350 IonicContact OE1-NZ 3.56Å; E321-K350 PolarHBondContact OE1-NZ 3.39Å
322	I	92.2	Very high	70.6	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133.6	174.1	-78.1	-177.8	0	0	0	109	L27 F29 L306 L307 L308 H348 E349 L351 I375	L27-I322 HydrophobicContact CD1-CG2 4.07Å; F29-I322 HydrophobicContact CE1-CD1 3.83Å; F29-I322 HydrophobicContact CZ-CD1 4.09Å; L306-I322 HydrophobicContact CD1-CG2 3.52Å; L307-I322 VanDerWaalsContact O-CA 3.26Å; L307-I322 WeakPolarHBondContact O-CA 3.46Å; L308-I322 HydrophobicContact CD1-CD1 4.27Å; L308-I322 HydrophobicContact CD1-CG1 3.75Å; I322-H348 CarbonylContact O-C 3.52Å; I322-H348 WeakPolarHBondContact O-CA 3.28Å; I322-E349 PolarHBondContact N-O 3.33Å; I322-E349 PolarHBondContact O-N 2.76Å; I322-L351 HydrophobicContact CD1-CD1 3.5Å; I322-L351 VanDerWaalsContact CD1-CD1 3.5Å; I322-L351 HydrophobicContact CD1-CD2 4.49Å; I322-L351 HydrophobicContact CD1-CG 4.24Å; I322-L351 HydrophobicContact CG1-CD1 3.71Å; I322-L351 HydrophobicContact CG1-CG 4.34Å; I322-I375 HydrophobicContact CD1-CD1 3.25Å; I322-I375 HydrophobicContact CD1-CG1 3.82Å
323	S	92.4	Very high	69.3	Low	0 Å²	0	69.6 Å²	69.6	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	144.1	172.2	-62.6	0	0	0	0	111.6	L307 F309 E345 Y347 H348	L307-S323 PolarHBondContact N-O 3.4Å; L307-S323 PolarHBondContact O-N 3.01Å; L307-S323 VanDerWaalsContact O-N 3.1Å; F309-S323 VanDerWaalsContact CE1-OG 3.23Å; F309-S323 WeakPolarHBondContact CE1-OG 3.48Å; S323-E345 VanDerWaalsContact CB-OE1 3.25Å; S323-E345 WeakPolarHBondContact CB-OE1 3.28Å; S323-E345 PolarHBondContact OG-OE1 2.82Å; S323-Y347 CarbonylContact C-O 3.54Å; S323-Y347 WeakPolarHBondContact CA-O 3.42Å; S323-H348 PolarHBondContact OG-ND1 2.81Å
324	V	92.3	Very high	68	Low	3 Å²	3	69.8 Å²	69.8	2%	0.018	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	118.4	168.4	-176.4	0	0	0	0	107.9	L27 C304 I305 L306 I346 Y347	L27-V324 HydrophobicContact CD1-CG2 4.17Å; C304-V324 HydrophobicContact CB-CG1 3.52Å; I305-V324 CarbonylContact O-C 3.59Å; I305-V324 WeakPolarHBondContact O-CA 3.49Å; L306-V324 HydrophobicContact CD1-CG2 3.79Å; V324-I346 HydrophobicContact CG1-CD1 4.15Å; V324-I346 PolarHBondContact O-N 3.21Å; V324-Y347 HydrophobicContact CG2-CD1 4.16Å; V324-Y347 PolarHBondContact N-O 3Å; V324-Y347 PolarHBondContact O-N 2.88Å
325	L	91.5	Very high	66.8	Low	0 Å²	0	72.6 Å²	72.6	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124.6	-176.3	-49.1	-177.7	0	0	0	109.9	I236 M289 C304 I305 Y343 E345	I236-L325 HydrophobicContact CD1-CD1 4.31Å; M289-L325 HydrophobicContact CE-CD1 3.81Å; C304-L325 WeakPolarHBondContact CA-O 3.48Å; C304-L325 WeakPolarHBondContact CB-O 3.38Å; I305-L325 PolarHBondContact N-O 3.15Å; I305-L325 PolarHBondContact O-N 2.97Å; L325-Y343 HydrophobicContact CB-CD2 4.32Å; L325-Y343 HydrophobicContact CD1-CD2 4.15Å; L325-Y343 HydrophobicContact CD1-CE2 4.35Å; L325-Y343 HydrophobicContact CD1-CG 4.42Å; L325-Y343 HydrophobicContact CD2-CD2 3.67Å; L325-Y343 HydrophobicContact CD2-CE2 3.72Å; L325-Y343 HydrophobicContact CG-CD2 4.25Å; L325-E345 HydrophobicContact CD2-CB 4.08Å; L325-E345 HydrophobicContact CD2-CG 4.08Å
326	D	89.6	Confident	66.2	Low	63 Å²	63	72.3 Å²	72.3	34%	0.337	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	140.8	165	-160	-1.4	0	0	0	110	Y343 K344 I346	D326-Y343 WeakPolarHBondContact O-CA 3.34Å; D326-K344 HydrophobicContact CB-CB 4.28Å; D326-K344 PolarHBondContact N-O 2.98Å; D326-K344 PolarHBondContact O-N 2.82Å; D326-I346 HydrophobicContact CB-CD1 3.56Å; D326-I346 HydrophobicContact CB-CG1 3.77Å
327	I	83.1	Confident	65.5	Low	22 Å²	22	73.9 Å²	73.9	11%	0.113	40%	0.399	C	S	.	.			trans	-124.2	105.6	-177.8	-57.3	176.8	0	0	0	107.6	I238 I287 I305 L329	I238-I327 HydrophobicContact CD1-CD1 3.51Å; I287-I327 HydrophobicContact CD1-CD1 3.57Å; I287-I327 HydrophobicContact CD1-CG1 4.09Å; I305-I327 HydrophobicContact CD1-CD1 3.37Å; I305-I327 HydrophobicContact CG1-CD1 3.89Å; I327-L329 HydrophobicContact CG2-CD2 4.49Å; I327-L329 HydrophobicContact CG2-CG 4.46Å; I327-L329 PolarHBondContact O-N 3.33Å
328	D	69.6	Low	64.7	Low	94 Å²	94	72 Å²	72	50%	0.503	41%	0.405	S	S	.	.			trans	-74.2	91.6	175.5	-173.1	-10.3	0	0	0	109.9	D330 S331	D328-D330 PolarHBondContact O-N 2.94Å; D328-D330 PolarHBondContact OD1-N 2.93Å; D328-S331 PolarHBondContact O-OG 2.9Å; D328-S331 PolarHBondContact OD1-N 3.34Å
329	L	63.5	Low	63.9	Low	106 Å²	106	75 Å²	75	56%	0.555	43%	0.426	S	S	*	.	S	Bend	trans	-67.1	-20.3	178.1	-73	162.2	0	0	0	112.9	V284 I327	V284-L329 HydrophobicContact CG1-CD2 4.28Å; I327-L329 HydrophobicContact CG2-CD2 4.49Å; I327-L329 HydrophobicContact CG2-CG 4.46Å; I327-L329 PolarHBondContact O-N 3.33Å
330	D	55.5	Low	62.5	Low	136 Å²	136	80.5 Å²	80.5	73%	0.727	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-84.1	-27	-174.4	-71.6	-24.6	0	0	0	112.6	D328 I332 S333	D328-D330 PolarHBondContact O-N 2.94Å; D328-D330 PolarHBondContact OD1-N 2.93Å; D330-I332 PolarHBondContact O-N 3.45Å; D330-I332 VanDerWaalsContact O-N 3.08Å; D330-S333 PolarHBondContact O-N 3.2Å; D330-S333 PolarHBondContact O-OG 2.95Å
331	S	49.2	Very low	61	Low	72 Å²	72	88.3 Å²	88.3	50%	0.503	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-63.3	-12.9	-176.2	65.4	0	0	0	0	115.8	D328	D328-S331 PolarHBondContact O-OG 2.9Å; D328-S331 PolarHBondContact OD1-N 3.34Å
332	I	46.9	Very low	60	Low	108 Å²	108	92.3 Å²	92.3	55%	0.554	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-93.9	-13.3	-171.1	-58.5	171.6	0	0	0	112.8	D330 N334	D330-I332 PolarHBondContact O-N 3.45Å; D330-I332 VanDerWaalsContact O-N 3.08Å; I332-N334 PolarHBondContact O-N 3.45Å; I332-N334 VanDerWaalsContact O-N 3.12Å
333	S	47.5	Very low	59.4	Low	99 Å²	99	95.2 Å²	95.2	69%	0.692	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-66.5	-14.8	-179.6	61.8	0	0	0	0	114	D330	D330-S333 PolarHBondContact O-N 3.2Å; D330-S333 PolarHBondContact O-OG 2.95Å
334	N	34.7	Very low	59.1	Low	122 Å²	122	102.1 Å²	102.1	65%	0.652	55%	0.552	S	S	*	*	S	Bend	trans	-132.1	108.1	-178.9	-71.9	-44.3	0	0	0	112.4	I332	I332-N334 PolarHBondContact O-N 3.45Å; I332-N334 VanDerWaalsContact O-N 3.12Å
335	N	34	Very low	58.8	Low	142 Å²	142	106.2 Å²	106.2	76%	0.759	57%	0.571	S	S	*	*			trans	93.2	121.9	158	-59.7	-34.4	0	0	0	119.8	I337	N335-I337 PolarHBondContact O-N 3.29Å
336	L	36.2	Very low	58.5	Low	169 Å²	169	109 Å²	109	89%	0.885	59%	0.586	S	S	*	*			trans	-50.5	107.9	146.3	-65.8	84.1	0	0	0	109.1
337	I	36.8	Very low	58.4	Low	143 Å²	143	107.1 Å²	107.1	73%	0.733	57%	0.574	S	S	*	*			trans	-167.5	135.8	144.5	-85.2	134.6	0	0	0	107.7	N335 S339	N335-I337 PolarHBondContact O-N 3.29Å; I337-S339 PolarHBondContact O-N 3.06Å
338	S	37.3	Very low	58.7	Low	115 Å²	115	109.6 Å²	109.6	80%	0.804	59%	0.585	S	S	*	*			trans	-52.5	116.6	167.8	45.8	0	0	0	0	113.9
339	S	39.4	Very low	59.6	Low	103 Å²	103	108 Å²	108	72%	0.72	57%	0.574	S	S	*	*			trans	-158.1	124.2	155.5	53.6	0	0	0	0	112.7	I337 Q341	I337-S339 PolarHBondContact O-N 3.06Å; S339-Q341 VanDerWaalsContact C-N 3.3Å; S339-Q341 PolarHBondContact O-N 3.48Å
340	N	45.2	Very low	60.7	Low	168 Å²	168	108.9 Å²	108.9	90%	0.898	57%	0.574	S	S	*	*	S	Bend	trans	-48.3	24.3	-172.1	-70.7	-10.3	0	0	0	121.7
341	Q	53.4	Low	62	Low	176 Å²	176	103 Å²	103	82%	0.822	54%	0.542	S	S	*	.			trans	-131.9	86.6	172.8	-80.3	178.3	-26.3	0	0	111	S339 Y343	S339-Q341 VanDerWaalsContact C-N 3.3Å; S339-Q341 PolarHBondContact O-N 3.48Å; Q341-Y343 PolarHBondContact O-N 3.03Å
342	Q	69.7	Low	63.3	Low	98 Å²	98	104.9 Å²	104.9	46%	0.458	56%	0.556	S	S	.	*	S	Bend	trans	-75.4	-10.3	174.5	-66.6	-178.4	-35.4	0	0	112.9	Q286	Q286-Q342 PolarHBondContact O-OE1 3.25Å
343	Y	80.6	Confident	64.7	Low	61 Å²	61	100.4 Å²	100.4	24%	0.239	53%	0.533	C	S	.	.	S	Bend	trans	-151.1	159.8	-176.6	62.7	-90.8	0	0	0	109.9	I287 M289 L325 D326 Q341 E345	I287-Y343 HydrophobicContact CD1-CD1 4.27Å; I287-Y343 HydrophobicContact CD1-CG 4.46Å; I287-Y343 HydrophobicContact CG1-CD1 4.41Å; I287-Y343 HydrophobicContact CG2-CD1 3.5Å; I287-Y343 VanDerWaalsContact CG2-CD1 3.5Å; I287-Y343 HydrophobicContact CG2-CE1 3.61Å; M289-Y343 HydrophobicContact CE-CE1 4.3Å; M289-Y343 HydrophobicContact CE-CE2 4.21Å; M289-Y343 WeakPolarHBondContact CE-OH 3.44Å; L325-Y343 HydrophobicContact CB-CD2 4.32Å; L325-Y343 HydrophobicContact CD1-CD2 4.15Å; L325-Y343 HydrophobicContact CD1-CE2 4.35Å; L325-Y343 HydrophobicContact CD1-CG 4.42Å; L325-Y343 HydrophobicContact CD2-CD2 3.67Å; L325-Y343 HydrophobicContact CD2-CE2 3.72Å; L325-Y343 HydrophobicContact CG-CD2 4.25Å; D326-Y343 WeakPolarHBondContact O-CA 3.34Å; Q341-Y343 PolarHBondContact O-N 3.03Å; Y343-E345 HydrophobicContact CE2-CB 4.45Å
344	K	85.7	Confident	65.6	Low	144 Å²	144	103.5 Å²	103.5	63%	0.626	53%	0.534	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	119.7	170.1	177.5	-177.6	177.5	-172.6	0	108.8	D326 I346	D326-K344 HydrophobicContact CB-CB 4.28Å; D326-K344 PolarHBondContact N-O 2.98Å; D326-K344 PolarHBondContact O-N 2.82Å; K344-I346 PolarHBondContact O-N 3.09Å
345	E	85.3	Confident	66.6	Low	89 Å²	89	99.7 Å²	99.7	42%	0.416	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	109.8	171.9	-173.6	168.3	-160.9	0	0	108.8	S323 L325 Y343 H348	S323-E345 VanDerWaalsContact CB-OE1 3.25Å; S323-E345 WeakPolarHBondContact CB-OE1 3.28Å; S323-E345 PolarHBondContact OG-OE1 2.82Å; L325-E345 HydrophobicContact CD2-CB 4.08Å; L325-E345 HydrophobicContact CD2-CG 4.08Å; Y343-E345 HydrophobicContact CE2-CB 4.45Å; E345-H348 WeakPolarHBondContact OE1-CB 3.41Å; E345-H348 IonicContact OE1-CG 3.9Å; E345-H348 IonicContact OE1-ND1 2.99Å; E345-H348 PolarHBondContact OE1-ND1 3.2Å; E345-H348 VanDerWaalsContact OE1-ND1 3.14Å
346	I	85.6	Confident	67.3	Low	60 Å²	60	97.7 Å²	97.7	31%	0.308	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-37.9	179.7	-57.8	161.6	0	0	0	109.9	C304 V324 D326 K344	C304-I346 HydrophobicContact CB-CD1 4.34Å; C304-I346 WeakPolarHBondContact SG-CD1 3.36Å; V324-I346 HydrophobicContact CG1-CD1 4.15Å; V324-I346 PolarHBondContact O-N 3.21Å; D326-I346 HydrophobicContact CB-CD1 3.56Å; D326-I346 HydrophobicContact CB-CG1 3.77Å; K344-I346 PolarHBondContact O-N 3.09Å
347	Y	88	Confident	67.7	Low	22 Å²	22	94.4 Å²	94.4	9%	0.086	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	143.6	-170.9	-176.5	-109.8	0	0	0	110.7	P25 C26 L27 F29 S323 V324 E349	P25-Y347 HydrophobicContact CB-CE2 4.21Å; C26-Y347 HydrophobicContact CB-CD1 4.09Å; C26-Y347 HydrophobicContact CB-CD2 4.01Å; C26-Y347 HydrophobicContact CB-CG 3.68Å; L27-Y347 HydrophobicContact CB-CE1 4.2Å; L27-Y347 HydrophobicContact CD1-CD1 4.4Å; L27-Y347 HydrophobicContact CD1-CE1 4.28Å; L27-Y347 HydrophobicContact CG-CE1 4.45Å; F29-Y347 HydrophobicContact CE2-CE1 4.4Å; S323-Y347 CarbonylContact C-O 3.54Å; S323-Y347 WeakPolarHBondContact CA-O 3.42Å; V324-Y347 HydrophobicContact CG2-CD1 4.16Å; V324-Y347 PolarHBondContact N-O 3Å; V324-Y347 PolarHBondContact O-N 2.88Å; Y347-E349 HydrophobicContact CE1-CB 3.85Å; Y347-E349 PolarHBondContact OH-OE2 2.65Å
348	H	88.9	Confident	68.2	Low	75 Å²	75	91.8 Å²	91.8	35%	0.347	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	126.7	178.6	-179.8	80.5	0	0	0	109.6	F309 E321 I322 S323 E345	F309-H348 AromaticContact CZ-CE1 4Å; E321-H348 IonicContact OE2-CE1 3.98Å; E321-H348 PolarHBondContact OE2-CE1 2.75Å; E321-H348 VanDerWaalsContact OE2-CE1 3.24Å; E321-H348 IonicContact OE2-NE2 3.06Å; I322-H348 CarbonylContact O-C 3.52Å; I322-H348 WeakPolarHBondContact O-CA 3.28Å; S323-H348 PolarHBondContact OG-ND1 2.81Å; E345-H348 WeakPolarHBondContact OE1-CB 3.41Å; E345-H348 IonicContact OE1-CG 3.9Å; E345-H348 IonicContact OE1-ND1 2.99Å; E345-H348 PolarHBondContact OE1-ND1 3.2Å; E345-H348 VanDerWaalsContact OE1-ND1 3.14Å
349	E	87.2	Confident	68.9	Low	59 Å²	59	86.8 Å²	86.8	28%	0.276	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	137.8	173	-175.8	171.9	167.1	0	0	111.9	F29 E321 I322 Y347	F29-E349 WeakPolarHBondContact CD2-OE2 3.38Å; F29-E349 WeakPolarHBondContact CE2-OE2 3.28Å; E321-E349 WeakPolarHBondContact CA-O 3.46Å; I322-E349 PolarHBondContact N-O 3.33Å; I322-E349 PolarHBondContact O-N 2.76Å; Y347-E349 HydrophobicContact CE1-CB 3.85Å; Y347-E349 PolarHBondContact OH-OE2 2.65Å
350	K	87	Confident	69.9	Low	126 Å²	126	89.2 Å²	89.2	55%	0.548	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	118.2	172.7	-58.1	-163.4	177.5	-147.7	0	110.7	E321	E321-K350 HydrophobicContact CG-CG 4.11Å; E321-K350 WeakPolarHBondContact OE1-CD 3.24Å; E321-K350 WeakPolarHBondContact OE1-CE 3.2Å; E321-K350 IonicContact OE1-NZ 3.56Å; E321-K350 PolarHBondContact OE1-NZ 3.39Å
351	L	83.8	Confident	71.3	Confident	11 Å²	11	83.6 Å²	83.6	6%	0.058	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	118.9	177.5	-65.3	173.6	0	0	0	111.6	F29 L308 Y320 I322 M353 I375	F29-L351 HydrophobicContact CD1-CD2 4Å; F29-L351 HydrophobicContact CE1-CD2 3.81Å; F29-L351 HydrophobicContact CZ-CD2 4.43Å; L308-L351 HydrophobicContact CD1-CD1 3.99Å; Y320-L351 WeakPolarHBondContact O-CA 3.43Å; Y320-L351 WeakPolarHBondContact O-CB 3.47Å; Y320-L351 PolarHBondContact O-N 3.04Å; I322-L351 HydrophobicContact CD1-CD1 3.5Å; I322-L351 VanDerWaalsContact CD1-CD1 3.5Å; I322-L351 HydrophobicContact CD1-CD2 4.49Å; I322-L351 HydrophobicContact CD1-CG 4.24Å; I322-L351 HydrophobicContact CG1-CD1 3.71Å; I322-L351 HydrophobicContact CG1-CG 4.34Å; L351-M353 HydrophobicContact CB-CG 4.15Å; L351-M353 PolarHBondContact O-N 3.23Å; L351-M353 VanDerWaalsContact O-N 3.11Å; L351-I375 HydrophobicContact CD1-CG2 4.17Å
352	S	76.9	Confident	72.9	Confident	113 Å²	113	76 Å²	76	79%	0.79	40%	0.401	S	S	*	.			trans	-83.5	78.1	171.1	177.5	0	0	0	0	110.9
353	M	75.1	Confident	73.8	Confident	13 Å²	13	71.7 Å²	71.7	6%	0.064	38%	0.383	C	S	.	.			trans	-90.1	140.6	174.2	-56.2	-174.6	81.2	0	0	111.5	Y320 L351 S355 I375 E380 F382	Y320-M353 HydrophobicContact CD2-CB 4.06Å; Y320-M353 HydrophobicContact CD2-CG 4.19Å; Y320-M353 HydrophobicContact CD2-SD 3.82Å; Y320-M353 HydrophobicContact CE2-CB 4.48Å; Y320-M353 HydrophobicContact CE2-SD 4.47Å; Y320-M353 HydrophobicContact CG-SD 4.29Å; L351-M353 HydrophobicContact CB-CG 4.15Å; L351-M353 PolarHBondContact O-N 3.23Å; L351-M353 VanDerWaalsContact O-N 3.11Å; M353-S355 VanDerWaalsContact C-N 3.33Å; M353-S355 PolarHBondContact O-N 3.23Å; M353-I375 HydrophobicContact CE-CG2 4.21Å; M353-I375 HydrophobicContact SD-CG2 4.17Å; M353-E380 WeakPolarHBondContact CA-OE2 3.47Å; M353-F382 HydrophobicContact CE-CD2 3.9Å; M353-F382 HydrophobicContact CE-CE2 3.79Å; M353-F382 HydrophobicContact CG-CD2 4.49Å; M353-F382 HydrophobicContact CG-CE2 3.9Å
354	K	66.1	Low	74.4	Confident	165 Å²	165	69.7 Å²	69.7	72%	0.717	38%	0.376	S	S	*	.			trans	-74.5	84.6	175.7	-66.4	176	-164.5	151.8	0	110.2	E380	K354-E380 WeakPolarHBondContact CB-OE1 3.43Å; K354-E380 WeakPolarHBondContact CD-OE1 3.23Å; K354-E380 VanDerWaalsContact CG-OE1 3.23Å; K354-E380 WeakPolarHBondContact CG-OE1 3.22Å; K354-E380 PolarHBondContact N-OE2 2.77Å; K354-E380 IonicContact NZ-OE1 2.91Å
355	S	55.9	Low	74.7	Confident	41 Å²	41	63.4 Å²	63.4	29%	0.287	35%	0.351	S	S	.	.			trans	-90	115.1	175.3	-175.1	0	0	0	0	111.2	S318 M353	S318-S355 WeakPolarHBondContact CB-OG 3.5Å; S318-S355 VanDerWaalsContact OG-CB 3.31Å; S318-S355 WeakPolarHBondContact OG-CB 3.29Å; S318-S355 PolarHBondContact OG-OG 2.96Å; M353-S355 VanDerWaalsContact C-N 3.33Å; M353-S355 PolarHBondContact O-N 3.23Å
356	T	49.5	Very low	75.2	Confident	101 Å²	101	60.8 Å²	60.8	62%	0.62	34%	0.343	S	S	*	.			trans	-75.6	126.5	158.9	54.1	0	0	0	0	108	S358 S359	T356-S358 PolarHBondContact O-N 3.27Å; T356-S359 PolarHBondContact O-N 3.01Å
357	A	43.9	Very low	75.5	Confident	100 Å²	100	58 Å²	58	83%	0.826	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	4.1	-167.6	0	0	0	0	0	118.7
358	S	48.1	Very low	75.4	Confident	87 Å²	87	60.3 Å²	60.3	61%	0.608	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	13.9	-177.5	63.1	0	0	0	0	114.7	T356	T356-S358 PolarHBondContact O-N 3.27Å
359	S	51.3	Low	75.2	Confident	11 Å²	11	63.9 Å²	63.9	8%	0.077	36%	0.362	C	S	.	.			trans	-125.1	85.3	-167.4	176	0	0	0	0	114.1	T356 I361 R378	T356-S359 PolarHBondContact O-N 3.01Å; S359-I361 PolarHBondContact O-N 3.39Å; S359-I361 VanDerWaalsContact O-N 3.09Å; S359-R378 VanDerWaalsContact CB-NH1 3.28Å; S359-R378 WeakPolarHBondContact OG-CD 3.48Å; S359-R378 WeakPolarHBondContact OG-CG 3.35Å; S359-R378 PolarHBondContact OG-NE 3.07Å; S359-R378 PolarHBondContact OG-NH1 3.44Å
360	H	61.2	Low	75.3	Confident	154 Å²	154	65.6 Å²	65.6	71%	0.713	37%	0.371	S	S	*	.			trans	-73.3	11.2	-177.6	-56.5	-64.3	0	0	0	116.5	V362	H360-V362 PolarHBondContact O-N 3.09Å
361	I	74.5	Confident	75.4	Confident	50 Å²	50	61.1 Å²	61.1	26%	0.256	35%	0.353	S	S	.	.			trans	-95.3	94.9	-179.6	-55.1	178.5	0	0	0	108.4	S359 F376 S377 R378	S359-I361 PolarHBondContact O-N 3.39Å; S359-I361 VanDerWaalsContact O-N 3.09Å; I361-F376 HydrophobicContact CG2-CE2 4.14Å; I361-S377 WeakPolarHBondContact O-CA 3.49Å; I361-R378 HydrophobicContact CB-CG 4.29Å
362	V	86	Confident	75.9	Confident	15 Å²	15	61.5 Å²	61.5	9%	0.091	36%	0.355	C	S	.	.			trans	-126.5	137	165.8	170.5	0	0	0	0	107.8	L308 Y320 H360 F376	L308-V362 HydrophobicContact CD2-CG1 3.55Å; L308-V362 HydrophobicContact CG-CG1 4.28Å; Y320-V362 HydrophobicContact CD1-CB 4.49Å; Y320-V362 HydrophobicContact CD1-CG1 4.1Å; Y320-V362 HydrophobicContact CD1-CG2 4.38Å; Y320-V362 HydrophobicContact CD2-CG2 4.48Å; Y320-V362 HydrophobicContact CE1-CB 3.99Å; Y320-V362 HydrophobicContact CE1-CG1 4.1Å; Y320-V362 HydrophobicContact CE1-CG2 3.69Å; Y320-V362 HydrophobicContact CE2-CG2 3.81Å; Y320-V362 WeakPolarHBondContact OH-CG2 3.29Å; H360-V362 PolarHBondContact O-N 3.09Å; V362-F376 VanDerWaalsContact CA-O 3.3Å; V362-F376 WeakPolarHBondContact CA-O 3.44Å
363	G	88.8	Confident	76.8	Confident	8 Å²	8	56.1 Å²	56.1	8%	0.082	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	168.1	-177.2	0	0	0	0	0	112.8	I375 F376	G363-I375 WeakPolarHBondContact O-CA 3.28Å; G363-F376 PolarHBondContact N-O 2.92Å; G363-F376 VanDerWaalsContact N-O 3.08Å; G363-F376 VanDerWaalsContact O-CD1 3.27Å; G363-F376 WeakPolarHBondContact O-CD1 3.38Å; G363-F376 PolarHBondContact O-N 3.05Å
364	L	93	Very high	77.7	Confident	19 Å²	19	55.5 Å²	55.5	10%	0.099	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	127.6	178.2	-174.5	144.2	0	0	0	108.7	S299 L306 L308 S366 H373 Y374 I375	S299-L364 VanDerWaalsContact CB-CD2 3.41Å; L306-L364 HydrophobicContact CD2-CD1 3.73Å; L306-L364 HydrophobicContact CG-CD1 4.22Å; L308-L364 HydrophobicContact CB-CD1 4.35Å; L308-L364 HydrophobicContact CD2-CB 4.23Å; L364-S366 WeakPolarHBondContact CD2-OG 3.47Å; L364-H373 HydrophobicContact CD1-CB 4.44Å; L364-H373 HydrophobicContact CD2-CB 4.5Å; L364-H373 HydrophobicContact CG-CB 4.46Å; L364-Y374 CarbonylContact C-O 3.55Å; L364-Y374 WeakPolarHBondContact CA-O 3.25Å; L364-I375 HydrophobicContact CD1-CG1 4.01Å; L364-I375 HydrophobicContact CG-CG1 4.47Å
365	A	93.6	Very high	79	Confident	13 Å²	13	47.6 Å²	47.6	11%	0.107	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	125.9	176.9	0	0	0	0	0	109.5	V48 V50 Y374	V48-A365 HydrophobicContact CG1-CB 4.27Å; V50-A365 HydrophobicContact CG2-CB 3.65Å; A365-Y374 PolarHBondContact N-O 3.01Å; A365-Y374 WeakPolarHBondContact O-CB 3.48Å; A365-Y374 PolarHBondContact O-N 3.32Å
366	S	94.4	Very high	80.8	Confident	33 Å²	33	46.5 Å²	46.5	23%	0.231	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	143.6	-175.9	-52.1	0	0	0	0	110.8	S299 L364 T372 H373	S299-S366 VanDerWaalsContact CB-OG 3.32Å; S299-S366 WeakPolarHBondContact CB-OG 3.36Å; S299-S366 PolarHBondContact OG-OG 3.34Å; L364-S366 WeakPolarHBondContact CD2-OG 3.47Å; S366-T372 WeakPolarHBondContact CA-O 3.48Å; S366-H373 WeakPolarHBondContact CB-ND1 3.35Å; S366-H373 PolarHBondContact OG-ND1 3.48Å
367	V	93	Very high	82.6	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.018	24%	0.244	C	C	.	.			trans	-66.3	127.6	168.7	-177.9	0	0	0	0	108	V50 H369 E370 T372 Y374	V50-V367 HydrophobicContact CG1-CB 4.4Å; V50-V367 HydrophobicContact CG1-CG2 3.47Å; V50-V367 VanDerWaalsContact CG1-CG2 3.47Å; V367-H369 PolarHBondContact O-N 2.76Å; V367-E370 HydrophobicContact CB-CB 4.01Å; V367-E370 HydrophobicContact CG1-CB 3.99Å; V367-E370 HydrophobicContact CG1-CG 3.97Å; V367-E370 WeakPolarHBondContact CG1-OE2 3.45Å; V367-E370 PolarHBondContact O-N 3.09Å; V367-T372 HydrophobicContact CG2-CG2 3.83Å; V367-T372 PolarHBondContact N-O 2.62Å; V367-Y374 HydrophobicContact CG2-CD2 4.48Å; V367-Y374 HydrophobicContact CG2-CE2 3.99Å
368	P	85.9	Confident	84.8	Confident	69 Å²	69	40.8 Å²	40.8	45%	0.448	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	134.4	177.4	-24.7	34	0	0	0	111.6	E370	P368-E370 PolarHBondContact O-N 2.98Å; P368-E370 VanDerWaalsContact O-N 3.16Å
369	H	83.7	Confident	86.7	Confident	150 Å²	150	40.6 Å²	40.6	69%	0.694	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.2	7.3	178.3	-48.5	-75.6	0	0	0	116.6	V367	V367-H369 PolarHBondContact O-N 2.76Å
370	E	89.2	Confident	88.5	Confident	96 Å²	96	41.5 Å²	41.5	45%	0.449	21%	0.209	S	C	.	.	S	Bend	trans	-122.9	157.9	176.4	-62.7	178	-166.4	0	0	111.1	V367 P368 T372	V367-E370 HydrophobicContact CB-CB 4.01Å; V367-E370 HydrophobicContact CG1-CB 3.99Å; V367-E370 HydrophobicContact CG1-CG 3.97Å; V367-E370 WeakPolarHBondContact CG1-OE2 3.45Å; V367-E370 PolarHBondContact O-N 3.09Å; P368-E370 PolarHBondContact O-N 2.98Å; P368-E370 VanDerWaalsContact O-N 3.16Å; E370-T372 PolarHBondContact O-N 3.06Å
371	N	90.1	Very high	89.9	Confident	32 Å²	32	34.2 Å²	34.2	17%	0.171	18%	0.175	C	C	.	.	S	Bend	trans	-90.4	38.7	175	-63.5	-35.9	0	0	0	111.8	Q302 E386	Q302-N371 WeakPolarHBondContact CG-ND2 3.42Å; Q302-N371 PolarHBondContact N-OD1 3.4Å; N371-E386 HydrophobicContact CB-CB 4.19Å; N371-E386 PolarHBondContact ND2-OE2 3.47Å
372	T	93.9	Very high	90.8	Very high	18 Å²	18	33.4 Å²	33.4	11%	0.11	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.3	178.2	-61.4	0	0	0	0	109.1	S366 V367 E370 Y374 Q385	S366-T372 WeakPolarHBondContact CA-O 3.48Å; V367-T372 HydrophobicContact CG2-CG2 3.83Å; V367-T372 PolarHBondContact N-O 2.62Å; E370-T372 PolarHBondContact O-N 3.06Å; T372-Y374 HydrophobicContact CG2-CD2 4.38Å; T372-Y374 HydrophobicContact CG2-CE2 3.71Å; T372-Q385 HydrophobicContact CG2-CG 3.87Å
373	H	95.2	Very high	91.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	137	-174.8	-50.9	-68.2	0	0	0	110.2	R300 H301 L306 L364 S366 C383 A384	R300-H373 PolarHBondContact O-CE1 3.45Å; H301-H373 AromaticContact CG-NE2 3.76Å; H301-H373 AromaticContact ND1-CD2 3.64Å; H301-H373 AromaticContact ND1-NE2 3.03Å; H301-H373 PolarHBondContact ND1-NE2 3.44Å; L306-H373 HydrophobicContact CD2-CB 3.89Å; L306-H373 WeakPolarHBondContact CD2-CD2 3.44Å; L306-H373 VanDerWaalsContact CD2-CG 3.4Å; L364-H373 HydrophobicContact CD1-CB 4.44Å; L364-H373 HydrophobicContact CD2-CB 4.5Å; L364-H373 HydrophobicContact CG-CB 4.46Å; S366-H373 WeakPolarHBondContact CB-ND1 3.35Å; S366-H373 PolarHBondContact OG-ND1 3.48Å; H373-C383 CarbonylContact O-C 3.55Å; H373-C383 WeakPolarHBondContact O-CA 3.45Å; H373-A384 HydrophobicContact CB-CB 4.36Å; H373-A384 PolarHBondContact N-O 2.77Å; H373-A384 PolarHBondContact O-N 2.69Å
374	Y	95.2	Very high	91.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	115.7	175.9	-73.4	-85.8	0	0	0	109.5	I32 V50 I55 H69 L364 A365 V367 T372 L381 F382 C383	I32-Y374 HydrophobicContact CD1-CE1 4.28Å; I32-Y374 HydrophobicContact CG1-CD1 4.5Å; I32-Y374 HydrophobicContact CG1-CE1 4.14Å; V50-Y374 HydrophobicContact CB-CD2 4.29Å; V50-Y374 HydrophobicContact CG1-CD2 3.67Å; V50-Y374 HydrophobicContact CG1-CE2 3.67Å; V50-Y374 HydrophobicContact CG2-CD2 3.7Å; V50-Y374 HydrophobicContact CG2-CE2 4.47Å; V50-Y374 HydrophobicContact CG2-CG 4.14Å; I55-Y374 HydrophobicContact CD1-CD1 3.82Å; I55-Y374 HydrophobicContact CD1-CE1 3.24Å; I55-Y374 HydrophobicContact CD1-CE2 4.24Å; I55-Y374 VanDerWaalsContact CD1-CZ 3.48Å; I55-Y374 HydrophobicContact CG1-CD1 4.47Å; I55-Y374 HydrophobicContact CG1-CE1 4.05Å; I55-Y374 HydrophobicContact CG1-CE2 4.18Å; H69-Y374 WeakPolarHBondContact CB-OH 3.07Å; H69-Y374 AromaticContact ND1-CE2 3.78Å; H69-Y374 AromaticContact ND1-CZ 3.62Å; H69-Y374 PolarHBondContact ND1-OH 3.21Å; L364-Y374 CarbonylContact C-O 3.55Å; L364-Y374 WeakPolarHBondContact CA-O 3.25Å; A365-Y374 PolarHBondContact N-O 3.01Å; A365-Y374 WeakPolarHBondContact O-CB 3.48Å; A365-Y374 PolarHBondContact O-N 3.32Å; V367-Y374 HydrophobicContact CG2-CD2 4.48Å; V367-Y374 HydrophobicContact CG2-CE2 3.99Å; T372-Y374 HydrophobicContact CG2-CD2 4.38Å; T372-Y374 HydrophobicContact CG2-CE2 3.71Å; Y374-L381 HydrophobicContact CD1-CD1 4.18Å; Y374-L381 HydrophobicContact CD1-CD2 4.32Å; Y374-L381 HydrophobicContact CD1-CG 4.16Å; Y374-F382 CarbonylContact C-O 3.59Å; Y374-F382 VanDerWaalsContact CA-O 3.28Å; Y374-F382 WeakPolarHBondContact CA-O 3.37Å; Y374-C383 HydrophobicContact CD1-CB 4.05Å; Y374-C383 HydrophobicContact CE1-CB 3.63Å
375	I	93.6	Very high	91.3	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	125.5	176.2	-59.1	125.6	0	0	0	107.8	F29 L308 I322 L351 M353 G363 L364 L381 F382 A384	F29-I375 HydrophobicContact CD1-CD1 4.45Å; F29-I375 HydrophobicContact CE1-CD1 3.88Å; L308-I375 HydrophobicContact CD1-CG2 4.17Å; L308-I375 HydrophobicContact CD2-CG2 3.83Å; I322-I375 HydrophobicContact CD1-CD1 3.25Å; I322-I375 HydrophobicContact CD1-CG1 3.82Å; L351-I375 HydrophobicContact CD1-CG2 4.17Å; M353-I375 HydrophobicContact CE-CG2 4.21Å; M353-I375 HydrophobicContact SD-CG2 4.17Å; G363-I375 WeakPolarHBondContact O-CA 3.28Å; L364-I375 HydrophobicContact CD1-CG1 4.01Å; L364-I375 HydrophobicContact CG-CG1 4.47Å; I375-L381 CarbonylContact O-C 3.57Å; I375-L381 WeakPolarHBondContact O-CA 3.4Å; I375-F382 HydrophobicContact CB-CB 4.48Å; I375-F382 PolarHBondContact N-O 2.95Å; I375-F382 PolarHBondContact O-N 3.33Å; I375-A384 HydrophobicContact CD1-CB 3.75Å
376	F	91.9	Very high	91.1	Very high	17 Å²	17	38.3 Å²	38.3	8%	0.075	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	146.6	-176.2	65.8	-88.3	0	0	0	112.1	I45 V48 I361 V362 G363 E380 L381	I45-F376 HydrophobicContact CG2-CD2 4Å; V48-F376 HydrophobicContact CB-CD1 3.68Å; V48-F376 HydrophobicContact CB-CE1 3.76Å; V48-F376 HydrophobicContact CB-CG 4.1Å; V48-F376 HydrophobicContact CB-CZ 4.24Å; V48-F376 HydrophobicContact CG1-CD1 4.49Å; V48-F376 HydrophobicContact CG2-CB 3.91Å; V48-F376 HydrophobicContact CG2-CD1 3.66Å; V48-F376 HydrophobicContact CG2-CD2 3.83Å; V48-F376 HydrophobicContact CG2-CE1 4.08Å; V48-F376 HydrophobicContact CG2-CE2 4.23Å; V48-F376 HydrophobicContact CG2-CG 3.53Å; V48-F376 HydrophobicContact CG2-CZ 4.34Å; I361-F376 HydrophobicContact CG2-CE2 4.14Å; V362-F376 VanDerWaalsContact CA-O 3.3Å; V362-F376 WeakPolarHBondContact CA-O 3.44Å; G363-F376 PolarHBondContact N-O 2.92Å; G363-F376 VanDerWaalsContact N-O 3.08Å; G363-F376 VanDerWaalsContact O-CD1 3.27Å; G363-F376 WeakPolarHBondContact O-CD1 3.38Å; G363-F376 PolarHBondContact O-N 3.05Å; F376-E380 WeakPolarHBondContact CA-O 3.49Å; F376-L381 HydrophobicContact CB-CD1 3.64Å
377	S	88.8	Confident	90.7	Very high	9 Å²	9	37.9 Å²	37.9	6%	0.063	18%	0.182	C	C	.	.			trans	-115.5	-171.4	162.7	72.3	0	0	0	0	109.3	I45 I361 K379 E380	I45-S377 WeakPolarHBondContact CB-O 3.26Å; I361-S377 WeakPolarHBondContact O-CA 3.49Å; S377-K379 PolarHBondContact O-N 3.18Å; S377-K379 VanDerWaalsContact O-N 3.16Å; S377-K379 PolarHBondContact OG-N 3.27Å; S377-E380 PolarHBondContact N-O 3.01Å; S377-E380 PolarHBondContact OG-N 3.02Å; S377-E380 VanDerWaalsContact OG-N 3.1Å
378	R	88.6	Confident	90.5	Very high	73 Å²	73	41.2 Å²	41.2	28%	0.275	20%	0.203	S	C	.	.	S	Bend	trans	-60.9	-20.6	173.1	-79.7	-161.4	-168.5	145.5	4.4	114.6	S44 I45 S359 I361	S44-R378 WeakPolarHBondContact CA-O 2.93Å; I45-R378 PolarHBondContact N-O 3.01Å; S359-R378 VanDerWaalsContact CB-NH1 3.28Å; S359-R378 WeakPolarHBondContact OG-CD 3.48Å; S359-R378 WeakPolarHBondContact OG-CG 3.35Å; S359-R378 PolarHBondContact OG-NE 3.07Å; S359-R378 PolarHBondContact OG-NH1 3.44Å; I361-R378 HydrophobicContact CB-CG 4.29Å
379	K	88	Confident	90.7	Very high	83 Å²	83	39.4 Å²	39.4	36%	0.361	19%	0.189	S	C	.	.	S	Bend	trans	-132.5	-15.6	-170.8	-64.7	-65.1	-175.4	178.5	0	114.9	T40 D43 S44 S377	T40-K379 WeakPolarHBondContact CB-O 3.34Å; T40-K379 WeakPolarHBondContact CG2-O 3.43Å; T40-K379 VanDerWaalsContact O-CD 3.27Å; T40-K379 WeakPolarHBondContact O-CD 3.32Å; T40-K379 WeakPolarHBondContact O-CE 3.32Å; T40-K379 PolarHBondContact O-NZ 3.22Å; T40-K379 PolarHBondContact OG1-O 2.81Å; D43-K379 PolarHBondContact O-NZ 3.16Å; S44-K379 WeakPolarHBondContact OG-CE 3.38Å; S44-K379 PolarHBondContact OG-NZ 3.25Å; S377-K379 PolarHBondContact O-N 3.18Å; S377-K379 VanDerWaalsContact O-N 3.16Å; S377-K379 PolarHBondContact OG-N 3.27Å
380	E	89.6	Confident	91	Very high	29 Å²	29	32.4 Å²	32.4	14%	0.136	16%	0.157	C	C	.	.			trans	-129	151.8	-174.1	-63.6	177.4	150.3	0	0	110.5	M353 K354 F376 S377 F382	M353-E380 WeakPolarHBondContact CA-OE2 3.47Å; K354-E380 WeakPolarHBondContact CB-OE1 3.43Å; K354-E380 WeakPolarHBondContact CD-OE1 3.23Å; K354-E380 VanDerWaalsContact CG-OE1 3.23Å; K354-E380 WeakPolarHBondContact CG-OE1 3.22Å; K354-E380 PolarHBondContact N-OE2 2.77Å; K354-E380 IonicContact NZ-OE1 2.91Å; F376-E380 WeakPolarHBondContact CA-O 3.49Å; S377-E380 PolarHBondContact N-O 3.01Å; S377-E380 PolarHBondContact OG-N 3.02Å; S377-E380 VanDerWaalsContact OG-N 3.1Å; E380-F382 HydrophobicContact CB-CE2 3.79Å; E380-F382 HydrophobicContact CB-CZ 4.3Å
381	L	91.6	Very high	91.1	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	123.8	175.7	-177.4	69.2	0	0	0	108.1	I32 L36 I55 Y374 I375 F376	I32-L381 HydrophobicContact CB-CB 4.19Å; I32-L381 HydrophobicContact CB-CD2 4.03Å; I32-L381 HydrophobicContact CB-CG 4.16Å; I32-L381 WeakPolarHBondContact CB-O 3.46Å; I32-L381 HydrophobicContact CG1-CD2 4.21Å; I32-L381 HydrophobicContact CG1-CG 4.19Å; I32-L381 HydrophobicContact CG2-CD2 4.01Å; I32-L381 PolarHBondContact N-O 3.41Å; L36-L381 HydrophobicContact CD2-CB 3.31Å; L36-L381 HydrophobicContact CD2-CD2 4.32Å; L36-L381 HydrophobicContact CD2-CG 4.46Å; I55-L381 HydrophobicContact CD1-CD2 4.24Å; I55-L381 HydrophobicContact CG2-CD2 4.24Å; Y374-L381 HydrophobicContact CD1-CD1 4.18Å; Y374-L381 HydrophobicContact CD1-CD2 4.32Å; Y374-L381 HydrophobicContact CD1-CG 4.16Å; I375-L381 CarbonylContact O-C 3.57Å; I375-L381 WeakPolarHBondContact O-CA 3.4Å; F376-L381 HydrophobicContact CB-CD1 3.64Å
382	F	92.1	Very high	91.2	Very high	33 Å²	33	30.9 Å²	30.9	15%	0.145	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	138.7	176	-60.7	-86.4	0	0	0	109.1	K30 M353 Y374 I375 E380	K30-F382 CarbonylContact O-C 3.54Å; K30-F382 WeakPolarHBondContact O-CA 3.34Å; M353-F382 HydrophobicContact CE-CD2 3.9Å; M353-F382 HydrophobicContact CE-CE2 3.79Å; M353-F382 HydrophobicContact CG-CD2 4.49Å; M353-F382 HydrophobicContact CG-CE2 3.9Å; Y374-F382 CarbonylContact C-O 3.59Å; Y374-F382 VanDerWaalsContact CA-O 3.28Å; Y374-F382 WeakPolarHBondContact CA-O 3.37Å; I375-F382 HydrophobicContact CB-CB 4.48Å; I375-F382 PolarHBondContact N-O 2.95Å; I375-F382 PolarHBondContact O-N 3.33Å; E380-F382 HydrophobicContact CB-CE2 3.79Å; E380-F382 HydrophobicContact CB-CZ 4.3Å
383	C	93.5	Very high	91.1	Very high	3 Å²	3	30 Å²	30	2%	0.02	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	120.9	168.5	-170.8	0	0	0	0	108.2	F29 K30 I32 H373 Y374	F29-C383 CarbonylContact C-O 3.55Å; F29-C383 WeakPolarHBondContact CA-O 3.46Å; K30-C383 HydrophobicContact CB-CB 4.43Å; K30-C383 PolarHBondContact N-O 3.19Å; K30-C383 PolarHBondContact O-N 3.36Å; I32-C383 HydrophobicContact CD1-CB 3.99Å; I32-C383 HydrophobicContact CG1-CB 4.22Å; H373-C383 CarbonylContact O-C 3.55Å; H373-C383 WeakPolarHBondContact O-CA 3.45Å; Y374-C383 HydrophobicContact CD1-CB 4.05Å; Y374-C383 HydrophobicContact CE1-CB 3.63Å
384	A	93.4	Very high	90.9	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.5	170.3	0	0	0	0	0	108.2	L27 K28 F29 H373 I375	L27-A384 HydrophobicContact CD1-CB 4.49Å; K28-A384 WeakPolarHBondContact O-CA 3.5Å; F29-A384 HydrophobicContact CD1-CB 3.86Å; F29-A384 HydrophobicContact CE1-CB 3.5Å; F29-A384 HydrophobicContact CZ-CB 4.03Å; H373-A384 HydrophobicContact CB-CB 4.36Å; H373-A384 PolarHBondContact N-O 2.77Å; H373-A384 PolarHBondContact O-N 2.69Å; I375-A384 HydrophobicContact CD1-CB 3.75Å
385	Q	91.6	Very high	90.7	Very high	74 Å²	74	33.9 Å²	33.9	35%	0.346	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	152.8	-177.2	-70.8	179.3	-25.3	0	0	110.5	L27 K28 T372	L27-Q385 CarbonylContact C-O 3.36Å; L27-Q385 WeakPolarHBondContact CA-O 3.47Å; K28-Q385 PolarHBondContact N-O 3.39Å; K28-Q385 PolarHBondContact O-N 3.02Å; T372-Q385 HydrophobicContact CG2-CG 3.87Å
386	E	88.8	Confident	90.5	Very high	81 Å²	81	34.3 Å²	34.3	38%	0.379	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	140.3	165.6	-176.2	175.6	176	0	0	110.8	Q302 N371	Q302-E386 PolarHBondContact NE2-OE1 2.92Å; N371-E386 HydrophobicContact CB-CB 4.19Å; N371-E386 PolarHBondContact ND2-OE2 3.47Å
387	L	87.1	Confident	90.5	Very high	25 Å²	25	34.8 Å²	34.8	13%	0.131	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-70.6	131.1	175.9	-73.5	145.4	0	0	0	110.4	P25 K28 D391 R392	P25-L387 HydrophobicContact CB-CD1 3.87Å; P25-L387 HydrophobicContact CG-CD1 3.83Å; P25-L387 WeakPolarHBondContact O-CD1 3.28Å; K28-L387 HydrophobicContact CB-CD2 4Å; K28-L387 HydrophobicContact CB-CG 4.35Å; L387-D391 HydrophobicContact CB-CB 4.25Å; L387-D391 HydrophobicContact CD2-CB 3.47Å; L387-D391 VanDerWaalsContact CD2-CB 3.47Å; L387-D391 HydrophobicContact CG-CB 4.47Å; L387-R392 HydrophobicContact CB-CG 4.01Å
388	T	88.9	Confident	90.5	Very high	73 Å²	73	41.7 Å²	41.7	45%	0.448	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-70.9	160.3	167.2	66	0	0	0	0	110.1	D390 D391 R392	T388-D390 PolarHBondContact O-N 2.96Å; T388-D391 WeakPolarHBondContact CB-OD2 3.24Å; T388-D391 PolarHBondContact N-OD2 2.96Å; T388-D391 VanDerWaalsContact N-OD2 3.11Å; T388-D391 WeakPolarHBondContact O-CB 3.32Å; T388-D391 PolarHBondContact O-N 3.23Å; T388-D391 PolarHBondContact OG1-N 2.72Å; T388-D391 PolarHBondContact OG1-OD2 3.13Å; T388-R392 PolarHBondContact O-N 3.35Å
389	L	89.3	Confident	90.5	Very high	31 Å²	31	41.3 Å²	41.3	16%	0.162	20%	0.198	C	C	.	.	H	α-helix	trans	-58.1	-34.7	174.2	-70.7	172.6	0	0	0	112.2	D391 R392 I393 T408 H412 L415 L416	L389-D391 VanDerWaalsContact C-N 3.35Å; L389-R392 PolarHBondContact O-N 3.01Å; L389-I393 WeakPolarHBondContact O-CG1 3.23Å; L389-I393 PolarHBondContact O-N 3.19Å; L389-T408 HydrophobicContact CD2-CG2 4.16Å; L389-H412 HydrophobicContact CD1-CB 3.7Å; L389-L415 HydrophobicContact CD1-CB 3.61Å; L389-L415 HydrophobicContact CD1-CD1 3.73Å; L389-L415 HydrophobicContact CD1-CG 4.3Å; L389-L416 HydrophobicContact CB-CD2 3.96Å
390	D	91.5	Very high	90.5	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	20%	0.202	C	C	.	.	H	α-helix	trans	-64.4	-38.8	173.3	-72.1	-64.2	0	0	0	111.9	T388 R392 I393 D394 T417 R418 H419	T388-D390 PolarHBondContact O-N 2.96Å; D390-R392 VanDerWaalsContact C-N 3.35Å; D390-I393 PolarHBondContact O-N 3.42Å; D390-D394 VanDerWaalsContact O-CG 3.32Å; D390-D394 PolarHBondContact O-N 2.82Å; D390-T417 PolarHBondContact OD1-N 2.8Å; D390-T417 WeakPolarHBondContact OD2-CA 3.44Å; D390-T417 PolarHBondContact OD2-N 3.18Å; D390-T417 PolarHBondContact OD2-OG1 3.46Å; D390-R418 VanDerWaalsContact C-NH2 3.29Å; D390-R418 HydrophobicContact CB-CB 4.19Å; D390-R418 VanDerWaalsContact CG-N 3.35Å; D390-R418 PolarHBondContact O-NH2 2.92Å; D390-R418 PolarHBondContact OD1-N 2.65Å; D390-R418 PolarHBondContact OD2-N 3.12Å; D390-R418 VanDerWaalsContact OD2-N 3.14Å; D390-H419 IonicContact OD1-CD2 2.73Å; D390-H419 IonicContact OD1-CG 3.11Å; D390-H419 PolarHBondContact OD1-N 3.28Å
391	D	90.8	Very high	90.4	Very high	18 Å²	18	41.2 Å²	41.2	10%	0.096	21%	0.207	C	C	.	.	H	α-helix	trans	-67.7	-36.9	177.1	-62.4	-55.2	0	0	0	111.5	K28 L387 T388 L389 D394 W395 R418	K28-D391 IonicContact NZ-OD1 3.94Å; K28-D391 PolarHBondContact NZ-OD1 3.33Å; K28-D391 IonicContact NZ-OD2 3.3Å; L387-D391 HydrophobicContact CB-CB 4.25Å; L387-D391 HydrophobicContact CD2-CB 3.47Å; L387-D391 VanDerWaalsContact CD2-CB 3.47Å; L387-D391 HydrophobicContact CG-CB 4.47Å; T388-D391 WeakPolarHBondContact CB-OD2 3.24Å; T388-D391 PolarHBondContact N-OD2 2.96Å; T388-D391 VanDerWaalsContact N-OD2 3.11Å; T388-D391 WeakPolarHBondContact O-CB 3.32Å; T388-D391 PolarHBondContact O-N 3.23Å; T388-D391 PolarHBondContact OG1-N 2.72Å; T388-D391 PolarHBondContact OG1-OD2 3.13Å; L389-D391 VanDerWaalsContact C-N 3.35Å; D391-D394 PolarHBondContact O-N 3.31Å; D391-W395 PolarHBondContact O-N 3Å; D391-R418 VanDerWaalsContact N-NH2 3.18Å; D391-R418 IonicContact OD1-CZ 2.97Å; D391-R418 IonicContact OD1-NH1 3.43Å; D391-R418 IonicContact OD1-NH2 3.71Å; D391-R418 PolarHBondContact OD1-NH2 3.36Å
392	R	90.7	Very high	90.3	Very high	78 Å²	78	42 Å²	42	29%	0.294	21%	0.21	S	C	.	.	H	α-helix	trans	-63.6	-44.2	174	-63.8	177.2	71.4	-152.8	-2.3	111.1	E24 L387 T388 L389 D390 W395 F396	E24-R392 IonicContact OE1-CZ 3.48Å; E24-R392 IonicContact OE1-NE 3.72Å; E24-R392 PolarHBondContact OE1-NE 3.02Å; E24-R392 IonicContact OE1-NH2 3.84Å; E24-R392 PolarHBondContact OE1-NH2 3.32Å; E24-R392 IonicContact OE2-NH2 3.16Å; E24-R392 PolarHBondContact OE2-NH2 3.4Å; L387-R392 HydrophobicContact CB-CG 4.01Å; T388-R392 PolarHBondContact O-N 3.35Å; L389-R392 PolarHBondContact O-N 3.01Å; D390-R392 VanDerWaalsContact C-N 3.35Å; R392-W395 WeakPolarHBondContact O-CB 3.26Å; R392-W395 PolarHBondContact O-N 3.3Å; R392-F396 HydrophobicContact CB-CE2 4.35Å; R392-F396 WeakPolarHBondContact O-CD2 3.28Å; R392-F396 WeakPolarHBondContact O-CG 3.37Å; R392-F396 PolarHBondContact O-N 3.46Å
393	I	92	Very high	90.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.9	-44.5	176.6	-70	166.1	0	0	0	111.2	L389 D390 W395 F396 L397 T408 A409 L416 H419 V424	L389-I393 WeakPolarHBondContact O-CG1 3.23Å; L389-I393 PolarHBondContact O-N 3.19Å; D390-I393 PolarHBondContact O-N 3.42Å; I393-W395 PolarHBondContact O-N 3.23Å; I393-F396 PolarHBondContact O-N 2.92Å; I393-L397 HydrophobicContact CG2-CD1 3.95Å; I393-L397 HydrophobicContact CG2-CG 4.24Å; I393-L397 VanDerWaalsContact O-CG 3.29Å; I393-L397 WeakPolarHBondContact O-CG 3.46Å; I393-L397 PolarHBondContact O-N 3.2Å; I393-T408 HydrophobicContact CG1-CG2 4.17Å; I393-A409 HydrophobicContact CD1-CB 3.86Å; I393-L416 HydrophobicContact CD1-CD1 4.16Å; I393-L416 HydrophobicContact CD1-CD2 3.45Å; I393-L416 VanDerWaalsContact CD1-CD2 3.45Å; I393-L416 HydrophobicContact CD1-CG 4.45Å; I393-H419 HydrophobicContact CG2-CB 4.42Å; I393-V424 HydrophobicContact CG2-CG1 4.4Å; I393-V424 HydrophobicContact CG2-CG2 3.65Å
394	D	92.3	Very high	89.8	Confident	41 Å²	41	45.7 Å²	45.7	22%	0.219	23%	0.227	C	C	.	.	H	α-helix	trans	-53.3	-47.4	174	-75.6	-35.2	0	0	0	110.5	D390 D391 L397 E398 R418 H419	D390-D394 VanDerWaalsContact O-CG 3.32Å; D390-D394 PolarHBondContact O-N 2.82Å; D391-D394 PolarHBondContact O-N 3.31Å; D394-L397 PolarHBondContact O-N 3.28Å; D394-E398 WeakPolarHBondContact O-CB 3.44Å; D394-E398 VanDerWaalsContact O-CG 3.32Å; D394-E398 WeakPolarHBondContact O-CG 3.38Å; D394-E398 PolarHBondContact O-N 2.86Å; D394-R418 IonicContact OD2-CZ 3.87Å; D394-R418 IonicContact OD2-NE 3.96Å; D394-R418 IonicContact OD2-NH1 3.19Å; D394-R418 PolarHBondContact OD2-NH1 3.03Å; D394-R418 IonicContact OD2-NH2 2.8Å; D394-R418 PolarHBondContact OD2-NH2 3.28Å; D394-H419 IonicContact OD1-CD2 3.21Å; D394-H419 IonicContact OD1-CE1 3.42Å; D394-H419 PolarHBondContact OD1-CE1 3.1Å; D394-H419 IonicContact OD1-NE2 2.95Å; D394-H419 PolarHBondContact OD1-NE2 3.27Å
395	W	90.5	Very high	89.6	Confident	39 Å²	39	45.7 Å²	45.7	15%	0.148	23%	0.227	C	C	.	.	H	α-helix	trans	-63.3	-43.2	178.6	-175.2	89.3	0	0	0	112.7	A22 E24 P25 D391 R392 I393 L397 E398 N399 L401	A22-W395 HydrophobicContact CB-CH2 3.95Å; A22-W395 HydrophobicContact CB-CZ2 3.61Å; A22-W395 WeakPolarHBondContact O-CH2 3.47Å; E24-W395 HydrophobicContact CB-CH2 4.35Å; E24-W395 HydrophobicContact CB-CZ3 4.28Å; E24-W395 HydrophobicContact CG-CE3 4.3Å; E24-W395 HydrophobicContact CG-CZ3 4.34Å; P25-W395 VanDerWaalsContact CD-CE2 3.45Å; P25-W395 HydrophobicContact CG-CD2 4.44Å; P25-W395 HydrophobicContact CG-CG 4.04Å; D391-W395 PolarHBondContact O-N 3Å; R392-W395 WeakPolarHBondContact O-CB 3.26Å; R392-W395 PolarHBondContact O-N 3.3Å; I393-W395 PolarHBondContact O-N 3.23Å; W395-L397 VanDerWaalsContact C-N 3.33Å; W395-L397 PolarHBondContact O-N 3.06Å; W395-E398 PolarHBondContact O-N 3.44Å; W395-N399 PolarHBondContact NE1-ND2 3.4Å; W395-N399 PolarHBondContact O-N 3.21Å; W395-N399 VanDerWaalsContact O-N 3.07Å; W395-N399 PolarHBondContact O-ND2 3.42Å; W395-L401 HydrophobicContact CH2-CD1 4.11Å; W395-L401 HydrophobicContact CZ3-CD1 3.75Å
396	F	90.4	Very high	89.6	Confident	10 Å²	10	42.2 Å²	42.2	4%	0.044	21%	0.21	C	C	.	.	H	α-helix	trans	-59.6	-44.6	175.3	-71.4	-45.4	0	0	0	111.8	R392 I393 N399 S400 L401 K404 T408	R392-F396 HydrophobicContact CB-CE2 4.35Å; R392-F396 WeakPolarHBondContact O-CD2 3.28Å; R392-F396 WeakPolarHBondContact O-CG 3.37Å; R392-F396 PolarHBondContact O-N 3.46Å; I393-F396 PolarHBondContact O-N 2.92Å; F396-N399 CarbonylContact O-C 3.46Å; F396-N399 PolarHBondContact O-N 3.1Å; F396-S400 PolarHBondContact O-N 3.45Å; F396-L401 HydrophobicContact CB-CB 4.28Å; F396-L401 HydrophobicContact CD1-CB 4.11Å; F396-L401 HydrophobicContact CD1-CD1 4.04Å; F396-L401 WeakPolarHBondContact O-CA 3.29Å; F396-L401 PolarHBondContact O-N 3.19Å; F396-K404 HydrophobicContact CD1-CB 4.19Å; F396-K404 HydrophobicContact CE1-CB 4.27Å; F396-K404 HydrophobicContact CE1-CD 4.49Å; F396-K404 HydrophobicContact CG-CB 4.39Å; F396-K404 HydrophobicContact CZ-CB 4.49Å; F396-T408 WeakPolarHBondContact CE2-OG1 3.38Å
397	L	90.6	Very high	89.7	Confident	27 Å²	27	42 Å²	42	14%	0.141	21%	0.21	C	C	.	.	H	α-helix	trans	-66.3	-40.4	178.7	-66.3	177.8	0	0	0	112.4	I393 D394 W395 N399 S400 F402 V424 T427	I393-L397 HydrophobicContact CG2-CD1 3.95Å; I393-L397 HydrophobicContact CG2-CG 4.24Å; I393-L397 VanDerWaalsContact O-CG 3.29Å; I393-L397 WeakPolarHBondContact O-CG 3.46Å; I393-L397 PolarHBondContact O-N 3.2Å; D394-L397 PolarHBondContact O-N 3.28Å; W395-L397 VanDerWaalsContact C-N 3.33Å; W395-L397 PolarHBondContact O-N 3.06Å; L397-N399 VanDerWaalsContact C-N 3.27Å; L397-N399 PolarHBondContact O-N 2.96Å; L397-S400 PolarHBondContact O-N 3.35Å; L397-F402 HydrophobicContact CD2-CD1 3.49Å; L397-F402 VanDerWaalsContact CD2-CD1 3.49Å; L397-F402 HydrophobicContact CD2-CE1 3.95Å; L397-V424 HydrophobicContact CD2-CG1 4.22Å; L397-T427 HydrophobicContact CD2-CG2 4.22Å
398	E	89.8	Confident	89.8	Confident	154 Å²	154	41.6 Å²	41.6	72%	0.72	21%	0.208	S	C	*	.	H	α-helix	trans	-66.1	-29.1	177.4	-75.3	177	-179	0	0	112.9	D394 W395	D394-E398 WeakPolarHBondContact O-CB 3.44Å; D394-E398 VanDerWaalsContact O-CG 3.32Å; D394-E398 WeakPolarHBondContact O-CG 3.38Å; D394-E398 PolarHBondContact O-N 2.86Å; W395-E398 PolarHBondContact O-N 3.44Å
399	N	87.1	Confident	89.9	Confident	65 Å²	65	38.1 Å²	38.1	35%	0.348	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	15.2	178.1	-68.8	-83.4	0	0	0	113.4	W395 F396 L397 L401	W395-N399 PolarHBondContact NE1-ND2 3.4Å; W395-N399 PolarHBondContact O-N 3.21Å; W395-N399 VanDerWaalsContact O-N 3.07Å; W395-N399 PolarHBondContact O-ND2 3.42Å; F396-N399 CarbonylContact O-C 3.46Å; F396-N399 PolarHBondContact O-N 3.1Å; L397-N399 VanDerWaalsContact C-N 3.27Å; L397-N399 PolarHBondContact O-N 2.96Å; N399-L401 HydrophobicContact CB-CD1 4.42Å; N399-L401 HydrophobicContact CB-CG 4.48Å; N399-L401 PolarHBondContact O-N 3.29Å; N399-L401 VanDerWaalsContact O-N 3.17Å
400	S	88.3	Confident	90	Very high	64 Å²	64	40 Å²	40	45%	0.448	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	20.7	-179.2	-53.5	0	0	0	0	115.3	F396 L397 F402	F396-S400 PolarHBondContact O-N 3.45Å; L397-S400 PolarHBondContact O-N 3.35Å; S400-F402 VanDerWaalsContact C-N 3.28Å; S400-F402 VanDerWaalsContact CA-CE2 3.47Å; S400-F402 VanDerWaalsContact O-CD2 3.28Å; S400-F402 WeakPolarHBondContact O-CD2 3.35Å; S400-F402 PolarHBondContact O-N 3.01Å
401	L	87.7	Confident	89.9	Confident	45 Å²	45	46.3 Å²	46.3	24%	0.236	22%	0.224	C	C	.	.			trans	-90.3	61.4	175.6	-65.1	172.2	0	0	0	110	W395 F396 N399 S403 G405	W395-L401 HydrophobicContact CH2-CD1 4.11Å; W395-L401 HydrophobicContact CZ3-CD1 3.75Å; F396-L401 HydrophobicContact CB-CB 4.28Å; F396-L401 HydrophobicContact CD1-CB 4.11Å; F396-L401 HydrophobicContact CD1-CD1 4.04Å; F396-L401 WeakPolarHBondContact O-CA 3.29Å; F396-L401 PolarHBondContact O-N 3.19Å; N399-L401 HydrophobicContact CB-CD1 4.42Å; N399-L401 HydrophobicContact CB-CG 4.48Å; N399-L401 PolarHBondContact O-N 3.29Å; N399-L401 VanDerWaalsContact O-N 3.17Å; L401-S403 PolarHBondContact O-N 2.8Å; L401-G405 PolarHBondContact O-N 3.43Å; L401-G405 VanDerWaalsContact O-N 3.09Å
402	F	90	Very high	89.6	Confident	18 Å²	18	49.7 Å²	49.7	8%	0.079	24%	0.239	C	C	.	.	H	α-helix	trans	-67.8	-37.1	-170.1	-60.7	-76.9	0	0	0	112.8	E12 L397 S400 G405 L406 T427 Y428 Y431	E12-F402 PolarHBondContact OE1-N 3.35Å; L397-F402 HydrophobicContact CD2-CD1 3.49Å; L397-F402 VanDerWaalsContact CD2-CD1 3.49Å; L397-F402 HydrophobicContact CD2-CE1 3.95Å; S400-F402 VanDerWaalsContact C-N 3.28Å; S400-F402 VanDerWaalsContact CA-CE2 3.47Å; S400-F402 VanDerWaalsContact O-CD2 3.28Å; S400-F402 WeakPolarHBondContact O-CD2 3.35Å; S400-F402 PolarHBondContact O-N 3.01Å; F402-G405 PolarHBondContact O-N 2.98Å; F402-L406 WeakPolarHBondContact O-CB 3.22Å; F402-L406 PolarHBondContact O-N 2.82Å; F402-T427 HydrophobicContact CD1-CG2 4.31Å; F402-T427 HydrophobicContact CE1-CG2 3.88Å; F402-Y428 HydrophobicContact CB-CD1 4.25Å; F402-Y428 HydrophobicContact CB-CD2 3.17Å; F402-Y428 HydrophobicContact CB-CE2 3.67Å; F402-Y428 HydrophobicContact CB-CG 3.51Å; F402-Y428 HydrophobicContact CD2-CD2 4.23Å; F402-Y428 AromaticContact CG-CD2 3.82Å; F402-Y428 HydrophobicContact CG-CD2 3.82Å; F402-Y428 HydrophobicContact CG-CE2 4.46Å; F402-Y428 HydrophobicContact CG-CG 4.38Å; F402-Y431 AromaticContact CD2-CD1 3.53Å; F402-Y431 HydrophobicContact CD2-CD1 3.53Å; F402-Y431 HydrophobicContact CD2-CD2 4.2Å; F402-Y431 AromaticContact CD2-CE1 3.98Å; F402-Y431 HydrophobicContact CD2-CE1 3.98Å; F402-Y431 AromaticContact CD2-CG 3.65Å; F402-Y431 HydrophobicContact CD2-CG 3.65Å; F402-Y431 AromaticContact CE2-CD1 3.71Å; F402-Y431 HydrophobicContact CE2-CD1 3.71Å; F402-Y431 AromaticContact CE2-CD2 3.48Å; F402-Y431 HydrophobicContact CE2-CD2 3.48Å; F402-Y431 VanDerWaalsContact CE2-CD2 3.48Å; F402-Y431 HydrophobicContact CE2-CE1 4.16Å; F402-Y431 AromaticContact CE2-CE2 3.97Å; F402-Y431 HydrophobicContact CE2-CE2 3.97Å; F402-Y431 AromaticContact CE2-CG 3.33Å; F402-Y431 HydrophobicContact CE2-CG 3.33Å; F402-Y431 HydrophobicContact CG-CD1 4.44Å; F402-Y431 HydrophobicContact CZ-CD2 4.16Å; F402-Y431 HydrophobicContact CZ-CG 4.05Å
403	S	87.1	Confident	89.3	Confident	6 Å²	6	49.3 Å²	49.3	4%	0.042	25%	0.247	C	C	.	.	H	α-helix	trans	-55.2	-58.2	175.1	64.9	0	0	0	0	111.9	E12 L401 G405 L406 E407	E12-S403 WeakPolarHBondContact OE1-CB 3.19Å; E12-S403 PolarHBondContact OE1-N 2.79Å; E12-S403 VanDerWaalsContact OE2-CB 3.27Å; E12-S403 WeakPolarHBondContact OE2-CB 3.46Å; E12-S403 PolarHBondContact OE2-OG 3.41Å; L401-S403 PolarHBondContact O-N 2.8Å; S403-G405 VanDerWaalsContact C-N 3.29Å; S403-G405 PolarHBondContact O-N 2.99Å; S403-L406 WeakPolarHBondContact O-CB 3.37Å; S403-L406 PolarHBondContact O-N 3.3Å; S403-E407 WeakPolarHBondContact O-CG 3.5Å; S403-E407 PolarHBondContact O-N 3.07Å
404	K	87.1	Confident	89	Confident	108 Å²	108	60.8 Å²	60.8	47%	0.47	29%	0.29	S	S	.	.	H	α-helix	trans	-59.5	-38.9	178.2	-69	-179.5	-179.4	171	0	112.1	F396 L406 E407 T408	F396-K404 HydrophobicContact CD1-CB 4.19Å; F396-K404 HydrophobicContact CE1-CB 4.27Å; F396-K404 HydrophobicContact CE1-CD 4.49Å; F396-K404 HydrophobicContact CG-CB 4.39Å; F396-K404 HydrophobicContact CZ-CB 4.49Å; K404-L406 VanDerWaalsContact C-N 3.34Å; K404-E407 PolarHBondContact O-N 3.34Å; K404-T408 WeakPolarHBondContact O-CB 3.09Å; K404-T408 PolarHBondContact O-N 2.88Å; K404-T408 PolarHBondContact O-OG1 3.45Å
405	G	90.4	Very high	88.7	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-59.4	-44.4	173.7	0	0	0	0	0	112.2	L401 F402 S403 A409	L401-G405 PolarHBondContact O-N 3.43Å; L401-G405 VanDerWaalsContact O-N 3.09Å; F402-G405 PolarHBondContact O-N 2.98Å; S403-G405 VanDerWaalsContact C-N 3.29Å; S403-G405 PolarHBondContact O-N 2.99Å; G405-A409 WeakPolarHBondContact O-CB 3.41Å; G405-A409 PolarHBondContact O-N 2.79Å; G405-A409 VanDerWaalsContact O-N 3.1Å
406	L	91.2	Very high	88.6	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-70.3	-41.3	178.6	-176.2	62.4	0	0	0	112.6	F402 S403 K404 A409 Q410 V421 V424 Y428 L444 V448	F402-L406 WeakPolarHBondContact O-CB 3.22Å; F402-L406 PolarHBondContact O-N 2.82Å; S403-L406 WeakPolarHBondContact O-CB 3.37Å; S403-L406 PolarHBondContact O-N 3.3Å; K404-L406 VanDerWaalsContact C-N 3.34Å; L406-A409 PolarHBondContact O-N 3.12Å; L406-Q410 HydrophobicContact CD1-CG 4.48Å; L406-Q410 WeakPolarHBondContact O-CG 3.47Å; L406-Q410 PolarHBondContact O-N 3.14Å; L406-V421 HydrophobicContact CD1-CG1 3.98Å; L406-V424 HydrophobicContact CB-CG1 4.18Å; L406-V424 HydrophobicContact CD1-CB 4.42Å; L406-V424 HydrophobicContact CD1-CG1 4.28Å; L406-Y428 HydrophobicContact CD2-CD1 4.18Å; L406-L444 HydrophobicContact CD2-CD1 3.65Å; L406-V448 HydrophobicContact CD1-CG2 4.24Å; L406-V448 HydrophobicContact CD2-CG2 3.98Å
407	E	90.5	Very high	88.5	Confident	78 Å²	78	68.7 Å²	68.7	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-58.4	-50.6	174.7	-71.2	-176.9	157.3	0	0	111.1	F5 S403 K404 A409 Q410 E411	F5-E407 HydrophobicContact CE1-CG 4.48Å; F5-E407 WeakPolarHBondContact CE1-OE1 3.41Å; F5-E407 HydrophobicContact CE2-CG 4.44Å; F5-E407 HydrophobicContact CZ-CG 3.7Å; F5-E407 WeakPolarHBondContact CZ-OE1 3.18Å; S403-E407 WeakPolarHBondContact O-CG 3.5Å; S403-E407 PolarHBondContact O-N 3.07Å; K404-E407 PolarHBondContact O-N 3.34Å; E407-A409 PolarHBondContact O-N 3.11Å; E407-Q410 PolarHBondContact O-N 3.23Å; E407-E411 WeakPolarHBondContact O-CG 3.4Å; E407-E411 PolarHBondContact O-N 2.53Å
408	T	89	Confident	88.5	Confident	16 Å²	16	73.6 Å²	73.6	10%	0.098	36%	0.356	C	S	.	.	H	α-helix	trans	-56.9	-39.4	177.6	-55.8	0	0	0	0	111.2	L389 I393 F396 K404	L389-T408 HydrophobicContact CD2-CG2 4.16Å; I393-T408 HydrophobicContact CG1-CG2 4.17Å; F396-T408 WeakPolarHBondContact CE2-OG1 3.38Å; K404-T408 WeakPolarHBondContact O-CB 3.09Å; K404-T408 PolarHBondContact O-N 2.88Å; K404-T408 PolarHBondContact O-OG1 3.45Å
409	A	91.9	Very high	88.6	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-68	-35.3	176.5	0	0	0	0	0	113.1	I393 G405 L406 E407 P413 L416 V421 V424	I393-A409 HydrophobicContact CD1-CB 3.86Å; G405-A409 WeakPolarHBondContact O-CB 3.41Å; G405-A409 PolarHBondContact O-N 2.79Å; G405-A409 VanDerWaalsContact O-N 3.1Å; L406-A409 PolarHBondContact O-N 3.12Å; E407-A409 PolarHBondContact O-N 3.11Å; A409-P413 WeakPolarHBondContact O-CA 3.47Å; A409-L416 HydrophobicContact CB-CD1 3.89Å; A409-V421 HydrophobicContact CB-CG2 4.36Å; A409-V421 WeakPolarHBondContact O-CG2 3.46Å; A409-V424 HydrophobicContact CB-CB 4.45Å; A409-V424 HydrophobicContact CB-CG2 4.2Å
410	Q	91.5	Very high	88.8	Confident	69 Å²	69	68.4 Å²	68.4	32%	0.322	34%	0.335	S	S	.	.	H	α-helix	trans	-76.3	-33.8	-179.2	-75.6	179.1	5.7	0	0	113.5	L406 E407 H412 P413 V421	L406-Q410 HydrophobicContact CD1-CG 4.48Å; L406-Q410 WeakPolarHBondContact O-CG 3.47Å; L406-Q410 PolarHBondContact O-N 3.14Å; E407-Q410 PolarHBondContact O-N 3.23Å; Q410-H412 VanDerWaalsContact C-N 3.35Å; Q410-P413 VanDerWaalsContact O-CD 3.31Å; Q410-P413 WeakPolarHBondContact O-CD 3.47Å; Q410-V421 HydrophobicContact CG-CG1 3.72Å; Q410-V421 HydrophobicContact CG-CG2 4.42Å
411	E	89.6	Confident	89	Confident	137 Å²	137	67.2 Å²	67.2	64%	0.64	33%	0.325	S	S	*	.	H	α-helix	trans	-65	-40.4	178	-71.6	-173.3	158.4	0	0	111.6	E407 P413	E407-E411 WeakPolarHBondContact O-CG 3.4Å; E407-E411 PolarHBondContact O-N 2.53Å; E411-P413 VanDerWaalsContact C-CD 3.47Å
412	H	84	Confident	89.2	Confident	88 Å²	88	66.7 Å²	66.7	41%	0.407	32%	0.322	S	S	.	.			trans	-131.7	52.2	-169.6	-62.9	-19.7	0	0	0	114.6	L389 Q410 R414 L415	L389-H412 HydrophobicContact CD1-CB 3.7Å; Q410-H412 VanDerWaalsContact C-N 3.35Å; H412-R414 PolarHBondContact O-N 3.44Å; H412-L415 HydrophobicContact CB-CB 4.44Å; H412-L415 HydrophobicContact CB-CD1 4.11Å; H412-L415 HydrophobicContact CB-CG 4.45Å; H412-L415 PolarHBondContact O-N 3.47Å
413	P	84.6	Confident	89.4	Confident	70 Å²	70	67.7 Å²	67.7	46%	0.455	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.1	-170.8	24.9	-35.5	0	0	0	114.1	A409 Q410 E411 V421	A409-P413 WeakPolarHBondContact O-CA 3.47Å; Q410-P413 VanDerWaalsContact O-CD 3.31Å; Q410-P413 WeakPolarHBondContact O-CD 3.47Å; E411-P413 VanDerWaalsContact C-CD 3.47Å; P413-V421 HydrophobicContact CB-CG2 4.05Å
414	R	86.5	Confident	89.7	Confident	241 Å²	241	67.4 Å²	67.4	91%	0.909	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-15.8	179.3	-65.2	-175.8	-178.5	166	2.1	113.9	H412	H412-R414 PolarHBondContact O-N 3.44Å
415	L	85.6	Confident	90	Very high	113 Å²	113	62.3 Å²	62.3	59%	0.592	31%	0.307	S	S	*	.	S	Bend	trans	-93.9	-7.2	-179.2	-62.7	-178.8	0	0	0	112.2	L389 H412	L389-L415 HydrophobicContact CD1-CB 3.61Å; L389-L415 HydrophobicContact CD1-CD1 3.73Å; L389-L415 HydrophobicContact CD1-CG 4.3Å; H412-L415 HydrophobicContact CB-CB 4.44Å; H412-L415 HydrophobicContact CB-CD1 4.11Å; H412-L415 HydrophobicContact CB-CG 4.45Å; H412-L415 PolarHBondContact O-N 3.47Å
416	L	87.8	Confident	90.1	Very high	21 Å²	21	64.2 Å²	64.2	11%	0.11	32%	0.316	C	S	.	.			trans	-81.2	135.5	177.4	-53.3	179.1	0	0	0	110.6	L389 I393 A409 H419	L389-L416 HydrophobicContact CB-CD2 3.96Å; I393-L416 HydrophobicContact CD1-CD1 4.16Å; I393-L416 HydrophobicContact CD1-CD2 3.45Å; I393-L416 VanDerWaalsContact CD1-CD2 3.45Å; I393-L416 HydrophobicContact CD1-CG 4.45Å; A409-L416 HydrophobicContact CB-CD1 3.89Å; L416-H419 WeakPolarHBondContact CB-O 3.25Å; L416-H419 HydrophobicContact CD1-CB 4.5Å
417	T	88.8	Confident	90.3	Very high	122 Å²	122	67 Å²	67	75%	0.748	33%	0.334	S	S	*	.	S	Bend	trans	-118.1	-35.1	-179.9	63.5	0	0	0	0	112.3	D390	D390-T417 PolarHBondContact OD1-N 2.8Å; D390-T417 WeakPolarHBondContact OD2-CA 3.44Å; D390-T417 PolarHBondContact OD2-N 3.18Å; D390-T417 PolarHBondContact OD2-OG1 3.46Å
418	R	90.1	Very high	90.4	Very high	131 Å²	131	63.4 Å²	63.4	49%	0.494	32%	0.317	S	S	.	.	S	Bend	trans	-98.5	-36.8	179.1	-65	-174.3	-65.6	179.6	-0.5	111.8	D390 D391 D394	D390-R418 VanDerWaalsContact C-NH2 3.29Å; D390-R418 HydrophobicContact CB-CB 4.19Å; D390-R418 VanDerWaalsContact CG-N 3.35Å; D390-R418 PolarHBondContact O-NH2 2.92Å; D390-R418 PolarHBondContact OD1-N 2.65Å; D390-R418 PolarHBondContact OD2-N 3.12Å; D390-R418 VanDerWaalsContact OD2-N 3.14Å; D391-R418 VanDerWaalsContact N-NH2 3.18Å; D391-R418 IonicContact OD1-CZ 2.97Å; D391-R418 IonicContact OD1-NH1 3.43Å; D391-R418 IonicContact OD1-NH2 3.71Å; D391-R418 PolarHBondContact OD1-NH2 3.36Å; D394-R418 IonicContact OD2-CZ 3.87Å; D394-R418 IonicContact OD2-NE 3.96Å; D394-R418 IonicContact OD2-NH1 3.19Å; D394-R418 PolarHBondContact OD2-NH1 3.03Å; D394-R418 IonicContact OD2-NH2 2.8Å; D394-R418 PolarHBondContact OD2-NH2 3.28Å
419	H	91.7	Very high	90.6	Very high	30 Å²	30	62.7 Å²	62.7	14%	0.139	31%	0.312	C	S	.	.			trans	-101.8	159	-179.5	-71.3	-64.4	0	0	0	112.9	D390 I393 D394 L416 V424	D390-H419 IonicContact OD1-CD2 2.73Å; D390-H419 IonicContact OD1-CG 3.11Å; D390-H419 PolarHBondContact OD1-N 3.28Å; I393-H419 HydrophobicContact CG2-CB 4.42Å; D394-H419 IonicContact OD1-CD2 3.21Å; D394-H419 IonicContact OD1-CE1 3.42Å; D394-H419 PolarHBondContact OD1-CE1 3.1Å; D394-H419 IonicContact OD1-NE2 2.95Å; D394-H419 PolarHBondContact OD1-NE2 3.27Å; L416-H419 WeakPolarHBondContact CB-O 3.25Å; L416-H419 HydrophobicContact CD1-CB 4.5Å; H419-V424 HydrophobicContact CB-CG2 3.91Å
420	T	92.2	Very high	90.6	Very high	80 Å²	80	65.4 Å²	65.4	49%	0.491	33%	0.327	S	S	.	.			trans	-128.6	156.1	166.7	61.1	0	0	0	0	108.2	Q422 S423 V424	T420-Q422 PolarHBondContact O-N 3.37Å; T420-Q422 VanDerWaalsContact O-N 3.14Å; T420-S423 PolarHBondContact N-OG 3.16Å; T420-S423 PolarHBondContact O-N 3.49Å; T420-S423 PolarHBondContact O-OG 3.19Å; T420-S423 WeakPolarHBondContact OG1-CB 3.37Å; T420-S423 PolarHBondContact OG1-N 2.81Å; T420-S423 PolarHBondContact OG1-OG 3.23Å; T420-V424 WeakPolarHBondContact O-CG2 3.47Å; T420-V424 PolarHBondContact O-N 2.91Å
421	V	92	Very high	90.6	Very high	38 Å²	38	63.6 Å²	63.6	23%	0.23	32%	0.317	C	S	.	.	H	α-helix	trans	-51.9	-40.2	173.3	-178.1	0	0	0	0	110.4	L406 A409 Q410 P413 G425 V448	L406-V421 HydrophobicContact CD1-CG1 3.98Å; A409-V421 HydrophobicContact CB-CG2 4.36Å; A409-V421 WeakPolarHBondContact O-CG2 3.46Å; Q410-V421 HydrophobicContact CG-CG1 3.72Å; Q410-V421 HydrophobicContact CG-CG2 4.42Å; P413-V421 HydrophobicContact CB-CG2 4.05Å; V421-G425 PolarHBondContact O-N 3.34Å; V421-V448 HydrophobicContact CG1-CG1 4.29Å; V421-V448 WeakPolarHBondContact O-CG1 3.23Å
422	Q	92.5	Very high	90.7	Very high	35 Å²	35	57.1 Å²	57.1	16%	0.164	29%	0.287	C	S	.	.	H	α-helix	trans	-64.5	-44.6	177.2	-167.4	174.1	-75.5	0	0	113.3	T420 I426 L449 S450 T451	T420-Q422 PolarHBondContact O-N 3.37Å; T420-Q422 VanDerWaalsContact O-N 3.14Å; Q422-I426 HydrophobicContact CG-CD1 3.86Å; Q422-I426 HydrophobicContact CG-CG1 4.4Å; Q422-I426 WeakPolarHBondContact O-CB 3.2Å; Q422-I426 WeakPolarHBondContact O-CG1 3.43Å; Q422-I426 PolarHBondContact O-N 2.54Å; Q422-L449 HydrophobicContact CG-CD2 4.44Å; Q422-S450 PolarHBondContact OE1-OG 3.21Å; Q422-T451 PolarHBondContact NE2-OG1 3.4Å; Q422-T451 PolarHBondContact OE1-OG1 2.92Å
423	S	93.1	Very high	91.1	Very high	39 Å²	39	53.6 Å²	53.6	27%	0.273	27%	0.271	S	S	.	.	H	α-helix	trans	-66.1	-43.3	-179.9	63.5	0	0	0	0	111.7	T420 I426 T427	T420-S423 PolarHBondContact N-OG 3.16Å; T420-S423 PolarHBondContact O-N 3.49Å; T420-S423 PolarHBondContact O-OG 3.19Å; T420-S423 WeakPolarHBondContact OG1-CB 3.37Å; T420-S423 PolarHBondContact OG1-N 2.81Å; T420-S423 PolarHBondContact OG1-OG 3.23Å; S423-I426 PolarHBondContact O-N 3.37Å; S423-T427 PolarHBondContact O-N 2.98Å; S423-T427 VanDerWaalsContact O-N 3.15Å; S423-T427 PolarHBondContact O-OG1 3.45Å; S423-T427 VanDerWaalsContact O-OG1 3.05Å
424	V	93.7	Very high	91.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.9	-45.8	177.9	179.7	0	0	0	0	110.6	I393 L397 L406 A409 H419 T420 I426 T427 Y428	I393-V424 HydrophobicContact CG2-CG1 4.4Å; I393-V424 HydrophobicContact CG2-CG2 3.65Å; L397-V424 HydrophobicContact CD2-CG1 4.22Å; L406-V424 HydrophobicContact CB-CG1 4.18Å; L406-V424 HydrophobicContact CD1-CB 4.42Å; L406-V424 HydrophobicContact CD1-CG1 4.28Å; A409-V424 HydrophobicContact CB-CB 4.45Å; A409-V424 HydrophobicContact CB-CG2 4.2Å; H419-V424 HydrophobicContact CB-CG2 3.91Å; T420-V424 WeakPolarHBondContact O-CG2 3.47Å; T420-V424 PolarHBondContact O-N 2.91Å; V424-I426 PolarHBondContact O-N 2.7Å; V424-T427 WeakPolarHBondContact O-CB 3.13Å; V424-T427 PolarHBondContact O-N 2.86Å; V424-Y428 PolarHBondContact O-N 3.4Å
425	G	93	Very high	91.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-69.2	-31.5	178.2	0	0	0	0	0	113.8	V421 T427 Y428 I429	V421-G425 PolarHBondContact O-N 3.34Å; G425-T427 VanDerWaalsContact C-N 3.34Å; G425-Y428 PolarHBondContact O-N 2.72Å; G425-I429 WeakPolarHBondContact O-CB 3.49Å; G425-I429 WeakPolarHBondContact O-CD1 3.46Å; G425-I429 WeakPolarHBondContact O-CG1 3.38Å; G425-I429 PolarHBondContact O-N 3.09Å
426	I	93.8	Very high	91.6	Very high	40 Å²	40	50.8 Å²	50.8	21%	0.205	26%	0.259	C	S	.	.	H	α-helix	trans	-61.9	-44.1	171.5	-75	166.9	0	0	0	110.5	Q422 S423 V424 Y428 I429 D430 L449 A454	Q422-I426 HydrophobicContact CG-CD1 3.86Å; Q422-I426 HydrophobicContact CG-CG1 4.4Å; Q422-I426 WeakPolarHBondContact O-CB 3.2Å; Q422-I426 WeakPolarHBondContact O-CG1 3.43Å; Q422-I426 PolarHBondContact O-N 2.54Å; S423-I426 PolarHBondContact O-N 3.37Å; V424-I426 PolarHBondContact O-N 2.7Å; I426-Y428 VanDerWaalsContact C-N 3.27Å; I426-Y428 PolarHBondContact O-N 3.24Å; I426-I429 PolarHBondContact O-N 3.49Å; I426-D430 WeakPolarHBondContact O-CB 3.36Å; I426-D430 PolarHBondContact O-N 3.13Å; I426-L449 HydrophobicContact CD1-CD2 4.31Å; I426-L449 HydrophobicContact CG1-CD2 3.9Å; I426-A454 HydrophobicContact CD1-CB 4.13Å
427	T	93.6	Very high	91.8	Very high	59 Å²	59	54.3 Å²	54.3	36%	0.362	27%	0.272	S	S	.	.	H	α-helix	trans	-59.9	-41	175.6	-49.7	0	0	0	0	111.2	L397 F402 S423 V424 G425 D430 Y431	L397-T427 HydrophobicContact CD2-CG2 4.22Å; F402-T427 HydrophobicContact CD1-CG2 4.31Å; F402-T427 HydrophobicContact CE1-CG2 3.88Å; S423-T427 PolarHBondContact O-N 2.98Å; S423-T427 VanDerWaalsContact O-N 3.15Å; S423-T427 PolarHBondContact O-OG1 3.45Å; S423-T427 VanDerWaalsContact O-OG1 3.05Å; V424-T427 WeakPolarHBondContact O-CB 3.13Å; V424-T427 PolarHBondContact O-N 2.86Å; G425-T427 VanDerWaalsContact C-N 3.34Å; T427-D430 PolarHBondContact O-N 3.29Å; T427-Y431 PolarHBondContact O-N 3.04Å; T427-Y431 VanDerWaalsContact O-N 3.09Å
428	Y	93.5	Very high	91.9	Very high	3 Å²	3	50 Å²	50	1%	0.012	24%	0.243	C	C	.	.	H	α-helix	trans	-67.8	-41.6	176.9	-172.8	-160.6	0	0	0	112.8	A8 E12 F402 L406 V424 G425 I426 D430 Y431 L432 L444	A8-Y428 WeakPolarHBondContact CB-OH 3.32Å; A8-Y428 PolarHBondContact O-OH 3.15Å; E12-Y428 PolarHBondContact OE1-OH 3.45Å; F402-Y428 HydrophobicContact CB-CD1 4.25Å; F402-Y428 HydrophobicContact CB-CD2 3.17Å; F402-Y428 HydrophobicContact CB-CE2 3.67Å; F402-Y428 HydrophobicContact CB-CG 3.51Å; F402-Y428 HydrophobicContact CD2-CD2 4.23Å; F402-Y428 AromaticContact CG-CD2 3.82Å; F402-Y428 HydrophobicContact CG-CD2 3.82Å; F402-Y428 HydrophobicContact CG-CE2 4.46Å; F402-Y428 HydrophobicContact CG-CG 4.38Å; L406-Y428 HydrophobicContact CD2-CD1 4.18Å; V424-Y428 PolarHBondContact O-N 3.4Å; G425-Y428 PolarHBondContact O-N 2.72Å; I426-Y428 VanDerWaalsContact C-N 3.27Å; I426-Y428 PolarHBondContact O-N 3.24Å; Y428-D430 VanDerWaalsContact C-N 3.29Å; Y428-D430 PolarHBondContact O-N 3.43Å; Y428-Y431 HydrophobicContact CD2-CD1 4.08Å; Y428-Y431 HydrophobicContact CE2-CD1 4.08Å; Y428-Y431 PolarHBondContact O-N 3.14Å; Y428-L432 HydrophobicContact CD2-CD1 4.2Å; Y428-L432 HydrophobicContact CD2-CG 3.97Å; Y428-L432 HydrophobicContact CE1-CD1 4.43Å; Y428-L432 HydrophobicContact CE2-CD1 4Å; Y428-L432 HydrophobicContact CE2-CD2 3.9Å; Y428-L432 HydrophobicContact CE2-CG 3.77Å; Y428-L432 WeakPolarHBondContact O-CG 3.48Å; Y428-L432 PolarHBondContact O-N 3.48Å; Y428-L444 HydrophobicContact CD1-CD1 4.16Å; Y428-L444 HydrophobicContact CD1-CD2 3.19Å; Y428-L444 HydrophobicContact CD1-CG 4.32Å; Y428-L444 HydrophobicContact CE1-CD1 4.4Å; Y428-L444 HydrophobicContact CE1-CD2 3.81Å; Y428-L444 HydrophobicContact CG-CD2 3.61Å
429	I	92.7	Very high	91.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57.9	-44.8	173.6	-68.9	160	0	0	0	110	G425 I426 Y431 L432 L433 A441 L444 C445 L449	G425-I429 WeakPolarHBondContact O-CB 3.49Å; G425-I429 WeakPolarHBondContact O-CD1 3.46Å; G425-I429 WeakPolarHBondContact O-CG1 3.38Å; G425-I429 PolarHBondContact O-N 3.09Å; I426-I429 PolarHBondContact O-N 3.49Å; I429-Y431 VanDerWaalsContact C-N 3.31Å; I429-Y431 PolarHBondContact O-N 2.78Å; I429-L432 PolarHBondContact O-N 3.01Å; I429-L433 HydrophobicContact CG2-CD1 4.05Å; I429-L433 HydrophobicContact CG2-CG 4.33Å; I429-L433 WeakPolarHBondContact O-CB 3.17Å; I429-L433 VanDerWaalsContact O-CG 3.29Å; I429-L433 WeakPolarHBondContact O-CG 3.27Å; I429-L433 PolarHBondContact O-N 3.23Å; I429-A441 HydrophobicContact CG2-CB 4.36Å; I429-L444 HydrophobicContact CD1-CG 4.43Å; I429-L444 HydrophobicContact CG1-CB 4.02Å; I429-L444 HydrophobicContact CG1-CD2 3.61Å; I429-L444 HydrophobicContact CG1-CG 3.88Å; I429-C445 HydrophobicContact CD1-CB 4.47Å; I429-L449 HydrophobicContact CD1-CD2 4.35Å
430	D	93.1	Very high	91.6	Very high	58 Å²	58	48.3 Å²	48.3	31%	0.31	25%	0.245	S	C	.	.	H	α-helix	trans	-63.3	-36.8	-180	-73.3	-10.4	0	0	0	112	I426 T427 Y428 S434 Q458 K461	I426-D430 WeakPolarHBondContact O-CB 3.36Å; I426-D430 PolarHBondContact O-N 3.13Å; T427-D430 PolarHBondContact O-N 3.29Å; Y428-D430 VanDerWaalsContact C-N 3.29Å; Y428-D430 PolarHBondContact O-N 3.43Å; D430-S434 PolarHBondContact O-N 3.37Å; D430-S434 VanDerWaalsContact O-N 3.08Å; D430-Q458 PolarHBondContact OD1-NE2 2.8Å; D430-K461 IonicContact OD1-NZ 2.8Å; D430-K461 PolarHBondContact OD1-NZ 3.48Å; D430-K461 IonicContact OD2-NZ 3.86Å; D430-K461 PolarHBondContact OD2-NZ 3.26Å
431	Y	91.5	Very high	91.5	Very high	30 Å²	30	44.5 Å²	44.5	12%	0.118	22%	0.222	C	C	.	.	H	α-helix	trans	-65.9	-47.7	171.6	169.3	-103.4	0	0	0	112.7	F402 T427 Y428 I429 L433 S434 E435	F402-Y431 AromaticContact CD2-CD1 3.53Å; F402-Y431 HydrophobicContact CD2-CD1 3.53Å; F402-Y431 HydrophobicContact CD2-CD2 4.2Å; F402-Y431 AromaticContact CD2-CE1 3.98Å; F402-Y431 HydrophobicContact CD2-CE1 3.98Å; F402-Y431 AromaticContact CD2-CG 3.65Å; F402-Y431 HydrophobicContact CD2-CG 3.65Å; F402-Y431 AromaticContact CE2-CD1 3.71Å; F402-Y431 HydrophobicContact CE2-CD1 3.71Å; F402-Y431 AromaticContact CE2-CD2 3.48Å; F402-Y431 HydrophobicContact CE2-CD2 3.48Å; F402-Y431 VanDerWaalsContact CE2-CD2 3.48Å; F402-Y431 HydrophobicContact CE2-CE1 4.16Å; F402-Y431 AromaticContact CE2-CE2 3.97Å; F402-Y431 HydrophobicContact CE2-CE2 3.97Å; F402-Y431 AromaticContact CE2-CG 3.33Å; F402-Y431 HydrophobicContact CE2-CG 3.33Å; F402-Y431 HydrophobicContact CG-CD1 4.44Å; F402-Y431 HydrophobicContact CZ-CD2 4.16Å; F402-Y431 HydrophobicContact CZ-CG 4.05Å; T427-Y431 PolarHBondContact O-N 3.04Å; T427-Y431 VanDerWaalsContact O-N 3.09Å; Y428-Y431 HydrophobicContact CD2-CD1 4.08Å; Y428-Y431 HydrophobicContact CE2-CD1 4.08Å; Y428-Y431 PolarHBondContact O-N 3.14Å; I429-Y431 VanDerWaalsContact C-N 3.31Å; I429-Y431 PolarHBondContact O-N 2.78Å; Y431-L433 PolarHBondContact O-N 3.2Å; Y431-S434 PolarHBondContact O-N 3.4Å; Y431-S434 PolarHBondContact O-OG 3.48Å; Y431-E435 HydrophobicContact CD2-CG 4.14Å; Y431-E435 HydrophobicContact CE1-CG 4.27Å; Y431-E435 HydrophobicContact CE2-CG 3.59Å; Y431-E435 PolarHBondContact O-N 3.33Å
432	L	90.5	Very high	91.4	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-61.2	-35	177.8	-70	173.7	0	0	0	111.8	Y428 I429 R436 Y437 A441 L444	Y428-L432 HydrophobicContact CD2-CD1 4.2Å; Y428-L432 HydrophobicContact CD2-CG 3.97Å; Y428-L432 HydrophobicContact CE1-CD1 4.43Å; Y428-L432 HydrophobicContact CE2-CD1 4Å; Y428-L432 HydrophobicContact CE2-CD2 3.9Å; Y428-L432 HydrophobicContact CE2-CG 3.77Å; Y428-L432 WeakPolarHBondContact O-CG 3.48Å; Y428-L432 PolarHBondContact O-N 3.48Å; I429-L432 PolarHBondContact O-N 3.01Å; L432-R436 PolarHBondContact O-N 3.47Å; L432-R436 VanDerWaalsContact O-N 3.12Å; L432-Y437 HydrophobicContact CD2-CD2 4.28Å; L432-Y437 HydrophobicContact CD2-CG 4.5Å; L432-Y437 PolarHBondContact O-N 2.82Å; L432-A441 HydrophobicContact CB-CB 3.88Å; L432-A441 HydrophobicContact CD1-CB 4.4Å; L432-L444 HydrophobicContact CD1-CD2 3.86Å
433	L	91.6	Very high	91.3	Very high	14 Å²	14	42.9 Å²	42.9	7%	0.073	21%	0.213	C	C	.	.	H	α-helix	trans	-66.7	-39	173.5	-72.3	177.6	0	0	0	112.2	I429 Y431 R436 F438 A441 K461 F462 I465	I429-L433 HydrophobicContact CG2-CD1 4.05Å; I429-L433 HydrophobicContact CG2-CG 4.33Å; I429-L433 WeakPolarHBondContact O-CB 3.17Å; I429-L433 VanDerWaalsContact O-CG 3.29Å; I429-L433 WeakPolarHBondContact O-CG 3.27Å; I429-L433 PolarHBondContact O-N 3.23Å; Y431-L433 PolarHBondContact O-N 3.2Å; L433-R436 PolarHBondContact O-N 3.41Å; L433-F438 HydrophobicContact CD2-CD1 4.08Å; L433-A441 HydrophobicContact CD2-CB 4.07Å; L433-A441 HydrophobicContact CG-CB 4.24Å; L433-K461 HydrophobicContact CD1-CB 4.17Å; L433-F462 HydrophobicContact CD1-CD2 4.48Å; L433-F462 HydrophobicContact CD1-CE2 4.25Å; L433-F462 HydrophobicContact CD2-CD1 4.18Å; L433-F462 HydrophobicContact CD2-CD2 4.35Å; L433-F462 HydrophobicContact CD2-CE1 3.79Å; L433-F462 HydrophobicContact CD2-CE2 3.97Å; L433-F462 HydrophobicContact CD2-CG 4.47Å; L433-F462 HydrophobicContact CD2-CZ 3.69Å; L433-I465 HydrophobicContact CB-CD1 4.14Å; L433-I465 HydrophobicContact CD1-CD1 4.28Å; L433-I465 HydrophobicContact CD2-CD1 4.02Å; L433-I465 HydrophobicContact CG-CD1 4.38Å
434	S	90.7	Very high	91.1	Very high	77 Å²	77	41.5 Å²	41.5	54%	0.538	20%	0.202	S	C	.	.	H	α-helix	trans	-67.1	-37	175.6	60	0	0	0	0	112.6	D430 Y431 R436	D430-S434 PolarHBondContact O-N 3.37Å; D430-S434 VanDerWaalsContact O-N 3.08Å; Y431-S434 PolarHBondContact O-N 3.4Å; Y431-S434 PolarHBondContact O-OG 3.48Å; S434-R436 VanDerWaalsContact C-N 3.26Å; S434-R436 PolarHBondContact O-N 3.32Å
435	E	89.1	Confident	90.9	Very high	91 Å²	91	41.5 Å²	41.5	43%	0.425	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	3.6	177.5	-64.4	-51.2	130.3	0	0	114	Y431 Y437	Y431-E435 HydrophobicContact CD2-CG 4.14Å; Y431-E435 HydrophobicContact CE1-CG 4.27Å; Y431-E435 HydrophobicContact CE2-CG 3.59Å; Y431-E435 PolarHBondContact O-N 3.33Å; E435-Y437 VanDerWaalsContact C-N 3.3Å; E435-Y437 HydrophobicContact CB-CD2 3.6Å; E435-Y437 HydrophobicContact CB-CE2 3.79Å; E435-Y437 PolarHBondContact O-N 3.03Å
436	R	89.1	Confident	90.7	Very high	197 Å²	197	43.8 Å²	43.8	74%	0.743	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.3	22.2	177.8	-50.7	-177	173.6	-162.5	-3.5	115.4	L432 L433 S434 F438	L432-R436 PolarHBondContact O-N 3.47Å; L432-R436 VanDerWaalsContact O-N 3.12Å; L433-R436 PolarHBondContact O-N 3.41Å; S434-R436 VanDerWaalsContact C-N 3.26Å; S434-R436 PolarHBondContact O-N 3.32Å; R436-F438 VanDerWaalsContact C-N 3.3Å; R436-F438 HydrophobicContact CB-CE1 4.23Å; R436-F438 HydrophobicContact CB-CE2 3.92Å; R436-F438 HydrophobicContact CB-CZ 3.6Å; R436-F438 HydrophobicContact CG-CZ 3.99Å; R436-F438 WeakPolarHBondContact O-CD2 3.45Å; R436-F438 WeakPolarHBondContact O-CE2 3.36Å; R436-F438 PolarHBondContact O-N 3.24Å; R436-F438 VanDerWaalsContact O-N 3.11Å
437	Y	90.2	Very high	90.4	Very high	95 Å²	95	46.6 Å²	46.6	37%	0.373	23%	0.233	S	C	.	.			trans	-85.8	65.2	172.9	-66.5	-66.7	0	0	0	111.8	A11 L432 E435 I439 G440 A441	A11-Y437 HydrophobicContact CB-CD1 4.35Å; A11-Y437 HydrophobicContact CB-CD2 3.83Å; A11-Y437 HydrophobicContact CB-CE1 4.14Å; A11-Y437 HydrophobicContact CB-CE2 3.59Å; A11-Y437 HydrophobicContact CB-CG 4.21Å; L432-Y437 HydrophobicContact CD2-CD2 4.28Å; L432-Y437 HydrophobicContact CD2-CG 4.5Å; L432-Y437 PolarHBondContact O-N 2.82Å; E435-Y437 VanDerWaalsContact C-N 3.3Å; E435-Y437 HydrophobicContact CB-CD2 3.6Å; E435-Y437 HydrophobicContact CB-CE2 3.79Å; E435-Y437 PolarHBondContact O-N 3.03Å; Y437-I439 PolarHBondContact O-N 2.88Å; Y437-G440 PolarHBondContact O-N 2.92Å; Y437-A441 PolarHBondContact O-N 3.11Å; Y437-A441 VanDerWaalsContact O-N 3.08Å
438	F	91.1	Very high	90.2	Very high	33 Å²	33	44.1 Å²	44.1	15%	0.145	22%	0.218	C	C	.	.	H	α-helix	trans	-63.1	-40.9	-169.6	-50.3	-58.9	0	0	0	114.2	L433 R436 A441 G442 F462 I465 H467 A470	L433-F438 HydrophobicContact CD2-CD1 4.08Å; R436-F438 VanDerWaalsContact C-N 3.3Å; R436-F438 HydrophobicContact CB-CE1 4.23Å; R436-F438 HydrophobicContact CB-CE2 3.92Å; R436-F438 HydrophobicContact CB-CZ 3.6Å; R436-F438 HydrophobicContact CG-CZ 3.99Å; R436-F438 WeakPolarHBondContact O-CD2 3.45Å; R436-F438 WeakPolarHBondContact O-CE2 3.36Å; R436-F438 PolarHBondContact O-N 3.24Å; R436-F438 VanDerWaalsContact O-N 3.11Å; F438-A441 PolarHBondContact O-N 3.4Å; F438-G442 PolarHBondContact O-N 2.93Å; F438-F462 HydrophobicContact CB-CE1 4.49Å; F438-I465 HydrophobicContact CD1-CG2 4.43Å; F438-I465 HydrophobicContact CE1-CG2 3.58Å; F438-I465 HydrophobicContact CZ-CG2 3.98Å; F438-H467 HydrophobicContact CB-CB 4.35Å; F438-H467 HydrophobicContact CD1-CB 4.22Å; F438-H467 HydrophobicContact CD2-CB 4.28Å; F438-H467 AromaticContact CD2-CD2 3.44Å; F438-H467 VanDerWaalsContact CD2-CD2 3.44Å; F438-H467 WeakPolarHBondContact CD2-CD2 3.4Å; F438-H467 AromaticContact CD2-CG 3.69Å; F438-H467 AromaticContact CD2-NE2 3.66Å; F438-H467 AromaticContact CE2-CD2 3.17Å; F438-H467 WeakPolarHBondContact CE2-CD2 3.34Å; F438-H467 AromaticContact CE2-CG 3.92Å; F438-H467 AromaticContact CE2-NE2 3.27Å; F438-H467 VanDerWaalsContact CE2-NE2 3.27Å; F438-H467 WeakPolarHBondContact CE2-NE2 3.31Å; F438-H467 HydrophobicContact CG-CB 4.01Å; F438-H467 AromaticContact CG-CD2 3.97Å; F438-H467 AromaticContact CG-CG 3.94Å; F438-H467 AromaticContact CZ-CD2 3.48Å; F438-H467 VanDerWaalsContact CZ-CD2 3.48Å; F438-H467 WeakPolarHBondContact CZ-CD2 3.01Å; F438-H467 AromaticContact CZ-NE2 3.95Å; F438-A470 HydrophobicContact CB-CB 3.85Å; F438-A470 WeakPolarHBondContact O-CB 3.41Å
439	I	88.6	Confident	90	Very high	116 Å²	116	44.6 Å²	44.6	60%	0.595	22%	0.22	S	C	*	.	H	α-helix	trans	-66.1	-44.6	-178.3	-60.7	173.2	0	0	0	110.5	Y437 A441 G442 I443	Y437-I439 PolarHBondContact O-N 2.88Å; I439-A441 VanDerWaalsContact C-N 3.34Å; I439-A441 PolarHBondContact O-N 3.16Å; I439-G442 PolarHBondContact O-N 3.32Å; I439-I443 HydrophobicContact CG2-CD1 4.19Å; I439-I443 WeakPolarHBondContact O-CG1 3.46Å; I439-I443 PolarHBondContact O-N 3.46Å; I439-I443 VanDerWaalsContact O-N 3.08Å
440	G	87	Confident	89.7	Confident	8 Å²	8	48.5 Å²	48.5	8%	0.082	25%	0.248	C	C	.	.	H	α-helix	trans	-59.6	-46.1	175.9	0	0	0	0	0	111.4	Y437 G442 I443 L444	Y437-G440 PolarHBondContact O-N 2.92Å; G440-G442 VanDerWaalsContact C-N 3.32Å; G440-G442 PolarHBondContact O-N 3.5Å; G440-I443 PolarHBondContact O-N 3.36Å; G440-L444 WeakPolarHBondContact O-CB 3.42Å; G440-L444 PolarHBondContact O-N 3.49Å
441	A	91.3	Very high	89.4	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.7	-41.6	175.2	0	0	0	0	0	112.3	I429 L432 L433 Y437 F438 I439 L444 C445 F462	I429-A441 HydrophobicContact CG2-CB 4.36Å; L432-A441 HydrophobicContact CB-CB 3.88Å; L432-A441 HydrophobicContact CD1-CB 4.4Å; L433-A441 HydrophobicContact CD2-CB 4.07Å; L433-A441 HydrophobicContact CG-CB 4.24Å; Y437-A441 PolarHBondContact O-N 3.11Å; Y437-A441 VanDerWaalsContact O-N 3.08Å; F438-A441 PolarHBondContact O-N 3.4Å; I439-A441 VanDerWaalsContact C-N 3.34Å; I439-A441 PolarHBondContact O-N 3.16Å; A441-L444 PolarHBondContact O-N 3.01Å; A441-C445 PolarHBondContact O-N 2.93Å; A441-C445 PolarHBondContact O-SG 3.33Å; A441-F462 HydrophobicContact CB-CE1 4.35Å; A441-F462 HydrophobicContact CB-CE2 4.44Å; A441-F462 HydrophobicContact CB-CZ 3.6Å
442	G	89.9	Confident	89.2	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.3	-40.4	177.7	0	0	0	0	0	113.3	F438 I439 G440 C445 Y474	F438-G442 PolarHBondContact O-N 2.93Å; I439-G442 PolarHBondContact O-N 3.32Å; G440-G442 VanDerWaalsContact C-N 3.32Å; G440-G442 PolarHBondContact O-N 3.5Å; G442-C445 WeakPolarHBondContact O-CB 3.47Å; G442-Y474 WeakPolarHBondContact O-CD2 3.48Å
443	I	89.4	Confident	89.2	Confident	40 Å²	40	56.9 Å²	56.9	21%	0.205	29%	0.285	C	S	.	.	H	α-helix	trans	-67	-42.9	175.7	-62.9	161.7	0	0	0	110.6	A4 I439 G440 C445 A446 Q447 Y474	A4-I443 HydrophobicContact CB-CD1 3.99Å; A4-I443 HydrophobicContact CB-CG2 3.72Å; I439-I443 HydrophobicContact CG2-CD1 4.19Å; I439-I443 WeakPolarHBondContact O-CG1 3.46Å; I439-I443 PolarHBondContact O-N 3.46Å; I439-I443 VanDerWaalsContact O-N 3.08Å; G440-I443 PolarHBondContact O-N 3.36Å; I443-C445 VanDerWaalsContact C-N 3.29Å; I443-C445 PolarHBondContact O-N 3.01Å; I443-A446 VanDerWaalsContact O-CB 3.25Å; I443-A446 WeakPolarHBondContact O-CB 3.38Å; I443-A446 PolarHBondContact O-N 3.12Å; I443-Q447 PolarHBondContact O-N 3.15Å; I443-Y474 HydrophobicContact CG1-CE1 4.07Å; I443-Y474 HydrophobicContact CG1-CE2 3.85Å; I443-Y474 VanDerWaalsContact CG1-CZ 3.47Å; I443-Y474 VanDerWaalsContact CG1-OH 3.26Å; I443-Y474 WeakPolarHBondContact CG1-OH 3.41Å
444	L	88.8	Confident	89.2	Confident	10 Å²	10	56.5 Å²	56.5	5%	0.052	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-36.3	-179.5	-165.5	66	0	0	0	111.9	L406 Y428 I429 L432 G440 A441 A446 Q447 V448	L406-L444 HydrophobicContact CD2-CD1 3.65Å; Y428-L444 HydrophobicContact CD1-CD1 4.16Å; Y428-L444 HydrophobicContact CD1-CD2 3.19Å; Y428-L444 HydrophobicContact CD1-CG 4.32Å; Y428-L444 HydrophobicContact CE1-CD1 4.4Å; Y428-L444 HydrophobicContact CE1-CD2 3.81Å; Y428-L444 HydrophobicContact CG-CD2 3.61Å; I429-L444 HydrophobicContact CD1-CG 4.43Å; I429-L444 HydrophobicContact CG1-CB 4.02Å; I429-L444 HydrophobicContact CG1-CD2 3.61Å; I429-L444 HydrophobicContact CG1-CG 3.88Å; L432-L444 HydrophobicContact CD1-CD2 3.86Å; G440-L444 WeakPolarHBondContact O-CB 3.42Å; G440-L444 PolarHBondContact O-N 3.49Å; A441-L444 PolarHBondContact O-N 3.01Å; L444-A446 VanDerWaalsContact C-N 3.27Å; L444-A446 PolarHBondContact O-N 3Å; L444-Q447 PolarHBondContact O-N 3.46Å; L444-Q447 VanDerWaalsContact O-N 3.14Å; L444-V448 HydrophobicContact CD1-CG2 3.94Å; L444-V448 HydrophobicContact CG-CG2 4.11Å; L444-V448 WeakPolarHBondContact O-CG2 3.39Å; L444-V448 PolarHBondContact O-N 3.01Å
445	C	90.9	Very high	89.3	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-52.7	-45.2	170.5	-74	0	0	0	0	111.9	I429 A441 G442 I443 Q447 L449 W455 I471	I429-C445 HydrophobicContact CD1-CB 4.47Å; A441-C445 PolarHBondContact O-N 2.93Å; A441-C445 PolarHBondContact O-SG 3.33Å; G442-C445 WeakPolarHBondContact O-CB 3.47Å; I443-C445 VanDerWaalsContact C-N 3.29Å; I443-C445 PolarHBondContact O-N 3.01Å; C445-Q447 VanDerWaalsContact C-N 3.28Å; C445-Q447 PolarHBondContact O-N 3.45Å; C445-L449 HydrophobicContact CB-CD1 3.61Å; C445-L449 HydrophobicContact CB-CG 4.27Å; C445-L449 WeakPolarHBondContact O-CB 3.36Å; C445-L449 WeakPolarHBondContact O-CG 3.25Å; C445-L449 PolarHBondContact O-N 3.32Å; C445-W455 HydrophobicContact CB-CH2 4.05Å; C445-W455 HydrophobicContact CB-CZ3 4.08Å; C445-W455 WeakPolarHBondContact O-CZ2 3.36Å; C445-I471 HydrophobicContact CB-CD1 4.27Å
446	A	88.1	Confident	89.4	Confident	48 Å²	48	50 Å²	50	40%	0.397	25%	0.245	S	C	.	.	H	α-helix	trans	-63	-34.5	-179.5	0	0	0	0	0	113.1	I443 L444 Y474	I443-A446 VanDerWaalsContact O-CB 3.25Å; I443-A446 WeakPolarHBondContact O-CB 3.38Å; I443-A446 PolarHBondContact O-N 3.12Å; L444-A446 VanDerWaalsContact C-N 3.27Å; L444-A446 PolarHBondContact O-N 3Å; A446-Y474 HydrophobicContact CB-CD1 4.19Å; A446-Y474 HydrophobicContact CB-CG 4.23Å
447	Q	86.8	Confident	89.6	Confident	99 Å²	99	45.8 Å²	45.8	46%	0.463	23%	0.234	S	C	.	.	H	α-helix	trans	-81.3	-37.4	-176.5	-178.2	175.8	-7.2	0	0	112.4	I443 L444 C445	I443-Q447 PolarHBondContact O-N 3.15Å; L444-Q447 PolarHBondContact O-N 3.46Å; L444-Q447 VanDerWaalsContact O-N 3.14Å; C445-Q447 VanDerWaalsContact C-N 3.28Å; C445-Q447 PolarHBondContact O-N 3.45Å
448	V	89.1	Confident	89.8	Confident	7 Å²	7	41.4 Å²	41.4	4%	0.042	22%	0.217	C	C	.	.	H	α-helix	trans	-105.4	-29	-165.4	-172.7	0	0	0	0	113.1	L406 V421 L444 S450	L406-V448 HydrophobicContact CD1-CG2 4.24Å; L406-V448 HydrophobicContact CD2-CG2 3.98Å; V421-V448 HydrophobicContact CG1-CG1 4.29Å; V421-V448 WeakPolarHBondContact O-CG1 3.23Å; L444-V448 HydrophobicContact CD1-CG2 3.94Å; L444-V448 HydrophobicContact CG-CG2 4.11Å; L444-V448 WeakPolarHBondContact O-CG2 3.39Å; L444-V448 PolarHBondContact O-N 3.01Å; V448-S450 PolarHBondContact O-N 3.36Å
449	L	89.6	Confident	89.9	Confident	12 Å²	12	39.8 Å²	39.8	6%	0.063	21%	0.21	C	C	.	.			trans	-81.5	116.7	-174.6	-57.2	178.6	0	0	0	111.6	Q422 I426 I429 C445 A454 W455 Q458	Q422-L449 HydrophobicContact CG-CD2 4.44Å; I426-L449 HydrophobicContact CD1-CD2 4.31Å; I426-L449 HydrophobicContact CG1-CD2 3.9Å; I429-L449 HydrophobicContact CD1-CD2 4.35Å; C445-L449 HydrophobicContact CB-CD1 3.61Å; C445-L449 HydrophobicContact CB-CG 4.27Å; C445-L449 WeakPolarHBondContact O-CB 3.36Å; C445-L449 WeakPolarHBondContact O-CG 3.25Å; C445-L449 PolarHBondContact O-N 3.32Å; L449-A454 HydrophobicContact CD2-CB 3.87Å; L449-W455 HydrophobicContact CB-CD2 4.07Å; L449-W455 HydrophobicContact CB-CG 4.1Å; L449-W455 HydrophobicContact CB-CZ2 4.16Å; L449-W455 VanDerWaalsContact CB-NE1 3.34Å; L449-W455 HydrophobicContact CD1-CD2 3.76Å; L449-W455 HydrophobicContact CD1-CE3 3.92Å; L449-W455 HydrophobicContact CD1-CG 4.12Å; L449-W455 HydrophobicContact CD1-CZ2 4.41Å; L449-W455 HydrophobicContact CD1-CZ3 4.31Å; L449-W455 PolarHBondContact O-NE1 2.98Å; L449-W455 VanDerWaalsContact O-NE1 3.09Å; L449-Q458 HydrophobicContact CD1-CB 4.04Å; L449-Q458 HydrophobicContact CD1-CG 3.93Å; L449-Q458 HydrophobicContact CD2-CG 4.25Å
450	S	86.2	Confident	90.1	Very high	83 Å²	83	39.5 Å²	39.5	58%	0.58	20%	0.201	S	C	*	.			trans	-111	-19.6	-179.2	68.9	0	0	0	0	113.9	Q422 V448 V484	Q422-S450 PolarHBondContact OE1-OG 3.21Å; V448-S450 PolarHBondContact O-N 3.36Å; S450-V484 WeakPolarHBondContact O-CG2 3.04Å
451	T	87.1	Confident	90.4	Very high	51 Å²	51	41.5 Å²	41.5	31%	0.313	21%	0.207	S	C	.	.	S	Bend	trans	-107.8	149.8	-177	59.9	0	0	0	0	112.4	Q422 E453 A454 W455	Q422-T451 PolarHBondContact NE2-OG1 3.4Å; Q422-T451 PolarHBondContact OE1-OG1 2.92Å; T451-E453 PolarHBondContact O-N 3.08Å; T451-A454 PolarHBondContact O-N 2.97Å; T451-A454 WeakPolarHBondContact OG1-CB 3.37Å; T451-A454 PolarHBondContact OG1-N 2.93Å; T451-W455 PolarHBondContact O-N 3.42Å
452	R	88.5	Confident	90.5	Very high	107 Å²	107	41.5 Å²	41.5	40%	0.404	21%	0.207	S	C	.	.	H	α-helix	trans	-58	-48.7	175.7	-178	-175.3	62.7	150.6	3.6	111.8	A454 W455 E456 V484 K485 L486	R452-A454 VanDerWaalsContact C-N 3.28Å; R452-A454 PolarHBondContact O-N 3.15Å; R452-W455 WeakPolarHBondContact O-CB 3.45Å; R452-W455 PolarHBondContact O-N 3.27Å; R452-W455 VanDerWaalsContact O-N 3.15Å; R452-E456 HydrophobicContact CG-CG 4.18Å; R452-E456 WeakPolarHBondContact O-CG 3.39Å; R452-E456 PolarHBondContact O-N 3.43Å; R452-V484 HydrophobicContact CB-CG1 3.66Å; R452-V484 HydrophobicContact CG-CG1 4.33Å; R452-K485 WeakPolarHBondContact CD-O 3.38Å; R452-L486 HydrophobicContact CG-CD2 4.11Å
453	E	90.1	Very high	90.6	Very high	106 Å²	106	42.7 Å²	42.7	50%	0.495	22%	0.216	S	C	.	.	H	α-helix	trans	-58	-43.8	-175.3	-66.4	66.3	-143.8	0	0	110.8	T451 E456 E457	T451-E453 PolarHBondContact O-N 3.08Å; E453-E456 PolarHBondContact O-N 3.3Å; E453-E457 WeakPolarHBondContact O-CB 3.44Å; E453-E457 PolarHBondContact O-N 3.18Å
454	A	91.4	Very high	90.7	Very high	7 Å²	7	47.2 Å²	47.2	6%	0.058	24%	0.241	C	C	.	.	H	α-helix	trans	-66.8	-40.7	178	0	0	0	0	0	113	I426 L449 T451 R452 E457 Q458	I426-A454 HydrophobicContact CD1-CB 4.13Å; L449-A454 HydrophobicContact CD2-CB 3.87Å; T451-A454 PolarHBondContact O-N 2.97Å; T451-A454 WeakPolarHBondContact OG1-CB 3.37Å; T451-A454 PolarHBondContact OG1-N 2.93Å; R452-A454 VanDerWaalsContact C-N 3.28Å; R452-A454 PolarHBondContact O-N 3.15Å; A454-E457 PolarHBondContact O-N 2.98Å; A454-Q458 WeakPolarHBondContact O-CB 3.33Å; A454-Q458 WeakPolarHBondContact O-CG 3.43Å; A454-Q458 PolarHBondContact O-N 3.09Å
455	W	92.2	Very high	90.8	Very high	12 Å²	12	49.9 Å²	49.9	5%	0.045	25%	0.254	C	S	.	.	H	α-helix	trans	-60	-49.4	172.6	-90.2	104.4	0	0	0	111.9	C445 L449 T451 R452 E457 Q458 V459 I471 Y474 L475 P476 L486	C445-W455 HydrophobicContact CB-CH2 4.05Å; C445-W455 HydrophobicContact CB-CZ3 4.08Å; C445-W455 WeakPolarHBondContact O-CZ2 3.36Å; L449-W455 HydrophobicContact CB-CD2 4.07Å; L449-W455 HydrophobicContact CB-CG 4.1Å; L449-W455 HydrophobicContact CB-CZ2 4.16Å; L449-W455 VanDerWaalsContact CB-NE1 3.34Å; L449-W455 HydrophobicContact CD1-CD2 3.76Å; L449-W455 HydrophobicContact CD1-CE3 3.92Å; L449-W455 HydrophobicContact CD1-CG 4.12Å; L449-W455 HydrophobicContact CD1-CZ2 4.41Å; L449-W455 HydrophobicContact CD1-CZ3 4.31Å; L449-W455 PolarHBondContact O-NE1 2.98Å; L449-W455 VanDerWaalsContact O-NE1 3.09Å; T451-W455 PolarHBondContact O-N 3.42Å; R452-W455 WeakPolarHBondContact O-CB 3.45Å; R452-W455 PolarHBondContact O-N 3.27Å; R452-W455 VanDerWaalsContact O-N 3.15Å; W455-E457 VanDerWaalsContact C-N 3.31Å; W455-E457 PolarHBondContact O-N 3.28Å; W455-Q458 PolarHBondContact O-N 3.28Å; W455-V459 VanDerWaalsContact O-CG2 3.28Å; W455-V459 WeakPolarHBondContact O-CG2 3.26Å; W455-V459 PolarHBondContact O-N 3.04Å; W455-I471 HydrophobicContact CE3-CD1 4.38Å; W455-I471 HydrophobicContact CZ3-CD1 4.05Å; W455-I471 HydrophobicContact CZ3-CG1 4.05Å; W455-Y474 WeakPolarHBondContact CH2-O 3.21Å; W455-L475 HydrophobicContact CE3-CD2 4.15Å; W455-L475 HydrophobicContact CZ3-CD2 4.2Å; W455-P476 HydrophobicContact CD2-CG 4.34Å; W455-P476 HydrophobicContact CG-CG 4.49Å; W455-L486 HydrophobicContact CB-CD1 4.45Å; W455-L486 HydrophobicContact CB-CD2 3.44Å; W455-L486 VanDerWaalsContact CB-CD2 3.44Å; W455-L486 HydrophobicContact CG-CD2 4.14Å
456	E	92.3	Very high	90.7	Very high	18 Å²	18	54.7 Å²	54.7	8%	0.084	28%	0.28	C	S	.	.	H	α-helix	trans	-64	-37.9	-178.9	-61.5	-168.7	175.7	0	0	112.2	R452 E453 R460 L486 N487 I490	R452-E456 HydrophobicContact CG-CG 4.18Å; R452-E456 WeakPolarHBondContact O-CG 3.39Å; R452-E456 PolarHBondContact O-N 3.43Å; E453-E456 PolarHBondContact O-N 3.3Å; E456-R460 WeakPolarHBondContact O-CG 3.42Å; E456-R460 PolarHBondContact O-N 3.03Å; E456-R460 VanDerWaalsContact O-N 3.09Å; E456-R460 PolarHBondContact O-NH1 2.89Å; E456-R460 IonicContact OE2-NH2 3.57Å; E456-R460 PolarHBondContact OE2-NH2 2.92Å; E456-L486 HydrophobicContact CG-CD2 4.21Å; E456-N487 VanDerWaalsContact OE1-CB 3.23Å; E456-N487 WeakPolarHBondContact OE1-CB 3.5Å; E456-N487 PolarHBondContact OE1-N 2.86Å; E456-N487 VanDerWaalsContact OE1-N 3.12Å; E456-I490 HydrophobicContact CB-CD1 4.14Å; E456-I490 HydrophobicContact CB-CG1 4.2Å; E456-I490 HydrophobicContact CG-CD1 4.35Å; E456-I490 HydrophobicContact CG-CG1 3.86Å
457	E	93.3	Very high	90.8	Very high	110 Å²	110	55 Å²	55	51%	0.514	27%	0.273	S	S	.	.	H	α-helix	trans	-65.9	-44.8	176.3	-174.8	162	-178.9	0	0	112.1	E453 A454 W455 R460 K461	E453-E457 WeakPolarHBondContact O-CB 3.44Å; E453-E457 PolarHBondContact O-N 3.18Å; A454-E457 PolarHBondContact O-N 2.98Å; W455-E457 VanDerWaalsContact C-N 3.31Å; W455-E457 PolarHBondContact O-N 3.28Å; E457-R460 WeakPolarHBondContact O-CB 3.49Å; E457-R460 PolarHBondContact O-N 3.03Å; E457-K461 PolarHBondContact O-N 3.45Å
458	Q	93.2	Very high	91	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.009	25%	0.251	C	S	.	.	H	α-helix	trans	-65.1	-41.5	176.8	-69.3	-60.3	-20.6	0	0	111.6	D430 L449 A454 W455 R460 K461 F462 I471	D430-Q458 PolarHBondContact OD1-NE2 2.8Å; L449-Q458 HydrophobicContact CD1-CB 4.04Å; L449-Q458 HydrophobicContact CD1-CG 3.93Å; L449-Q458 HydrophobicContact CD2-CG 4.25Å; A454-Q458 WeakPolarHBondContact O-CB 3.33Å; A454-Q458 WeakPolarHBondContact O-CG 3.43Å; A454-Q458 PolarHBondContact O-N 3.09Å; W455-Q458 PolarHBondContact O-N 3.28Å; Q458-R460 VanDerWaalsContact C-N 3.28Å; Q458-R460 PolarHBondContact O-N 3.31Å; Q458-K461 WeakPolarHBondContact O-CA 3.15Å; Q458-K461 WeakPolarHBondContact O-CB 3.14Å; Q458-K461 PolarHBondContact O-N 2.8Å; Q458-F462 WeakPolarHBondContact O-CD2 3.5Å; Q458-F462 PolarHBondContact O-N 3.48Å; Q458-I471 HydrophobicContact CB-CD1 4.47Å
459	V	93.2	Very high	91	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.3	-40.7	173.7	174.1	0	0	0	0	111.7	W455 F462 S463 L468 I471 L475 I490 L493 I494	W455-V459 VanDerWaalsContact O-CG2 3.28Å; W455-V459 WeakPolarHBondContact O-CG2 3.26Å; W455-V459 PolarHBondContact O-N 3.04Å; V459-F462 PolarHBondContact O-N 3.13Å; V459-S463 WeakPolarHBondContact O-CB 3.29Å; V459-S463 PolarHBondContact O-N 3.01Å; V459-L468 HydrophobicContact CG1-CD2 4Å; V459-I471 HydrophobicContact CG2-CD1 3.93Å; V459-L475 HydrophobicContact CG2-CD2 3.64Å; V459-I490 HydrophobicContact CB-CG2 4.12Å; V459-I490 HydrophobicContact CG1-CG2 3.68Å; V459-I490 HydrophobicContact CG2-CG2 4.34Å; V459-L493 HydrophobicContact CG1-CD2 4.5Å; V459-I494 HydrophobicContact CG1-CD1 3.99Å; V459-I494 HydrophobicContact CG1-CG1 4.15Å
460	R	93.6	Very high	90.9	Very high	109 Å²	109	54.1 Å²	54.1	41%	0.411	27%	0.269	S	S	.	.	H	α-helix	trans	-63.5	-39.7	174.3	-70.5	178.7	-161.2	101.7	2.2	111.9	E456 E457 Q458 S463 N464	E456-R460 WeakPolarHBondContact O-CG 3.42Å; E456-R460 PolarHBondContact O-N 3.03Å; E456-R460 VanDerWaalsContact O-N 3.09Å; E456-R460 PolarHBondContact O-NH1 2.89Å; E456-R460 IonicContact OE2-NH2 3.57Å; E456-R460 PolarHBondContact OE2-NH2 2.92Å; E457-R460 WeakPolarHBondContact O-CB 3.49Å; E457-R460 PolarHBondContact O-N 3.03Å; Q458-R460 VanDerWaalsContact C-N 3.28Å; Q458-R460 PolarHBondContact O-N 3.31Å; R460-S463 WeakPolarHBondContact O-CB 3.45Å; R460-S463 PolarHBondContact O-N 3.22Å; R460-N464 VanDerWaalsContact O-CG 3.24Å; R460-N464 PolarHBondContact O-N 3.35Å; R460-N464 PolarHBondContact O-ND2 2.95Å
461	K	93.3	Very high	91.1	Very high	50 Å²	50	50.1 Å²	50.1	22%	0.217	24%	0.242	C	C	.	.	H	α-helix	trans	-61.3	-48.9	174.8	-72	175.2	175	178.7	0	111.6	D430 L433 E457 Q458 S463 N464 I465	D430-K461 IonicContact OD1-NZ 2.8Å; D430-K461 PolarHBondContact OD1-NZ 3.48Å; D430-K461 IonicContact OD2-NZ 3.86Å; D430-K461 PolarHBondContact OD2-NZ 3.26Å; L433-K461 HydrophobicContact CD1-CB 4.17Å; E457-K461 PolarHBondContact O-N 3.45Å; Q458-K461 WeakPolarHBondContact O-CA 3.15Å; Q458-K461 WeakPolarHBondContact O-CB 3.14Å; Q458-K461 PolarHBondContact O-N 2.8Å; K461-S463 VanDerWaalsContact C-N 3.29Å; K461-S463 PolarHBondContact O-N 2.87Å; K461-N464 PolarHBondContact O-N 3.34Å; K461-I465 WeakPolarHBondContact O-CD1 3.4Å; K461-I465 WeakPolarHBondContact O-CG1 3.42Å; K461-I465 PolarHBondContact O-N 3.47Å
462	F	94	Very high	91.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.3	-36.2	175.3	-84.5	-92.4	0	0	0	112.8	L433 F438 A441 Q458 V459 I465 D466 H467 L468 A470 I471	L433-F462 HydrophobicContact CD1-CD2 4.48Å; L433-F462 HydrophobicContact CD1-CE2 4.25Å; L433-F462 HydrophobicContact CD2-CD1 4.18Å; L433-F462 HydrophobicContact CD2-CD2 4.35Å; L433-F462 HydrophobicContact CD2-CE1 3.79Å; L433-F462 HydrophobicContact CD2-CE2 3.97Å; L433-F462 HydrophobicContact CD2-CG 4.47Å; L433-F462 HydrophobicContact CD2-CZ 3.69Å; F438-F462 HydrophobicContact CB-CE1 4.49Å; A441-F462 HydrophobicContact CB-CE1 4.35Å; A441-F462 HydrophobicContact CB-CE2 4.44Å; A441-F462 HydrophobicContact CB-CZ 3.6Å; Q458-F462 WeakPolarHBondContact O-CD2 3.5Å; Q458-F462 PolarHBondContact O-N 3.48Å; V459-F462 PolarHBondContact O-N 3.13Å; F462-I465 PolarHBondContact O-N 3.06Å; F462-D466 PolarHBondContact O-N 2.98Å; F462-H467 WeakPolarHBondContact CD1-O 3.48Å; F462-H467 PolarHBondContact O-N 3.4Å; F462-H467 VanDerWaalsContact O-N 3.14Å; F462-L468 HydrophobicContact CB-CD2 4.11Å; F462-A470 HydrophobicContact CD1-CB 4.35Å; F462-A470 HydrophobicContact CE1-CB 3.92Å; F462-I471 HydrophobicContact CB-CG2 3.98Å; F462-I471 HydrophobicContact CD1-CB 4.2Å; F462-I471 HydrophobicContact CD1-CG2 4.28Å; F462-I471 HydrophobicContact CD2-CB 4.22Å; F462-I471 HydrophobicContact CD2-CD1 3.75Å; F462-I471 HydrophobicContact CD2-CG2 4.4Å; F462-I471 HydrophobicContact CE1-CB 4.36Å; F462-I471 HydrophobicContact CE2-CB 4.4Å; F462-I471 HydrophobicContact CE2-CD1 3.93Å; F462-I471 HydrophobicContact CG-CB 4.1Å; F462-I471 HydrophobicContact CG-CD1 4.39Å; F462-I471 HydrophobicContact CG-CG2 3.98Å; F462-I471 HydrophobicContact CZ-CB 4.44Å
463	S	91.8	Very high	91.2	Very high	25 Å²	25	47.7 Å²	47.7	18%	0.175	24%	0.24	C	C	.	.	H	α-helix	trans	-64.3	-41.4	174	-171	0	0	0	0	112.7	V459 R460 K461 I465 D466	V459-S463 WeakPolarHBondContact O-CB 3.29Å; V459-S463 PolarHBondContact O-N 3.01Å; R460-S463 WeakPolarHBondContact O-CB 3.45Å; R460-S463 PolarHBondContact O-N 3.22Å; K461-S463 VanDerWaalsContact C-N 3.29Å; K461-S463 PolarHBondContact O-N 2.87Å; S463-I465 PolarHBondContact O-N 3.39Å; S463-D466 PolarHBondContact O-N 3.11Å
464	N	91.6	Very high	91.1	Very high	136 Å²	136	46.6 Å²	46.6	73%	0.727	23%	0.232	S	C	*	.	H	α-helix	trans	-68.7	-19.7	179.9	-69.3	-19.2	0	0	0	113	R460 K461	R460-N464 VanDerWaalsContact O-CG 3.24Å; R460-N464 PolarHBondContact O-N 3.35Å; R460-N464 PolarHBondContact O-ND2 2.95Å; K461-N464 PolarHBondContact O-N 3.34Å
465	I	91.2	Very high	90.9	Very high	66 Å²	66	46.7 Å²	46.7	34%	0.338	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	4.1	178.9	-55	162.5	0	0	0	111	L433 F438 K461 F462 S463 H467	L433-I465 HydrophobicContact CB-CD1 4.14Å; L433-I465 HydrophobicContact CD1-CD1 4.28Å; L433-I465 HydrophobicContact CD2-CD1 4.02Å; L433-I465 HydrophobicContact CG-CD1 4.38Å; F438-I465 HydrophobicContact CD1-CG2 4.43Å; F438-I465 HydrophobicContact CE1-CG2 3.58Å; F438-I465 HydrophobicContact CZ-CG2 3.98Å; K461-I465 WeakPolarHBondContact O-CD1 3.4Å; K461-I465 WeakPolarHBondContact O-CG1 3.42Å; K461-I465 PolarHBondContact O-N 3.47Å; F462-I465 PolarHBondContact O-N 3.06Å; S463-I465 PolarHBondContact O-N 3.39Å; I465-H467 PolarHBondContact O-N 2.98Å
466	D	88	Confident	90.5	Very high	101 Å²	101	47 Å²	47	54%	0.54	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	27.7	-177.6	-62.6	-38	0	0	0	114.6	F462 S463 R501	F462-D466 PolarHBondContact O-N 2.98Å; S463-D466 PolarHBondContact O-N 3.11Å; D466-R501 PolarHBondContact O-NH1 2.91Å
467	H	90.4	Very high	89.7	Confident	55 Å²	55	47.5 Å²	47.5	26%	0.255	24%	0.239	S	C	.	.			trans	-123.7	41.7	-179.5	-85.7	-63.7	0	0	0	113.4	F438 F462 I465 E469 A470	F438-H467 HydrophobicContact CB-CB 4.35Å; F438-H467 HydrophobicContact CD1-CB 4.22Å; F438-H467 HydrophobicContact CD2-CB 4.28Å; F438-H467 AromaticContact CD2-CD2 3.44Å; F438-H467 VanDerWaalsContact CD2-CD2 3.44Å; F438-H467 WeakPolarHBondContact CD2-CD2 3.4Å; F438-H467 AromaticContact CD2-CG 3.69Å; F438-H467 AromaticContact CD2-NE2 3.66Å; F438-H467 AromaticContact CE2-CD2 3.17Å; F438-H467 WeakPolarHBondContact CE2-CD2 3.34Å; F438-H467 AromaticContact CE2-CG 3.92Å; F438-H467 AromaticContact CE2-NE2 3.27Å; F438-H467 VanDerWaalsContact CE2-NE2 3.27Å; F438-H467 WeakPolarHBondContact CE2-NE2 3.31Å; F438-H467 HydrophobicContact CG-CB 4.01Å; F438-H467 AromaticContact CG-CD2 3.97Å; F438-H467 AromaticContact CG-CG 3.94Å; F438-H467 AromaticContact CZ-CD2 3.48Å; F438-H467 VanDerWaalsContact CZ-CD2 3.48Å; F438-H467 WeakPolarHBondContact CZ-CD2 3.01Å; F438-H467 AromaticContact CZ-NE2 3.95Å; F462-H467 WeakPolarHBondContact CD1-O 3.48Å; F462-H467 PolarHBondContact O-N 3.4Å; F462-H467 VanDerWaalsContact O-N 3.14Å; I465-H467 PolarHBondContact O-N 2.98Å; H467-E469 IonicContact CE1-OE1 3.24Å; H467-E469 PolarHBondContact CE1-OE1 3.32Å; H467-E469 IonicContact ND1-OE1 3.62Å; H467-E469 PolarHBondContact ND1-OE1 3.34Å; H467-E469 PolarHBondContact O-N 3.04Å; H467-E469 VanDerWaalsContact O-N 3.12Å; H467-A470 PolarHBondContact O-N 3.44Å
468	L	91	Very high	88.4	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-56.4	-27.5	174.5	-76.1	169.3	0	0	0	113.4	V459 F462 A470 I471 V472 L493 I494 D497 Y498	V459-L468 HydrophobicContact CG1-CD2 4Å; F462-L468 HydrophobicContact CB-CD2 4.11Å; L468-A470 PolarHBondContact O-N 3.45Å; L468-A470 VanDerWaalsContact O-N 3.09Å; L468-I471 HydrophobicContact CD2-CG2 4.21Å; L468-I471 WeakPolarHBondContact O-CG2 3.49Å; L468-I471 PolarHBondContact O-N 3.04Å; L468-I471 VanDerWaalsContact O-N 3.1Å; L468-V472 VanDerWaalsContact O-CG2 3.28Å; L468-V472 WeakPolarHBondContact O-CG2 3.48Å; L468-V472 PolarHBondContact O-N 3.08Å; L468-V472 VanDerWaalsContact O-N 3.12Å; L468-L493 HydrophobicContact CD1-CD2 4.42Å; L468-I494 HydrophobicContact CD1-CG1 4.47Å; L468-I494 HydrophobicContact CD2-CG1 4.29Å; L468-D497 HydrophobicContact CD1-CB 3.79Å; L468-Y498 HydrophobicContact CB-CE2 4.48Å
469	E	88.9	Confident	86.5	Confident	89 Å²	89	48.8 Å²	48.8	42%	0.416	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-54.4	-29	178.1	66.5	-169.4	161.5	0	0	114.5	H467 P473 Y498	H467-E469 IonicContact CE1-OE1 3.24Å; H467-E469 PolarHBondContact CE1-OE1 3.32Å; H467-E469 IonicContact ND1-OE1 3.62Å; H467-E469 PolarHBondContact ND1-OE1 3.34Å; H467-E469 PolarHBondContact O-N 3.04Å; H467-E469 VanDerWaalsContact O-N 3.12Å; E469-P473 WeakPolarHBondContact O-CD 3.2Å; E469-Y498 WeakPolarHBondContact CA-OH 3.43Å
470	A	88.7	Confident	84.5	Confident	9 Å²	9	55.7 Å²	55.7	7%	0.074	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-77.2	-29.3	-178.9	0	0	0	0	0	113.3	F438 F462 H467 L468 Y474	F438-A470 HydrophobicContact CB-CB 3.85Å; F438-A470 WeakPolarHBondContact O-CB 3.41Å; F462-A470 HydrophobicContact CD1-CB 4.35Å; F462-A470 HydrophobicContact CE1-CB 3.92Å; H467-A470 PolarHBondContact O-N 3.44Å; L468-A470 PolarHBondContact O-N 3.45Å; L468-A470 VanDerWaalsContact O-N 3.09Å; A470-Y474 WeakPolarHBondContact O-CD2 3.16Å; A470-Y474 WeakPolarHBondContact O-CE2 3.39Å
471	I	90.4	Very high	82.3	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-28.5	-177	-167.6	165.8	0	0	0	112.9	C445 W455 Q458 V459 F462 L468 P473 Y474 L475	C445-I471 HydrophobicContact CB-CD1 4.27Å; W455-I471 HydrophobicContact CE3-CD1 4.38Å; W455-I471 HydrophobicContact CZ3-CD1 4.05Å; W455-I471 HydrophobicContact CZ3-CG1 4.05Å; Q458-I471 HydrophobicContact CB-CD1 4.47Å; V459-I471 HydrophobicContact CG2-CD1 3.93Å; F462-I471 HydrophobicContact CB-CG2 3.98Å; F462-I471 HydrophobicContact CD1-CB 4.2Å; F462-I471 HydrophobicContact CD1-CG2 4.28Å; F462-I471 HydrophobicContact CD2-CB 4.22Å; F462-I471 HydrophobicContact CD2-CD1 3.75Å; F462-I471 HydrophobicContact CD2-CG2 4.4Å; F462-I471 HydrophobicContact CE1-CB 4.36Å; F462-I471 HydrophobicContact CE2-CB 4.4Å; F462-I471 HydrophobicContact CE2-CD1 3.93Å; F462-I471 HydrophobicContact CG-CB 4.1Å; F462-I471 HydrophobicContact CG-CD1 4.39Å; F462-I471 HydrophobicContact CG-CG2 3.98Å; F462-I471 HydrophobicContact CZ-CB 4.44Å; L468-I471 HydrophobicContact CD2-CG2 4.21Å; L468-I471 WeakPolarHBondContact O-CG2 3.49Å; L468-I471 PolarHBondContact O-N 3.04Å; L468-I471 VanDerWaalsContact O-N 3.1Å; I471-P473 VanDerWaalsContact C-CD 3.43Å; I471-Y474 PolarHBondContact O-N 3.27Å; I471-L475 PolarHBondContact O-N 3.37Å
472	V	89.6	Confident	80.3	Confident	13 Å²	13	67.8 Å²	67.8	8%	0.079	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-52.2	-43.2	-175.1	165.9	0	0	0	0	114.6	L468 Y474 L475 I494 Y498 L509 W513	L468-V472 VanDerWaalsContact O-CG2 3.28Å; L468-V472 WeakPolarHBondContact O-CG2 3.48Å; L468-V472 PolarHBondContact O-N 3.08Å; L468-V472 VanDerWaalsContact O-N 3.12Å; V472-Y474 PolarHBondContact O-N 3.07Å; V472-Y474 VanDerWaalsContact O-N 3.1Å; V472-L475 HydrophobicContact CB-CD1 4.39Å; V472-L475 HydrophobicContact CG2-CD1 4.13Å; V472-L475 PolarHBondContact O-N 2.92Å; V472-I494 HydrophobicContact CG2-CG2 3.59Å; V472-Y498 HydrophobicContact CG2-CE2 3.91Å; V472-L509 HydrophobicContact CG1-CD1 3.78Å; V472-L509 HydrophobicContact CG1-CD2 4.34Å; V472-W513 HydrophobicContact CG1-CZ2 4.42Å
473	P	88	Confident	78.9	Confident	94 Å²	94	69.6 Å²	69.6	61%	0.61	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-62.1	-19.5	179.3	-23.9	34.9	0	0	0	114.5	E469 I471	E469-P473 WeakPolarHBondContact O-CD 3.2Å; I471-P473 VanDerWaalsContact C-CD 3.43Å
474	Y	87.6	Confident	78.1	Confident	83 Å²	83	70 Å²	70	33%	0.325	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-108.8	0.5	-172.6	-53.3	-69	0	0	0	113.5	G442 I443 A446 W455 A470 I471 V472	G442-Y474 WeakPolarHBondContact O-CD2 3.48Å; I443-Y474 HydrophobicContact CG1-CE1 4.07Å; I443-Y474 HydrophobicContact CG1-CE2 3.85Å; I443-Y474 VanDerWaalsContact CG1-CZ 3.47Å; I443-Y474 VanDerWaalsContact CG1-OH 3.26Å; I443-Y474 WeakPolarHBondContact CG1-OH 3.41Å; A446-Y474 HydrophobicContact CB-CD1 4.19Å; A446-Y474 HydrophobicContact CB-CG 4.23Å; W455-Y474 WeakPolarHBondContact CH2-O 3.21Å; A470-Y474 WeakPolarHBondContact O-CD2 3.16Å; A470-Y474 WeakPolarHBondContact O-CE2 3.39Å; I471-Y474 PolarHBondContact O-N 3.27Å; V472-Y474 PolarHBondContact O-N 3.07Å; V472-Y474 VanDerWaalsContact O-N 3.1Å
475	L	87	Confident	77.5	Confident	9 Å²	9	70.3 Å²	70.3	5%	0.047	37%	0.374	C	S	.	.	S	Bend	trans	-59.8	146.8	178.7	-75.4	165.8	0	0	0	110.9	W455 V459 I471 V472 V477 L486 I494 W513	W455-L475 HydrophobicContact CE3-CD2 4.15Å; W455-L475 HydrophobicContact CZ3-CD2 4.2Å; V459-L475 HydrophobicContact CG2-CD2 3.64Å; I471-L475 PolarHBondContact O-N 3.37Å; V472-L475 HydrophobicContact CB-CD1 4.39Å; V472-L475 HydrophobicContact CG2-CD1 4.13Å; V472-L475 PolarHBondContact O-N 2.92Å; L475-V477 HydrophobicContact CB-CG2 4.22Å; L475-V477 WeakPolarHBondContact O-CG2 3.41Å; L475-V477 PolarHBondContact O-N 2.86Å; L475-L486 HydrophobicContact CD2-CD1 3.9Å; L475-I494 HydrophobicContact CD1-CD1 3.41Å; L475-I494 VanDerWaalsContact CD1-CD1 3.41Å; L475-W513 HydrophobicContact CD1-CH2 4.03Å; L475-W513 HydrophobicContact CD1-CZ2 4Å
476	P	83.3	Confident	77.2	Confident	19 Å²	19	67.4 Å²	67.4	12%	0.123	36%	0.359	C	S	.	.			trans	-71.1	103.4	172.3	28	-32.1	0	0	0	109.5	W455 V484 L486 Y491	W455-P476 HydrophobicContact CD2-CG 4.34Å; W455-P476 HydrophobicContact CG-CG 4.49Å; P476-V484 WeakPolarHBondContact CB-O 3.38Å; P476-V484 HydrophobicContact CG-CB 4.39Å; P476-V484 VanDerWaalsContact CG-O 3.23Å; P476-V484 WeakPolarHBondContact CG-O 3.42Å; P476-L486 HydrophobicContact CG-CD1 4.05Å; P476-L486 HydrophobicContact CG-CD2 4.18Å; P476-L486 HydrophobicContact CG-CG 3.93Å; P476-Y491 PolarHBondContact O-OH 3.29Å
477	V	76.5	Confident	77.1	Confident	27 Å²	27	66.5 Å²	66.5	16%	0.164	35%	0.354	C	S	.	.			trans	-113.8	-6.5	-179.7	-148.7	0	0	0	0	112.4	L475 W513 L516 V518	L475-V477 HydrophobicContact CB-CG2 4.22Å; L475-V477 WeakPolarHBondContact O-CG2 3.41Å; L475-V477 PolarHBondContact O-N 2.86Å; V477-W513 HydrophobicContact CG1-CG 4.26Å; V477-L516 HydrophobicContact CB-CD1 4.29Å; V477-L516 HydrophobicContact CG1-CD1 3.65Å; V477-V518 HydrophobicContact CG1-CB 4.33Å; V477-V518 HydrophobicContact CG1-CG1 4.4Å; V477-V518 HydrophobicContact CG1-CG2 3.78Å; V477-V518 WeakPolarHBondContact O-CG2 3.37Å
478	S	64.6	Low	76.8	Confident	57 Å²	57	65.1 Å²	65.1	40%	0.399	35%	0.351	S	S	.	.			trans	-83	141.7	-178.8	61.6	0	0	0	0	111.4	E480 S483	S478-E480 PolarHBondContact O-N 3.36Å; S478-S483 PolarHBondContact O-OG 2.79Å; S478-S483 WeakPolarHBondContact OG-CB 3.47Å; S478-S483 PolarHBondContact OG-OG 3.4Å
479	G	53.7	Low	76.6	Confident	83 Å²	83	67.8 Å²	67.8	86%	0.856	37%	0.369	S	S	*	.			trans	-83.9	22.6	170.7	0	0	0	0	0	113.6
480	E	50.7	Low	76.7	Confident	144 Å²	144	63.7 Å²	63.7	67%	0.673	35%	0.35	S	S	*	.			trans	-73	140	177.6	-67.3	-175.8	174.8	0	0	109.4	S478 K482 S483	S478-E480 PolarHBondContact O-N 3.36Å; E480-K482 PolarHBondContact O-N 3.48Å; E480-S483 PolarHBondContact O-N 2.98Å; E480-S483 PolarHBondContact O-OG 3.26Å
481	E	47.6	Very low	76.7	Confident	205 Å²	205	63.3 Å²	63.3	96%	0.958	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-9.4	-172.4	-70.4	-179.3	154.8	0	0	115.3
482	K	51.9	Low	76.7	Confident	208 Å²	208	65 Å²	65	90%	0.904	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-7.3	-179.7	-66.7	-175.6	178.9	179.8	0	114.6	E480	E480-K482 PolarHBondContact O-N 3.48Å
483	S	64.2	Low	76.8	Confident	39 Å²	39	67.6 Å²	67.6	27%	0.273	37%	0.368	S	S	.	.	S	Bend	trans	-84.4	140.3	178.1	52	0	0	0	0	110.9	S478 E480 K485	S478-S483 PolarHBondContact O-OG 2.79Å; S478-S483 WeakPolarHBondContact OG-CB 3.47Å; S478-S483 PolarHBondContact OG-OG 3.4Å; E480-S483 PolarHBondContact O-N 2.98Å; E480-S483 PolarHBondContact O-OG 3.26Å; S483-K485 PolarHBondContact O-N 3.14Å
484	V	74.5	Confident	76.9	Confident	32 Å²	32	63.1 Å²	63.1	19%	0.194	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-69.8	117.5	-180	178.1	0	0	0	0	109.6	S450 R452 P476 L486	S450-V484 WeakPolarHBondContact O-CG2 3.04Å; R452-V484 HydrophobicContact CB-CG1 3.66Å; R452-V484 HydrophobicContact CG-CG1 4.33Å; P476-V484 WeakPolarHBondContact CB-O 3.38Å; P476-V484 HydrophobicContact CG-CB 4.39Å; P476-V484 VanDerWaalsContact CG-O 3.23Å; P476-V484 WeakPolarHBondContact CG-O 3.42Å; V484-L486 HydrophobicContact CG1-CD2 4.04Å
485	K	79.3	Confident	77.1	Confident	143 Å²	143	59.2 Å²	59.2	62%	0.622	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-84.8	117.3	173.3	-166.9	174.5	-178.2	176.8	0	110.6	R452 S483	R452-K485 WeakPolarHBondContact CD-O 3.38Å; S483-K485 PolarHBondContact O-N 3.14Å
486	L	85.1	Confident	77.3	Confident	6 Å²	6	60.6 Å²	60.6	3%	0.031	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-79.6	161.6	176.5	-49.7	178.9	0	0	0	111.3	R452 W455 E456 L475 P476 V484 I490 Y491	R452-L486 HydrophobicContact CG-CD2 4.11Å; W455-L486 HydrophobicContact CB-CD1 4.45Å; W455-L486 HydrophobicContact CB-CD2 3.44Å; W455-L486 VanDerWaalsContact CB-CD2 3.44Å; W455-L486 HydrophobicContact CG-CD2 4.14Å; E456-L486 HydrophobicContact CG-CD2 4.21Å; L475-L486 HydrophobicContact CD2-CD1 3.9Å; P476-L486 HydrophobicContact CG-CD1 4.05Å; P476-L486 HydrophobicContact CG-CD2 4.18Å; P476-L486 HydrophobicContact CG-CG 3.93Å; V484-L486 HydrophobicContact CG1-CD2 4.04Å; L486-I490 HydrophobicContact CD1-CG2 4.34Å; L486-Y491 HydrophobicContact CB-CE2 3.68Å; L486-Y491 HydrophobicContact CD1-CE1 4.44Å
487	N	85.7	Confident	77.7	Confident	82 Å²	82	61.2 Å²	61.2	44%	0.439	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-66.8	142.2	173.4	-163.6	-8.1	0	0	0	111.3	E456 S489 I490	E456-N487 VanDerWaalsContact OE1-CB 3.23Å; E456-N487 WeakPolarHBondContact OE1-CB 3.5Å; E456-N487 PolarHBondContact OE1-N 2.86Å; E456-N487 VanDerWaalsContact OE1-N 3.12Å; N487-S489 PolarHBondContact O-N 3.18Å; N487-S489 VanDerWaalsContact O-N 3.09Å; N487-I490 WeakPolarHBondContact O-CB 3.34Å; N487-I490 PolarHBondContact O-N 3.16Å
488	S	85.2	Confident	78.4	Confident	25 Å²	25	60.9 Å²	60.9	18%	0.175	33%	0.331	C	S	.	.	H	α-helix	trans	-55.2	-33.7	-177.9	-151.1	0	0	0	0	112.1	I490 Y491 E492 D520	S488-I490 PolarHBondContact O-N 3.22Å; S488-Y491 PolarHBondContact O-N 3.13Å; S488-Y491 VanDerWaalsContact O-N 3.17Å; S488-E492 PolarHBondContact O-N 2.96Å; S488-D520 PolarHBondContact OG-N 3.34Å; S488-D520 PolarHBondContact OG-O 3.38Å
489	S	87.1	Confident	79.7	Confident	56 Å²	56	58.1 Å²	58.1	39%	0.392	31%	0.312	S	S	.	.	H	α-helix	trans	-58.7	-28.7	177.5	58.7	0	0	0	0	114.4	N487 L493	N487-S489 PolarHBondContact O-N 3.18Å; N487-S489 VanDerWaalsContact O-N 3.09Å; S489-L493 WeakPolarHBondContact O-CB 3.28Å; S489-L493 PolarHBondContact O-N 3Å
490	I	90.1	Very high	81.3	Confident	4 Å²	4	57.9 Å²	57.9	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-75.3	-42.3	178.9	-64.2	-65.5	0	0	0	110.5	E456 V459 L486 N487 S488 E492 L493 I494	E456-I490 HydrophobicContact CB-CD1 4.14Å; E456-I490 HydrophobicContact CB-CG1 4.2Å; E456-I490 HydrophobicContact CG-CD1 4.35Å; E456-I490 HydrophobicContact CG-CG1 3.86Å; V459-I490 HydrophobicContact CB-CG2 4.12Å; V459-I490 HydrophobicContact CG1-CG2 3.68Å; V459-I490 HydrophobicContact CG2-CG2 4.34Å; L486-I490 HydrophobicContact CD1-CG2 4.34Å; N487-I490 WeakPolarHBondContact O-CB 3.34Å; N487-I490 PolarHBondContact O-N 3.16Å; S488-I490 PolarHBondContact O-N 3.22Å; I490-E492 VanDerWaalsContact C-N 3.34Å; I490-L493 WeakPolarHBondContact O-CB 3.37Å; I490-L493 PolarHBondContact O-N 2.69Å; I490-I494 HydrophobicContact CG2-CD1 4.35Å; I490-I494 WeakPolarHBondContact O-CG1 3.39Å; I490-I494 PolarHBondContact O-N 3.44Å; I490-I494 VanDerWaalsContact O-N 3.11Å
491	Y	89.7	Confident	83.1	Confident	1 Å²	1	56.6 Å²	56.6	0%	0.004	28%	0.28	C	S	.	.	H	α-helix	trans	-65.3	-40.1	173.4	-59.6	-75.1	0	0	0	111.2	P476 L486 S488 L493 I494 L495 W513 V518 V519	P476-Y491 PolarHBondContact O-OH 3.29Å; L486-Y491 HydrophobicContact CB-CE2 3.68Å; L486-Y491 HydrophobicContact CD1-CE1 4.44Å; S488-Y491 PolarHBondContact O-N 3.13Å; S488-Y491 VanDerWaalsContact O-N 3.17Å; Y491-L493 VanDerWaalsContact C-N 3.31Å; Y491-L493 PolarHBondContact O-N 2.94Å; Y491-I494 PolarHBondContact O-N 3.09Å; Y491-L495 WeakPolarHBondContact O-CB 3.41Å; Y491-L495 VanDerWaalsContact O-CG 3.29Å; Y491-L495 WeakPolarHBondContact O-CG 3.43Å; Y491-L495 PolarHBondContact O-N 3.1Å; Y491-W513 HydrophobicContact CD1-CD2 4.37Å; Y491-W513 AromaticContact CD1-CE3 3.88Å; Y491-W513 HydrophobicContact CD1-CE3 3.88Å; Y491-W513 AromaticContact CD1-CH2 3.75Å; Y491-W513 HydrophobicContact CD1-CH2 3.75Å; Y491-W513 HydrophobicContact CD1-CZ2 4.25Å; Y491-W513 AromaticContact CD1-CZ3 3.56Å; Y491-W513 HydrophobicContact CD1-CZ3 3.56Å; Y491-W513 HydrophobicContact CG-CE3 4.33Å; Y491-W513 HydrophobicContact CG-CZ3 4.09Å; Y491-V518 HydrophobicContact CD1-CG1 4.27Å; Y491-V518 HydrophobicContact CD2-CG1 4.14Å; Y491-V518 HydrophobicContact CE1-CG1 3.69Å; Y491-V518 HydrophobicContact CE2-CG1 3.53Å; Y491-V518 HydrophobicContact CG-CG1 4.48Å; Y491-V518 WeakPolarHBondContact OH-CG1 3.19Å; Y491-V519 VanDerWaalsContact CB-CG2 3.48Å; Y491-V519 HydrophobicContact CD1-CG2 4.43Å; Y491-V519 HydrophobicContact CD2-CG2 4.28Å; Y491-V519 HydrophobicContact CG-CG2 3.85Å
492	E	89.6	Confident	85.1	Confident	35 Å²	35	50.1 Å²	50.1	16%	0.164	25%	0.25	C	S	.	.	H	α-helix	trans	-61.4	-38.1	173.6	-72.3	-172.9	156.8	0	0	112.5	S488 I490 L495 T496 S522 F525	S488-E492 PolarHBondContact O-N 2.96Å; I490-E492 VanDerWaalsContact C-N 3.34Å; E492-L495 PolarHBondContact O-N 3.48Å; E492-T496 WeakPolarHBondContact O-CB 3.32Å; E492-T496 PolarHBondContact O-N 2.91Å; E492-T496 PolarHBondContact O-OG1 2.91Å; E492-S522 WeakPolarHBondContact OE1-CB 3.32Å; E492-S522 PolarHBondContact OE1-N 3.47Å; E492-S522 PolarHBondContact OE1-OG 3.42Å; E492-S522 PolarHBondContact OE2-OG 3.48Å; E492-F525 HydrophobicContact CB-CD2 4.36Å; E492-F525 HydrophobicContact CG-CD2 4.43Å
493	L	90.5	Very high	86.9	Confident	67 Å²	67	40.4 Å²	40.4	35%	0.351	21%	0.209	S	C	.	.	H	α-helix	trans	-61.2	-46.7	175.2	176	133.1	0	0	0	111.2	V459 L468 S489 I490 Y491 T496 D497	V459-L493 HydrophobicContact CG1-CD2 4.5Å; L468-L493 HydrophobicContact CD1-CD2 4.42Å; S489-L493 WeakPolarHBondContact O-CB 3.28Å; S489-L493 PolarHBondContact O-N 3Å; I490-L493 WeakPolarHBondContact O-CB 3.37Å; I490-L493 PolarHBondContact O-N 2.69Å; Y491-L493 VanDerWaalsContact C-N 3.31Å; Y491-L493 PolarHBondContact O-N 2.94Å; L493-T496 PolarHBondContact O-N 3.33Å; L493-D497 PolarHBondContact O-N 3.24Å; L493-D497 VanDerWaalsContact O-N 3.08Å
494	I	91.4	Very high	88.1	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.5	-46.8	176.7	-64	160.4	0	0	0	110.9	V459 L468 V472 L475 I490 Y491 T496 D497 Y498 L509 W513	V459-I494 HydrophobicContact CG1-CD1 3.99Å; V459-I494 HydrophobicContact CG1-CG1 4.15Å; L468-I494 HydrophobicContact CD1-CG1 4.47Å; L468-I494 HydrophobicContact CD2-CG1 4.29Å; V472-I494 HydrophobicContact CG2-CG2 3.59Å; L475-I494 HydrophobicContact CD1-CD1 3.41Å; L475-I494 VanDerWaalsContact CD1-CD1 3.41Å; I490-I494 HydrophobicContact CG2-CD1 4.35Å; I490-I494 WeakPolarHBondContact O-CG1 3.39Å; I490-I494 PolarHBondContact O-N 3.44Å; I490-I494 VanDerWaalsContact O-N 3.11Å; Y491-I494 PolarHBondContact O-N 3.09Å; I494-T496 PolarHBondContact O-N 3.18Å; I494-D497 PolarHBondContact O-N 3.43Å; I494-Y498 HydrophobicContact CG2-CD2 3.92Å; I494-Y498 HydrophobicContact CG2-CE2 4.03Å; I494-Y498 WeakPolarHBondContact O-CD2 3.33Å; I494-Y498 PolarHBondContact O-N 2.84Å; I494-L509 HydrophobicContact CG2-CD2 4.16Å; I494-W513 HydrophobicContact CB-CH2 4.15Å; I494-W513 HydrophobicContact CB-CZ3 4.38Å; I494-W513 HydrophobicContact CD1-CH2 4.04Å; I494-W513 HydrophobicContact CG2-CH2 3.85Å; I494-W513 HydrophobicContact CG2-CZ3 4.37Å
495	L	91.6	Very high	88.9	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-36	178.4	-73.1	168.2	0	0	0	111.7	Y491 E492 M499 F506 L509 L510 W513 V519 F525	Y491-L495 WeakPolarHBondContact O-CB 3.41Å; Y491-L495 VanDerWaalsContact O-CG 3.29Å; Y491-L495 WeakPolarHBondContact O-CG 3.43Å; Y491-L495 PolarHBondContact O-N 3.1Å; E492-L495 PolarHBondContact O-N 3.48Å; L495-M499 WeakPolarHBondContact O-CB 3.09Å; L495-M499 PolarHBondContact O-N 3.1Å; L495-F506 HydrophobicContact CB-CD2 4.39Å; L495-F506 HydrophobicContact CB-CE2 4.26Å; L495-F506 HydrophobicContact CD2-CD2 3.98Å; L495-F506 HydrophobicContact CD2-CE2 4.08Å; L495-F506 WeakPolarHBondContact O-CD2 3.29Å; L495-L509 HydrophobicContact CD2-CB 4.48Å; L495-L509 HydrophobicContact CD2-CD2 4.03Å; L495-L509 HydrophobicContact CD2-CG 4.5Å; L495-L510 HydrophobicContact CD1-CD1 3.81Å; L495-L510 HydrophobicContact CD2-CB 4.06Å; L495-L510 HydrophobicContact CD2-CD1 4.15Å; L495-W513 HydrophobicContact CD1-CE3 4.13Å; L495-W513 HydrophobicContact CD1-CZ3 4.38Å; L495-W513 HydrophobicContact CD2-CE3 4.17Å; L495-W513 HydrophobicContact CD2-CZ3 4.3Å; L495-W513 HydrophobicContact CG-CE3 4.04Å; L495-W513 HydrophobicContact CG-CZ3 3.94Å; L495-V519 HydrophobicContact CD1-CG1 4.32Å; L495-F525 HydrophobicContact CB-CE2 3.89Å; L495-F525 HydrophobicContact CB-CZ 3.7Å; L495-F525 HydrophobicContact CD1-CZ 4.46Å
496	T	91.5	Very high	89.6	Confident	39 Å²	39	37.7 Å²	37.7	24%	0.239	19%	0.193	C	C	.	.	H	α-helix	trans	-66.9	-42.4	176.6	-57.2	0	0	0	0	111.5	E492 L493 I494 M499 N500 F525	E492-T496 WeakPolarHBondContact O-CB 3.32Å; E492-T496 PolarHBondContact O-N 2.91Å; E492-T496 PolarHBondContact O-OG1 2.91Å; L493-T496 PolarHBondContact O-N 3.33Å; I494-T496 PolarHBondContact O-N 3.18Å; T496-M499 HydrophobicContact CG2-CE 4.27Å; T496-M499 PolarHBondContact O-N 3.28Å; T496-N500 PolarHBondContact O-N 3.41Å; T496-N500 PolarHBondContact O-ND2 3.18Å; T496-F525 WeakPolarHBondContact OG1-CE2 3.38Å
497	D	90.6	Very high	89.8	Confident	32 Å²	32	37.8 Å²	37.8	17%	0.171	20%	0.195	C	C	.	.	H	α-helix	trans	-62.3	-50.3	175.4	-176.3	59.6	0	0	0	111.4	L468 L493 I494 M499 N500 R501	L468-D497 HydrophobicContact CD1-CB 3.79Å; L493-D497 PolarHBondContact O-N 3.24Å; L493-D497 VanDerWaalsContact O-N 3.08Å; I494-D497 PolarHBondContact O-N 3.43Å; D497-M499 VanDerWaalsContact C-N 3.32Å; D497-M499 PolarHBondContact O-N 2.87Å; D497-N500 PolarHBondContact O-N 3.03Å; D497-R501 PolarHBondContact O-N 3.16Å; D497-R501 VanDerWaalsContact OD1-CD 3.31Å; D497-R501 WeakPolarHBondContact OD1-CD 3.46Å; D497-R501 IonicContact OD2-NH1 3.76Å
498	Y	91.3	Very high	90	Very high	19 Å²	19	39.9 Å²	39.9	8%	0.075	20%	0.202	C	C	.	.	H	α-helix	trans	-61.9	-38.4	178	-88.8	-110.7	0	0	0	112.4	L468 E469 V472 I494 N500 R501 M502 Q505	L468-Y498 HydrophobicContact CB-CE2 4.48Å; E469-Y498 WeakPolarHBondContact CA-OH 3.43Å; V472-Y498 HydrophobicContact CG2-CE2 3.91Å; I494-Y498 HydrophobicContact CG2-CD2 3.92Å; I494-Y498 HydrophobicContact CG2-CE2 4.03Å; I494-Y498 WeakPolarHBondContact O-CD2 3.33Å; I494-Y498 PolarHBondContact O-N 2.84Å; Y498-N500 PolarHBondContact O-N 3.21Å; Y498-R501 PolarHBondContact O-N 3.44Å; Y498-M502 CarbonylContact O-C 3.59Å; Y498-M502 WeakPolarHBondContact O-CA 3.46Å; Y498-M502 PolarHBondContact O-N 3.37Å; Y498-M502 VanDerWaalsContact O-O 3.12Å; Y498-Q505 HydrophobicContact CD1-CB 3.95Å; Y498-Q505 HydrophobicContact CE1-CB 4.16Å
499	M	91.4	Very high	90.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61	-34.3	176.1	177.3	-179.7	65.9	0	0	111.9	L495 T496 D497 F506 T528 L529 R532 L555	L495-M499 WeakPolarHBondContact O-CB 3.09Å; L495-M499 PolarHBondContact O-N 3.1Å; T496-M499 HydrophobicContact CG2-CE 4.27Å; T496-M499 PolarHBondContact O-N 3.28Å; D497-M499 VanDerWaalsContact C-N 3.32Å; D497-M499 PolarHBondContact O-N 2.87Å; M499-F506 HydrophobicContact CB-CB 4.49Å; M499-F506 HydrophobicContact CB-CD1 4.25Å; M499-F506 HydrophobicContact CB-CD2 3.92Å; M499-F506 HydrophobicContact CB-CE2 4.23Å; M499-F506 HydrophobicContact CB-CG 3.94Å; M499-F506 HydrophobicContact CB-CZ 4.5Å; M499-F506 HydrophobicContact CG-CD1 4.38Å; M499-F506 HydrophobicContact CG-CE1 4.36Å; M499-T528 HydrophobicContact CE-CG2 3.7Å; M499-L529 HydrophobicContact CG-CD1 4.17Å; M499-L529 HydrophobicContact SD-CB 3.91Å; M499-L529 HydrophobicContact SD-CD1 3.41Å; M499-L529 WeakPolarHBondContact SD-CD1 3.27Å; M499-L529 HydrophobicContact SD-CG 4.26Å; M499-R532 HydrophobicContact CG-CG 4.49Å; M499-R532 HydrophobicContact SD-CB 4.48Å; M499-L555 HydrophobicContact CG-CD2 3.77Å
500	N	88.1	Confident	90.4	Very high	78 Å²	78	37 Å²	37	42%	0.417	18%	0.181	S	C	.	.	H	α-helix	trans	-82.1	-40.5	-179.4	-69.7	-36.5	0	0	0	112.6	T496 D497 Y498	T496-N500 PolarHBondContact O-N 3.41Å; T496-N500 PolarHBondContact O-ND2 3.18Å; D497-N500 PolarHBondContact O-N 3.03Å; Y498-N500 PolarHBondContact O-N 3.21Å
501	R	88.2	Confident	90.3	Very high	116 Å²	116	38.3 Å²	38.3	44%	0.438	19%	0.189	S	C	.	.	H	α-helix	trans	-92.9	-39.3	-174	-64.7	178.6	65	-172.2	3.5	114	D466 D497 Y498	D466-R501 PolarHBondContact O-NH1 2.91Å; D497-R501 PolarHBondContact O-N 3.16Å; D497-R501 VanDerWaalsContact OD1-CD 3.31Å; D497-R501 WeakPolarHBondContact OD1-CD 3.46Å; D497-R501 IonicContact OD2-NH1 3.76Å; Y498-R501 PolarHBondContact O-N 3.44Å
502	M	90.4	Very high	90.2	Very high	69 Å²	69	43.5 Å²	43.5	34%	0.34	21%	0.213	S	C	.	.			trans	-142.1	72.3	-169.1	-54.7	-171.7	90.7	0	0	112	Y498 I504 Q505 F506	Y498-M502 CarbonylContact O-C 3.59Å; Y498-M502 WeakPolarHBondContact O-CA 3.46Å; Y498-M502 PolarHBondContact O-N 3.37Å; Y498-M502 VanDerWaalsContact O-O 3.12Å; M502-I504 PolarHBondContact O-N 3.49Å; M502-I504 VanDerWaalsContact O-N 3.09Å; M502-Q505 HydrophobicContact CB-CB 4.16Å; M502-Q505 HydrophobicContact CB-CG 4.43Å; M502-Q505 PolarHBondContact O-N 2.79Å; M502-Q505 VanDerWaalsContact O-N 3.07Å; M502-Q505 PolarHBondContact SD-OE1 3.42Å; M502-F506 PolarHBondContact O-N 3.4Å
503	P	89.4	Confident	90.1	Very high	5 Å²	5	42 Å²	42	3%	0.032	21%	0.206	C	C	.	.	H	α-helix	trans	-57.1	-32.5	-171.4	-27.6	36.4	0	0	0	115	F506 A507 E551 A554 L555	P503-F506 WeakPolarHBondContact O-CB 3.12Å; P503-A507 PolarHBondContact O-N 3Å; P503-E551 HydrophobicContact CB-CB 4.1Å; P503-E551 HydrophobicContact CG-CB 4.08Å; P503-E551 HydrophobicContact CG-CG 4.39Å; P503-A554 HydrophobicContact CB-CB 4.41Å; P503-A554 WeakPolarHBondContact O-CB 3.09Å; P503-L555 HydrophobicContact CB-CD2 4Å; P503-L555 HydrophobicContact CB-CG 4.19Å
504	I	89.5	Confident	89.9	Confident	78 Å²	78	39.3 Å²	39.3	40%	0.4	19%	0.192	S	C	.	.	H	α-helix	trans	-68.2	-46.6	179.1	-60.8	172.2	0	0	0	110.8	M502 F506 A507 Q508 E551 A554	M502-I504 PolarHBondContact O-N 3.49Å; M502-I504 VanDerWaalsContact O-N 3.09Å; I504-F506 VanDerWaalsContact C-N 3.34Å; I504-A507 PolarHBondContact O-N 3.35Å; I504-Q508 PolarHBondContact O-N 2.94Å; I504-E551 HydrophobicContact CD1-CG 4.38Å; I504-E551 HydrophobicContact CG1-CG 4.41Å; I504-A554 HydrophobicContact CG1-CB 4.22Å
505	Q	90.1	Very high	89.4	Confident	78 Å²	78	45.3 Å²	45.3	36%	0.364	22%	0.218	S	C	.	.	H	α-helix	trans	-69.9	-35.7	178.5	-66.3	-178.7	5.6	0	0	111	Y498 M502 A507 Q508 L509	Y498-Q505 HydrophobicContact CD1-CB 3.95Å; Y498-Q505 HydrophobicContact CE1-CB 4.16Å; M502-Q505 HydrophobicContact CB-CB 4.16Å; M502-Q505 HydrophobicContact CB-CG 4.43Å; M502-Q505 PolarHBondContact O-N 2.79Å; M502-Q505 VanDerWaalsContact O-N 3.07Å; M502-Q505 PolarHBondContact SD-OE1 3.42Å; Q505-A507 VanDerWaalsContact C-N 3.35Å; Q505-A507 PolarHBondContact O-N 3.39Å; Q505-Q508 PolarHBondContact O-N 2.73Å; Q505-L509 WeakPolarHBondContact O-CB 3.49Å; Q505-L509 PolarHBondContact O-N 3.05Å
506	F	94.2	Very high	88.9	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-51.8	-51.4	170.4	158	-108.3	0	0	0	112	L495 M499 M502 P503 I504 Q508 L509 L510 F525 L529 L555	L495-F506 HydrophobicContact CB-CD2 4.39Å; L495-F506 HydrophobicContact CB-CE2 4.26Å; L495-F506 HydrophobicContact CD2-CD2 3.98Å; L495-F506 HydrophobicContact CD2-CE2 4.08Å; L495-F506 WeakPolarHBondContact O-CD2 3.29Å; M499-F506 HydrophobicContact CB-CB 4.49Å; M499-F506 HydrophobicContact CB-CD1 4.25Å; M499-F506 HydrophobicContact CB-CD2 3.92Å; M499-F506 HydrophobicContact CB-CE2 4.23Å; M499-F506 HydrophobicContact CB-CG 3.94Å; M499-F506 HydrophobicContact CB-CZ 4.5Å; M499-F506 HydrophobicContact CG-CD1 4.38Å; M499-F506 HydrophobicContact CG-CE1 4.36Å; M502-F506 PolarHBondContact O-N 3.4Å; P503-F506 WeakPolarHBondContact O-CB 3.12Å; I504-F506 VanDerWaalsContact C-N 3.34Å; F506-Q508 VanDerWaalsContact C-N 3.3Å; F506-Q508 PolarHBondContact O-N 3.22Å; F506-L509 PolarHBondContact O-N 3.36Å; F506-L510 HydrophobicContact CE2-CB 4.24Å; F506-L510 HydrophobicContact CE2-CD2 4.15Å; F506-L510 HydrophobicContact CZ-CD2 3.82Å; F506-L510 VanDerWaalsContact O-CB 3.27Å; F506-L510 WeakPolarHBondContact O-CB 3.38Å; F506-L510 PolarHBondContact O-N 3.2Å; F506-F525 HydrophobicContact CE2-CE1 4.29Å; F506-F525 AromaticContact CE2-CZ 3.81Å; F506-F525 HydrophobicContact CE2-CZ 3.81Å; F506-F525 HydrophobicContact CZ-CE1 4.43Å; F506-F525 HydrophobicContact CZ-CZ 4.25Å; F506-L529 HydrophobicContact CE1-CD1 4.08Å; F506-L529 HydrophobicContact CZ-CD1 4.31Å; F506-L555 HydrophobicContact CD1-CD2 4.24Å; F506-L555 HydrophobicContact CE1-CD2 4.34Å
507	A	89.1	Confident	88.2	Confident	9 Å²	9	50.2 Å²	50.2	7%	0.074	26%	0.256	C	S	.	.	H	α-helix	trans	-62.9	-38	-178.5	0	0	0	0	0	112	P503 I504 Q505 T511 A554	P503-A507 PolarHBondContact O-N 3Å; I504-A507 PolarHBondContact O-N 3.35Å; Q505-A507 VanDerWaalsContact C-N 3.35Å; Q505-A507 PolarHBondContact O-N 3.39Å; A507-T511 WeakPolarHBondContact O-CB 3.36Å; A507-T511 PolarHBondContact O-N 2.99Å; A507-T511 PolarHBondContact O-OG1 3.27Å; A507-A554 HydrophobicContact CB-CB 4.15Å
508	Q	90.5	Very high	87.6	Confident	126 Å²	126	49.4 Å²	49.4	59%	0.589	25%	0.252	S	S	*	.	H	α-helix	trans	-65.2	-50.2	176	-69	174.5	-15.5	0	0	111.6	I504 Q505 F506 L510 T511 E512	I504-Q508 PolarHBondContact O-N 2.94Å; Q505-Q508 PolarHBondContact O-N 2.73Å; F506-Q508 VanDerWaalsContact C-N 3.3Å; F506-Q508 PolarHBondContact O-N 3.22Å; Q508-L510 PolarHBondContact O-N 3.21Å; Q508-T511 WeakPolarHBondContact O-CB 3.4Å; Q508-T511 PolarHBondContact O-N 3.31Å; Q508-E512 PolarHBondContact O-N 3.23Å
509	L	89.6	Confident	87.1	Confident	21 Å²	21	48.9 Å²	48.9	11%	0.11	25%	0.251	C	S	.	.	H	α-helix	trans	-61.2	-45.6	-179.8	-162.5	80.6	0	0	0	111.2	V472 I494 L495 Q505 F506 T511 E512 W513	V472-L509 HydrophobicContact CG1-CD1 3.78Å; V472-L509 HydrophobicContact CG1-CD2 4.34Å; I494-L509 HydrophobicContact CG2-CD2 4.16Å; L495-L509 HydrophobicContact CD2-CB 4.48Å; L495-L509 HydrophobicContact CD2-CD2 4.03Å; L495-L509 HydrophobicContact CD2-CG 4.5Å; Q505-L509 WeakPolarHBondContact O-CB 3.49Å; Q505-L509 PolarHBondContact O-N 3.05Å; F506-L509 PolarHBondContact O-N 3.36Å; L509-T511 VanDerWaalsContact C-N 3.32Å; L509-T511 PolarHBondContact O-N 2.89Å; L509-E512 PolarHBondContact O-N 3.27Å; L509-W513 HydrophobicContact CD1-CZ2 3.95Å; L509-W513 HydrophobicContact CD2-CD2 4.39Å; L509-W513 HydrophobicContact CD2-CE3 4.31Å; L509-W513 HydrophobicContact CD2-CH2 3.68Å; L509-W513 HydrophobicContact CD2-CZ2 3.74Å; L509-W513 HydrophobicContact CD2-CZ3 3.95Å; L509-W513 HydrophobicContact CG-CD2 4.06Å; L509-W513 HydrophobicContact CG-CE3 4.41Å; L509-W513 HydrophobicContact CG-CH2 4.28Å; L509-W513 HydrophobicContact CG-CZ2 3.89Å; L509-W513 WeakPolarHBondContact O-CB 3.03Å; L509-W513 PolarHBondContact O-N 2.7Å
510	L	91	Very high	86.6	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.2	-44.5	176.4	-176.5	69.9	0	0	0	111.2	L495 F506 Q508 E512 C514 I521 I561 I562	L495-L510 HydrophobicContact CD1-CD1 3.81Å; L495-L510 HydrophobicContact CD2-CB 4.06Å; L495-L510 HydrophobicContact CD2-CD1 4.15Å; F506-L510 HydrophobicContact CE2-CB 4.24Å; F506-L510 HydrophobicContact CE2-CD2 4.15Å; F506-L510 HydrophobicContact CZ-CD2 3.82Å; F506-L510 VanDerWaalsContact O-CB 3.27Å; F506-L510 WeakPolarHBondContact O-CB 3.38Å; F506-L510 PolarHBondContact O-N 3.2Å; Q508-L510 PolarHBondContact O-N 3.21Å; L510-E512 VanDerWaalsContact C-N 3.32Å; L510-E512 PolarHBondContact O-N 3.45Å; L510-C514 WeakPolarHBondContact O-CB 3.23Å; L510-C514 PolarHBondContact O-N 3.29Å; L510-C514 PolarHBondContact O-SG 2.94Å; L510-I521 HydrophobicContact CD1-CD1 4.44Å; L510-I561 HydrophobicContact CD2-CB 4.12Å; L510-I561 HydrophobicContact CD2-CD1 4.44Å; L510-I561 HydrophobicContact CD2-CG2 4.07Å; L510-I561 HydrophobicContact CG-CG2 4.06Å; L510-I562 HydrophobicContact CD2-CG1 4.04Å
511	T	88.9	Confident	86.3	Confident	31 Å²	31	52.7 Å²	52.7	19%	0.19	27%	0.27	C	S	.	.	H	α-helix	trans	-59	-45.5	177.9	-58	0	0	0	0	111.3	A507 Q508 L509 K515 I561	A507-T511 WeakPolarHBondContact O-CB 3.36Å; A507-T511 PolarHBondContact O-N 2.99Å; A507-T511 PolarHBondContact O-OG1 3.27Å; Q508-T511 WeakPolarHBondContact O-CB 3.4Å; Q508-T511 PolarHBondContact O-N 3.31Å; L509-T511 VanDerWaalsContact C-N 3.32Å; L509-T511 PolarHBondContact O-N 2.89Å; T511-K515 HydrophobicContact CG2-CD 4.12Å; T511-K515 VanDerWaalsContact CG2-CE 3.49Å; T511-K515 VanDerWaalsContact CG2-NZ 3.29Å; T511-K515 WeakPolarHBondContact O-CB 3.23Å; T511-K515 WeakPolarHBondContact O-CD 3.2Å; T511-K515 VanDerWaalsContact O-CG 3.24Å; T511-K515 WeakPolarHBondContact O-CG 3.28Å; T511-K515 PolarHBondContact O-N 3.49Å; T511-K515 VanDerWaalsContact O-N 3.16Å; T511-I561 WeakPolarHBondContact OG1-CD1 3.28Å
512	E	88	Confident	86	Confident	110 Å²	110	48.9 Å²	48.9	51%	0.514	26%	0.262	S	S	.	.	H	α-helix	trans	-65.5	-50.5	-179.2	-173.9	176.4	176.5	0	0	111.6	Q508 L509 L510 C514 K515 L516	Q508-E512 PolarHBondContact O-N 3.23Å; L509-E512 PolarHBondContact O-N 3.27Å; L510-E512 VanDerWaalsContact C-N 3.32Å; L510-E512 PolarHBondContact O-N 3.45Å; E512-C514 VanDerWaalsContact C-N 3.35Å; E512-C514 PolarHBondContact O-N 3.18Å; E512-K515 WeakPolarHBondContact O-CB 3.47Å; E512-K515 PolarHBondContact O-N 3.08Å; E512-K515 VanDerWaalsContact O-N 3.15Å; E512-L516 HydrophobicContact CG-CD1 4.18Å; E512-L516 WeakPolarHBondContact O-CG 3.42Å; E512-L516 PolarHBondContact O-N 2.88Å; E512-L516 VanDerWaalsContact O-N 3.08Å
513	W	87.7	Confident	85.7	Confident	4 Å²	4	53 Å²	53	2%	0.015	28%	0.28	C	S	.	.	H	α-helix	trans	-68.2	-33.7	-176.7	-69.1	3.9	0	0	0	113	V472 L475 V477 Y491 I494 L495 L509 L516 G517 V518 V519	V472-W513 HydrophobicContact CG1-CZ2 4.42Å; L475-W513 HydrophobicContact CD1-CH2 4.03Å; L475-W513 HydrophobicContact CD1-CZ2 4Å; V477-W513 HydrophobicContact CG1-CG 4.26Å; Y491-W513 HydrophobicContact CD1-CD2 4.37Å; Y491-W513 AromaticContact CD1-CE3 3.88Å; Y491-W513 HydrophobicContact CD1-CE3 3.88Å; Y491-W513 AromaticContact CD1-CH2 3.75Å; Y491-W513 HydrophobicContact CD1-CH2 3.75Å; Y491-W513 HydrophobicContact CD1-CZ2 4.25Å; Y491-W513 AromaticContact CD1-CZ3 3.56Å; Y491-W513 HydrophobicContact CD1-CZ3 3.56Å; Y491-W513 HydrophobicContact CG-CE3 4.33Å; Y491-W513 HydrophobicContact CG-CZ3 4.09Å; I494-W513 HydrophobicContact CB-CH2 4.15Å; I494-W513 HydrophobicContact CB-CZ3 4.38Å; I494-W513 HydrophobicContact CD1-CH2 4.04Å; I494-W513 HydrophobicContact CG2-CH2 3.85Å; I494-W513 HydrophobicContact CG2-CZ3 4.37Å; L495-W513 HydrophobicContact CD1-CE3 4.13Å; L495-W513 HydrophobicContact CD1-CZ3 4.38Å; L495-W513 HydrophobicContact CD2-CE3 4.17Å; L495-W513 HydrophobicContact CD2-CZ3 4.3Å; L495-W513 HydrophobicContact CG-CE3 4.04Å; L495-W513 HydrophobicContact CG-CZ3 3.94Å; L509-W513 HydrophobicContact CD1-CZ2 3.95Å; L509-W513 HydrophobicContact CD2-CD2 4.39Å; L509-W513 HydrophobicContact CD2-CE3 4.31Å; L509-W513 HydrophobicContact CD2-CH2 3.68Å; L509-W513 HydrophobicContact CD2-CZ2 3.74Å; L509-W513 HydrophobicContact CD2-CZ3 3.95Å; L509-W513 HydrophobicContact CG-CD2 4.06Å; L509-W513 HydrophobicContact CG-CE3 4.41Å; L509-W513 HydrophobicContact CG-CH2 4.28Å; L509-W513 HydrophobicContact CG-CZ2 3.89Å; L509-W513 WeakPolarHBondContact O-CB 3.03Å; L509-W513 PolarHBondContact O-N 2.7Å; W513-L516 PolarHBondContact O-N 2.98Å; W513-G517 PolarHBondContact O-N 2.83Å; W513-G517 VanDerWaalsContact O-N 3.11Å; W513-V518 PolarHBondContact O-N 2.59Å; W513-V519 HydrophobicContact CB-CG2 4Å; W513-V519 HydrophobicContact CD2-CG2 4.45Å; W513-V519 HydrophobicContact CE3-CG2 3.83Å
514	C	84.8	Confident	85.6	Confident	10 Å²	10	57.7 Å²	57.7	7%	0.068	31%	0.305	C	S	.	.	H	α-helix	trans	-67.1	-37.9	172.4	-70.5	0	0	0	0	112.1	L510 E512 L516 G517 I561 Q565	L510-C514 WeakPolarHBondContact O-CB 3.23Å; L510-C514 PolarHBondContact O-N 3.29Å; L510-C514 PolarHBondContact O-SG 2.94Å; E512-C514 VanDerWaalsContact C-N 3.35Å; E512-C514 PolarHBondContact O-N 3.18Å; C514-L516 VanDerWaalsContact C-N 3.3Å; C514-L516 PolarHBondContact O-N 3.15Å; C514-G517 PolarHBondContact O-N 3.28Å; C514-I561 HydrophobicContact CB-CG2 4.18Å; C514-Q565 HydrophobicContact CB-CG 4.18Å
515	K	82.4	Confident	85.6	Confident	125 Å²	125	54.3 Å²	54.3	54%	0.543	29%	0.287	S	S	.	.	H	α-helix	trans	-65.4	-34.7	175.5	-77.1	169.4	-176.9	169.7	0	111.9	T511 E512	T511-K515 HydrophobicContact CG2-CD 4.12Å; T511-K515 VanDerWaalsContact CG2-CE 3.49Å; T511-K515 VanDerWaalsContact CG2-NZ 3.29Å; T511-K515 WeakPolarHBondContact O-CB 3.23Å; T511-K515 WeakPolarHBondContact O-CD 3.2Å; T511-K515 VanDerWaalsContact O-CG 3.24Å; T511-K515 WeakPolarHBondContact O-CG 3.28Å; T511-K515 PolarHBondContact O-N 3.49Å; T511-K515 VanDerWaalsContact O-N 3.16Å; E512-K515 WeakPolarHBondContact O-CB 3.47Å; E512-K515 PolarHBondContact O-N 3.08Å; E512-K515 VanDerWaalsContact O-N 3.15Å
516	L	80	Confident	85.5	Confident	90 Å²	90	51.4 Å²	51.4	47%	0.471	27%	0.274	S	S	.	.	H	α-helix	trans	-82	-10.8	178.5	-65.9	171.5	0	0	0	113.5	V477 E512 W513 C514 V518	V477-L516 HydrophobicContact CB-CD1 4.29Å; V477-L516 HydrophobicContact CG1-CD1 3.65Å; E512-L516 HydrophobicContact CG-CD1 4.18Å; E512-L516 WeakPolarHBondContact O-CG 3.42Å; E512-L516 PolarHBondContact O-N 2.88Å; E512-L516 VanDerWaalsContact O-N 3.08Å; W513-L516 PolarHBondContact O-N 2.98Å; C514-L516 VanDerWaalsContact C-N 3.3Å; C514-L516 PolarHBondContact O-N 3.15Å; L516-V518 VanDerWaalsContact C-N 3.31Å; L516-V518 HydrophobicContact CB-CG2 3.8Å; L516-V518 PolarHBondContact O-N 2.77Å
517	G	77.1	Confident	85.2	Confident	54 Å²	54	58.9 Å²	58.9	56%	0.557	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	27.6	178.9	0	0	0	0	0	113.9	W513 C514	W513-G517 PolarHBondContact O-N 2.83Å; W513-G517 VanDerWaalsContact O-N 3.11Å; C514-G517 PolarHBondContact O-N 3.28Å
518	V	77.6	Confident	85.2	Confident	15 Å²	15	61.3 Å²	61.3	9%	0.091	32%	0.317	C	S	.	.			trans	-85.4	-31.2	-176	-179.1	0	0	0	0	111.9	V477 Y491 W513 L516	V477-V518 HydrophobicContact CG1-CB 4.33Å; V477-V518 HydrophobicContact CG1-CG1 4.4Å; V477-V518 HydrophobicContact CG1-CG2 3.78Å; V477-V518 WeakPolarHBondContact O-CG2 3.37Å; Y491-V518 HydrophobicContact CD1-CG1 4.27Å; Y491-V518 HydrophobicContact CD2-CG1 4.14Å; Y491-V518 HydrophobicContact CE1-CG1 3.69Å; Y491-V518 HydrophobicContact CE2-CG1 3.53Å; Y491-V518 HydrophobicContact CG-CG1 4.48Å; Y491-V518 WeakPolarHBondContact OH-CG1 3.19Å; W513-V518 PolarHBondContact O-N 2.59Å; L516-V518 VanDerWaalsContact C-N 3.31Å; L516-V518 HydrophobicContact CB-CG2 3.8Å; L516-V518 PolarHBondContact O-N 2.77Å
519	V	80.5	Confident	85.2	Confident	8 Å²	8	55.3 Å²	55.3	5%	0.048	29%	0.289	C	S	.	.			trans	-109.1	122	-175.3	-178	0	0	0	0	110.4	Y491 L495 W513 I521	Y491-V519 VanDerWaalsContact CB-CG2 3.48Å; Y491-V519 HydrophobicContact CD1-CG2 4.43Å; Y491-V519 HydrophobicContact CD2-CG2 4.28Å; Y491-V519 HydrophobicContact CG-CG2 3.85Å; L495-V519 HydrophobicContact CD1-CG1 4.32Å; W513-V519 HydrophobicContact CB-CG2 4Å; W513-V519 HydrophobicContact CD2-CG2 4.45Å; W513-V519 HydrophobicContact CE3-CG2 3.83Å; V519-I521 HydrophobicContact CG1-CG1 4.07Å
520	D	81.6	Confident	85.2	Confident	134 Å²	134	56.1 Å²	56.1	72%	0.717	29%	0.293	S	S	*	.			trans	-89.7	108.1	161.2	-89.5	-34.8	0	0	0	107.8	S488 S522	S488-D520 PolarHBondContact OG-N 3.34Å; S488-D520 PolarHBondContact OG-O 3.38Å; D520-S522 PolarHBondContact O-N 3.25Å
521	I	80.5	Confident	85	Confident	23 Å²	23	60 Å²	60	12%	0.118	31%	0.313	C	S	.	.			trans	-74.8	120.9	-176.5	-60.1	158.3	0	0	0	109.5	L510 V519 F525 I562 Q565	L510-I521 HydrophobicContact CD1-CD1 4.44Å; V519-I521 HydrophobicContact CG1-CG1 4.07Å; I521-F525 HydrophobicContact CG2-CB 4.26Å; I521-F525 HydrophobicContact CG2-CD1 3.82Å; I521-F525 HydrophobicContact CG2-CG 4.47Å; I521-I562 HydrophobicContact CD1-CB 4.42Å; I521-I562 HydrophobicContact CD1-CG1 4.04Å; I521-I562 HydrophobicContact CD1-CG2 4.45Å; I521-I562 HydrophobicContact CG2-CD1 4.47Å; I521-I562 HydrophobicContact CG2-CG1 4.31Å; I521-I562 HydrophobicContact CG2-CG2 3.79Å; I521-Q565 HydrophobicContact CD1-CB 3.89Å; I521-Q565 HydrophobicContact CD1-CG 3.94Å
522	S	82.9	Confident	84.9	Confident	36 Å²	36	60.5 Å²	60.5	25%	0.252	31%	0.312	S	S	.	.			trans	-78	154.5	175	69.3	0	0	0	0	112.9	E492 D520 N524 F525 L526	E492-S522 WeakPolarHBondContact OE1-CB 3.32Å; E492-S522 PolarHBondContact OE1-N 3.47Å; E492-S522 PolarHBondContact OE1-OG 3.42Å; E492-S522 PolarHBondContact OE2-OG 3.48Å; D520-S522 PolarHBondContact O-N 3.25Å; S522-N524 PolarHBondContact O-N 3.32Å; S522-F525 PolarHBondContact O-N 3.11Å; S522-F525 VanDerWaalsContact O-N 3.1Å; S522-F525 PolarHBondContact OG-N 3.06Å; S522-L526 PolarHBondContact O-N 3.41Å
523	E	84.6	Confident	84.8	Confident	155 Å²	155	55.3 Å²	55.3	72%	0.724	29%	0.287	S	S	*	.	H	α-helix	trans	-61.8	-27	173.4	-160.3	174.3	-162.4	0	0	112.1	R527 M566	E523-R527 PolarHBondContact O-N 3.21Å; E523-R527 VanDerWaalsContact O-N 3.13Å; E523-M566 HydrophobicContact CB-CE 4.4Å; E523-M566 HydrophobicContact CG-CE 4.29Å
524	N	86.8	Confident	84.6	Confident	105 Å²	105	60 Å²	60	56%	0.561	31%	0.31	S	S	*	.	H	α-helix	trans	-67.1	-42.4	173.6	-74.3	-30.2	0	0	0	111.9	S522 L526 R527 T528	S522-N524 PolarHBondContact O-N 3.32Å; N524-L526 VanDerWaalsContact C-N 3.33Å; N524-L526 PolarHBondContact O-N 3.02Å; N524-R527 WeakPolarHBondContact O-CB 3.39Å; N524-R527 PolarHBondContact O-N 3.39Å; N524-R527 VanDerWaalsContact O-N 3.15Å; N524-T528 PolarHBondContact O-N 3.26Å; N524-T528 PolarHBondContact O-OG1 3.29Å; N524-T528 VanDerWaalsContact O-OG1 3.05Å
525	F	88.5	Confident	84.4	Confident	6 Å²	6	66.2 Å²	66.2	3%	0.026	34%	0.338	C	S	.	.	H	α-helix	trans	-62.5	-41.9	177.2	-174.6	-101.3	0	0	0	111.5	E492 L495 T496 F506 I521 S522 R527 T528 L529 I562	E492-F525 HydrophobicContact CB-CD2 4.36Å; E492-F525 HydrophobicContact CG-CD2 4.43Å; L495-F525 HydrophobicContact CB-CE2 3.89Å; L495-F525 HydrophobicContact CB-CZ 3.7Å; L495-F525 HydrophobicContact CD1-CZ 4.46Å; T496-F525 WeakPolarHBondContact OG1-CE2 3.38Å; F506-F525 HydrophobicContact CE2-CE1 4.29Å; F506-F525 AromaticContact CE2-CZ 3.81Å; F506-F525 HydrophobicContact CE2-CZ 3.81Å; F506-F525 HydrophobicContact CZ-CE1 4.43Å; F506-F525 HydrophobicContact CZ-CZ 4.25Å; I521-F525 HydrophobicContact CG2-CB 4.26Å; I521-F525 HydrophobicContact CG2-CD1 3.82Å; I521-F525 HydrophobicContact CG2-CG 4.47Å; S522-F525 PolarHBondContact O-N 3.11Å; S522-F525 VanDerWaalsContact O-N 3.1Å; S522-F525 PolarHBondContact OG-N 3.06Å; F525-R527 VanDerWaalsContact C-N 3.31Å; F525-R527 PolarHBondContact O-N 3.08Å; F525-T528 WeakPolarHBondContact O-CB 3.46Å; F525-T528 PolarHBondContact O-N 3.22Å; F525-T528 VanDerWaalsContact O-N 3.16Å; F525-L529 PolarHBondContact O-N 2.92Å; F525-I562 HydrophobicContact CD1-CD1 3.76Å; F525-I562 HydrophobicContact CE1-CD1 3.69Å
526	L	88.6	Confident	83.9	Confident	18 Å²	18	65.4 Å²	65.4	9%	0.094	33%	0.332	C	S	.	.	H	α-helix	trans	-55.3	-45.8	171.8	174.1	63.2	0	0	0	111.5	S522 N524 T528 L529 L530 L559 I562 Y563 M566	S522-L526 PolarHBondContact O-N 3.41Å; N524-L526 VanDerWaalsContact C-N 3.33Å; N524-L526 PolarHBondContact O-N 3.02Å; L526-T528 VanDerWaalsContact C-N 3.33Å; L526-T528 PolarHBondContact O-N 3.38Å; L526-L529 PolarHBondContact O-N 3.16Å; L526-L530 HydrophobicContact CD1-CD1 4.21Å; L526-L530 HydrophobicContact CD1-CG 4.28Å; L526-L530 HydrophobicContact CG-CD1 4.08Å; L526-L530 WeakPolarHBondContact O-CG 3.42Å; L526-L530 PolarHBondContact O-N 3.09Å; L526-L559 HydrophobicContact CD1-CD1 3.43Å; L526-L559 VanDerWaalsContact CD1-CD1 3.43Å; L526-I562 HydrophobicContact CB-CG2 4.15Å; L526-I562 HydrophobicContact CD1-CB 4.47Å; L526-I562 HydrophobicContact CD1-CG2 3.84Å; L526-I562 HydrophobicContact CG-CG2 4.45Å; L526-Y563 HydrophobicContact CD1-CE1 4.16Å; L526-Y563 HydrophobicContact CD2-CE1 4.1Å; L526-M566 HydrophobicContact CB-CE 4.4Å; L526-M566 HydrophobicContact CD2-CE 3.62Å
527	R	88.2	Confident	83.2	Confident	157 Å²	157	61.8 Å²	61.8	59%	0.592	31%	0.314	S	S	*	.	H	α-helix	trans	-63.5	-38.6	178.2	-165	173.5	76.7	-175	3.8	112.3	E523 N524 F525 L530 N531	E523-R527 PolarHBondContact O-N 3.21Å; E523-R527 VanDerWaalsContact O-N 3.13Å; N524-R527 WeakPolarHBondContact O-CB 3.39Å; N524-R527 PolarHBondContact O-N 3.39Å; N524-R527 VanDerWaalsContact O-N 3.15Å; F525-R527 VanDerWaalsContact C-N 3.31Å; F525-R527 PolarHBondContact O-N 3.08Å; R527-L530 PolarHBondContact O-N 3.44Å; R527-N531 WeakPolarHBondContact O-CB 3.45Å; R527-N531 VanDerWaalsContact O-CG 3.29Å; R527-N531 PolarHBondContact O-N 3.18Å
528	T	90.1	Very high	82.3	Confident	60 Å²	60	63.6 Å²	63.6	37%	0.368	32%	0.318	S	S	.	.	H	α-helix	trans	-62.7	-44.3	176	-51.1	0	0	0	0	111.2	M499 N524 F525 L526 N531 R532	M499-T528 HydrophobicContact CE-CG2 3.7Å; N524-T528 PolarHBondContact O-N 3.26Å; N524-T528 PolarHBondContact O-OG1 3.29Å; N524-T528 VanDerWaalsContact O-OG1 3.05Å; F525-T528 WeakPolarHBondContact O-CB 3.46Å; F525-T528 PolarHBondContact O-N 3.22Å; F525-T528 VanDerWaalsContact O-N 3.16Å; L526-T528 VanDerWaalsContact C-N 3.33Å; L526-T528 PolarHBondContact O-N 3.38Å; T528-N531 PolarHBondContact O-N 3Å; T528-R532 PolarHBondContact O-N 3.15Å
529	L	90.1	Very high	81.5	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-63.5	-44.4	175.7	178.7	66.2	0	0	0	111.9	M499 F506 F525 L526 N531 R532 I533 L555 L559 I562	M499-L529 HydrophobicContact CG-CD1 4.17Å; M499-L529 HydrophobicContact SD-CB 3.91Å; M499-L529 HydrophobicContact SD-CD1 3.41Å; M499-L529 WeakPolarHBondContact SD-CD1 3.27Å; M499-L529 HydrophobicContact SD-CG 4.26Å; F506-L529 HydrophobicContact CE1-CD1 4.08Å; F506-L529 HydrophobicContact CZ-CD1 4.31Å; F525-L529 PolarHBondContact O-N 2.92Å; L526-L529 PolarHBondContact O-N 3.16Å; L529-N531 PolarHBondContact O-N 3.42Å; L529-R532 WeakPolarHBondContact O-CB 3.33Å; L529-R532 PolarHBondContact O-N 2.96Å; L529-R532 VanDerWaalsContact O-N 3.12Å; L529-I533 HydrophobicContact CD1-CD1 4.21Å; L529-I533 HydrophobicContact CD1-CG1 4.43Å; L529-I533 HydrophobicContact CG-CD1 3.99Å; L529-I533 WeakPolarHBondContact O-CG1 3.45Å; L529-I533 PolarHBondContact O-N 2.94Å; L529-L555 HydrophobicContact CD1-CB 4.25Å; L529-L555 HydrophobicContact CD1-CD2 3.94Å; L529-L559 HydrophobicContact CD2-CB 3.8Å; L529-L559 HydrophobicContact CD2-CD1 4.08Å; L529-I562 HydrophobicContact CB-CD1 4.48Å; L529-I562 HydrophobicContact CD2-CD1 3.51Å
530	L	89.3	Confident	80.3	Confident	37 Å²	37	68.6 Å²	68.6	19%	0.194	35%	0.347	C	S	.	.	H	α-helix	trans	-59.7	-47.7	177.4	-74.8	171.4	0	0	0	111.6	L526 R527 R532 I533 E534 L559	L526-L530 HydrophobicContact CD1-CD1 4.21Å; L526-L530 HydrophobicContact CD1-CG 4.28Å; L526-L530 HydrophobicContact CG-CD1 4.08Å; L526-L530 WeakPolarHBondContact O-CG 3.42Å; L526-L530 PolarHBondContact O-N 3.09Å; R527-L530 PolarHBondContact O-N 3.44Å; L530-R532 PolarHBondContact O-N 3.21Å; L530-I533 PolarHBondContact O-N 3.48Å; L530-I533 VanDerWaalsContact O-N 3.12Å; L530-E534 WeakPolarHBondContact O-CG 3.09Å; L530-E534 PolarHBondContact O-N 3.06Å; L530-L559 HydrophobicContact CD2-CD1 3.79Å; L530-L559 HydrophobicContact CD2-CD2 3.89Å; L530-L559 HydrophobicContact CG-CD1 4.21Å
531	N	87.3	Confident	79.1	Confident	81 Å²	81	70.3 Å²	70.3	43%	0.433	35%	0.351	S	S	.	.	H	α-helix	trans	-58.1	-36.9	175.1	-74.3	-10.1	0	0	0	111.9	R527 T528 L529 Q535	R527-N531 WeakPolarHBondContact O-CB 3.45Å; R527-N531 VanDerWaalsContact O-CG 3.29Å; R527-N531 PolarHBondContact O-N 3.18Å; T528-N531 PolarHBondContact O-N 3Å; L529-N531 PolarHBondContact O-N 3.42Å; N531-Q535 WeakPolarHBondContact O-CG 3.42Å; N531-Q535 PolarHBondContact O-N 3.41Å
532	R	85.7	Confident	77.9	Confident	43 Å²	43	74.4 Å²	74.4	16%	0.162	38%	0.382	C	S	.	.	H	α-helix	trans	-68.2	-39.3	177.6	-171.1	63	176	111.2	10.1	111.9	M499 T528 L529 L530 Y536 L555	M499-R532 HydrophobicContact CG-CG 4.49Å; M499-R532 HydrophobicContact SD-CB 4.48Å; T528-R532 PolarHBondContact O-N 3.15Å; L529-R532 WeakPolarHBondContact O-CB 3.33Å; L529-R532 PolarHBondContact O-N 2.96Å; L529-R532 VanDerWaalsContact O-N 3.12Å; L530-R532 PolarHBondContact O-N 3.21Å; R532-Y536 PolarHBondContact NH1-OH 3.21Å; R532-Y536 VanDerWaalsContact NH1-OH 3.16Å; R532-Y536 PolarHBondContact NH2-OH 3.07Å; R532-Y536 WeakPolarHBondContact O-CD2 3.3Å; R532-L555 HydrophobicContact CG-CD1 4.13Å
533	I	86.1	Confident	77	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-68.4	-40.8	175.9	-67.4	168.4	0	0	0	110.9	L529 L530 Q535 Y536 S537 L539 L555 Y556 L559	L529-I533 HydrophobicContact CD1-CD1 4.21Å; L529-I533 HydrophobicContact CD1-CG1 4.43Å; L529-I533 HydrophobicContact CG-CD1 3.99Å; L529-I533 WeakPolarHBondContact O-CG1 3.45Å; L529-I533 PolarHBondContact O-N 2.94Å; L530-I533 PolarHBondContact O-N 3.48Å; L530-I533 VanDerWaalsContact O-N 3.12Å; I533-Q535 PolarHBondContact O-N 3.45Å; I533-Y536 PolarHBondContact O-N 3.23Å; I533-S537 PolarHBondContact O-N 3.04Å; I533-S537 VanDerWaalsContact O-N 3.17Å; I533-L539 HydrophobicContact CG2-CD2 4.48Å; I533-L555 HydrophobicContact CD1-CB 4.2Å; I533-L555 HydrophobicContact CG1-CB 3.81Å; I533-L555 HydrophobicContact CG1-CD1 4.35Å; I533-Y556 HydrophobicContact CG2-CE1 3.99Å; I533-Y556 HydrophobicContact CG2-CE2 3.78Å; I533-Y556 VanDerWaalsContact CG2-CZ 3.47Å; I533-Y556 WeakPolarHBondContact CG2-OH 3.34Å; I533-L559 HydrophobicContact CD1-CB 4.1Å; I533-L559 HydrophobicContact CD1-CD2 3.95Å
534	E	84.5	Confident	76.3	Confident	104 Å²	104	71.4 Å²	71.4	49%	0.486	37%	0.367	S	S	.	.	H	α-helix	trans	-59.2	-27.8	178.8	-79.2	-175.3	174.8	0	0	113.3	L530 Y536 S537 L539	L530-E534 WeakPolarHBondContact O-CG 3.09Å; L530-E534 PolarHBondContact O-N 3.06Å; E534-Y536 PolarHBondContact O-N 2.67Å; E534-S537 WeakPolarHBondContact CA-O 3.2Å; E534-L539 HydrophobicContact CG-CD1 3.5Å; E534-L539 HydrophobicContact CG-CG 4.16Å; E534-L539 WeakPolarHBondContact OE1-CD1 3.41Å
535	Q	80.5	Confident	75.8	Confident	139 Å²	139	66.4 Å²	66.4	65%	0.65	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-26.4	174.8	-71.1	173.7	-0.5	0	0	113.2	N531 I533	N531-Q535 WeakPolarHBondContact O-CG 3.42Å; N531-Q535 PolarHBondContact O-N 3.41Å; I533-Q535 PolarHBondContact O-N 3.45Å
536	Y	72.3	Confident	75.1	Confident	108 Å²	108	68.4 Å²	68.4	42%	0.424	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-34.1	-179.6	-66.4	-79.8	0	0	0	112.8	R532 I533 E534 V552 L555	R532-Y536 PolarHBondContact NH1-OH 3.21Å; R532-Y536 VanDerWaalsContact NH1-OH 3.16Å; R532-Y536 PolarHBondContact NH2-OH 3.07Å; R532-Y536 WeakPolarHBondContact O-CD2 3.3Å; I533-Y536 PolarHBondContact O-N 3.23Å; E534-Y536 PolarHBondContact O-N 2.67Å; Y536-V552 HydrophobicContact CD1-CG2 3.92Å; Y536-V552 HydrophobicContact CD2-CG2 4.25Å; Y536-V552 HydrophobicContact CE1-CG2 4.33Å; Y536-V552 HydrophobicContact CG-CG2 3.87Å; Y536-L555 HydrophobicContact CD2-CD1 4.38Å; Y536-L555 HydrophobicContact CE2-CD1 4.18Å
537	S	63.4	Low	74.6	Confident	14 Å²	14	75.8 Å²	75.8	10%	0.098	39%	0.385	C	S	.	.			trans	-150.8	134.7	179.8	73.4	0	0	0	0	111.5	I533 E534 L539 Y556	I533-S537 PolarHBondContact O-N 3.04Å; I533-S537 VanDerWaalsContact O-N 3.17Å; E534-S537 WeakPolarHBondContact CA-O 3.2Å; S537-L539 PolarHBondContact O-N 2.87Å; S537-Y556 PolarHBondContact OG-OH 2.77Å; S537-Y556 VanDerWaalsContact OG-OH 3.08Å
538	S	60.1	Low	74.3	Confident	92 Å²	92	69.9 Å²	69.9	64%	0.643	37%	0.365	S	S	*	.			trans	-59.9	127.5	162.1	37.3	0	0	0	0	108.1	S540 I543	S538-S540 PolarHBondContact O-N 3.48Å; S538-S540 PolarHBondContact O-OG 3.33Å; S538-I543 WeakPolarHBondContact O-CD1 3.47Å
539	L	59.4	Low	74	Confident	81 Å²	81	73 Å²	73	42%	0.424	38%	0.379	S	S	.	.			trans	-62.2	40.9	-174.8	-80.6	155.2	0	0	0	114.4	I533 E534 S537	I533-L539 HydrophobicContact CG2-CD2 4.48Å; E534-L539 HydrophobicContact CG-CD1 3.5Å; E534-L539 HydrophobicContact CG-CG 4.16Å; E534-L539 WeakPolarHBondContact OE1-CD1 3.41Å; S537-L539 PolarHBondContact O-N 2.87Å
540	S	54.9	Low	73.8	Confident	47 Å²	47	77.3 Å²	77.3	33%	0.329	41%	0.406	S	S	.	.			trans	-74.5	135.3	176.1	62.1	0	0	0	0	110.8	S538 S542 I543 R578	S538-S540 PolarHBondContact O-N 3.48Å; S538-S540 PolarHBondContact O-OG 3.33Å; S540-S542 PolarHBondContact O-N 3.31Å; S540-S542 VanDerWaalsContact O-N 3.12Å; S540-I543 WeakPolarHBondContact OG-CD1 3.41Å; S540-I543 WeakPolarHBondContact OG-CG1 3.33Å; S540-R578 PolarHBondContact O-NH2 3.48Å
541	E	57.3	Low	73.6	Confident	171 Å²	171	80.1 Å²	80.1	80%	0.799	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-15	179.5	-71.3	179.1	151.5	0	0	113.3
542	S	55.7	Low	73.6	Confident	108 Å²	108	76.5 Å²	76.5	76%	0.755	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-6.1	-174.5	57	0	0	0	0	115.3	S540	S540-S542 PolarHBondContact O-N 3.31Å; S540-S542 VanDerWaalsContact O-N 3.12Å
543	I	64.3	Low	73.7	Confident	52 Å²	52	76 Å²	76	27%	0.267	40%	0.398	S	S	.	.			trans	-84.1	126	-176.8	-57.7	170.8	0	0	0	110.6	S538 S540 L545 L548 R578	S538-I543 WeakPolarHBondContact O-CD1 3.47Å; S540-I543 WeakPolarHBondContact OG-CD1 3.41Å; S540-I543 WeakPolarHBondContact OG-CG1 3.33Å; I543-L545 PolarHBondContact O-N 2.91Å; I543-L548 HydrophobicContact CG2-CD1 3.89Å; I543-R578 PolarHBondContact O-NH2 2.89Å
544	D	70.1	Confident	73.9	Confident	76 Å²	76	76.1 Å²	76.1	41%	0.406	40%	0.399	S	S	.	.			trans	-72.5	101.6	171.8	-172.4	-2.5	0	0	0	109.7	T546 K547	D544-T546 PolarHBondContact O-N 2.94Å; D544-T546 VanDerWaalsContact O-N 3.14Å; D544-T546 PolarHBondContact OD1-N 3.22Å; D544-T546 PolarHBondContact OD1-OG1 3.31Å; D544-K547 HydrophobicContact CB-CD 4.5Å; D544-K547 PolarHBondContact O-N 3.24Å; D544-K547 WeakPolarHBondContact OD2-CE 3.32Å
545	L	76	Confident	74.2	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-63.6	-21.6	-172.7	-64.7	-178.9	0	0	0	113.1	I543 K547 L548 Y556 R578 L579	I543-L545 PolarHBondContact O-N 2.91Å; L545-K547 PolarHBondContact O-N 3.23Å; L545-L548 HydrophobicContact CB-CD1 4.41Å; L545-L548 HydrophobicContact CD2-CD1 3.84Å; L545-L548 PolarHBondContact O-N 3.2Å; L545-Y556 HydrophobicContact CD1-CD1 4.15Å; L545-Y556 HydrophobicContact CD1-CE1 4.39Å; L545-Y556 HydrophobicContact CD1-CG 4.34Å; L545-Y556 HydrophobicContact CD2-CD1 4.37Å; L545-Y556 HydrophobicContact CD2-CD2 4.08Å; L545-Y556 HydrophobicContact CD2-CE1 4.02Å; L545-Y556 HydrophobicContact CD2-CE2 3.72Å; L545-Y556 HydrophobicContact CD2-CG 4.4Å; L545-R578 HydrophobicContact CB-CB 4.34Å; L545-R578 HydrophobicContact CD1-CB 3.45Å; L545-R578 VanDerWaalsContact CD1-CB 3.45Å; L545-R578 HydrophobicContact CG-CB 3.91Å; L545-L579 HydrophobicContact CB-CD2 3.87Å; L545-L579 HydrophobicContact CB-CG 4.35Å; L545-L579 HydrophobicContact CD1-CD2 4.23Å; L545-L579 HydrophobicContact CD1-CG 4.04Å
546	T	72.4	Confident	74.7	Confident	49 Å²	49	65 Å²	65	30%	0.301	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-68.6	-16.9	-179.1	65.3	0	0	0	0	113.7	D544 Q553 R580	D544-T546 PolarHBondContact O-N 2.94Å; D544-T546 VanDerWaalsContact O-N 3.14Å; D544-T546 PolarHBondContact OD1-N 3.22Å; D544-T546 PolarHBondContact OD1-OG1 3.31Å; T546-Q553 PolarHBondContact O-NE2 2.95Å; T546-R580 HydrophobicContact CG2-CB 3.98Å; T546-R580 HydrophobicContact CG2-CG 3.81Å
547	K	79.2	Confident	75.5	Confident	172 Å²	172	64 Å²	64	75%	0.748	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-94.5	-5.7	-180	-64	-176	-176.5	174.8	0	114	D544 L545	D544-K547 HydrophobicContact CB-CD 4.5Å; D544-K547 PolarHBondContact O-N 3.24Å; D544-K547 WeakPolarHBondContact OD2-CE 3.32Å; L545-K547 PolarHBondContact O-N 3.23Å
548	L	80.9	Confident	76.8	Confident	34 Å²	34	63.3 Å²	63.3	18%	0.178	34%	0.338	C	S	.	.	S	Bend	trans	-75.5	159.1	176	-79.5	108.2	0	0	0	111.6	I543 L545 V552 Q553	I543-L548 HydrophobicContact CG2-CD1 3.89Å; L545-L548 HydrophobicContact CB-CD1 4.41Å; L545-L548 HydrophobicContact CD2-CD1 3.84Å; L545-L548 PolarHBondContact O-N 3.2Å; L548-V552 HydrophobicContact CB-CB 4.34Å; L548-V552 HydrophobicContact CD2-CB 3.97Å; L548-V552 HydrophobicContact CD2-CG1 3.48Å; L548-V552 VanDerWaalsContact CD2-CG1 3.48Å; L548-Q553 HydrophobicContact CB-CG 4.35Å; L548-Q553 PolarHBondContact O-NE2 3.4Å
549	D	83.8	Confident	78.3	Confident	124 Å²	124	59.1 Å²	59.1	66%	0.663	31%	0.308	S	S	*	.			trans	-56.6	148.1	172.1	-70.7	-29.6	0	0	0	111.6	E551 V552 Q553	D549-E551 PolarHBondContact O-N 3.45Å; D549-V552 HydrophobicContact CB-CG2 4.39Å; D549-V552 PolarHBondContact O-N 3.14Å; D549-Q553 WeakPolarHBondContact O-CG 3.49Å; D549-Q553 PolarHBondContact O-N 3.31Å
550	T	86.1	Confident	79.7	Confident	91 Å²	91	55.4 Å²	55.4	56%	0.558	29%	0.289	S	S	*	.	H	α-helix	trans	-57.9	-32.8	-176.4	51.3	0	0	0	0	113.1	A554	T550-A554 PolarHBondContact O-N 2.81Å
551	E	85.8	Confident	81.4	Confident	96 Å²	96	53.8 Å²	53.8	45%	0.449	28%	0.276	S	S	.	.	H	α-helix	trans	-66.5	-43.5	174.8	-68.4	-175	175.1	0	0	112.4	P503 I504 D549 Q553 A554 L555	P503-E551 HydrophobicContact CB-CB 4.1Å; P503-E551 HydrophobicContact CG-CB 4.08Å; P503-E551 HydrophobicContact CG-CG 4.39Å; I504-E551 HydrophobicContact CD1-CG 4.38Å; I504-E551 HydrophobicContact CG1-CG 4.41Å; D549-E551 PolarHBondContact O-N 3.45Å; E551-Q553 VanDerWaalsContact C-N 3.34Å; E551-A554 WeakPolarHBondContact O-CB 3.28Å; E551-A554 PolarHBondContact O-N 3.33Å; E551-A554 VanDerWaalsContact O-N 3.13Å; E551-L555 PolarHBondContact O-N 3.03Å; E551-L555 VanDerWaalsContact O-N 3.12Å
552	V	87.4	Confident	82.9	Confident	6 Å²	6	45.6 Å²	45.6	4%	0.036	24%	0.238	C	C	.	.	H	α-helix	trans	-70.2	-36.8	178.5	-171.4	0	0	0	0	110.2	Y536 L548 D549 A554 L555 Y556	Y536-V552 HydrophobicContact CD1-CG2 3.92Å; Y536-V552 HydrophobicContact CD2-CG2 4.25Å; Y536-V552 HydrophobicContact CE1-CG2 4.33Å; Y536-V552 HydrophobicContact CG-CG2 3.87Å; L548-V552 HydrophobicContact CB-CB 4.34Å; L548-V552 HydrophobicContact CD2-CB 3.97Å; L548-V552 HydrophobicContact CD2-CG1 3.48Å; L548-V552 VanDerWaalsContact CD2-CG1 3.48Å; D549-V552 HydrophobicContact CB-CG2 4.39Å; D549-V552 PolarHBondContact O-N 3.14Å; V552-A554 VanDerWaalsContact C-N 3.26Å; V552-A554 PolarHBondContact O-N 3.32Å; V552-L555 WeakPolarHBondContact O-CB 3.42Å; V552-L555 PolarHBondContact O-N 2.97Å; V552-L555 VanDerWaalsContact O-N 3.15Å; V552-Y556 HydrophobicContact CG1-CD2 4.1Å; V552-Y556 HydrophobicContact CG1-CE2 3.96Å; V552-Y556 WeakPolarHBondContact O-CD2 3.49Å; V552-Y556 PolarHBondContact O-N 3.37Å
553	Q	88.4	Confident	84.5	Confident	31 Å²	31	42.1 Å²	42.1	15%	0.145	21%	0.209	C	C	.	.	H	α-helix	trans	-59.3	-37.9	170.3	-66	-178.1	18.2	0	0	111.8	T546 L548 D549 E551 L555 Y556 R557 L579	T546-Q553 PolarHBondContact O-NE2 2.95Å; L548-Q553 HydrophobicContact CB-CG 4.35Å; L548-Q553 PolarHBondContact O-NE2 3.4Å; D549-Q553 WeakPolarHBondContact O-CG 3.49Å; D549-Q553 PolarHBondContact O-N 3.31Å; E551-Q553 VanDerWaalsContact C-N 3.34Å; Q553-L555 VanDerWaalsContact C-N 3.34Å; Q553-Y556 PolarHBondContact O-N 3Å; Q553-R557 WeakPolarHBondContact O-CG 3.47Å; Q553-R557 PolarHBondContact O-N 3Å; Q553-L579 HydrophobicContact CB-CD2 4.03Å; Q553-L579 HydrophobicContact CG-CD2 4.03Å
554	A	89.1	Confident	85.5	Confident	3 Å²	3	41.4 Å²	41.4	3%	0.025	20%	0.204	C	C	.	.	H	α-helix	trans	-64.3	-37.3	175.4	0	0	0	0	0	112.2	P503 I504 A507 T550 E551 V552 R557 G558	P503-A554 HydrophobicContact CB-CB 4.41Å; P503-A554 WeakPolarHBondContact O-CB 3.09Å; I504-A554 HydrophobicContact CG1-CB 4.22Å; A507-A554 HydrophobicContact CB-CB 4.15Å; T550-A554 PolarHBondContact O-N 2.81Å; E551-A554 WeakPolarHBondContact O-CB 3.28Å; E551-A554 PolarHBondContact O-N 3.33Å; E551-A554 VanDerWaalsContact O-N 3.13Å; V552-A554 VanDerWaalsContact C-N 3.26Å; V552-A554 PolarHBondContact O-N 3.32Å; A554-R557 WeakPolarHBondContact O-CB 3.21Å; A554-R557 PolarHBondContact O-N 3.36Å; A554-G558 PolarHBondContact O-N 3.36Å
555	L	91.1	Very high	86.2	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-63.5	-43.5	172.8	-61.9	176.6	0	0	0	112	M499 P503 F506 L529 R532 I533 Y536 E551 V552 Q553 R557 G558 L559	M499-L555 HydrophobicContact CG-CD2 3.77Å; P503-L555 HydrophobicContact CB-CD2 4Å; P503-L555 HydrophobicContact CB-CG 4.19Å; F506-L555 HydrophobicContact CD1-CD2 4.24Å; F506-L555 HydrophobicContact CE1-CD2 4.34Å; L529-L555 HydrophobicContact CD1-CB 4.25Å; L529-L555 HydrophobicContact CD1-CD2 3.94Å; R532-L555 HydrophobicContact CG-CD1 4.13Å; I533-L555 HydrophobicContact CD1-CB 4.2Å; I533-L555 HydrophobicContact CG1-CB 3.81Å; I533-L555 HydrophobicContact CG1-CD1 4.35Å; Y536-L555 HydrophobicContact CD2-CD1 4.38Å; Y536-L555 HydrophobicContact CE2-CD1 4.18Å; E551-L555 PolarHBondContact O-N 3.03Å; E551-L555 VanDerWaalsContact O-N 3.12Å; V552-L555 WeakPolarHBondContact O-CB 3.42Å; V552-L555 PolarHBondContact O-N 2.97Å; V552-L555 VanDerWaalsContact O-N 3.15Å; Q553-L555 VanDerWaalsContact C-N 3.34Å; L555-R557 VanDerWaalsContact C-N 3.34Å; L555-R557 PolarHBondContact O-N 2.89Å; L555-G558 WeakPolarHBondContact O-CA 3.47Å; L555-G558 PolarHBondContact O-N 3.26Å; L555-L559 PolarHBondContact O-N 3.12Å
556	Y	90.2	Very high	86.6	Confident	8 Å²	8	46.3 Å²	46.3	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-36.1	174.7	-82.7	-77.6	0	0	0	112.6	I533 S537 L545 V552 Q553 L559 A560 I575	I533-Y556 HydrophobicContact CG2-CE1 3.99Å; I533-Y556 HydrophobicContact CG2-CE2 3.78Å; I533-Y556 VanDerWaalsContact CG2-CZ 3.47Å; I533-Y556 WeakPolarHBondContact CG2-OH 3.34Å; S537-Y556 PolarHBondContact OG-OH 2.77Å; S537-Y556 VanDerWaalsContact OG-OH 3.08Å; L545-Y556 HydrophobicContact CD1-CD1 4.15Å; L545-Y556 HydrophobicContact CD1-CE1 4.39Å; L545-Y556 HydrophobicContact CD1-CG 4.34Å; L545-Y556 HydrophobicContact CD2-CD1 4.37Å; L545-Y556 HydrophobicContact CD2-CD2 4.08Å; L545-Y556 HydrophobicContact CD2-CE1 4.02Å; L545-Y556 HydrophobicContact CD2-CE2 3.72Å; L545-Y556 HydrophobicContact CD2-CG 4.4Å; V552-Y556 HydrophobicContact CG1-CD2 4.1Å; V552-Y556 HydrophobicContact CG1-CE2 3.96Å; V552-Y556 WeakPolarHBondContact O-CD2 3.49Å; V552-Y556 PolarHBondContact O-N 3.37Å; Q553-Y556 PolarHBondContact O-N 3Å; Y556-L559 HydrophobicContact CD1-CD2 4.42Å; Y556-L559 WeakPolarHBondContact O-CB 3.36Å; Y556-L559 PolarHBondContact O-N 3.35Å; Y556-A560 PolarHBondContact O-N 3.34Å; Y556-I575 HydrophobicContact CD1-CG2 4.21Å; Y556-I575 WeakPolarHBondContact O-CG2 3.39Å
557	R	90.6	Very high	87	Confident	88 Å²	88	45.7 Å²	45.7	33%	0.332	23%	0.229	S	C	.	.	H	α-helix	trans	-61.3	-45.4	170.2	-73.9	-178.4	179.3	111.8	7.2	111.2	Q553 A554 L555 L559 A560 I561 L579 D581	Q553-R557 WeakPolarHBondContact O-CG 3.47Å; Q553-R557 PolarHBondContact O-N 3Å; A554-R557 WeakPolarHBondContact O-CB 3.21Å; A554-R557 PolarHBondContact O-N 3.36Å; L555-R557 VanDerWaalsContact C-N 3.34Å; L555-R557 PolarHBondContact O-N 2.89Å; R557-L559 VanDerWaalsContact C-N 3.27Å; R557-L559 PolarHBondContact O-N 3.41Å; R557-A560 WeakPolarHBondContact O-CB 3.49Å; R557-A560 PolarHBondContact O-N 2.86Å; R557-I561 WeakPolarHBondContact O-CG1 3.49Å; R557-I561 PolarHBondContact O-N 3.37Å; R557-L579 HydrophobicContact CG-CD1 3.87Å; R557-D581 IonicContact CZ-OD2 3.23Å; R557-D581 IonicContact NE-OD2 3.81Å; R557-D581 PolarHBondContact NE-OD2 3.13Å; R557-D581 IonicContact NH2-OD2 2.73Å; R557-D581 PolarHBondContact NH2-OD2 3.1Å
558	G	90.5	Very high	87.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-54.9	-44	173.2	0	0	0	0	0	112	A554 L555 A560 I561 I562	A554-G558 PolarHBondContact O-N 3.36Å; L555-G558 WeakPolarHBondContact O-CA 3.47Å; L555-G558 PolarHBondContact O-N 3.26Å; G558-A560 PolarHBondContact O-N 3.37Å; G558-I561 PolarHBondContact O-N 3.18Å; G558-I562 WeakPolarHBondContact O-CG1 3.42Å; G558-I562 PolarHBondContact O-N 2.91Å
559	L	91	Very high	87.3	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-63	-41.5	178.3	-176.3	63.7	0	0	0	112.1	L526 L529 L530 I533 L555 Y556 R557 I561 I562 Y563 I575	L526-L559 HydrophobicContact CD1-CD1 3.43Å; L526-L559 VanDerWaalsContact CD1-CD1 3.43Å; L529-L559 HydrophobicContact CD2-CB 3.8Å; L529-L559 HydrophobicContact CD2-CD1 4.08Å; L530-L559 HydrophobicContact CD2-CD1 3.79Å; L530-L559 HydrophobicContact CD2-CD2 3.89Å; L530-L559 HydrophobicContact CG-CD1 4.21Å; I533-L559 HydrophobicContact CD1-CB 4.1Å; I533-L559 HydrophobicContact CD1-CD2 3.95Å; L555-L559 PolarHBondContact O-N 3.12Å; Y556-L559 HydrophobicContact CD1-CD2 4.42Å; Y556-L559 WeakPolarHBondContact O-CB 3.36Å; Y556-L559 PolarHBondContact O-N 3.35Å; R557-L559 VanDerWaalsContact C-N 3.27Å; R557-L559 PolarHBondContact O-N 3.41Å; L559-I561 VanDerWaalsContact C-N 3.34Å; L559-I561 PolarHBondContact O-N 3.42Å; L559-I562 PolarHBondContact O-N 3.3Å; L559-Y563 HydrophobicContact CD1-CD2 4.17Å; L559-Y563 HydrophobicContact CD1-CE2 3.67Å; L559-Y563 HydrophobicContact CD2-CE2 3.94Å; L559-Y563 HydrophobicContact CG-CD2 3.91Å; L559-Y563 HydrophobicContact CG-CE2 3.56Å; L559-Y563 WeakPolarHBondContact O-CD2 3.17Å; L559-Y563 PolarHBondContact O-N 3.06Å; L559-I575 HydrophobicContact CB-CD1 4.45Å; L559-I575 HydrophobicContact CD2-CD1 3.69Å; L559-I575 HydrophobicContact CG-CD1 3.85Å
560	A	89.6	Confident	87	Confident	2 Å²	2	38.7 Å²	38.7	2%	0.017	20%	0.199	C	C	.	.	H	α-helix	trans	-62	-40.9	175.3	0	0	0	0	0	112.1	Y556 R557 G558 Y563 E564 A572 I575 L576	Y556-A560 PolarHBondContact O-N 3.34Å; R557-A560 WeakPolarHBondContact O-CB 3.49Å; R557-A560 PolarHBondContact O-N 2.86Å; G558-A560 PolarHBondContact O-N 3.37Å; A560-Y563 PolarHBondContact O-N 3.12Å; A560-E564 PolarHBondContact O-N 3.15Å; A560-A572 HydrophobicContact CB-CB 4.45Å; A560-A572 WeakPolarHBondContact O-CB 3.31Å; A560-I575 HydrophobicContact CB-CB 4.33Å; A560-I575 HydrophobicContact CB-CG2 4.1Å; A560-L576 HydrophobicContact CB-CD1 4.49Å; A560-L576 HydrophobicContact CB-CD2 3.98Å; A560-L576 HydrophobicContact CB-CG 3.92Å
561	I	89.2	Confident	86.9	Confident	13 Å²	13	38.8 Å²	38.8	7%	0.067	19%	0.193	C	C	.	.	H	α-helix	trans	-64.4	-43	177	-64.4	158.2	0	0	0	111	L510 T511 C514 R557 G558 L559 E564 Q565	L510-I561 HydrophobicContact CD2-CB 4.12Å; L510-I561 HydrophobicContact CD2-CD1 4.44Å; L510-I561 HydrophobicContact CD2-CG2 4.07Å; L510-I561 HydrophobicContact CG-CG2 4.06Å; T511-I561 WeakPolarHBondContact OG1-CD1 3.28Å; C514-I561 HydrophobicContact CB-CG2 4.18Å; R557-I561 WeakPolarHBondContact O-CG1 3.49Å; R557-I561 PolarHBondContact O-N 3.37Å; G558-I561 PolarHBondContact O-N 3.18Å; L559-I561 VanDerWaalsContact C-N 3.34Å; L559-I561 PolarHBondContact O-N 3.42Å; I561-E564 WeakPolarHBondContact O-CB 3.48Å; I561-E564 PolarHBondContact O-N 3.18Å; I561-Q565 PolarHBondContact O-N 2.99Å
562	I	89.7	Confident	87	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.5	-44.3	176.9	-62.7	174.7	0	0	0	110.7	L510 I521 F525 L526 L529 G558 L559 E564 Q565 M566	L510-I562 HydrophobicContact CD2-CG1 4.04Å; I521-I562 HydrophobicContact CD1-CB 4.42Å; I521-I562 HydrophobicContact CD1-CG1 4.04Å; I521-I562 HydrophobicContact CD1-CG2 4.45Å; I521-I562 HydrophobicContact CG2-CD1 4.47Å; I521-I562 HydrophobicContact CG2-CG1 4.31Å; I521-I562 HydrophobicContact CG2-CG2 3.79Å; F525-I562 HydrophobicContact CD1-CD1 3.76Å; F525-I562 HydrophobicContact CE1-CD1 3.69Å; L526-I562 HydrophobicContact CB-CG2 4.15Å; L526-I562 HydrophobicContact CD1-CB 4.47Å; L526-I562 HydrophobicContact CD1-CG2 3.84Å; L526-I562 HydrophobicContact CG-CG2 4.45Å; L529-I562 HydrophobicContact CB-CD1 4.48Å; L529-I562 HydrophobicContact CD2-CD1 3.51Å; G558-I562 WeakPolarHBondContact O-CG1 3.42Å; G558-I562 PolarHBondContact O-N 2.91Å; L559-I562 PolarHBondContact O-N 3.3Å; I562-E564 VanDerWaalsContact C-N 3.29Å; I562-E564 PolarHBondContact O-N 3.08Å; I562-Q565 PolarHBondContact O-N 3.1Å; I562-M566 HydrophobicContact CG2-CG 4.16Å; I562-M566 WeakPolarHBondContact O-CB 3.41Å; I562-M566 VanDerWaalsContact O-CG 3.25Å; I562-M566 WeakPolarHBondContact O-CG 3.31Å; I562-M566 PolarHBondContact O-N 2.96Å
563	Y	88.5	Confident	86.8	Confident	35 Å²	35	34 Å²	34	14%	0.137	17%	0.171	C	C	.	.	H	α-helix	trans	-63.6	-34.6	176.1	-76.9	-42.1	0	0	0	112.8	L526 L559 A560 M566 G567 S568 Q571 I575	L526-Y563 HydrophobicContact CD1-CE1 4.16Å; L526-Y563 HydrophobicContact CD2-CE1 4.1Å; L559-Y563 HydrophobicContact CD1-CD2 4.17Å; L559-Y563 HydrophobicContact CD1-CE2 3.67Å; L559-Y563 HydrophobicContact CD2-CE2 3.94Å; L559-Y563 HydrophobicContact CG-CD2 3.91Å; L559-Y563 HydrophobicContact CG-CE2 3.56Å; L559-Y563 WeakPolarHBondContact O-CD2 3.17Å; L559-Y563 PolarHBondContact O-N 3.06Å; A560-Y563 PolarHBondContact O-N 3.12Å; Y563-M566 PolarHBondContact O-N 3.07Å; Y563-G567 PolarHBondContact O-N 3.09Å; Y563-G567 VanDerWaalsContact O-N 3.15Å; Y563-S568 PolarHBondContact O-N 3.38Å; Y563-Q571 HydrophobicContact CD1-CB 4.48Å; Y563-Q571 VanDerWaalsContact CD1-OE1 3.3Å; Y563-Q571 HydrophobicContact CD2-CB 3.74Å; Y563-Q571 HydrophobicContact CE2-CB 3.96Å; Y563-Q571 HydrophobicContact CG-CB 4.02Å; Y563-I575 HydrophobicContact CD2-CD1 3.71Å; Y563-I575 HydrophobicContact CE2-CD1 3.71Å
564	E	86.3	Confident	86.5	Confident	36 Å²	36	36.1 Å²	36.1	17%	0.168	18%	0.183	C	C	.	.	H	α-helix	trans	-60.6	-47	172.5	-172.5	-178	-178.8	0	0	111.2	A560 I561 I562 G567 F569 L587	A560-E564 PolarHBondContact O-N 3.15Å; I561-E564 WeakPolarHBondContact O-CB 3.48Å; I561-E564 PolarHBondContact O-N 3.18Å; I562-E564 VanDerWaalsContact C-N 3.29Å; I562-E564 PolarHBondContact O-N 3.08Å; E564-G567 PolarHBondContact O-N 3.13Å; E564-F569 HydrophobicContact CG-CD1 4.32Å; E564-F569 HydrophobicContact CG-CE1 4.11Å; E564-L587 HydrophobicContact CB-CD1 3.99Å; E564-L587 HydrophobicContact CG-CD1 3.88Å; E564-L587 HydrophobicContact CG-CG 4.28Å
565	Q	83.9	Confident	86.3	Confident	100 Å²	100	36.6 Å²	36.6	47%	0.467	19%	0.185	S	C	.	.	H	α-helix	trans	-65.7	-39	179.4	-73	-64.1	-23.4	0	0	112.8	C514 I521 I561 I562 G567	C514-Q565 HydrophobicContact CB-CG 4.18Å; I521-Q565 HydrophobicContact CD1-CB 3.89Å; I521-Q565 HydrophobicContact CD1-CG 3.94Å; I561-Q565 PolarHBondContact O-N 2.99Å; I562-Q565 PolarHBondContact O-N 3.1Å; Q565-G567 PolarHBondContact O-N 3Å
566	M	84.6	Confident	86.1	Confident	80 Å²	80	36.9 Å²	36.9	39%	0.394	19%	0.186	S	C	.	.	H	α-helix	trans	-72.7	-9.1	176.5	-66.2	-92.8	-106.9	0	0	113.2	E523 L526 I562 Y563	E523-M566 HydrophobicContact CB-CE 4.4Å; E523-M566 HydrophobicContact CG-CE 4.29Å; L526-M566 HydrophobicContact CB-CE 4.4Å; L526-M566 HydrophobicContact CD2-CE 3.62Å; I562-M566 HydrophobicContact CG2-CG 4.16Å; I562-M566 WeakPolarHBondContact O-CB 3.41Å; I562-M566 VanDerWaalsContact O-CG 3.25Å; I562-M566 WeakPolarHBondContact O-CG 3.31Å; I562-M566 PolarHBondContact O-N 2.96Å; Y563-M566 PolarHBondContact O-N 3.07Å
567	G	80.8	Confident	85.7	Confident	36 Å²	36	37.1 Å²	37.1	37%	0.371	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	6	-179.6	0	0	0	0	0	115.4	Y563 E564 Q565 F569	Y563-G567 PolarHBondContact O-N 3.09Å; Y563-G567 VanDerWaalsContact O-N 3.15Å; E564-G567 PolarHBondContact O-N 3.13Å; Q565-G567 PolarHBondContact O-N 3Å; G567-F569 VanDerWaalsContact C-N 3.27Å; G567-F569 WeakPolarHBondContact O-CD2 3.36Å; G567-F569 WeakPolarHBondContact O-CE2 3.35Å; G567-F569 PolarHBondContact O-N 2.86Å; G567-F569 VanDerWaalsContact O-N 3.08Å
568	S	85.1	Confident	85.3	Confident	49 Å²	49	35.9 Å²	35.9	34%	0.343	18%	0.184	S	C	.	.			trans	-84.4	60.8	176.8	-67.9	0	0	0	0	111.9	Y563 E570 Q571 A572	Y563-S568 PolarHBondContact O-N 3.38Å; S568-E570 VanDerWaalsContact C-N 3.29Å; S568-E570 PolarHBondContact O-N 3.4Å; S568-Q571 PolarHBondContact O-N 3.02Å; S568-A572 PolarHBondContact O-N 2.97Å
569	F	81.6	Confident	85	Confident	22 Å²	22	36.3 Å²	36.3	10%	0.096	19%	0.186	C	C	.	.	H	α-helix	trans	-59.6	-32.7	-172.2	-54.8	-67.9	0	0	0	114.4	E564 G567 Q571 A572 I573 N591 K594 L595	E564-F569 HydrophobicContact CG-CD1 4.32Å; E564-F569 HydrophobicContact CG-CE1 4.11Å; G567-F569 VanDerWaalsContact C-N 3.27Å; G567-F569 WeakPolarHBondContact O-CD2 3.36Å; G567-F569 WeakPolarHBondContact O-CE2 3.35Å; G567-F569 PolarHBondContact O-N 2.86Å; G567-F569 VanDerWaalsContact O-N 3.08Å; F569-Q571 PolarHBondContact O-N 3.19Å; F569-A572 PolarHBondContact O-N 3.05Å; F569-I573 WeakPolarHBondContact O-CB 3.49Å; F569-I573 VanDerWaalsContact O-CG1 3.23Å; F569-I573 WeakPolarHBondContact O-CG1 3.27Å; F569-I573 PolarHBondContact O-N 3.48Å; F569-N591 HydrophobicContact CD1-CB 4.17Å; F569-N591 HydrophobicContact CE1-CB 4.19Å; F569-N591 WeakPolarHBondContact CE1-ND2 3.44Å; F569-N591 WeakPolarHBondContact CE1-OD1 3.35Å; F569-K594 HydrophobicContact CD2-CB 4.49Å; F569-K594 HydrophobicContact CE2-CB 3.87Å; F569-K594 HydrophobicContact CE2-CD 3.69Å; F569-K594 HydrophobicContact CE2-CG 4.44Å; F569-K594 HydrophobicContact CZ-CB 4.39Å; F569-K594 HydrophobicContact CZ-CD 3.49Å; F569-K594 VanDerWaalsContact CZ-CD 3.49Å; F569-L595 HydrophobicContact CB-CD1 4.15Å; F569-L595 HydrophobicContact CB-CD2 3.97Å; F569-L595 HydrophobicContact CB-CG 4.19Å; F569-L595 HydrophobicContact CD2-CG 4.47Å; F569-L595 HydrophobicContact CG-CG 4.49Å
570	E	77.5	Confident	84.7	Confident	111 Å²	111	42.3 Å²	42.3	52%	0.519	21%	0.209	S	C	.	.	H	α-helix	trans	-62.4	-43.4	179	-80.4	173.7	-171.8	0	0	112	S568 I573 N574 I603	S568-E570 VanDerWaalsContact C-N 3.29Å; S568-E570 PolarHBondContact O-N 3.4Å; E570-I573 PolarHBondContact O-N 3.36Å; E570-N574 WeakPolarHBondContact O-CB 3.32Å; E570-N574 PolarHBondContact O-N 3.22Å; E570-I603 HydrophobicContact CG-CD1 4.32Å
571	Q	84.4	Confident	84.3	Confident	93 Å²	93	43 Å²	43	44%	0.435	21%	0.212	S	C	.	.	H	α-helix	trans	-67.6	-42.5	178.4	-67.1	172.8	-22.9	0	0	110.7	Y563 S568 F569 N574 I575	Y563-Q571 HydrophobicContact CD1-CB 4.48Å; Y563-Q571 VanDerWaalsContact CD1-OE1 3.3Å; Y563-Q571 HydrophobicContact CD2-CB 3.74Å; Y563-Q571 HydrophobicContact CE2-CB 3.96Å; Y563-Q571 HydrophobicContact CG-CB 4.02Å; S568-Q571 PolarHBondContact O-N 3.02Å; F569-Q571 PolarHBondContact O-N 3.19Å; Q571-N574 PolarHBondContact O-N 3.25Å; Q571-I575 WeakPolarHBondContact O-CD1 3.47Å; Q571-I575 VanDerWaalsContact O-CG1 3.29Å; Q571-I575 WeakPolarHBondContact O-CG1 3.44Å; Q571-I575 PolarHBondContact O-N 3.24Å
572	A	87.5	Confident	84	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-47.4	175.1	0	0	0	0	0	111.7	A560 S568 F569 I575 L576 L587	A560-A572 HydrophobicContact CB-CB 4.45Å; A560-A572 WeakPolarHBondContact O-CB 3.31Å; S568-A572 PolarHBondContact O-N 2.97Å; F569-A572 PolarHBondContact O-N 3.05Å; A572-I575 PolarHBondContact O-N 3.18Å; A572-L576 VanDerWaalsContact O-CG 3.32Å; A572-L576 WeakPolarHBondContact O-CG 3.43Å; A572-L576 PolarHBondContact O-N 3.26Å; A572-L587 HydrophobicContact CB-CD1 3.98Å
573	I	83.2	Confident	83.6	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.015	25%	0.245	C	C	.	.	H	α-helix	trans	-63	-46.4	178.2	-67.6	165.3	0	0	0	110.6	F569 E570 I575 L576 V577 V584 L587 V588 L595 I603	F569-I573 WeakPolarHBondContact O-CB 3.49Å; F569-I573 VanDerWaalsContact O-CG1 3.23Å; F569-I573 WeakPolarHBondContact O-CG1 3.27Å; F569-I573 PolarHBondContact O-N 3.48Å; E570-I573 PolarHBondContact O-N 3.36Å; I573-I575 VanDerWaalsContact C-N 3.3Å; I573-I575 PolarHBondContact O-N 3.02Å; I573-L576 PolarHBondContact O-N 3.5Å; I573-V577 HydrophobicContact CG2-CG2 3.93Å; I573-V577 WeakPolarHBondContact O-CB 3.3Å; I573-V577 VanDerWaalsContact O-CG2 3.23Å; I573-V577 WeakPolarHBondContact O-CG2 3.27Å; I573-V577 PolarHBondContact O-N 3.08Å; I573-V584 HydrophobicContact CG2-CG2 3.94Å; I573-L587 HydrophobicContact CD1-CD2 4.03Å; I573-L587 HydrophobicContact CG1-CD2 3.55Å; I573-V588 HydrophobicContact CD1-CG2 4Å; I573-V588 HydrophobicContact CG1-CG2 4.32Å; I573-L595 HydrophobicContact CD1-CD1 4.02Å; I573-I603 HydrophobicContact CD1-CD1 4.11Å; I573-I603 HydrophobicContact CG2-CG2 3.87Å
574	N	82.3	Confident	83.4	Confident	74 Å²	74	47.2 Å²	47.2	40%	0.396	24%	0.239	S	C	.	.	H	α-helix	trans	-58.5	-43.7	-180	-169.8	-46.3	0	0	0	111.3	E570 Q571 V577 R578	E570-N574 WeakPolarHBondContact O-CB 3.32Å; E570-N574 PolarHBondContact O-N 3.22Å; Q571-N574 PolarHBondContact O-N 3.25Å; N574-V577 PolarHBondContact O-N 3.09Å; N574-R578 WeakPolarHBondContact O-CB 3.42Å; N574-R578 VanDerWaalsContact O-CG 3.28Å; N574-R578 WeakPolarHBondContact O-CG 3.49Å; N574-R578 PolarHBondContact O-N 3.12Å; N574-R578 WeakPolarHBondContact OD1-CD 3.46Å
575	I	85.7	Confident	83.2	Confident	14 Å²	14	46 Å²	46	7%	0.072	23%	0.233	C	C	.	.	H	α-helix	trans	-63.1	-48.4	176.4	-67.7	163.8	0	0	0	111.3	Y556 L559 A560 Y563 Q571 A572 I573 V577 R578 L579	Y556-I575 HydrophobicContact CD1-CG2 4.21Å; Y556-I575 WeakPolarHBondContact O-CG2 3.39Å; L559-I575 HydrophobicContact CB-CD1 4.45Å; L559-I575 HydrophobicContact CD2-CD1 3.69Å; L559-I575 HydrophobicContact CG-CD1 3.85Å; A560-I575 HydrophobicContact CB-CB 4.33Å; A560-I575 HydrophobicContact CB-CG2 4.1Å; Y563-I575 HydrophobicContact CD2-CD1 3.71Å; Y563-I575 HydrophobicContact CE2-CD1 3.71Å; Q571-I575 WeakPolarHBondContact O-CD1 3.47Å; Q571-I575 VanDerWaalsContact O-CG1 3.29Å; Q571-I575 WeakPolarHBondContact O-CG1 3.44Å; Q571-I575 PolarHBondContact O-N 3.24Å; A572-I575 PolarHBondContact O-N 3.18Å; I573-I575 VanDerWaalsContact C-N 3.3Å; I573-I575 PolarHBondContact O-N 3.02Å; I575-V577 VanDerWaalsContact C-N 3.31Å; I575-V577 PolarHBondContact O-N 2.96Å; I575-R578 PolarHBondContact O-N 3.12Å; I575-L579 HydrophobicContact CG2-CD1 3.88Å; I575-L579 HydrophobicContact CG2-CG 4.42Å; I575-L579 WeakPolarHBondContact O-CB 3.41Å; I575-L579 WeakPolarHBondContact O-CG 2.96Å; I575-L579 PolarHBondContact O-N 2.86Å
576	L	85.5	Confident	83.1	Confident	6 Å²	6	43.5 Å²	43.5	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-63.9	-37.2	179.2	-67.3	171.9	0	0	0	112.1	A560 A572 I573 L579 R580 D581 V584 L587 Y610	A560-L576 HydrophobicContact CB-CD1 4.49Å; A560-L576 HydrophobicContact CB-CD2 3.98Å; A560-L576 HydrophobicContact CB-CG 3.92Å; A572-L576 VanDerWaalsContact O-CG 3.32Å; A572-L576 WeakPolarHBondContact O-CG 3.43Å; A572-L576 PolarHBondContact O-N 3.26Å; I573-L576 PolarHBondContact O-N 3.5Å; L576-L579 PolarHBondContact O-N 3.18Å; L576-R580 PolarHBondContact O-N 3.17Å; L576-D581 HydrophobicContact CD2-CB 3.95Å; L576-D581 PolarHBondContact O-N 3.26Å; L576-V584 HydrophobicContact CB-CB 3.94Å; L576-V584 HydrophobicContact CB-CG2 4.12Å; L576-V584 HydrophobicContact CD1-CB 4.39Å; L576-L587 HydrophobicContact CD1-CB 4.42Å; L576-L587 HydrophobicContact CD1-CD1 3.86Å; L576-Y610 PolarHBondContact O-OH 3.32Å
577	V	82.6	Confident	82.8	Confident	14 Å²	14	39.8 Å²	39.8	9%	0.085	21%	0.207	C	C	.	.	H	α-helix	trans	-59	-53.1	173.3	168.8	0	0	0	0	109.3	I573 N574 I575 L579 R580 V584 Y610 F611	I573-V577 HydrophobicContact CG2-CG2 3.93Å; I573-V577 WeakPolarHBondContact O-CB 3.3Å; I573-V577 VanDerWaalsContact O-CG2 3.23Å; I573-V577 WeakPolarHBondContact O-CG2 3.27Å; I573-V577 PolarHBondContact O-N 3.08Å; N574-V577 PolarHBondContact O-N 3.09Å; I575-V577 VanDerWaalsContact C-N 3.31Å; I575-V577 PolarHBondContact O-N 2.96Å; V577-L579 VanDerWaalsContact C-N 3.26Å; V577-L579 PolarHBondContact O-N 2.94Å; V577-R580 PolarHBondContact O-N 3.42Å; V577-V584 HydrophobicContact CG2-CG2 4.14Å; V577-Y610 VanDerWaalsContact CA-OH 3.26Å; V577-Y610 WeakPolarHBondContact CA-OH 3.37Å; V577-Y610 HydrophobicContact CB-CE1 4.17Å; V577-Y610 HydrophobicContact CG1-CD1 3.99Å; V577-Y610 HydrophobicContact CG1-CD2 4.12Å; V577-Y610 HydrophobicContact CG1-CE1 3.97Å; V577-Y610 HydrophobicContact CG1-CE2 4.01Å; V577-Y610 HydrophobicContact CG1-CG 4.1Å; V577-Y610 HydrophobicContact CG2-CD1 4.31Å; V577-Y610 HydrophobicContact CG2-CE1 3.88Å; V577-Y610 WeakPolarHBondContact O-CE2 3.41Å; V577-Y610 PolarHBondContact O-OH 2.98Å; V577-F611 HydrophobicContact CG2-CZ 4.5Å
578	R	82.8	Confident	82.7	Confident	62 Å²	62	38.2 Å²	38.2	23%	0.234	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-32.1	178.9	-71	174.6	66.9	-175	2.7	113.2	S540 I543 L545 N574 I575 R580	S540-R578 PolarHBondContact O-NH2 3.48Å; I543-R578 PolarHBondContact O-NH2 2.89Å; L545-R578 HydrophobicContact CB-CB 4.34Å; L545-R578 HydrophobicContact CD1-CB 3.45Å; L545-R578 VanDerWaalsContact CD1-CB 3.45Å; L545-R578 HydrophobicContact CG-CB 3.91Å; N574-R578 WeakPolarHBondContact O-CB 3.42Å; N574-R578 VanDerWaalsContact O-CG 3.28Å; N574-R578 WeakPolarHBondContact O-CG 3.49Å; N574-R578 PolarHBondContact O-N 3.12Å; N574-R578 WeakPolarHBondContact OD1-CD 3.46Å; I575-R578 PolarHBondContact O-N 3.12Å; R578-R580 VanDerWaalsContact C-N 3.27Å; R578-R580 PolarHBondContact O-N 2.88Å
579	L	83.8	Confident	82.4	Confident	8 Å²	8	43.5 Å²	43.5	4%	0.042	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-7.9	175.3	-75.9	171.1	0	0	0	114.2	L545 Q553 R557 I575 L576 V577 D581	L545-L579 HydrophobicContact CB-CD2 3.87Å; L545-L579 HydrophobicContact CB-CG 4.35Å; L545-L579 HydrophobicContact CD1-CD2 4.23Å; L545-L579 HydrophobicContact CD1-CG 4.04Å; Q553-L579 HydrophobicContact CB-CD2 4.03Å; Q553-L579 HydrophobicContact CG-CD2 4.03Å; R557-L579 HydrophobicContact CG-CD1 3.87Å; I575-L579 HydrophobicContact CG2-CD1 3.88Å; I575-L579 HydrophobicContact CG2-CG 4.42Å; I575-L579 WeakPolarHBondContact O-CB 3.41Å; I575-L579 WeakPolarHBondContact O-CG 2.96Å; I575-L579 PolarHBondContact O-N 2.86Å; L576-L579 PolarHBondContact O-N 3.18Å; V577-L579 VanDerWaalsContact C-N 3.26Å; V577-L579 PolarHBondContact O-N 2.94Å; L579-D581 HydrophobicContact CB-CB 4.21Å; L579-D581 PolarHBondContact O-N 3.49Å
580	R	83.4	Confident	82.1	Confident	130 Å²	130	49.4 Å²	49.4	49%	0.491	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	38.4	-168.4	-73.9	-173	-176.8	-120.8	-2.8	112.1	T546 L576 V577 R578 Y610 E613 L614	T546-R580 HydrophobicContact CG2-CB 3.98Å; T546-R580 HydrophobicContact CG2-CG 3.81Å; L576-R580 PolarHBondContact O-N 3.17Å; V577-R580 PolarHBondContact O-N 3.42Å; R578-R580 VanDerWaalsContact C-N 3.27Å; R578-R580 PolarHBondContact O-N 2.88Å; R580-Y610 VanDerWaalsContact CA-OH 3.26Å; R580-Y610 WeakPolarHBondContact CA-OH 3.49Å; R580-Y610 HydrophobicContact CB-CE2 4.4Å; R580-Y610 HydrophobicContact CG-CD2 4.48Å; R580-Y610 HydrophobicContact CG-CE2 3.71Å; R580-E613 IonicContact CZ-OE2 2.69Å; R580-E613 IonicContact NH1-OE2 3.79Å; R580-E613 PolarHBondContact NH1-OE2 2.66Å; R580-E613 VanDerWaalsContact NH1-OE2 3.16Å; R580-E613 IonicContact NH2-OE2 3.67Å; R580-L614 HydrophobicContact CB-CD1 3.79Å; R580-L614 HydrophobicContact CG-CD1 4.08Å
581	D	81.5	Confident	81.8	Confident	16 Å²	16	44.7 Å²	44.7	9%	0.086	21%	0.207	C	C	.	.			trans	-90.8	125.7	-175.8	-157.7	-56.8	0	0	0	113	R557 L576 L579 E583 V584	R557-D581 IonicContact CZ-OD2 3.23Å; R557-D581 IonicContact NE-OD2 3.81Å; R557-D581 PolarHBondContact NE-OD2 3.13Å; R557-D581 IonicContact NH2-OD2 2.73Å; R557-D581 PolarHBondContact NH2-OD2 3.1Å; L576-D581 HydrophobicContact CD2-CB 3.95Å; L576-D581 PolarHBondContact O-N 3.26Å; L579-D581 HydrophobicContact CB-CB 4.21Å; L579-D581 PolarHBondContact O-N 3.49Å; D581-E583 PolarHBondContact O-N 3.24Å; D581-E583 PolarHBondContact OD1-N 3.15Å; D581-V584 WeakPolarHBondContact O-CG1 3.23Å; D581-V584 PolarHBondContact O-N 3.38Å
582	P	83.3	Confident	81	Confident	73 Å²	73	42.8 Å²	42.8	47%	0.474	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-19	176.9	-20.6	31	0	0	0	115.4	V584 F585 L614	P582-V584 PolarHBondContact O-N 3.04Å; P582-F585 WeakPolarHBondContact O-CD2 3.43Å; P582-F585 PolarHBondContact O-N 2.74Å; P582-L614 HydrophobicContact CB-CD2 4.29Å; P582-L614 HydrophobicContact CG-CD2 4.27Å
583	E	80.7	Confident	79.9	Confident	64 Å²	64	49.4 Å²	49.4	30%	0.299	24%	0.239	S	C	.	.	H	α-helix	trans	-61.8	-20.8	177.1	-91.1	-136.7	149.6	0	0	112.8	D581 F585 T586 L587	D581-E583 PolarHBondContact O-N 3.24Å; D581-E583 PolarHBondContact OD1-N 3.15Å; E583-F585 PolarHBondContact O-N 3.37Å; E583-F585 VanDerWaalsContact O-N 3.1Å; E583-T586 WeakPolarHBondContact O-CA 3.47Å; E583-T586 WeakPolarHBondContact O-CB 3.48Å; E583-T586 PolarHBondContact O-N 3.09Å; E583-T586 PolarHBondContact O-OG1 3.28Å; E583-L587 PolarHBondContact O-N 2.87Å
584	V	83.9	Confident	78.8	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-52.5	-37.8	177	74.4	0	0	0	0	112.2	I573 L576 V577 D581 P582 T586 L587 V588 F611	I573-V584 HydrophobicContact CG2-CG2 3.94Å; L576-V584 HydrophobicContact CB-CB 3.94Å; L576-V584 HydrophobicContact CB-CG2 4.12Å; L576-V584 HydrophobicContact CD1-CB 4.39Å; V577-V584 HydrophobicContact CG2-CG2 4.14Å; D581-V584 WeakPolarHBondContact O-CG1 3.23Å; D581-V584 PolarHBondContact O-N 3.38Å; P582-V584 PolarHBondContact O-N 3.04Å; V584-T586 VanDerWaalsContact C-N 3.32Å; V584-T586 PolarHBondContact O-N 3.43Å; V584-L587 PolarHBondContact O-N 3.16Å; V584-V588 WeakPolarHBondContact O-CB 3.3Å; V584-V588 VanDerWaalsContact O-CG2 3.28Å; V584-V588 WeakPolarHBondContact O-CG2 3.47Å; V584-V588 PolarHBondContact O-N 2.94Å; V584-F611 HydrophobicContact CG1-CD1 4.41Å; V584-F611 HydrophobicContact CG1-CE1 3.79Å; V584-F611 HydrophobicContact CG2-CE1 4.16Å; V584-F611 HydrophobicContact CG2-CZ 4.29Å
585	F	82.2	Confident	77.6	Confident	10 Å²	10	53.3 Å²	53.3	4%	0.044	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-36.6	177.2	-69.3	-75.8	0	0	0	112.2	P582 E583 K589 F611 L614 N615 K618 A619 M622	P582-F585 WeakPolarHBondContact O-CD2 3.43Å; P582-F585 PolarHBondContact O-N 2.74Å; E583-F585 PolarHBondContact O-N 3.37Å; E583-F585 VanDerWaalsContact O-N 3.1Å; F585-K589 VanDerWaalsContact O-CB 3.24Å; F585-K589 WeakPolarHBondContact O-CB 3.47Å; F585-K589 PolarHBondContact O-N 3.4Å; F585-F611 HydrophobicContact CD1-CD1 4.22Å; F585-F611 HydrophobicContact CE1-CB 4.49Å; F585-F611 AromaticContact CE1-CD1 3.56Å; F585-F611 HydrophobicContact CE1-CD1 3.56Å; F585-F611 HydrophobicContact CE1-CE1 4.28Å; F585-F611 HydrophobicContact CE1-CG 4.48Å; F585-F611 HydrophobicContact CZ-CB 4.43Å; F585-F611 AromaticContact CZ-CD1 3.74Å; F585-F611 HydrophobicContact CZ-CD1 3.74Å; F585-L614 HydrophobicContact CD2-CD2 4.42Å; F585-L614 HydrophobicContact CE2-CB 4.23Å; F585-L614 HydrophobicContact CE2-CD2 3.79Å; F585-N615 HydrophobicContact CD2-CB 4.44Å; F585-N615 HydrophobicContact CE2-CB 3.61Å; F585-N615 HydrophobicContact CZ-CB 3.8Å; F585-K618 HydrophobicContact CB-CD 4.13Å; F585-K618 HydrophobicContact CD1-CB 3.71Å; F585-K618 HydrophobicContact CD1-CD 4.46Å; F585-K618 HydrophobicContact CD2-CB 4.49Å; F585-K618 HydrophobicContact CD2-CD 4.12Å; F585-K618 HydrophobicContact CE1-CB 3.76Å; F585-K618 HydrophobicContact CG-CB 4.09Å; F585-K618 HydrophobicContact CG-CD 4Å; F585-K618 HydrophobicContact CZ-CB 4.18Å; F585-A619 HydrophobicContact CE1-CB 4.09Å; F585-A619 HydrophobicContact CZ-CB 4.32Å; F585-M622 HydrophobicContact CD1-SD 3.8Å; F585-M622 HydrophobicContact CE1-SD 4.46Å
586	T	82.1	Confident	76.5	Confident	48 Å²	48	59.6 Å²	59.6	29%	0.294	28%	0.28	S	S	.	.	H	α-helix	trans	-73.4	-40.3	179.5	66.2	0	0	0	0	111.4	E583 V584 K589 R590	E583-T586 WeakPolarHBondContact O-CA 3.47Å; E583-T586 WeakPolarHBondContact O-CB 3.48Å; E583-T586 PolarHBondContact O-N 3.09Å; E583-T586 PolarHBondContact O-OG1 3.28Å; V584-T586 VanDerWaalsContact C-N 3.32Å; V584-T586 PolarHBondContact O-N 3.43Å; T586-K589 PolarHBondContact O-N 3.5Å; T586-R590 WeakPolarHBondContact O-CB 3.45Å; T586-R590 WeakPolarHBondContact O-CG 3.37Å; T586-R590 PolarHBondContact O-N 3.12Å
587	L	79.5	Confident	75.5	Confident	3 Å²	3	62.7 Å²	62.7	2%	0.016	30%	0.296	C	S	.	.	H	α-helix	trans	-65.6	-45.8	177.6	-172.6	151.2	0	0	0	111	E564 A572 I573 L576 E583 V584 R590 N591	E564-L587 HydrophobicContact CB-CD1 3.99Å; E564-L587 HydrophobicContact CG-CD1 3.88Å; E564-L587 HydrophobicContact CG-CG 4.28Å; A572-L587 HydrophobicContact CB-CD1 3.98Å; I573-L587 HydrophobicContact CD1-CD2 4.03Å; I573-L587 HydrophobicContact CG1-CD2 3.55Å; L576-L587 HydrophobicContact CD1-CB 4.42Å; L576-L587 HydrophobicContact CD1-CD1 3.86Å; E583-L587 PolarHBondContact O-N 2.87Å; V584-L587 PolarHBondContact O-N 3.16Å; L587-R590 PolarHBondContact O-N 2.96Å; L587-N591 WeakPolarHBondContact O-CB 3.32Å; L587-N591 PolarHBondContact O-N 3.45Å; L587-N591 VanDerWaalsContact O-N 3.13Å; L587-N591 PolarHBondContact O-ND2 3.01Å; L587-N591 VanDerWaalsContact O-ND2 3.09Å
588	V	78.1	Confident	74.9	Confident	3 Å²	3	71.5 Å²	71.5	2%	0.018	33%	0.328	C	S	.	.	H	α-helix	trans	-58.3	-50.3	174.1	164.7	0	0	0	0	110.5	I573 V584 R590 N591 I592 L600 M622	I573-V588 HydrophobicContact CD1-CG2 4Å; I573-V588 HydrophobicContact CG1-CG2 4.32Å; V584-V588 WeakPolarHBondContact O-CB 3.3Å; V584-V588 VanDerWaalsContact O-CG2 3.28Å; V584-V588 WeakPolarHBondContact O-CG2 3.47Å; V584-V588 PolarHBondContact O-N 2.94Å; V588-R590 PolarHBondContact O-N 3.3Å; V588-N591 PolarHBondContact O-N 3.29Å; V588-I592 VanDerWaalsContact O-CG1 3.28Å; V588-I592 WeakPolarHBondContact O-CG1 3.39Å; V588-I592 PolarHBondContact O-N 2.67Å; V588-L600 HydrophobicContact CB-CD1 4.3Å; V588-L600 HydrophobicContact CG1-CD1 3.46Å; V588-L600 VanDerWaalsContact CG1-CD1 3.46Å; V588-L600 HydrophobicContact CG1-CD2 3.84Å; V588-L600 HydrophobicContact CG1-CG 4Å; V588-L600 HydrophobicContact CG2-CD1 4.3Å; V588-M622 HydrophobicContact CB-CE 4.13Å; V588-M622 HydrophobicContact CB-SD 4.4Å; V588-M622 HydrophobicContact CG1-CE 3.26Å; V588-M622 HydrophobicContact CG1-SD 3.79Å
589	K	78.3	Confident	74.3	Confident	160 Å²	160	74.9 Å²	74.9	70%	0.696	34%	0.341	S	S	*	.	H	α-helix	trans	-62.6	-38.3	-177.6	-172.4	176.4	-178.1	178.9	0	113.3	F585 T586 N591 I592	F585-K589 VanDerWaalsContact O-CB 3.24Å; F585-K589 WeakPolarHBondContact O-CB 3.47Å; F585-K589 PolarHBondContact O-N 3.4Å; T586-K589 PolarHBondContact O-N 3.5Å; K589-N591 VanDerWaalsContact C-N 3.35Å; K589-I592 HydrophobicContact CG-CD1 4.38Å; K589-I592 WeakPolarHBondContact O-CD1 3.49Å; K589-I592 WeakPolarHBondContact O-CG1 3.48Å
590	R	76.2	Confident	73.7	Confident	145 Å²	145	74.6 Å²	74.6	55%	0.547	34%	0.339	S	S	.	.	H	α-helix	trans	-69.1	-34.3	177.9	-77.5	178.8	179.4	149.2	3.7	112.5	T586 L587 V588	T586-R590 WeakPolarHBondContact O-CB 3.45Å; T586-R590 WeakPolarHBondContact O-CG 3.37Å; T586-R590 PolarHBondContact O-N 3.12Å; L587-R590 PolarHBondContact O-N 2.96Å; V588-R590 PolarHBondContact O-N 3.3Å
591	N	71.3	Confident	73.2	Confident	12 Å²	12	68.5 Å²	68.5	6%	0.064	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	15.5	-170.8	-66.7	-60.3	0	0	0	114	F569 L587 V588 K589 V593 K594 L595	F569-N591 HydrophobicContact CD1-CB 4.17Å; F569-N591 HydrophobicContact CE1-CB 4.19Å; F569-N591 WeakPolarHBondContact CE1-ND2 3.44Å; F569-N591 WeakPolarHBondContact CE1-OD1 3.35Å; L587-N591 WeakPolarHBondContact O-CB 3.32Å; L587-N591 PolarHBondContact O-N 3.45Å; L587-N591 VanDerWaalsContact O-N 3.13Å; L587-N591 PolarHBondContact O-ND2 3.01Å; L587-N591 VanDerWaalsContact O-ND2 3.09Å; V588-N591 PolarHBondContact O-N 3.29Å; K589-N591 VanDerWaalsContact C-N 3.35Å; N591-V593 PolarHBondContact O-N 2.8Å; N591-V593 VanDerWaalsContact O-N 3.13Å; N591-K594 PolarHBondContact O-N 2.97Å; N591-L595 HydrophobicContact CB-CD1 3.83Å; N591-L595 WeakPolarHBondContact O-CB 3.46Å; N591-L595 PolarHBondContact O-N 3.04Å
592	I	67.8	Low	73.1	Confident	54 Å²	54	71.7 Å²	71.7	28%	0.277	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-39.4	177.2	-63	172.7	0	0	0	111.9	V588 K589	V588-I592 VanDerWaalsContact O-CG1 3.28Å; V588-I592 WeakPolarHBondContact O-CG1 3.39Å; V588-I592 PolarHBondContact O-N 2.67Å; K589-I592 HydrophobicContact CG-CD1 4.38Å; K589-I592 WeakPolarHBondContact O-CD1 3.49Å; K589-I592 WeakPolarHBondContact O-CG1 3.48Å
593	V	62.8	Low	72.7	Confident	139 Å²	139	69.4 Å²	69.4	84%	0.842	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-33.9	-179	-176.9	0	0	0	0	112.2	N591	N591-V593 PolarHBondContact O-N 2.8Å; N591-V593 VanDerWaalsContact O-N 3.13Å
594	K	61.1	Low	72.5	Confident	149 Å²	149	66.6 Å²	66.6	65%	0.648	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-40.1	-177.2	-67	-175.6	-178.7	176.4	0	111.6	F569 N591 K596	F569-K594 HydrophobicContact CD2-CB 4.49Å; F569-K594 HydrophobicContact CE2-CB 3.87Å; F569-K594 HydrophobicContact CE2-CD 3.69Å; F569-K594 HydrophobicContact CE2-CG 4.44Å; F569-K594 HydrophobicContact CZ-CB 4.39Å; F569-K594 HydrophobicContact CZ-CD 3.49Å; F569-K594 VanDerWaalsContact CZ-CD 3.49Å; N591-K594 PolarHBondContact O-N 2.97Å; K594-K596 PolarHBondContact O-N 3.01Å; K594-K596 VanDerWaalsContact O-N 3.14Å
595	L	57.9	Low	72.3	Confident	9 Å²	9	69.5 Å²	69.5	5%	0.047	32%	0.317	C	S	.	.	S	Bend	trans	-77.9	91.1	169.8	-72.4	152.6	0	0	0	107.1	F569 I573 N591 D597 L600	F569-L595 HydrophobicContact CB-CD1 4.15Å; F569-L595 HydrophobicContact CB-CD2 3.97Å; F569-L595 HydrophobicContact CB-CG 4.19Å; F569-L595 HydrophobicContact CD2-CG 4.47Å; F569-L595 HydrophobicContact CG-CG 4.49Å; I573-L595 HydrophobicContact CD1-CD1 4.02Å; N591-L595 HydrophobicContact CB-CD1 3.83Å; N591-L595 WeakPolarHBondContact O-CB 3.46Å; N591-L595 PolarHBondContact O-N 3.04Å; L595-D597 PolarHBondContact O-N 3.35Å; L595-L600 HydrophobicContact CB-CD1 3.99Å; L595-L600 HydrophobicContact CD1-CD1 3.7Å; L595-L600 HydrophobicContact CG-CD1 4.37Å
596	K	61.3	Low	72.1	Confident	146 Å²	146	74.9 Å²	74.9	64%	0.635	35%	0.346	S	S	*	.			trans	-37.3	121.8	173.3	-66.8	-177	179	-177.4	0	109	K594 R598 R599	K594-K596 PolarHBondContact O-N 3.01Å; K594-K596 VanDerWaalsContact O-N 3.14Å; K596-R598 CarbonylContact O-C 3.58Å; K596-R598 PolarHBondContact O-N 2.86Å; K596-R599 PolarHBondContact O-N 2.98Å
597	D	65.3	Low	71.9	Confident	72 Å²	72	75.9 Å²	75.9	39%	0.385	35%	0.347	S	S	.	.	H	α-helix	trans	-41.6	-39.2	-166.1	-75.3	-41.3	0	0	0	113.9	L595 R599 L600 V601 H626	L595-D597 PolarHBondContact O-N 3.35Å; D597-R599 PolarHBondContact O-N 3.18Å; D597-L600 WeakPolarHBondContact O-CB 3.41Å; D597-L600 PolarHBondContact O-N 3.33Å; D597-V601 WeakPolarHBondContact O-CG2 3.34Å; D597-V601 PolarHBondContact O-N 2.84Å; D597-H626 IonicContact OD1-CE1 2.69Å; D597-H626 PolarHBondContact OD1-CE1 3.31Å
598	R	68.9	Low	72	Confident	199 Å²	199	76 Å²	76	75%	0.751	35%	0.348	S	S	*	.	H	α-helix	trans	-54.5	-46.9	176.4	-72.9	-168.9	174.8	-167.5	-1.6	114.5	K596 L600 V601 D602	K596-R598 CarbonylContact O-C 3.58Å; K596-R598 PolarHBondContact O-N 2.86Å; R598-L600 VanDerWaalsContact C-N 3.31Å; R598-L600 PolarHBondContact O-N 3.21Å; R598-V601 WeakPolarHBondContact O-CB 3.47Å; R598-V601 PolarHBondContact O-N 2.8Å; R598-D602 VanDerWaalsContact O-CG 3.23Å; R598-D602 PolarHBondContact O-N 2.89Å
599	R	71.3	Confident	72	Confident	132 Å²	132	79.7 Å²	79.7	50%	0.498	37%	0.367	S	S	.	.	H	α-helix	trans	-68.6	-34.1	-178.4	-64.9	-173.5	-169.6	173.6	0.1	111.8	K596 D597 V601 D602 I603	K596-R599 PolarHBondContact O-N 2.98Å; D597-R599 PolarHBondContact O-N 3.18Å; R599-V601 VanDerWaalsContact C-N 3.32Å; R599-D602 PolarHBondContact O-N 3.19Å; R599-I603 WeakPolarHBondContact O-CG1 3.24Å; R599-I603 PolarHBondContact O-N 3.34Å; R599-I603 VanDerWaalsContact O-N 3.16Å
600	L	70.6	Confident	72	Confident	2 Å²	2	73.3 Å²	73.3	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-62.4	-44.5	173.1	-163	92.7	0	0	0	111	V588 L595 D597 R598 D602 I603 L604 H626	V588-L600 HydrophobicContact CB-CD1 4.3Å; V588-L600 HydrophobicContact CG1-CD1 3.46Å; V588-L600 VanDerWaalsContact CG1-CD1 3.46Å; V588-L600 HydrophobicContact CG1-CD2 3.84Å; V588-L600 HydrophobicContact CG1-CG 4Å; V588-L600 HydrophobicContact CG2-CD1 4.3Å; L595-L600 HydrophobicContact CB-CD1 3.99Å; L595-L600 HydrophobicContact CD1-CD1 3.7Å; L595-L600 HydrophobicContact CG-CD1 4.37Å; D597-L600 WeakPolarHBondContact O-CB 3.41Å; D597-L600 PolarHBondContact O-N 3.33Å; R598-L600 VanDerWaalsContact C-N 3.31Å; R598-L600 PolarHBondContact O-N 3.21Å; L600-D602 VanDerWaalsContact C-N 3.31Å; L600-D602 PolarHBondContact O-N 2.98Å; L600-I603 PolarHBondContact O-N 3.17Å; L600-L604 HydrophobicContact CD2-CD1 4.05Å; L600-L604 HydrophobicContact CG-CD1 4.38Å; L600-L604 WeakPolarHBondContact O-CG 3.33Å; L600-L604 PolarHBondContact O-N 3.46Å; L600-H626 WeakPolarHBondContact CD2-NE2 3.32Å
601	V	72.5	Confident	72.3	Confident	3 Å²	3	66.6 Å²	66.6	2%	0.018	31%	0.313	C	S	.	.	H	α-helix	trans	-63.7	-38.3	178.7	168.4	0	0	0	0	111.3	D597 R598 R599 L604 K605 H626 Q629 V630	D597-V601 WeakPolarHBondContact O-CG2 3.34Å; D597-V601 PolarHBondContact O-N 2.84Å; R598-V601 WeakPolarHBondContact O-CB 3.47Å; R598-V601 PolarHBondContact O-N 2.8Å; R599-V601 VanDerWaalsContact C-N 3.32Å; V601-L604 PolarHBondContact O-N 2.98Å; V601-K605 HydrophobicContact CG1-CD 4.01Å; V601-K605 VanDerWaalsContact CG1-CE 3.5Å; V601-K605 HydrophobicContact CG1-CG 4.35Å; V601-K605 WeakPolarHBondContact O-CB 3.29Å; V601-K605 VanDerWaalsContact O-CG 3.28Å; V601-K605 WeakPolarHBondContact O-CG 3.46Å; V601-K605 PolarHBondContact O-N 2.8Å; V601-H626 HydrophobicContact CG2-CB 3.97Å; V601-Q629 HydrophobicContact CG1-CB 4.14Å; V601-Q629 HydrophobicContact CG2-CB 3.95Å; V601-V630 HydrophobicContact CG1-CG2 3.63Å
602	D	79.1	Confident	72.7	Confident	83 Å²	83	66 Å²	66	44%	0.444	31%	0.31	S	S	.	.	H	α-helix	trans	-62.9	-47.7	176.2	-62.9	-29	0	0	0	110.9	R598 R599 L600 L604 K605 D606	R598-D602 VanDerWaalsContact O-CG 3.23Å; R598-D602 PolarHBondContact O-N 2.89Å; R599-D602 PolarHBondContact O-N 3.19Å; L600-D602 VanDerWaalsContact C-N 3.31Å; L600-D602 PolarHBondContact O-N 2.98Å; D602-L604 VanDerWaalsContact C-N 3.31Å; D602-L604 PolarHBondContact O-N 2.96Å; D602-K605 WeakPolarHBondContact O-CB 3.38Å; D602-K605 PolarHBondContact O-N 3.23Å; D602-K605 VanDerWaalsContact O-N 3.11Å; D602-D606 VanDerWaalsContact O-CG 3.3Å; D602-D606 PolarHBondContact O-N 2.95Å
603	I	76.3	Confident	73.4	Confident	25 Å²	25	68.8 Å²	68.8	13%	0.128	32%	0.322	C	S	.	.	H	α-helix	trans	-59.6	-41.5	175.5	-64	166.9	0	0	0	111.6	E570 I573 R599 L600 D606 H607	E570-I603 HydrophobicContact CG-CD1 4.32Å; I573-I603 HydrophobicContact CD1-CD1 4.11Å; I573-I603 HydrophobicContact CG2-CG2 3.87Å; R599-I603 WeakPolarHBondContact O-CG1 3.24Å; R599-I603 PolarHBondContact O-N 3.34Å; R599-I603 VanDerWaalsContact O-N 3.16Å; L600-I603 PolarHBondContact O-N 3.17Å; I603-D606 PolarHBondContact O-N 2.9Å; I603-H607 PolarHBondContact O-N 2.96Å; I603-H607 VanDerWaalsContact O-N 3.1Å
604	L	76.3	Confident	74.2	Confident	5 Å²	5	64.1 Å²	64.1	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-66.3	-36.7	176.9	-81	167.1	0	0	0	112.7	L600 V601 D602 L608 F611 M622	L600-L604 HydrophobicContact CD2-CD1 4.05Å; L600-L604 HydrophobicContact CG-CD1 4.38Å; L600-L604 WeakPolarHBondContact O-CG 3.33Å; L600-L604 PolarHBondContact O-N 3.46Å; V601-L604 PolarHBondContact O-N 2.98Å; D602-L604 VanDerWaalsContact C-N 3.31Å; D602-L604 PolarHBondContact O-N 2.96Å; L604-L608 WeakPolarHBondContact O-CA 3.5Å; L604-L608 WeakPolarHBondContact O-CB 3.5Å; L604-L608 PolarHBondContact O-N 2.96Å; L604-F611 HydrophobicContact CD2-CD1 4.42Å; L604-F611 HydrophobicContact CD2-CD2 3.69Å; L604-F611 HydrophobicContact CD2-CE1 4.43Å; L604-F611 HydrophobicContact CD2-CE2 3.73Å; L604-F611 HydrophobicContact CD2-CG 4.07Å; L604-F611 HydrophobicContact CD2-CZ 4.11Å; L604-M622 HydrophobicContact CD1-CE 3.65Å; L604-M622 HydrophobicContact CD2-CE 3.35Å; L604-M622 HydrophobicContact CG-CE 3.89Å
605	K	78.9	Confident	75.3	Confident	60 Å²	60	59.4 Å²	59.4	26%	0.261	27%	0.274	S	S	.	.	H	α-helix	trans	-68.4	-42.7	176.5	-78.2	174.9	-179.2	172.3	0	111.2	V601 D602 H607 Q629 Y634	V601-K605 HydrophobicContact CG1-CD 4.01Å; V601-K605 VanDerWaalsContact CG1-CE 3.5Å; V601-K605 HydrophobicContact CG1-CG 4.35Å; V601-K605 WeakPolarHBondContact O-CB 3.29Å; V601-K605 VanDerWaalsContact O-CG 3.28Å; V601-K605 WeakPolarHBondContact O-CG 3.46Å; V601-K605 PolarHBondContact O-N 2.8Å; D602-K605 WeakPolarHBondContact O-CB 3.38Å; D602-K605 PolarHBondContact O-N 3.23Å; D602-K605 VanDerWaalsContact O-N 3.11Å; K605-H607 VanDerWaalsContact C-N 3.29Å; K605-H607 PolarHBondContact O-N 3.25Å; K605-Q629 PolarHBondContact NZ-O 3.03Å; K605-Y634 HydrophobicContact CB-CE1 4.27Å; K605-Y634 HydrophobicContact CG-CE1 3.94Å
606	D	79.4	Confident	76.5	Confident	124 Å²	124	60.4 Å²	60.4	66%	0.663	28%	0.28	S	S	*	.	H	α-helix	trans	-69.3	-28.8	-178.1	-70.2	-14	0	0	0	112.3	D602 I603	D602-D606 VanDerWaalsContact O-CG 3.3Å; D602-D606 PolarHBondContact O-N 2.95Å; I603-D606 PolarHBondContact O-N 2.9Å
607	H	77.2	Confident	77.7	Confident	68 Å²	68	58.1 Å²	58.1	32%	0.315	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	25.1	-176.9	-57.3	-45.2	0	0	0	113.8	I603 K605 I609 Y610 F611	I603-H607 PolarHBondContact O-N 2.96Å; I603-H607 VanDerWaalsContact O-N 3.1Å; K605-H607 VanDerWaalsContact C-N 3.29Å; K605-H607 PolarHBondContact O-N 3.25Å; H607-I609 VanDerWaalsContact C-N 3.35Å; H607-I609 PolarHBondContact O-N 3.14Å; H607-Y610 WeakPolarHBondContact O-CB 3.45Å; H607-Y610 PolarHBondContact O-N 3.36Å; H607-Y610 VanDerWaalsContact O-N 3.08Å; H607-F611 HydrophobicContact CB-CD2 4.01Å; H607-F611 HydrophobicContact CB-CE2 3.93Å; H607-F611 VanDerWaalsContact O-CD2 3.29Å; H607-F611 WeakPolarHBondContact O-CD2 3.46Å; H607-F611 PolarHBondContact O-N 3.33Å
608	L	80.5	Confident	78.5	Confident	7 Å²	7	59.2 Å²	59.2	4%	0.037	28%	0.28	C	S	.	.	H	α-helix	trans	-52.1	-50	-174.4	-177.4	73.2	0	0	0	112.8	L604 Y610 F611 M612 L623 V635 Q638	L604-L608 WeakPolarHBondContact O-CA 3.5Å; L604-L608 WeakPolarHBondContact O-CB 3.5Å; L604-L608 PolarHBondContact O-N 2.96Å; L608-Y610 VanDerWaalsContact C-N 3.31Å; L608-Y610 PolarHBondContact O-N 3.05Å; L608-F611 PolarHBondContact O-N 3.39Å; L608-M612 VanDerWaalsContact O-CG 3.25Å; L608-M612 WeakPolarHBondContact O-CG 3.42Å; L608-M612 PolarHBondContact O-N 2.98Å; L608-L623 HydrophobicContact CD1-CD1 3.54Å; L608-L623 HydrophobicContact CD1-CD2 3.61Å; L608-L623 HydrophobicContact CD1-CG 4.15Å; L608-V635 HydrophobicContact CD2-CG1 4.31Å; L608-Q638 HydrophobicContact CD2-CB 3.82Å; L608-Q638 HydrophobicContact CD2-CG 4.27Å
609	I	78.2	Confident	79.3	Confident	79 Å²	79	49.8 Å²	49.8	41%	0.405	25%	0.245	S	C	.	.	H	α-helix	trans	-62.4	-42.9	-178.4	-61.9	173.2	0	0	0	110.2	H607 F611 M612 E613	H607-I609 VanDerWaalsContact C-N 3.35Å; H607-I609 PolarHBondContact O-N 3.14Å; I609-F611 PolarHBondContact O-N 3.12Å; I609-M612 PolarHBondContact O-N 3.09Å; I609-E613 HydrophobicContact CG2-CG 4.32Å; I609-E613 WeakPolarHBondContact O-CB 3.26Å; I609-E613 WeakPolarHBondContact O-CG 3.48Å; I609-E613 PolarHBondContact O-N 3.36Å
610	Y	79	Confident	80	Confident	27 Å²	27	43.7 Å²	43.7	11%	0.106	22%	0.222	C	C	.	.	H	α-helix	trans	-58.6	-49.7	177.2	164.8	-86	0	0	0	111.8	L576 V577 R580 H607 L608 M612 E613 L614	L576-Y610 PolarHBondContact O-OH 3.32Å; V577-Y610 VanDerWaalsContact CA-OH 3.26Å; V577-Y610 WeakPolarHBondContact CA-OH 3.37Å; V577-Y610 HydrophobicContact CB-CE1 4.17Å; V577-Y610 HydrophobicContact CG1-CD1 3.99Å; V577-Y610 HydrophobicContact CG1-CD2 4.12Å; V577-Y610 HydrophobicContact CG1-CE1 3.97Å; V577-Y610 HydrophobicContact CG1-CE2 4.01Å; V577-Y610 HydrophobicContact CG1-CG 4.1Å; V577-Y610 HydrophobicContact CG2-CD1 4.31Å; V577-Y610 HydrophobicContact CG2-CE1 3.88Å; V577-Y610 WeakPolarHBondContact O-CE2 3.41Å; V577-Y610 PolarHBondContact O-OH 2.98Å; R580-Y610 VanDerWaalsContact CA-OH 3.26Å; R580-Y610 WeakPolarHBondContact CA-OH 3.49Å; R580-Y610 HydrophobicContact CB-CE2 4.4Å; R580-Y610 HydrophobicContact CG-CD2 4.48Å; R580-Y610 HydrophobicContact CG-CE2 3.71Å; H607-Y610 WeakPolarHBondContact O-CB 3.45Å; H607-Y610 PolarHBondContact O-N 3.36Å; H607-Y610 VanDerWaalsContact O-N 3.08Å; L608-Y610 VanDerWaalsContact C-N 3.31Å; L608-Y610 PolarHBondContact O-N 3.05Å; Y610-M612 VanDerWaalsContact C-N 3.28Å; Y610-M612 PolarHBondContact O-N 3.12Å; Y610-E613 PolarHBondContact O-N 3.49Å; Y610-L614 HydrophobicContact CE1-CD1 4.26Å; Y610-L614 HydrophobicContact CE2-CD1 3.78Å; Y610-L614 WeakPolarHBondContact O-CB 2.83Å; Y610-L614 PolarHBondContact O-N 3.33Å; Y610-L614 WeakPolarHBondContact OH-CD1 3.49Å
611	F	81.8	Confident	80.6	Confident	3 Å²	3	47.5 Å²	47.5	1%	0.013	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-40.5	179.8	-79.7	-75	0	0	0	111.1	V577 V584 F585 L604 H607 L608 I609 L614 N615 A619	V577-F611 HydrophobicContact CG2-CZ 4.5Å; V584-F611 HydrophobicContact CG1-CD1 4.41Å; V584-F611 HydrophobicContact CG1-CE1 3.79Å; V584-F611 HydrophobicContact CG2-CE1 4.16Å; V584-F611 HydrophobicContact CG2-CZ 4.29Å; F585-F611 HydrophobicContact CD1-CD1 4.22Å; F585-F611 HydrophobicContact CE1-CB 4.49Å; F585-F611 AromaticContact CE1-CD1 3.56Å; F585-F611 HydrophobicContact CE1-CD1 3.56Å; F585-F611 HydrophobicContact CE1-CE1 4.28Å; F585-F611 HydrophobicContact CE1-CG 4.48Å; F585-F611 HydrophobicContact CZ-CB 4.43Å; F585-F611 AromaticContact CZ-CD1 3.74Å; F585-F611 HydrophobicContact CZ-CD1 3.74Å; L604-F611 HydrophobicContact CD2-CD1 4.42Å; L604-F611 HydrophobicContact CD2-CD2 3.69Å; L604-F611 HydrophobicContact CD2-CE1 4.43Å; L604-F611 HydrophobicContact CD2-CE2 3.73Å; L604-F611 HydrophobicContact CD2-CG 4.07Å; L604-F611 HydrophobicContact CD2-CZ 4.11Å; H607-F611 HydrophobicContact CB-CD2 4.01Å; H607-F611 HydrophobicContact CB-CE2 3.93Å; H607-F611 VanDerWaalsContact O-CD2 3.29Å; H607-F611 WeakPolarHBondContact O-CD2 3.46Å; H607-F611 PolarHBondContact O-N 3.33Å; L608-F611 PolarHBondContact O-N 3.39Å; I609-F611 PolarHBondContact O-N 3.12Å; F611-L614 PolarHBondContact O-N 3.1Å; F611-N615 CarbonylContact O-C 3.47Å; F611-N615 PolarHBondContact O-N 3.09Å; F611-A619 HydrophobicContact CB-CB 3.83Å; F611-A619 WeakPolarHBondContact O-CB 3.28Å
612	M	80.8	Confident	81	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.6	-39.6	178.5	-69	-65.1	-129.4	0	0	112.8	L608 I609 Y610 T616 A619 I620 L623 L639 L645 F649	L608-M612 VanDerWaalsContact O-CG 3.25Å; L608-M612 WeakPolarHBondContact O-CG 3.42Å; L608-M612 PolarHBondContact O-N 2.98Å; I609-M612 PolarHBondContact O-N 3.09Å; Y610-M612 VanDerWaalsContact C-N 3.28Å; Y610-M612 PolarHBondContact O-N 3.12Å; M612-T616 WeakPolarHBondContact O-CA 3.21Å; M612-T616 PolarHBondContact O-N 2.83Å; M612-T616 PolarHBondContact O-OG1 2.78Å; M612-T616 HydrophobicContact SD-CG2 4.03Å; M612-A619 HydrophobicContact CG-CB 4.36Å; M612-A619 HydrophobicContact SD-CB 3.69Å; M612-I620 HydrophobicContact CE-CD1 4.43Å; M612-I620 HydrophobicContact CE-CG1 3.69Å; M612-I620 HydrophobicContact SD-CG1 3.83Å; M612-L623 HydrophobicContact CE-CD1 3.81Å; M612-L623 HydrophobicContact SD-CD1 4.24Å; M612-L639 HydrophobicContact CE-CD1 3.65Å; M612-L645 HydrophobicContact CB-CD1 4.24Å; M612-L645 HydrophobicContact CB-CD2 4.4Å; M612-F649 HydrophobicContact CE-CB 4.35Å; M612-F649 HydrophobicContact CE-CD2 4.25Å
613	E	81.8	Confident	81.1	Confident	112 Å²	112	44.5 Å²	44.5	52%	0.523	23%	0.226	S	C	.	.	H	α-helix	trans	-65.8	-40	173.6	-77.5	-177.2	-174.6	0	0	111.9	R580 I609 Y610	R580-E613 IonicContact CZ-OE2 2.69Å; R580-E613 IonicContact NH1-OE2 3.79Å; R580-E613 PolarHBondContact NH1-OE2 2.66Å; R580-E613 VanDerWaalsContact NH1-OE2 3.16Å; R580-E613 IonicContact NH2-OE2 3.67Å; I609-E613 HydrophobicContact CG2-CG 4.32Å; I609-E613 WeakPolarHBondContact O-CB 3.26Å; I609-E613 WeakPolarHBondContact O-CG 3.48Å; I609-E613 PolarHBondContact O-N 3.36Å; Y610-E613 PolarHBondContact O-N 3.49Å
614	L	80.9	Confident	81.3	Confident	42 Å²	42	43.4 Å²	43.4	22%	0.22	22%	0.221	C	C	.	.	H	α-helix	trans	-72	-48.3	-174.9	-144.7	102.4	0	0	0	112.3	R580 P582 F585 Y610 F611	R580-L614 HydrophobicContact CB-CD1 3.79Å; R580-L614 HydrophobicContact CG-CD1 4.08Å; P582-L614 HydrophobicContact CB-CD2 4.29Å; P582-L614 HydrophobicContact CG-CD2 4.27Å; F585-L614 HydrophobicContact CD2-CD2 4.42Å; F585-L614 HydrophobicContact CE2-CB 4.23Å; F585-L614 HydrophobicContact CE2-CD2 3.79Å; Y610-L614 HydrophobicContact CE1-CD1 4.26Å; Y610-L614 HydrophobicContact CE2-CD1 3.78Å; Y610-L614 WeakPolarHBondContact O-CB 2.83Å; Y610-L614 PolarHBondContact O-N 3.33Å; Y610-L614 WeakPolarHBondContact OH-CD1 3.49Å; F611-L614 PolarHBondContact O-N 3.1Å
615	N	83.3	Confident	81.5	Confident	49 Å²	49	47.5 Å²	47.5	26%	0.262	24%	0.242	S	C	.	.			trans	-158.1	95.4	176.7	-167.5	-59.6	0	0	0	110.4	F585 F611 T617 K618 A619	F585-N615 HydrophobicContact CD2-CB 4.44Å; F585-N615 HydrophobicContact CE2-CB 3.61Å; F585-N615 HydrophobicContact CZ-CB 3.8Å; F611-N615 CarbonylContact O-C 3.47Å; F611-N615 PolarHBondContact O-N 3.09Å; N615-T617 VanDerWaalsContact C-N 3.31Å; N615-T617 PolarHBondContact O-N 3.33Å; N615-T617 PolarHBondContact OD1-N 2.92Å; N615-T617 PolarHBondContact OD1-OG1 3.48Å; N615-K618 HydrophobicContact CB-CB 4.2Å; N615-K618 HydrophobicContact CB-CD 4.42Å; N615-K618 PolarHBondContact O-N 2.91Å; N615-K618 WeakPolarHBondContact OD1-CB 3.44Å; N615-K618 WeakPolarHBondContact OD1-CG 3.49Å; N615-K618 PolarHBondContact OD1-N 3.24Å; N615-A619 VanDerWaalsContact O-CB 3.29Å; N615-A619 WeakPolarHBondContact O-CB 3.29Å; N615-A619 PolarHBondContact O-N 3.08Å
616	T	84.1	Confident	81.5	Confident	30 Å²	30	45.4 Å²	45.4	18%	0.184	23%	0.234	C	C	.	.	H	α-helix	trans	-60.5	-39.1	-173	-35.5	0	0	0	0	112.8	M612 I620 L645	M612-T616 WeakPolarHBondContact O-CA 3.21Å; M612-T616 PolarHBondContact O-N 2.83Å; M612-T616 PolarHBondContact O-OG1 2.78Å; M612-T616 HydrophobicContact SD-CG2 4.03Å; T616-I620 HydrophobicContact CG2-CD1 3.79Å; T616-I620 HydrophobicContact CG2-CG1 4.34Å; T616-I620 VanDerWaalsContact O-CB 3.28Å; T616-I620 WeakPolarHBondContact O-CB 3.47Å; T616-I620 WeakPolarHBondContact O-CD1 3.17Å; T616-I620 WeakPolarHBondContact O-CG1 3.48Å; T616-I620 PolarHBondContact O-N 3.37Å; T616-L645 HydrophobicContact CG2-CD2 3.55Å
617	T	85.1	Confident	81.4	Confident	99 Å²	99	40.5 Å²	40.5	61%	0.607	21%	0.207	S	C	*	.	H	α-helix	trans	-68.3	-44.2	179.8	31	0	0	0	0	112.5	N615 N621	N615-T617 VanDerWaalsContact C-N 3.31Å; N615-T617 PolarHBondContact O-N 3.33Å; N615-T617 PolarHBondContact OD1-N 2.92Å; N615-T617 PolarHBondContact OD1-OG1 3.48Å; T617-N621 WeakPolarHBondContact O-CB 3.44Å; T617-N621 VanDerWaalsContact O-CG 3.3Å; T617-N621 PolarHBondContact O-N 2.94Å; T617-N621 PolarHBondContact O-ND2 3.38Å; T617-N621 VanDerWaalsContact O-ND2 3.11Å
618	K	83.6	Confident	81.3	Confident	94 Å²	94	44.9 Å²	44.9	41%	0.409	23%	0.233	S	C	.	.	H	α-helix	trans	-67.6	-42.3	176.8	-71.4	-178.8	-178.9	176.6	0	111.7	F585 N615 N621 M622	F585-K618 HydrophobicContact CB-CD 4.13Å; F585-K618 HydrophobicContact CD1-CB 3.71Å; F585-K618 HydrophobicContact CD1-CD 4.46Å; F585-K618 HydrophobicContact CD2-CB 4.49Å; F585-K618 HydrophobicContact CD2-CD 4.12Å; F585-K618 HydrophobicContact CE1-CB 3.76Å; F585-K618 HydrophobicContact CG-CB 4.09Å; F585-K618 HydrophobicContact CG-CD 4Å; F585-K618 HydrophobicContact CZ-CB 4.18Å; N615-K618 HydrophobicContact CB-CB 4.2Å; N615-K618 HydrophobicContact CB-CD 4.42Å; N615-K618 PolarHBondContact O-N 2.91Å; N615-K618 WeakPolarHBondContact OD1-CB 3.44Å; N615-K618 WeakPolarHBondContact OD1-CG 3.49Å; N615-K618 PolarHBondContact OD1-N 3.24Å; K618-N621 PolarHBondContact O-N 3.38Å; K618-M622 PolarHBondContact O-N 3.21Å
619	A	85.3	Confident	81.1	Confident	2 Å²	2	47.9 Å²	47.9	2%	0.017	25%	0.246	C	C	.	.	H	α-helix	trans	-62	-47.5	177.6	0	0	0	0	0	111.9	F585 F611 M612 N615 N621 M622 L623	F585-A619 HydrophobicContact CE1-CB 4.09Å; F585-A619 HydrophobicContact CZ-CB 4.32Å; F611-A619 HydrophobicContact CB-CB 3.83Å; F611-A619 WeakPolarHBondContact O-CB 3.28Å; M612-A619 HydrophobicContact CG-CB 4.36Å; M612-A619 HydrophobicContact SD-CB 3.69Å; N615-A619 VanDerWaalsContact O-CB 3.29Å; N615-A619 WeakPolarHBondContact O-CB 3.29Å; N615-A619 PolarHBondContact O-N 3.08Å; A619-N621 VanDerWaalsContact C-N 3.33Å; A619-N621 PolarHBondContact O-N 3.5Å; A619-M622 PolarHBondContact O-N 2.87Å; A619-L623 WeakPolarHBondContact O-CG 3.47Å; A619-L623 PolarHBondContact O-N 3.02Å
620	I	85.6	Confident	81.1	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-58.2	-46.4	174.4	-71.8	169.7	0	0	0	110.5	M612 T616 M622 L623 M624 Q648 F649	M612-I620 HydrophobicContact CE-CD1 4.43Å; M612-I620 HydrophobicContact CE-CG1 3.69Å; M612-I620 HydrophobicContact SD-CG1 3.83Å; T616-I620 HydrophobicContact CG2-CD1 3.79Å; T616-I620 HydrophobicContact CG2-CG1 4.34Å; T616-I620 VanDerWaalsContact O-CB 3.28Å; T616-I620 WeakPolarHBondContact O-CB 3.47Å; T616-I620 WeakPolarHBondContact O-CD1 3.17Å; T616-I620 WeakPolarHBondContact O-CG1 3.48Å; T616-I620 PolarHBondContact O-N 3.37Å; I620-M622 VanDerWaalsContact C-N 3.34Å; I620-M622 PolarHBondContact O-N 3.21Å; I620-L623 WeakPolarHBondContact O-CB 3.36Å; I620-L623 PolarHBondContact O-N 3.17Å; I620-L623 VanDerWaalsContact O-N 3.15Å; I620-M624 HydrophobicContact CG2-CG 4.05Å; I620-M624 WeakPolarHBondContact O-CB 3.42Å; I620-M624 VanDerWaalsContact O-CG 3.24Å; I620-M624 WeakPolarHBondContact O-CG 3.34Å; I620-M624 PolarHBondContact O-N 3.05Å; I620-Q648 HydrophobicContact CD1-CB 4.03Å; I620-F649 HydrophobicContact CD1-CB 4.45Å; I620-F649 HydrophobicContact CG1-CD2 4.36Å
621	N	83.9	Confident	81.4	Confident	81 Å²	81	46.1 Å²	46.1	43%	0.433	25%	0.245	S	C	.	.	H	α-helix	trans	-60.3	-42.8	179.5	-77.8	-34.2	0	0	0	112.4	T617 K618 A619 M624 D625	T617-N621 WeakPolarHBondContact O-CB 3.44Å; T617-N621 VanDerWaalsContact O-CG 3.3Å; T617-N621 PolarHBondContact O-N 2.94Å; T617-N621 PolarHBondContact O-ND2 3.38Å; T617-N621 VanDerWaalsContact O-ND2 3.11Å; K618-N621 PolarHBondContact O-N 3.38Å; A619-N621 VanDerWaalsContact C-N 3.33Å; A619-N621 PolarHBondContact O-N 3.5Å; N621-M624 PolarHBondContact O-N 3.37Å; N621-D625 VanDerWaalsContact O-CG 3.24Å; N621-D625 PolarHBondContact O-N 2.86Å
622	M	79.3	Confident	81.5	Confident	19 Å²	19	46.9 Å²	46.9	9%	0.094	25%	0.249	C	C	.	.	H	α-helix	trans	-62.5	-41.2	173.6	-92	172.6	53.8	0	0	112.6	F585 V588 L604 K618 A619 I620 M624 D625 H626	F585-M622 HydrophobicContact CD1-SD 3.8Å; F585-M622 HydrophobicContact CE1-SD 4.46Å; V588-M622 HydrophobicContact CB-CE 4.13Å; V588-M622 HydrophobicContact CB-SD 4.4Å; V588-M622 HydrophobicContact CG1-CE 3.26Å; V588-M622 HydrophobicContact CG1-SD 3.79Å; L604-M622 HydrophobicContact CD1-CE 3.65Å; L604-M622 HydrophobicContact CD2-CE 3.35Å; L604-M622 HydrophobicContact CG-CE 3.89Å; K618-M622 PolarHBondContact O-N 3.21Å; A619-M622 PolarHBondContact O-N 2.87Å; I620-M622 VanDerWaalsContact C-N 3.34Å; I620-M622 PolarHBondContact O-N 3.21Å; M622-M624 VanDerWaalsContact C-N 3.31Å; M622-M624 PolarHBondContact O-N 3.26Å; M622-D625 PolarHBondContact O-N 2.95Å; M622-H626 PolarHBondContact O-CD2 3.06Å; M622-H626 PolarHBondContact O-N 3.42Å
623	L	81.6	Confident	81.7	Confident	5 Å²	5	51.2 Å²	51.2	3%	0.026	27%	0.272	C	S	.	.	H	α-helix	trans	-63.3	-38.9	174.6	-69.8	164.2	0	0	0	111.7	L608 M612 A619 I620 D625 H626 I627 V630 F649	L608-L623 HydrophobicContact CD1-CD1 3.54Å; L608-L623 HydrophobicContact CD1-CD2 3.61Å; L608-L623 HydrophobicContact CD1-CG 4.15Å; M612-L623 HydrophobicContact CE-CD1 3.81Å; M612-L623 HydrophobicContact SD-CD1 4.24Å; A619-L623 WeakPolarHBondContact O-CG 3.47Å; A619-L623 PolarHBondContact O-N 3.02Å; I620-L623 WeakPolarHBondContact O-CB 3.36Å; I620-L623 PolarHBondContact O-N 3.17Å; I620-L623 VanDerWaalsContact O-N 3.15Å; L623-D625 VanDerWaalsContact C-N 3.31Å; L623-D625 PolarHBondContact O-N 3.17Å; L623-H626 CarbonylContact O-C 3.58Å; L623-H626 PolarHBondContact O-N 3.47Å; L623-I627 PolarHBondContact O-N 3.37Å; L623-I627 VanDerWaalsContact O-N 3.15Å; L623-V630 HydrophobicContact CD2-CG1 4.41Å; L623-F649 HydrophobicContact CD1-CE2 4.48Å
624	M	81.2	Confident	81.9	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-67.5	-30.5	178.1	-71	-58.5	96.5	0	0	113	I620 N621 M622 H626 I627 F649 V653 Y657	I620-M624 HydrophobicContact CG2-CG 4.05Å; I620-M624 WeakPolarHBondContact O-CB 3.42Å; I620-M624 VanDerWaalsContact O-CG 3.24Å; I620-M624 WeakPolarHBondContact O-CG 3.34Å; I620-M624 PolarHBondContact O-N 3.05Å; N621-M624 PolarHBondContact O-N 3.37Å; M622-M624 VanDerWaalsContact C-N 3.31Å; M622-M624 PolarHBondContact O-N 3.26Å; M624-H626 VanDerWaalsContact C-N 3.27Å; M624-I627 HydrophobicContact CE-CD1 3.97Å; M624-I627 HydrophobicContact SD-CD1 3.99Å; M624-F649 HydrophobicContact CE-CD2 4.17Å; M624-F649 HydrophobicContact CE-CE2 3.35Å; M624-F649 HydrophobicContact CE-CZ 3.9Å; M624-V653 HydrophobicContact CE-CG2 3.57Å; M624-V653 HydrophobicContact SD-CG2 3.78Å; M624-Y657 HydrophobicContact CB-CE2 4.34Å; M624-Y657 PolarHBondContact O-OH 3.45Å; M624-Y657 HydrophobicContact SD-CD2 4.03Å; M624-Y657 HydrophobicContact SD-CE2 4.02Å
625	D	80.4	Confident	82.1	Confident	91 Å²	91	47.6 Å²	47.6	49%	0.487	25%	0.252	S	S	.	.	H	α-helix	trans	-74.3	-20.8	175.9	-65.4	-18.1	0	0	0	111.7	N621 M622 L623 R656	N621-D625 VanDerWaalsContact O-CG 3.24Å; N621-D625 PolarHBondContact O-N 2.86Å; M622-D625 PolarHBondContact O-N 2.95Å; L623-D625 VanDerWaalsContact C-N 3.31Å; L623-D625 PolarHBondContact O-N 3.17Å; D625-R656 IonicContact OD1-CZ 2.72Å; D625-R656 IonicContact OD1-NH1 2.69Å; D625-R656 PolarHBondContact OD1-NH1 2.96Å; D625-R656 IonicContact OD1-NH2 3.09Å; D625-R656 PolarHBondContact OD1-NH2 2.83Å
626	H	78.7	Confident	82.2	Confident	16 Å²	16	45.9 Å²	45.9	7%	0.074	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	29.6	177.9	-61.3	-69	0	0	0	113.6	D597 L600 V601 M622 L623 M624 D628 Q629 V630	D597-H626 IonicContact OD1-CE1 2.69Å; D597-H626 PolarHBondContact OD1-CE1 3.31Å; L600-H626 WeakPolarHBondContact CD2-NE2 3.32Å; V601-H626 HydrophobicContact CG2-CB 3.97Å; M622-H626 PolarHBondContact O-CD2 3.06Å; M622-H626 PolarHBondContact O-N 3.42Å; L623-H626 CarbonylContact O-C 3.58Å; L623-H626 PolarHBondContact O-N 3.47Å; M624-H626 VanDerWaalsContact C-N 3.27Å; H626-D628 PolarHBondContact O-N 3.05Å; H626-D628 VanDerWaalsContact O-N 3.13Å; H626-Q629 PolarHBondContact O-N 2.98Å; H626-V630 PolarHBondContact O-N 3.19Å; H626-V630 VanDerWaalsContact O-N 3.08Å
627	I	77.9	Confident	82.4	Confident	21 Å²	21	50 Å²	50	11%	0.108	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.2	-175.4	-155	164.2	0	0	0	113.2	L623 M624 Q629 V630 I632 Y657 L660	L623-I627 PolarHBondContact O-N 3.37Å; L623-I627 VanDerWaalsContact O-N 3.15Å; M624-I627 HydrophobicContact CE-CD1 3.97Å; M624-I627 HydrophobicContact SD-CD1 3.99Å; I627-Q629 VanDerWaalsContact C-N 3.27Å; I627-Q629 PolarHBondContact O-N 3.24Å; I627-V630 VanDerWaalsContact O-O 3.09Å; I627-I632 HydrophobicContact CD1-CD1 4.2Å; I627-I632 HydrophobicContact CD1-CG1 4.25Å; I627-I632 HydrophobicContact CG1-CG1 4.29Å; I627-Y657 HydrophobicContact CD1-CD2 3.62Å; I627-Y657 HydrophobicContact CD1-CE2 3.85Å; I627-Y657 HydrophobicContact CD1-CG 4.39Å; I627-Y657 HydrophobicContact CG2-CE2 4.28Å; I627-L660 HydrophobicContact CD1-CD1 4.15Å
628	D	74.6	Confident	82.4	Confident	160 Å²	160	49.2 Å²	49.2	86%	0.856	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-21.7	177.2	-58	-30.1	0	0	0	112.8	H626	H626-D628 PolarHBondContact O-N 3.05Å; H626-D628 VanDerWaalsContact O-N 3.13Å
629	Q	77.3	Confident	82.5	Confident	69 Å²	69	44.9 Å²	44.9	32%	0.322	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-22.9	-176.5	-58.4	-175.8	43.8	0	0	112.8	V601 K605 H626 I627	V601-Q629 HydrophobicContact CG1-CB 4.14Å; V601-Q629 HydrophobicContact CG2-CB 3.95Å; K605-Q629 PolarHBondContact NZ-O 3.03Å; H626-Q629 PolarHBondContact O-N 2.98Å; I627-Q629 VanDerWaalsContact C-N 3.27Å; I627-Q629 PolarHBondContact O-N 3.24Å
630	V	77.5	Confident	82.4	Confident	5 Å²	5	49.8 Å²	49.8	3%	0.03	26%	0.26	C	S	.	.	S	Bend	trans	-115.3	102.2	175.7	-169	0	0	0	0	108.8	V601 L623 H626 I627 I632 Y634 V635	V601-V630 HydrophobicContact CG1-CG2 3.63Å; L623-V630 HydrophobicContact CD2-CG1 4.41Å; H626-V630 PolarHBondContact O-N 3.19Å; H626-V630 VanDerWaalsContact O-N 3.08Å; I627-V630 VanDerWaalsContact O-O 3.09Å; V630-I632 PolarHBondContact O-N 2.98Å; V630-Y634 HydrophobicContact CG1-CD1 4.11Å; V630-V635 HydrophobicContact CG1-CG2 3.56Å
631	S	83.9	Confident	82.2	Confident	65 Å²	65	55 Å²	55	46%	0.455	30%	0.297	S	S	.	.			trans	-59.2	139	177.3	58.7	0	0	0	0	111.4	D633 Y634 V635	S631-D633 PolarHBondContact O-N 3.2Å; S631-Y634 WeakPolarHBondContact O-CB 3.44Å; S631-Y634 PolarHBondContact O-N 3.31Å; S631-Y634 VanDerWaalsContact OG-CB 3.28Å; S631-Y634 WeakPolarHBondContact OG-CB 3.38Å; S631-Y634 PolarHBondContact OG-N 3.41Å; S631-V635 PolarHBondContact O-N 2.93Å
632	I	84.3	Confident	82.2	Confident	19 Å²	19	54.5 Å²	54.5	10%	0.097	30%	0.295	C	S	.	.	H	α-helix	trans	-55	-39.4	175.2	-60.3	171.1	0	0	0	110.5	I627 V630 Y634 V635 V636 F649 V653 L660 Y664	I627-I632 HydrophobicContact CD1-CD1 4.2Å; I627-I632 HydrophobicContact CD1-CG1 4.25Å; I627-I632 HydrophobicContact CG1-CG1 4.29Å; V630-I632 PolarHBondContact O-N 2.98Å; I632-Y634 VanDerWaalsContact C-N 3.31Å; I632-Y634 PolarHBondContact O-N 3.33Å; I632-V635 PolarHBondContact O-N 2.96Å; I632-V636 HydrophobicContact CG2-CG2 3.96Å; I632-V636 WeakPolarHBondContact O-CB 3.35Å; I632-V636 VanDerWaalsContact O-CG2 3.29Å; I632-V636 WeakPolarHBondContact O-CG2 3.02Å; I632-V636 PolarHBondContact O-N 2.94Å; I632-F649 HydrophobicContact CG2-CE1 4.02Å; I632-V653 HydrophobicContact CD1-CG1 4.05Å; I632-L660 HydrophobicContact CD1-CB 3.82Å; I632-L660 HydrophobicContact CD1-CD1 4.25Å; I632-Y664 HydrophobicContact CB-CE2 4.09Å; I632-Y664 HydrophobicContact CG2-CD2 4.04Å; I632-Y664 HydrophobicContact CG2-CE2 3.45Å; I632-Y664 VanDerWaalsContact CG2-CE2 3.45Å
633	D	85.7	Confident	82.5	Confident	90 Å²	90	55.4 Å²	55.4	48%	0.481	30%	0.302	S	S	.	.	H	α-helix	trans	-55.4	-42.4	175.8	-71.8	-55.3	0	0	0	113.4	S631 V636 N637 Y664	S631-D633 PolarHBondContact O-N 3.2Å; D633-V636 PolarHBondContact O-N 3.15Å; D633-N637 VanDerWaalsContact O-CB 3.31Å; D633-N637 WeakPolarHBondContact O-CB 3.28Å; D633-N637 PolarHBondContact O-N 3.48Å; D633-N637 PolarHBondContact O-ND2 3.47Å; D633-N637 VanDerWaalsContact O-ND2 3.16Å; D633-Y664 PolarHBondContact N-OH 3.48Å; D633-Y664 PolarHBondContact OD1-OH 3.26Å; D633-Y664 PolarHBondContact OD2-OH 3.43Å
634	Y	86.2	Confident	82.7	Confident	77 Å²	77	59.3 Å²	59.3	30%	0.302	32%	0.322	S	S	.	.	H	α-helix	trans	-62.6	-47	178.7	177.5	-95.5	0	0	0	111.2	K605 V630 S631 I632 N637 Q638	K605-Y634 HydrophobicContact CB-CE1 4.27Å; K605-Y634 HydrophobicContact CG-CE1 3.94Å; V630-Y634 HydrophobicContact CG1-CD1 4.11Å; S631-Y634 WeakPolarHBondContact O-CB 3.44Å; S631-Y634 PolarHBondContact O-N 3.31Å; S631-Y634 VanDerWaalsContact OG-CB 3.28Å; S631-Y634 WeakPolarHBondContact OG-CB 3.38Å; S631-Y634 PolarHBondContact OG-N 3.41Å; I632-Y634 VanDerWaalsContact C-N 3.31Å; I632-Y634 PolarHBondContact O-N 3.33Å; Y634-N637 PolarHBondContact O-N 3.09Å; Y634-Q638 HydrophobicContact CE1-CG 4.14Å; Y634-Q638 HydrophobicContact CE2-CG 4.43Å; Y634-Q638 WeakPolarHBondContact O-CG 3.29Å; Y634-Q638 PolarHBondContact O-N 3.39Å; Y634-Q638 VanDerWaalsContact O-N 3.09Å
635	V	84.6	Confident	82.9	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.012	33%	0.326	C	S	.	.	H	α-helix	trans	-67.4	-42.6	-179.5	-177.5	0	0	0	0	110.8	L608 V630 S631 I632 N637 Q638 L639 F649	L608-V635 HydrophobicContact CD2-CG1 4.31Å; V630-V635 HydrophobicContact CG1-CG2 3.56Å; S631-V635 PolarHBondContact O-N 2.93Å; I632-V635 PolarHBondContact O-N 2.96Å; V635-N637 VanDerWaalsContact C-N 3.35Å; V635-N637 PolarHBondContact O-N 3.28Å; V635-Q638 PolarHBondContact O-N 3Å; V635-L639 HydrophobicContact CG1-CD1 3.62Å; V635-L639 HydrophobicContact CG1-CG 4.22Å; V635-L639 WeakPolarHBondContact O-CB 3.3Å; V635-L639 WeakPolarHBondContact O-CG 3.28Å; V635-L639 PolarHBondContact O-N 3.11Å; V635-F649 HydrophobicContact CB-CE1 3.82Å; V635-F649 HydrophobicContact CB-CE2 4.24Å; V635-F649 HydrophobicContact CB-CZ 3.67Å; V635-F649 HydrophobicContact CG1-CD1 3.88Å; V635-F649 HydrophobicContact CG1-CD2 3.91Å; V635-F649 HydrophobicContact CG1-CE1 3.63Å; V635-F649 HydrophobicContact CG1-CE2 3.66Å; V635-F649 HydrophobicContact CG1-CG 4.02Å; V635-F649 HydrophobicContact CG1-CZ 3.52Å; V635-F649 HydrophobicContact CG2-CE2 4.45Å; V635-F649 HydrophobicContact CG2-CZ 4.07Å
636	V	86.4	Confident	83.3	Confident	12 Å²	12	56 Å²	56	7%	0.073	30%	0.304	C	S	.	.	H	α-helix	trans	-61.4	-43	176.9	169.3	0	0	0	0	111.1	I632 D633 Q638 L639 N640 L646 F649 L650 Y664 L667	I632-V636 HydrophobicContact CG2-CG2 3.96Å; I632-V636 WeakPolarHBondContact O-CB 3.35Å; I632-V636 VanDerWaalsContact O-CG2 3.29Å; I632-V636 WeakPolarHBondContact O-CG2 3.02Å; I632-V636 PolarHBondContact O-N 2.94Å; D633-V636 PolarHBondContact O-N 3.15Å; V636-Q638 PolarHBondContact O-N 2.7Å; V636-L639 PolarHBondContact O-N 2.85Å; V636-N640 PolarHBondContact O-N 3.42Å; V636-L646 HydrophobicContact CB-CD1 4.19Å; V636-L646 HydrophobicContact CG1-CD1 4.01Å; V636-L646 HydrophobicContact CG2-CD1 4Å; V636-F649 HydrophobicContact CG2-CD1 4.49Å; V636-F649 HydrophobicContact CG2-CE1 4.23Å; V636-L650 HydrophobicContact CG2-CD2 3.96Å; V636-Y664 HydrophobicContact CG2-CD1 4.44Å; V636-Y664 HydrophobicContact CG2-CE1 4.27Å; V636-L667 HydrophobicContact CG1-CD2 4.32Å
637	N	87.4	Confident	83.8	Confident	116 Å²	116	56.4 Å²	56.4	62%	0.62	31%	0.305	S	S	*	.	H	α-helix	trans	-64.3	-40.4	178.2	-75.3	-25.3	0	0	0	112.4	D633 Y634 V635	D633-N637 VanDerWaalsContact O-CB 3.31Å; D633-N637 WeakPolarHBondContact O-CB 3.28Å; D633-N637 PolarHBondContact O-N 3.48Å; D633-N637 PolarHBondContact O-ND2 3.47Å; D633-N637 VanDerWaalsContact O-ND2 3.16Å; Y634-N637 PolarHBondContact O-N 3.09Å; V635-N637 VanDerWaalsContact C-N 3.35Å; V635-N637 PolarHBondContact O-N 3.28Å
638	Q	84.8	Confident	84.3	Confident	84 Å²	84	58.5 Å²	58.5	39%	0.393	31%	0.314	S	S	.	.	H	α-helix	trans	-70.1	-35.4	177.4	-72	-67.5	-6.9	0	0	112.6	L608 Y634 V635 V636	L608-Q638 HydrophobicContact CD2-CB 3.82Å; L608-Q638 HydrophobicContact CD2-CG 4.27Å; Y634-Q638 HydrophobicContact CE1-CG 4.14Å; Y634-Q638 HydrophobicContact CE2-CG 4.43Å; Y634-Q638 WeakPolarHBondContact O-CG 3.29Å; Y634-Q638 PolarHBondContact O-N 3.39Å; Y634-Q638 VanDerWaalsContact O-N 3.09Å; V635-Q638 PolarHBondContact O-N 3Å; V636-Q638 PolarHBondContact O-N 2.7Å
639	L	85.8	Confident	85	Confident	3 Å²	3	51 Å²	51	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-88.9	2.3	179.9	-63.1	177.7	0	0	0	113.7	M612 V635 V636 S641 D642 L645 L646 F649	M612-L639 HydrophobicContact CE-CD1 3.65Å; V635-L639 HydrophobicContact CG1-CD1 3.62Å; V635-L639 HydrophobicContact CG1-CG 4.22Å; V635-L639 WeakPolarHBondContact O-CB 3.3Å; V635-L639 WeakPolarHBondContact O-CG 3.28Å; V635-L639 PolarHBondContact O-N 3.11Å; V636-L639 PolarHBondContact O-N 2.85Å; L639-S641 PolarHBondContact O-N 2.95Å; L639-S641 VanDerWaalsContact O-N 3.15Å; L639-D642 CarbonylContact O-C 3.4Å; L639-D642 PolarHBondContact O-N 3.04Å; L639-D642 VanDerWaalsContact O-O 3.08Å; L639-L645 HydrophobicContact CD2-CB 4.02Å; L639-L645 HydrophobicContact CD2-CD1 4.19Å; L639-L646 HydrophobicContact CB-CB 4.19Å; L639-L646 HydrophobicContact CB-CD1 4.18Å; L639-F649 HydrophobicContact CD1-CB 4.05Å; L639-F649 HydrophobicContact CD1-CG 4.29Å
640	N	82.7	Confident	85.6	Confident	105 Å²	105	47.7 Å²	47.7	56%	0.561	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-26.3	-174.7	-160.7	19.8	0	0	0	113	V636	V636-N640 PolarHBondContact O-N 3.42Å
641	S	81.8	Confident	86.2	Confident	113 Å²	113	48.9 Å²	48.9	79%	0.79	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-32.5	174.1	42.4	0	0	0	0	113.2	L639	L639-S641 PolarHBondContact O-N 2.95Å; L639-S641 VanDerWaalsContact O-N 3.15Å
642	D	83.9	Confident	86.3	Confident	71 Å²	71	47.7 Å²	47.7	38%	0.38	26%	0.256	S	S	.	.			trans	-110	93.7	-179.8	-164.6	-25.4	0	0	0	111.5	L639 M644 L645 L646	L639-D642 CarbonylContact O-C 3.4Å; L639-D642 PolarHBondContact O-N 3.04Å; L639-D642 VanDerWaalsContact O-O 3.08Å; D642-M644 PolarHBondContact O-N 2.89Å; D642-M644 VanDerWaalsContact O-N 3.12Å; D642-M644 WeakPolarHBondContact OD1-CB 3.27Å; D642-M644 PolarHBondContact OD1-N 3.27Å; D642-L645 HydrophobicContact CB-CB 4.26Å; D642-L645 HydrophobicContact CB-CD1 4.13Å; D642-L645 HydrophobicContact CB-CG 4.32Å; D642-L645 PolarHBondContact O-N 3.12Å; D642-L645 PolarHBondContact OD1-N 3.21Å; D642-L645 WeakPolarHBondContact OD2-CD1 3.45Å; D642-L646 WeakPolarHBondContact O-CB 3.44Å; D642-L646 PolarHBondContact O-N 3.28Å
643	S	85.7	Confident	86.5	Confident	37 Å²	37	46.8 Å²	46.8	26%	0.259	25%	0.252	S	S	.	.	H	α-helix	trans	-57	-27.4	-179.6	-55.4	0	0	0	0	113.7	Y647 F675	S643-Y647 WeakPolarHBondContact O-CB 3.31Å; S643-Y647 PolarHBondContact O-N 3.49Å; S643-Y647 VanDerWaalsContact O-N 3.14Å; S643-F675 VanDerWaalsContact O-CE2 3.24Å; S643-F675 WeakPolarHBondContact O-CE2 3.29Å
644	M	85.7	Confident	86.6	Confident	88 Å²	88	44.5 Å²	44.5	43%	0.433	24%	0.237	S	C	.	.	H	α-helix	trans	-78	-48.1	-178.7	179.8	66.3	99.5	0	0	111.2	D642 L646 Y647 Q648 F675	D642-M644 PolarHBondContact O-N 2.89Å; D642-M644 VanDerWaalsContact O-N 3.12Å; D642-M644 WeakPolarHBondContact OD1-CB 3.27Å; D642-M644 PolarHBondContact OD1-N 3.27Å; M644-L646 VanDerWaalsContact C-N 3.28Å; M644-L646 PolarHBondContact O-N 3.04Å; M644-Y647 WeakPolarHBondContact O-CB 2.95Å; M644-Y647 PolarHBondContact O-N 2.81Å; M644-Y647 HydrophobicContact SD-CD1 4.1Å; M644-Q648 PolarHBondContact O-N 3.33Å; M644-F675 HydrophobicContact CE-CD1 4.32Å; M644-F675 HydrophobicContact SD-CD1 4.19Å
645	L	85.2	Confident	86.6	Confident	19 Å²	19	50.7 Å²	50.7	10%	0.099	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-39.4	176.3	-67.8	177.2	0	0	0	110.9	M612 T616 L639 D642 Y647 Q648 F649	M612-L645 HydrophobicContact CB-CD1 4.24Å; M612-L645 HydrophobicContact CB-CD2 4.4Å; T616-L645 HydrophobicContact CG2-CD2 3.55Å; L639-L645 HydrophobicContact CD2-CB 4.02Å; L639-L645 HydrophobicContact CD2-CD1 4.19Å; D642-L645 HydrophobicContact CB-CB 4.26Å; D642-L645 HydrophobicContact CB-CD1 4.13Å; D642-L645 HydrophobicContact CB-CG 4.32Å; D642-L645 PolarHBondContact O-N 3.12Å; D642-L645 PolarHBondContact OD1-N 3.21Å; D642-L645 WeakPolarHBondContact OD2-CD1 3.45Å; L645-Y647 PolarHBondContact O-N 3.21Å; L645-Q648 PolarHBondContact O-N 3.13Å; L645-F649 WeakPolarHBondContact O-CB 3.07Å; L645-F649 PolarHBondContact O-N 3.03Å
646	L	89.1	Confident	86.6	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-61.3	-42.7	175	-176.4	62.4	0	0	0	112.1	V636 L639 D642 M644 L650 L667 L671	V636-L646 HydrophobicContact CB-CD1 4.19Å; V636-L646 HydrophobicContact CG1-CD1 4.01Å; V636-L646 HydrophobicContact CG2-CD1 4Å; L639-L646 HydrophobicContact CB-CB 4.19Å; L639-L646 HydrophobicContact CB-CD1 4.18Å; D642-L646 WeakPolarHBondContact O-CB 3.44Å; D642-L646 PolarHBondContact O-N 3.28Å; M644-L646 VanDerWaalsContact C-N 3.28Å; M644-L646 PolarHBondContact O-N 3.04Å; L646-L650 HydrophobicContact CD1-CD1 3.96Å; L646-L650 HydrophobicContact CD1-CG 4.2Å; L646-L650 HydrophobicContact CG-CD1 4.06Å; L646-L650 WeakPolarHBondContact O-CB 3.39Å; L646-L650 WeakPolarHBondContact O-CG 3.47Å; L646-L650 PolarHBondContact O-N 3.03Å; L646-L667 HydrophobicContact CD2-CD2 4.37Å; L646-L671 HydrophobicContact CD2-CD1 4.18Å; L646-L671 HydrophobicContact CG-CD1 3.99Å
647	Y	90.2	Very high	86.4	Confident	25 Å²	25	58 Å²	58	10%	0.098	29%	0.287	C	S	.	.	H	α-helix	trans	-59	-50.5	173.3	154.1	-104.7	0	0	0	111.4	S643 M644 L645 F649 L650 D651 Y672 F675 C676 K679	S643-Y647 WeakPolarHBondContact O-CB 3.31Å; S643-Y647 PolarHBondContact O-N 3.49Å; S643-Y647 VanDerWaalsContact O-N 3.14Å; M644-Y647 WeakPolarHBondContact O-CB 2.95Å; M644-Y647 PolarHBondContact O-N 2.81Å; M644-Y647 HydrophobicContact SD-CD1 4.1Å; L645-Y647 PolarHBondContact O-N 3.21Å; Y647-F649 VanDerWaalsContact C-N 3.32Å; Y647-F649 PolarHBondContact O-N 3.45Å; Y647-L650 PolarHBondContact O-N 2.97Å; Y647-D651 HydrophobicContact CD2-CB 4.5Å; Y647-D651 HydrophobicContact CE2-CB 4.22Å; Y647-D651 WeakPolarHBondContact O-CB 3.36Å; Y647-D651 PolarHBondContact O-N 3Å; Y647-Y672 AromaticContact CD2-CD1 3.83Å; Y647-Y672 HydrophobicContact CD2-CD1 3.83Å; Y647-Y672 AromaticContact CD2-CE1 3.91Å; Y647-Y672 HydrophobicContact CD2-CE1 3.91Å; Y647-Y672 AromaticContact CE2-CD1 3.57Å; Y647-Y672 HydrophobicContact CE2-CD1 3.57Å; Y647-Y672 AromaticContact CE2-CE1 3.47Å; Y647-Y672 HydrophobicContact CE2-CE1 3.47Å; Y647-Y672 VanDerWaalsContact CE2-CE1 3.47Å; Y647-F675 HydrophobicContact CD1-CB 4.26Å; Y647-F675 HydrophobicContact CD2-CB 4.45Å; Y647-F675 HydrophobicContact CG-CB 4.22Å; Y647-F675 HydrophobicContact CG-CD2 4.27Å; Y647-F675 HydrophobicContact CG-CG 4.49Å; Y647-C676 HydrophobicContact CE2-CB 4.11Å; Y647-K679 PolarHBondContact OH-NZ 2.83Å
648	Q	87.6	Confident	86.2	Confident	65 Å²	65	55.3 Å²	55.3	30%	0.304	28%	0.276	S	S	.	.	H	α-helix	trans	-63.7	-39.1	-177.7	-69	-176.5	-3.8	0	0	112.2	I620 M644 L645 S652	I620-Q648 HydrophobicContact CD1-CB 4.03Å; M644-Q648 PolarHBondContact O-N 3.33Å; L645-Q648 PolarHBondContact O-N 3.13Å; Q648-S652 WeakPolarHBondContact O-CB 3.23Å; Q648-S652 PolarHBondContact O-N 2.92Å; Q648-S652 VanDerWaalsContact O-N 3.09Å; Q648-S652 PolarHBondContact O-OG 3.33Å
649	F	89.2	Confident	86	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.009	28%	0.283	C	S	.	.	H	α-helix	trans	-63.5	-53.1	175.4	176.7	-106.5	0	0	0	111.6	M612 I620 L623 M624 I632 V635 V636 L639 L645 Y647 D651 S652 V653	M612-F649 HydrophobicContact CE-CB 4.35Å; M612-F649 HydrophobicContact CE-CD2 4.25Å; I620-F649 HydrophobicContact CD1-CB 4.45Å; I620-F649 HydrophobicContact CG1-CD2 4.36Å; L623-F649 HydrophobicContact CD1-CE2 4.48Å; M624-F649 HydrophobicContact CE-CD2 4.17Å; M624-F649 HydrophobicContact CE-CE2 3.35Å; M624-F649 HydrophobicContact CE-CZ 3.9Å; I632-F649 HydrophobicContact CG2-CE1 4.02Å; V635-F649 HydrophobicContact CB-CE1 3.82Å; V635-F649 HydrophobicContact CB-CE2 4.24Å; V635-F649 HydrophobicContact CB-CZ 3.67Å; V635-F649 HydrophobicContact CG1-CD1 3.88Å; V635-F649 HydrophobicContact CG1-CD2 3.91Å; V635-F649 HydrophobicContact CG1-CE1 3.63Å; V635-F649 HydrophobicContact CG1-CE2 3.66Å; V635-F649 HydrophobicContact CG1-CG 4.02Å; V635-F649 HydrophobicContact CG1-CZ 3.52Å; V635-F649 HydrophobicContact CG2-CE2 4.45Å; V635-F649 HydrophobicContact CG2-CZ 4.07Å; V636-F649 HydrophobicContact CG2-CD1 4.49Å; V636-F649 HydrophobicContact CG2-CE1 4.23Å; L639-F649 HydrophobicContact CD1-CB 4.05Å; L639-F649 HydrophobicContact CD1-CG 4.29Å; L645-F649 WeakPolarHBondContact O-CB 3.07Å; L645-F649 PolarHBondContact O-N 3.03Å; Y647-F649 VanDerWaalsContact C-N 3.32Å; Y647-F649 PolarHBondContact O-N 3.45Å; F649-D651 PolarHBondContact O-N 3.14Å; F649-S652 WeakPolarHBondContact O-CB 3.3Å; F649-S652 PolarHBondContact O-N 2.96Å; F649-S652 VanDerWaalsContact O-N 3.16Å; F649-V653 HydrophobicContact CD1-CG2 4.37Å; F649-V653 HydrophobicContact CD2-CG2 4.46Å; F649-V653 HydrophobicContact CE1-CG2 4.02Å; F649-V653 HydrophobicContact CE2-CG2 4.12Å; F649-V653 HydrophobicContact CZ-CG2 3.87Å; F649-V653 WeakPolarHBondContact O-CG2 3.41Å; F649-V653 PolarHBondContact O-N 2.9Å
650	L	89.4	Confident	85.9	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-66.9	-34.7	-178.7	-69.6	175.4	0	0	0	113	V636 L646 Y647 S652 V653 Y654 I661 Y664 L667 L668 L671	V636-L650 HydrophobicContact CG2-CD2 3.96Å; L646-L650 HydrophobicContact CD1-CD1 3.96Å; L646-L650 HydrophobicContact CD1-CG 4.2Å; L646-L650 HydrophobicContact CG-CD1 4.06Å; L646-L650 WeakPolarHBondContact O-CB 3.39Å; L646-L650 WeakPolarHBondContact O-CG 3.47Å; L646-L650 PolarHBondContact O-N 3.03Å; Y647-L650 PolarHBondContact O-N 2.97Å; L650-S652 VanDerWaalsContact C-N 3.31Å; L650-S652 PolarHBondContact O-N 2.9Å; L650-V653 PolarHBondContact O-N 3.41Å; L650-Y654 WeakPolarHBondContact O-CB 3.33Å; L650-Y654 PolarHBondContact O-N 3.47Å; L650-I661 HydrophobicContact CB-CD1 4.39Å; L650-I661 HydrophobicContact CD2-CD1 3.94Å; L650-Y664 HydrophobicContact CD2-CG 4.26Å; L650-L667 HydrophobicContact CD1-CD2 3.91Å; L650-L667 HydrophobicContact CD1-CG 4.16Å; L650-L668 HydrophobicContact CB-CD1 3.94Å; L650-L671 HydrophobicContact CD1-CD1 3.76Å
651	D	89.8	Confident	86	Confident	30 Å²	30	55.4 Å²	55.4	16%	0.16	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-41.4	172.1	-172.3	62.8	0	0	0	111.2	Y647 F649 Y654 Y655 Y672 K679	Y647-D651 HydrophobicContact CD2-CB 4.5Å; Y647-D651 HydrophobicContact CE2-CB 4.22Å; Y647-D651 WeakPolarHBondContact O-CB 3.36Å; Y647-D651 PolarHBondContact O-N 3Å; F649-D651 PolarHBondContact O-N 3.14Å; D651-Y654 PolarHBondContact O-N 3.03Å; D651-Y655 PolarHBondContact O-N 3.4Å; D651-Y655 VanDerWaalsContact O-N 3.11Å; D651-Y672 HydrophobicContact CB-CE1 4.38Å; D651-Y672 WeakPolarHBondContact OD1-CE1 3.17Å; D651-Y672 PolarHBondContact OD1-OH 2.92Å; D651-K679 VanDerWaalsContact CG-NZ 3.34Å; D651-K679 IonicContact OD1-NZ 3.03Å; D651-K679 PolarHBondContact OD1-NZ 3.03Å; D651-K679 IonicContact OD2-NZ 2.75Å; D651-K679 PolarHBondContact OD2-NZ 3.3Å
652	S	87.7	Confident	86	Confident	39 Å²	39	51.5 Å²	51.5	27%	0.273	25%	0.253	S	S	.	.	H	α-helix	trans	-70.3	-40.9	177.7	-56.8	0	0	0	0	112.3	Q648 F649 L650 Y654 Y655 R656	Q648-S652 WeakPolarHBondContact O-CB 3.23Å; Q648-S652 PolarHBondContact O-N 2.92Å; Q648-S652 VanDerWaalsContact O-N 3.09Å; Q648-S652 PolarHBondContact O-OG 3.33Å; F649-S652 WeakPolarHBondContact O-CB 3.3Å; F649-S652 PolarHBondContact O-N 2.96Å; F649-S652 VanDerWaalsContact O-N 3.16Å; L650-S652 VanDerWaalsContact C-N 3.31Å; L650-S652 PolarHBondContact O-N 2.9Å; S652-Y654 VanDerWaalsContact C-N 3.33Å; S652-Y655 PolarHBondContact O-N 3.32Å; S652-R656 PolarHBondContact O-N 3.17Å
653	V	87.7	Confident	86.1	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.4	-43.7	173.8	173.9	0	0	0	0	110.4	M624 I632 F649 L650 Y655 R656 Y657 I661	M624-V653 HydrophobicContact CE-CG2 3.57Å; M624-V653 HydrophobicContact SD-CG2 3.78Å; I632-V653 HydrophobicContact CD1-CG1 4.05Å; F649-V653 HydrophobicContact CD1-CG2 4.37Å; F649-V653 HydrophobicContact CD2-CG2 4.46Å; F649-V653 HydrophobicContact CE1-CG2 4.02Å; F649-V653 HydrophobicContact CE2-CG2 4.12Å; F649-V653 HydrophobicContact CZ-CG2 3.87Å; F649-V653 WeakPolarHBondContact O-CG2 3.41Å; F649-V653 PolarHBondContact O-N 2.9Å; L650-V653 PolarHBondContact O-N 3.41Å; V653-Y655 VanDerWaalsContact C-N 3.34Å; V653-Y655 PolarHBondContact O-N 3.08Å; V653-R656 PolarHBondContact O-N 3.24Å; V653-Y657 CarbonylContact O-C 3.53Å; V653-Y657 VanDerWaalsContact O-C 3.31Å; V653-Y657 WeakPolarHBondContact O-CA 3.46Å; V653-Y657 PolarHBondContact O-N 3.18Å; V653-I661 HydrophobicContact CB-CD1 4.16Å; V653-I661 HydrophobicContact CG1-CD1 3.88Å
654	Y	87.4	Confident	86.3	Confident	43 Å²	43	52.8 Å²	52.8	17%	0.169	26%	0.261	C	S	.	.	H	α-helix	trans	-58.8	-44.4	177.4	171.5	-105.1	0	0	0	112	L650 D651 S652 I661 L668 L683 S686	L650-Y654 WeakPolarHBondContact O-CB 3.33Å; L650-Y654 PolarHBondContact O-N 3.47Å; D651-Y654 PolarHBondContact O-N 3.03Å; S652-Y654 VanDerWaalsContact C-N 3.33Å; Y654-I661 HydrophobicContact CD2-CG1 4.49Å; Y654-I661 HydrophobicContact CD2-CG2 4.02Å; Y654-L668 HydrophobicContact CD2-CD2 4.35Å; Y654-L668 HydrophobicContact CG-CD2 4.06Å; Y654-L683 HydrophobicContact CD1-CD1 4.19Å; Y654-L683 HydrophobicContact CD2-CD1 3.79Å; Y654-L683 HydrophobicContact CE1-CD1 3.69Å; Y654-L683 HydrophobicContact CE2-CD1 3.25Å; Y654-L683 HydrophobicContact CG-CD1 4.25Å; Y654-S686 PolarHBondContact OH-OG 2.95Å
655	Y	86.3	Confident	86.3	Confident	207 Å²	207	48.7 Å²	48.7	81%	0.812	24%	0.241	S	C	*	.	H	α-helix	trans	-68.3	-40.4	-179.6	-173.2	-98.1	0	0	0	113.1	D651 S652 V653	D651-Y655 PolarHBondContact O-N 3.4Å; D651-Y655 VanDerWaalsContact O-N 3.11Å; S652-Y655 PolarHBondContact O-N 3.32Å; V653-Y655 VanDerWaalsContact C-N 3.34Å; V653-Y655 PolarHBondContact O-N 3.08Å
656	R	84	Confident	86.4	Confident	109 Å²	109	49.8 Å²	49.8	41%	0.411	25%	0.248	S	C	.	.	H	α-helix	trans	-92.4	-34.7	-172.7	-161	165	178.5	-177.2	-11	113.8	D625 S652 V653	D625-R656 IonicContact OD1-CZ 2.72Å; D625-R656 IonicContact OD1-NH1 2.69Å; D625-R656 PolarHBondContact OD1-NH1 2.96Å; D625-R656 IonicContact OD1-NH2 3.09Å; D625-R656 PolarHBondContact OD1-NH2 2.83Å; S652-R656 PolarHBondContact O-N 3.17Å; V653-R656 PolarHBondContact O-N 3.24Å
657	Y	84	Confident	86.4	Confident	58 Å²	58	52.3 Å²	52.3	23%	0.227	26%	0.261	C	S	.	.			trans	-135.4	64.4	-176.9	-56.6	-71.4	0	0	0	112.1	M624 I627 V653 Q659 L660	M624-Y657 HydrophobicContact CB-CE2 4.34Å; M624-Y657 PolarHBondContact O-OH 3.45Å; M624-Y657 HydrophobicContact SD-CD2 4.03Å; M624-Y657 HydrophobicContact SD-CE2 4.02Å; I627-Y657 HydrophobicContact CD1-CD2 3.62Å; I627-Y657 HydrophobicContact CD1-CE2 3.85Å; I627-Y657 HydrophobicContact CD1-CG 4.39Å; I627-Y657 HydrophobicContact CG2-CE2 4.28Å; V653-Y657 CarbonylContact O-C 3.53Å; V653-Y657 VanDerWaalsContact O-C 3.31Å; V653-Y657 WeakPolarHBondContact O-CA 3.46Å; V653-Y657 PolarHBondContact O-N 3.18Å; Y657-Q659 PolarHBondContact O-N 3.1Å; Y657-L660 HydrophobicContact CG-CD1 4.42Å; Y657-L660 PolarHBondContact O-N 3.14Å
658	P	81.3	Confident	86.4	Confident	60 Å²	60	51.1 Å²	51.1	39%	0.39	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.3	-176.8	21	-31.7	0	0	0	114.2	I661	P658-I661 VanDerWaalsContact O-CG2 3.25Å; P658-I661 WeakPolarHBondContact O-CG2 3.43Å
659	Q	81.8	Confident	86.5	Confident	114 Å²	114	48 Å²	48	53%	0.533	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-28.9	173.7	62.5	-81	3.3	0	0	114.3	Y657	Y657-Q659 PolarHBondContact O-N 3.1Å
660	L	82.5	Confident	86.5	Confident	78 Å²	78	50.1 Å²	50.1	41%	0.408	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-16.7	-173.9	-62.1	179.5	0	0	0	113.2	I627 I632 Y657 G662	I627-L660 HydrophobicContact CD1-CD1 4.15Å; I632-L660 HydrophobicContact CD1-CB 3.82Å; I632-L660 HydrophobicContact CD1-CD1 4.25Å; Y657-L660 HydrophobicContact CG-CD1 4.42Å; Y657-L660 PolarHBondContact O-N 3.14Å; L660-G662 PolarHBondContact O-N 3.12Å
661	I	85.5	Confident	86.5	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.01	26%	0.26	C	S	.	.			trans	-73.7	-13.2	-175.8	-160	65.7	0	0	0	113.6	L650 V653 Y654 P658 Y664 L665 L668	L650-I661 HydrophobicContact CB-CD1 4.39Å; L650-I661 HydrophobicContact CD2-CD1 3.94Å; V653-I661 HydrophobicContact CB-CD1 4.16Å; V653-I661 HydrophobicContact CG1-CD1 3.88Å; Y654-I661 HydrophobicContact CD2-CG1 4.49Å; Y654-I661 HydrophobicContact CD2-CG2 4.02Å; P658-I661 VanDerWaalsContact O-CG2 3.25Å; P658-I661 WeakPolarHBondContact O-CG2 3.43Å; I661-Y664 CarbonylContact O-C 3.58Å; I661-Y664 WeakPolarHBondContact O-CA 3.32Å; I661-Y664 PolarHBondContact O-N 2.97Å; I661-L665 HydrophobicContact CG2-CD2 4.21Å; I661-L665 HydrophobicContact CG2-CG 4.12Å; I661-L665 PolarHBondContact O-N 3.39Å; I661-L665 VanDerWaalsContact O-N 3.12Å; I661-L668 HydrophobicContact CG1-CD2 4.23Å
662	G	82.9	Confident	86.5	Confident	30 Å²	30	49.4 Å²	49.4	31%	0.309	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-42.2	-55	-171.2	0	0	0	0	0	115	L660 Y664 L665	L660-G662 PolarHBondContact O-N 3.12Å; G662-Y664 PolarHBondContact O-N 2.75Å; G662-L665 PolarHBondContact O-N 3.1Å
663	P	86	Confident	86.6	Confident	109 Å²	109	49.8 Å²	49.8	71%	0.708	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-61.7	-24.6	179.3	-22.6	34	0	0	0	114.4
664	Y	88.9	Confident	86.5	Confident	26 Å²	26	56.5 Å²	56.5	10%	0.102	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-104.2	4.8	-175.5	-45.5	-77.8	0	0	0	113	I632 D633 V636 L650 I661 G662 T666 L667 L668	I632-Y664 HydrophobicContact CB-CE2 4.09Å; I632-Y664 HydrophobicContact CG2-CD2 4.04Å; I632-Y664 HydrophobicContact CG2-CE2 3.45Å; I632-Y664 VanDerWaalsContact CG2-CE2 3.45Å; D633-Y664 PolarHBondContact N-OH 3.48Å; D633-Y664 PolarHBondContact OD1-OH 3.26Å; D633-Y664 PolarHBondContact OD2-OH 3.43Å; V636-Y664 HydrophobicContact CG2-CD1 4.44Å; V636-Y664 HydrophobicContact CG2-CE1 4.27Å; L650-Y664 HydrophobicContact CD2-CG 4.26Å; I661-Y664 CarbonylContact O-C 3.58Å; I661-Y664 WeakPolarHBondContact O-CA 3.32Å; I661-Y664 PolarHBondContact O-N 2.97Å; G662-Y664 PolarHBondContact O-N 2.75Å; Y664-T666 PolarHBondContact O-N 3.06Å; Y664-L667 CarbonylContact O-C 3.5Å; Y664-L667 WeakPolarHBondContact O-CB 3.38Å; Y664-L667 PolarHBondContact O-N 3.04Å; Y664-L667 VanDerWaalsContact O-N 3.14Å; Y664-L668 WeakPolarHBondContact O-CB 3.33Å; Y664-L668 PolarHBondContact O-N 2.93Å
665	L	86.8	Confident	86.5	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-59.2	-43.5	-179.8	-86.9	164.6	0	0	0	112.2	I661 G662 L667 L668 I669 L683 R689	I661-L665 HydrophobicContact CG2-CD2 4.21Å; I661-L665 HydrophobicContact CG2-CG 4.12Å; I661-L665 PolarHBondContact O-N 3.39Å; I661-L665 VanDerWaalsContact O-N 3.12Å; G662-L665 PolarHBondContact O-N 3.1Å; L665-L667 VanDerWaalsContact C-N 3.3Å; L665-L667 PolarHBondContact O-N 2.82Å; L665-L668 PolarHBondContact O-N 3.27Å; L665-I669 WeakPolarHBondContact O-CB 3.32Å; L665-I669 VanDerWaalsContact O-CG1 3.26Å; L665-I669 WeakPolarHBondContact O-CG1 3.45Å; L665-I669 PolarHBondContact O-N 2.96Å; L665-L683 HydrophobicContact CD2-CD1 4.4Å; L665-R689 HydrophobicContact CD1-CB 3.93Å
666	T	87.4	Confident	86.4	Confident	43 Å²	43	49 Å²	49	26%	0.264	26%	0.256	S	S	.	.	H	α-helix	trans	-62.8	-39.6	176.7	-54.4	0	0	0	0	111.3	Y664 I669 S670 E694 L698	Y664-T666 PolarHBondContact O-N 3.06Å; T666-I669 PolarHBondContact O-N 2.83Å; T666-S670 PolarHBondContact O-N 3.09Å; T666-E694 PolarHBondContact OG1-OE2 2.81Å; T666-L698 HydrophobicContact CG2-CD1 4.04Å
667	L	88.2	Confident	86.4	Confident	56 Å²	56	48.7 Å²	48.7	29%	0.293	26%	0.255	S	S	.	.	H	α-helix	trans	-65.8	-45.5	175.6	-178	61.6	0	0	0	111.1	V636 L646 L650 Y664 L665 I669 S670 L671	V636-L667 HydrophobicContact CG1-CD2 4.32Å; L646-L667 HydrophobicContact CD2-CD2 4.37Å; L650-L667 HydrophobicContact CD1-CD2 3.91Å; L650-L667 HydrophobicContact CD1-CG 4.16Å; Y664-L667 CarbonylContact O-C 3.5Å; Y664-L667 WeakPolarHBondContact O-CB 3.38Å; Y664-L667 PolarHBondContact O-N 3.04Å; Y664-L667 VanDerWaalsContact O-N 3.14Å; L665-L667 VanDerWaalsContact C-N 3.3Å; L665-L667 PolarHBondContact O-N 2.82Å; L667-I669 VanDerWaalsContact C-N 3.34Å; L667-I669 PolarHBondContact O-N 3.24Å; L667-S670 WeakPolarHBondContact O-CB 3.39Å; L667-S670 PolarHBondContact O-N 3.34Å; L667-S670 VanDerWaalsContact O-N 3.12Å; L667-S670 PolarHBondContact O-OG 3.37Å; L667-L671 HydrophobicContact CG-CD1 4.17Å; L667-L671 WeakPolarHBondContact O-CG 3.49Å; L667-L671 PolarHBondContact O-N 3.16Å
668	L	89.5	Confident	86.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61	-41.8	176.3	-176.5	60.9	0	0	0	111.9	L650 Y654 I661 Y664 L665 S670 L671 Y672 L683	L650-L668 HydrophobicContact CB-CD1 3.94Å; Y654-L668 HydrophobicContact CD2-CD2 4.35Å; Y654-L668 HydrophobicContact CG-CD2 4.06Å; I661-L668 HydrophobicContact CG1-CD2 4.23Å; Y664-L668 WeakPolarHBondContact O-CB 3.33Å; Y664-L668 PolarHBondContact O-N 2.93Å; L665-L668 PolarHBondContact O-N 3.27Å; L668-S670 VanDerWaalsContact C-N 3.33Å; L668-S670 PolarHBondContact O-N 2.74Å; L668-L671 PolarHBondContact O-N 2.86Å; L668-Y672 HydrophobicContact CD1-CD1 3.84Å; L668-Y672 HydrophobicContact CD1-CE1 3.43Å; L668-Y672 VanDerWaalsContact CD1-CE1 3.43Å; L668-Y672 HydrophobicContact CG-CD1 4.3Å; L668-Y672 HydrophobicContact CG-CE1 4.01Å; L668-Y672 HydrophobicContact CG-CE2 4.34Å; L668-Y672 WeakPolarHBondContact O-CB 3.29Å; L668-Y672 PolarHBondContact O-N 2.96Å; L668-L683 HydrophobicContact CD2-CD2 4.19Å; L668-L683 HydrophobicContact CG-CD2 4.34Å
669	I	89.5	Confident	86.6	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-57.9	-47.6	173.1	-72.7	165.1	0	0	0	109.9	L665 T666 L667 L671 Y672 I673 L680 L683 L684 Y690 A695 L698	L665-I669 WeakPolarHBondContact O-CB 3.32Å; L665-I669 VanDerWaalsContact O-CG1 3.26Å; L665-I669 WeakPolarHBondContact O-CG1 3.45Å; L665-I669 PolarHBondContact O-N 2.96Å; T666-I669 PolarHBondContact O-N 2.83Å; L667-I669 VanDerWaalsContact C-N 3.34Å; L667-I669 PolarHBondContact O-N 3.24Å; I669-L671 VanDerWaalsContact C-N 3.28Å; I669-L671 PolarHBondContact O-N 2.81Å; I669-Y672 PolarHBondContact O-N 3.31Å; I669-I673 HydrophobicContact CG2-CD1 4.03Å; I669-I673 VanDerWaalsContact O-CG1 3.25Å; I669-I673 WeakPolarHBondContact O-CG1 3.5Å; I669-I673 PolarHBondContact O-N 2.77Å; I669-L680 HydrophobicContact CB-CD1 4.37Å; I669-L680 HydrophobicContact CG1-CD1 4.26Å; I669-L680 HydrophobicContact CG2-CD1 3.96Å; I669-L683 HydrophobicContact CG1-CD2 4.03Å; I669-L684 HydrophobicContact CD1-CD2 4.12Å; I669-L684 HydrophobicContact CG1-CD2 4.49Å; I669-Y690 HydrophobicContact CD1-CD1 4.49Å; I669-Y690 HydrophobicContact CD1-CG 4.11Å; I669-A695 HydrophobicContact CD1-CB 4.11Å; I669-L698 HydrophobicContact CG2-CD1 3.95Å
670	S	89.7	Confident	86.9	Confident	46 Å²	46	45.7 Å²	45.7	32%	0.322	25%	0.247	S	C	.	.	H	α-helix	trans	-61.7	-36	177.8	80.9	0	0	0	0	112.9	T666 L667 L668 K674	T666-S670 PolarHBondContact O-N 3.09Å; L667-S670 WeakPolarHBondContact O-CB 3.39Å; L667-S670 PolarHBondContact O-N 3.34Å; L667-S670 VanDerWaalsContact O-N 3.12Å; L667-S670 PolarHBondContact O-OG 3.37Å; L668-S670 VanDerWaalsContact C-N 3.33Å; L668-S670 PolarHBondContact O-N 2.74Å; S670-K674 PolarHBondContact O-N 3.08Å
671	L	90	Very high	87	Confident	10 Å²	10	43.9 Å²	43.9	5%	0.052	24%	0.238	C	C	.	.	H	α-helix	trans	-73.4	-39.2	177.4	-68.8	169.9	0	0	0	111.8	L646 L650 L667 L668 I669 I673 K674 F675	L646-L671 HydrophobicContact CD2-CD1 4.18Å; L646-L671 HydrophobicContact CG-CD1 3.99Å; L650-L671 HydrophobicContact CD1-CD1 3.76Å; L667-L671 HydrophobicContact CG-CD1 4.17Å; L667-L671 WeakPolarHBondContact O-CG 3.49Å; L667-L671 PolarHBondContact O-N 3.16Å; L668-L671 PolarHBondContact O-N 2.86Å; I669-L671 VanDerWaalsContact C-N 3.28Å; I669-L671 PolarHBondContact O-N 2.81Å; L671-I673 VanDerWaalsContact C-N 3.35Å; L671-K674 PolarHBondContact O-N 2.91Å; L671-K674 VanDerWaalsContact O-N 3.1Å; L671-F675 HydrophobicContact CB-CD2 4.42Å; L671-F675 HydrophobicContact CD2-CD2 4.18Å; L671-F675 HydrophobicContact CD2-CE2 3.8Å; L671-F675 WeakPolarHBondContact O-CD2 3.37Å; L671-F675 PolarHBondContact O-N 3.47Å
672	Y	90.5	Very high	87.1	Confident	5 Å²	5	47.5 Å²	47.5	2%	0.02	26%	0.261	C	S	.	.	H	α-helix	trans	-63.6	-40	173.6	-80	5.6	0	0	0	111.7	Y647 D651 L668 I669 K674 C676 R677 K679 L680 L683	Y647-Y672 AromaticContact CD2-CD1 3.83Å; Y647-Y672 HydrophobicContact CD2-CD1 3.83Å; Y647-Y672 AromaticContact CD2-CE1 3.91Å; Y647-Y672 HydrophobicContact CD2-CE1 3.91Å; Y647-Y672 AromaticContact CE2-CD1 3.57Å; Y647-Y672 HydrophobicContact CE2-CD1 3.57Å; Y647-Y672 AromaticContact CE2-CE1 3.47Å; Y647-Y672 HydrophobicContact CE2-CE1 3.47Å; Y647-Y672 VanDerWaalsContact CE2-CE1 3.47Å; D651-Y672 HydrophobicContact CB-CE1 4.38Å; D651-Y672 WeakPolarHBondContact OD1-CE1 3.17Å; D651-Y672 PolarHBondContact OD1-OH 2.92Å; L668-Y672 HydrophobicContact CD1-CD1 3.84Å; L668-Y672 HydrophobicContact CD1-CE1 3.43Å; L668-Y672 VanDerWaalsContact CD1-CE1 3.43Å; L668-Y672 HydrophobicContact CG-CD1 4.3Å; L668-Y672 HydrophobicContact CG-CE1 4.01Å; L668-Y672 HydrophobicContact CG-CE2 4.34Å; L668-Y672 WeakPolarHBondContact O-CB 3.29Å; L668-Y672 PolarHBondContact O-N 2.96Å; I669-Y672 PolarHBondContact O-N 3.31Å; Y672-K674 PolarHBondContact O-N 2.75Å; Y672-C676 CarbonylContact O-C 3.2Å; Y672-C676 WeakPolarHBondContact O-CA 3.37Å; Y672-C676 PolarHBondContact O-N 2.91Å; Y672-R677 PolarHBondContact O-N 3.39Å; Y672-K679 HydrophobicContact CD2-CB 4.09Å; Y672-K679 HydrophobicContact CE1-CD 4.49Å; Y672-K679 HydrophobicContact CE2-CB 3.82Å; Y672-L680 HydrophobicContact CD2-CD1 4.46Å; Y672-L683 HydrophobicContact CD2-CB 4.3Å; Y672-L683 HydrophobicContact CD2-CD2 3.72Å; Y672-L683 HydrophobicContact CE2-CB 3.92Å; Y672-L683 HydrophobicContact CE2-CD2 3.59Å; Y672-L683 HydrophobicContact CE2-CG 4.22Å
673	I	88.2	Confident	87.2	Confident	47 Å²	47	46.2 Å²	46.2	24%	0.241	25%	0.247	C	C	.	.	H	α-helix	trans	-57.1	-38.1	172.5	-67.4	169.3	0	0	0	110.7	I669 L671 L680 L698 A702 L704	I669-I673 HydrophobicContact CG2-CD1 4.03Å; I669-I673 VanDerWaalsContact O-CG1 3.25Å; I669-I673 WeakPolarHBondContact O-CG1 3.5Å; I669-I673 PolarHBondContact O-N 2.77Å; L671-I673 VanDerWaalsContact C-N 3.35Å; I673-L680 HydrophobicContact CD1-CD2 4.5Å; I673-L680 HydrophobicContact CG1-CD2 3.67Å; I673-L698 HydrophobicContact CD1-CB 3.86Å; I673-A702 HydrophobicContact CG2-CB 3.74Å; I673-L704 HydrophobicContact CD1-CD1 4.35Å; I673-L704 HydrophobicContact CG1-CD1 3.83Å; I673-L704 HydrophobicContact CG2-CD1 4.32Å
674	K	86.7	Confident	87.2	Confident	141 Å²	141	41 Å²	41	61%	0.613	21%	0.213	S	C	*	.	H	α-helix	trans	-81.7	-42.9	-177	-170.2	174.2	176.1	-176	0	114.1	S670 L671 Y672	S670-K674 PolarHBondContact O-N 3.08Å; L671-K674 PolarHBondContact O-N 2.91Å; L671-K674 VanDerWaalsContact O-N 3.1Å; Y672-K674 PolarHBondContact O-N 2.75Å
675	F	86.4	Confident	87.1	Confident	68 Å²	68	45.3 Å²	45.3	30%	0.298	23%	0.233	S	C	.	.	H	α-helix	trans	-112.1	-27	-168.8	-62.6	-68.2	0	0	0	114.5	S643 M644 Y647 L671	S643-F675 VanDerWaalsContact O-CE2 3.24Å; S643-F675 WeakPolarHBondContact O-CE2 3.29Å; M644-F675 HydrophobicContact CE-CD1 4.32Å; M644-F675 HydrophobicContact SD-CD1 4.19Å; Y647-F675 HydrophobicContact CD1-CB 4.26Å; Y647-F675 HydrophobicContact CD2-CB 4.45Å; Y647-F675 HydrophobicContact CG-CB 4.22Å; Y647-F675 HydrophobicContact CG-CD2 4.27Å; Y647-F675 HydrophobicContact CG-CG 4.49Å; L671-F675 HydrophobicContact CB-CD2 4.42Å; L671-F675 HydrophobicContact CD2-CD2 4.18Å; L671-F675 HydrophobicContact CD2-CE2 3.8Å; L671-F675 WeakPolarHBondContact O-CD2 3.37Å; L671-F675 PolarHBondContact O-N 3.47Å
676	C	84.9	Confident	87	Confident	23 Å²	23	48.4 Å²	48.4	16%	0.155	25%	0.254	C	S	.	.			trans	-155	78.9	-173.1	-160.1	0	0	0	0	113.2	Y647 Y672 S678 K679	Y647-C676 HydrophobicContact CE2-CB 4.11Å; Y672-C676 CarbonylContact O-C 3.2Å; Y672-C676 WeakPolarHBondContact O-CA 3.37Å; Y672-C676 PolarHBondContact O-N 2.91Å; C676-S678 VanDerWaalsContact C-N 3.27Å; C676-S678 PolarHBondContact O-N 3.45Å; C676-K679 PolarHBondContact O-N 3.23Å
677	R	83.3	Confident	86.7	Confident	104 Å²	104	47.7 Å²	47.7	39%	0.392	25%	0.25	S	S	.	.	H	α-helix	trans	-57.6	-36.9	179.6	-177.6	-179.6	172.9	-178.5	-0.3	112.9	Y672 K679 L680 L704 E707 D732	Y672-R677 PolarHBondContact O-N 3.39Å; R677-K679 PolarHBondContact O-N 3.25Å; R677-L680 VanDerWaalsContact O-CB 3.28Å; R677-L680 WeakPolarHBondContact O-CB 3.34Å; R677-L680 PolarHBondContact O-N 2.85Å; R677-L704 HydrophobicContact CG-CD2 4.27Å; R677-E707 IonicContact NE-OE1 2.72Å; R677-E707 IonicContact NE-OE2 2.94Å; R677-E707 IonicContact NH2-OE2 3.67Å; R677-D732 IonicContact NH2-OD1 3.56Å; R677-D732 PolarHBondContact NH2-OD1 2.88Å
678	S	84.2	Confident	86.2	Confident	95 Å²	95	50.1 Å²	50.1	66%	0.664	26%	0.263	S	S	*	.	H	α-helix	trans	-62.1	-28.7	-175.4	55.8	0	0	0	0	114.1	C676 P682	C676-S678 VanDerWaalsContact C-N 3.27Å; C676-S678 PolarHBondContact O-N 3.45Å; S678-P682 WeakPolarHBondContact O-CD 3.3Å
679	K	85.5	Confident	85.7	Confident	73 Å²	73	58.3 Å²	58.3	32%	0.317	29%	0.294	S	S	.	.	H	α-helix	trans	-83.3	-14.2	177.7	-71.7	-177.6	175	-178.8	0	113.7	Y647 D651 Y672 C676 R677 P682 L683	Y647-K679 PolarHBondContact OH-NZ 2.83Å; D651-K679 VanDerWaalsContact CG-NZ 3.34Å; D651-K679 IonicContact OD1-NZ 3.03Å; D651-K679 PolarHBondContact OD1-NZ 3.03Å; D651-K679 IonicContact OD2-NZ 2.75Å; D651-K679 PolarHBondContact OD2-NZ 3.3Å; Y672-K679 HydrophobicContact CD2-CB 4.09Å; Y672-K679 HydrophobicContact CE1-CD 4.49Å; Y672-K679 HydrophobicContact CE2-CB 3.82Å; C676-K679 PolarHBondContact O-N 3.23Å; R677-K679 PolarHBondContact O-N 3.25Å; K679-P682 WeakPolarHBondContact O-CD 3.18Å; K679-L683 WeakPolarHBondContact O-CB 3.19Å; K679-L683 PolarHBondContact O-N 2.98Å; K679-L683 VanDerWaalsContact O-N 3.1Å
680	L	88.3	Confident	85.4	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.9	-51.7	-175.4	-177.2	60.6	0	0	0	112.2	I669 Y672 I673 R677 L683 L684 L704 E707	I669-L680 HydrophobicContact CB-CD1 4.37Å; I669-L680 HydrophobicContact CG1-CD1 4.26Å; I669-L680 HydrophobicContact CG2-CD1 3.96Å; Y672-L680 HydrophobicContact CD2-CD1 4.46Å; I673-L680 HydrophobicContact CD1-CD2 4.5Å; I673-L680 HydrophobicContact CG1-CD2 3.67Å; R677-L680 VanDerWaalsContact O-CB 3.28Å; R677-L680 WeakPolarHBondContact O-CB 3.34Å; R677-L680 PolarHBondContact O-N 2.85Å; L680-L683 WeakPolarHBondContact O-CB 3.4Å; L680-L683 PolarHBondContact O-N 2.55Å; L680-L684 HydrophobicContact CD1-CD1 4.29Å; L680-L684 HydrophobicContact CD1-CG 4.24Å; L680-L684 HydrophobicContact CG-CD1 4.11Å; L680-L684 HydrophobicContact CG-CG 4.45Å; L680-L684 WeakPolarHBondContact O-CG 3.43Å; L680-L684 PolarHBondContact O-N 3.26Å; L680-L704 HydrophobicContact CD2-CD1 3.61Å; L680-E707 HydrophobicContact CB-CG 4.47Å; L680-E707 HydrophobicContact CD2-CB 4.46Å; L680-E707 HydrophobicContact CD2-CG 3.9Å; L680-E707 HydrophobicContact CG-CG 4.04Å
681	L	84.8	Confident	85.2	Confident	41 Å²	41	59 Å²	59	22%	0.215	30%	0.297	C	S	.	.	H	α-helix	trans	-62	-44	-179.8	-172.3	68.4	0	0	0	112.8	L683 L684 K685 P706 E707 Y710	L681-L683 PolarHBondContact O-N 3.43Å; L681-L684 PolarHBondContact O-N 3.24Å; L681-K685 HydrophobicContact CG-CD 4.43Å; L681-K685 WeakPolarHBondContact O-CG 3.41Å; L681-K685 PolarHBondContact O-N 3.4Å; L681-P706 HydrophobicContact CD2-CB 4.47Å; L681-E707 HydrophobicContact CB-CG 4.07Å; L681-E707 HydrophobicContact CD1-CG 4.18Å; L681-Y710 HydrophobicContact CD1-CD1 4.42Å; L681-Y710 HydrophobicContact CD1-CG 4.07Å
682	P	86.7	Confident	84.9	Confident	77 Å²	77	61.9 Å²	61.9	50%	0.5	31%	0.312	S	S	.	.	H	α-helix	trans	-55.6	-44	170.7	-27.6	34.4	0	0	0	114	S678 K679 K685 S686	S678-P682 WeakPolarHBondContact O-CD 3.3Å; K679-P682 WeakPolarHBondContact O-CD 3.18Å; P682-K685 PolarHBondContact O-N 3.43Å; P682-S686 WeakPolarHBondContact O-CB 3.25Å; P682-S686 PolarHBondContact O-N 3.43Å
683	L	86.4	Confident	84.7	Confident	3 Å²	3	66 Å²	66	2%	0.016	34%	0.341	C	S	.	.	H	α-helix	trans	-60.4	-49.3	176.8	177.2	71.2	0	0	0	110.9	Y654 L665 L668 I669 Y672 K679 L680 L681 K685 S686 T687	Y654-L683 HydrophobicContact CD1-CD1 4.19Å; Y654-L683 HydrophobicContact CD2-CD1 3.79Å; Y654-L683 HydrophobicContact CE1-CD1 3.69Å; Y654-L683 HydrophobicContact CE2-CD1 3.25Å; Y654-L683 HydrophobicContact CG-CD1 4.25Å; L665-L683 HydrophobicContact CD2-CD1 4.4Å; L668-L683 HydrophobicContact CD2-CD2 4.19Å; L668-L683 HydrophobicContact CG-CD2 4.34Å; I669-L683 HydrophobicContact CG1-CD2 4.03Å; Y672-L683 HydrophobicContact CD2-CB 4.3Å; Y672-L683 HydrophobicContact CD2-CD2 3.72Å; Y672-L683 HydrophobicContact CE2-CB 3.92Å; Y672-L683 HydrophobicContact CE2-CD2 3.59Å; Y672-L683 HydrophobicContact CE2-CG 4.22Å; K679-L683 WeakPolarHBondContact O-CB 3.19Å; K679-L683 PolarHBondContact O-N 2.98Å; K679-L683 VanDerWaalsContact O-N 3.1Å; L680-L683 WeakPolarHBondContact O-CB 3.4Å; L680-L683 PolarHBondContact O-N 2.55Å; L681-L683 PolarHBondContact O-N 3.43Å; L683-K685 PolarHBondContact O-N 2.88Å; L683-S686 PolarHBondContact O-N 3.07Å; L683-S686 VanDerWaalsContact O-N 3.07Å; L683-S686 PolarHBondContact O-OG 3.12Å; L683-T687 PolarHBondContact O-N 3.34Å
684	L	86.1	Confident	84.6	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-60.7	-32.2	179.6	-65.6	176	0	0	0	112.4	I669 L680 L681 Y690 A695 E707 Y710 L711	I669-L684 HydrophobicContact CD1-CD2 4.12Å; I669-L684 HydrophobicContact CG1-CD2 4.49Å; L680-L684 HydrophobicContact CD1-CD1 4.29Å; L680-L684 HydrophobicContact CD1-CG 4.24Å; L680-L684 HydrophobicContact CG-CD1 4.11Å; L680-L684 HydrophobicContact CG-CG 4.45Å; L680-L684 WeakPolarHBondContact O-CG 3.43Å; L680-L684 PolarHBondContact O-N 3.26Å; L681-L684 PolarHBondContact O-N 3.24Å; L684-Y690 HydrophobicContact CB-CE1 4.43Å; L684-Y690 HydrophobicContact CD2-CD1 4.29Å; L684-Y690 HydrophobicContact CD2-CD2 4.39Å; L684-Y690 HydrophobicContact CD2-CE1 3.72Å; L684-Y690 HydrophobicContact CD2-CE2 3.85Å; L684-Y690 PolarHBondContact O-OH 3.11Å; L684-A695 HydrophobicContact CD2-CB 4.46Å; L684-E707 HydrophobicContact CD1-CB 3.96Å; L684-E707 HydrophobicContact CD1-CG 4.25Å; L684-Y710 HydrophobicContact CB-CD1 3.94Å; L684-Y710 HydrophobicContact CB-CE1 3.84Å; L684-Y710 VanDerWaalsContact O-CE1 3.25Å; L684-Y710 WeakPolarHBondContact O-CE1 3.39Å; L684-Y710 PolarHBondContact O-OH 3.05Å; L684-L711 HydrophobicContact CD1-CD1 4.1Å; L684-L711 HydrophobicContact CD1-CD2 4.47Å; L684-L711 HydrophobicContact CD1-CG 4.24Å; L684-L711 HydrophobicContact CD2-CD2 4.33Å
685	K	85.7	Confident	84.6	Confident	117 Å²	117	61.6 Å²	61.6	51%	0.509	32%	0.322	S	S	.	.	H	α-helix	trans	-75.7	-29.2	175.6	-75	-177.4	176.8	-168.6	0	114.1	L681 P682 L683 Y710	L681-K685 HydrophobicContact CG-CD 4.43Å; L681-K685 WeakPolarHBondContact O-CG 3.41Å; L681-K685 PolarHBondContact O-N 3.4Å; P682-K685 PolarHBondContact O-N 3.43Å; L683-K685 PolarHBondContact O-N 2.88Å; K685-Y710 WeakPolarHBondContact CA-OH 3.3Å; K685-Y710 HydrophobicContact CD-CE2 4.43Å; K685-Y710 HydrophobicContact CG-CD2 4.03Å; K685-Y710 HydrophobicContact CG-CE1 4.2Å; K685-Y710 HydrophobicContact CG-CE2 3.58Å
686	S	84.5	Confident	84.7	Confident	66 Å²	66	59.1 Å²	59.1	46%	0.462	31%	0.312	S	S	.	.	H	α-helix	trans	-80.1	-29.7	-171.8	69.7	0	0	0	0	114.8	Y654 P682 L683	Y654-S686 PolarHBondContact OH-OG 2.95Å; P682-S686 WeakPolarHBondContact O-CB 3.25Å; P682-S686 PolarHBondContact O-N 3.43Å; L683-S686 PolarHBondContact O-N 3.07Å; L683-S686 VanDerWaalsContact O-N 3.07Å; L683-S686 PolarHBondContact O-OG 3.12Å
687	T	81.4	Confident	85	Confident	29 Å²	29	60.9 Å²	60.9	18%	0.178	33%	0.325	C	S	.	.			trans	-141.9	138.7	-164.6	-59.4	0	0	0	0	110.7	L683 R689 Y690	L683-T687 PolarHBondContact O-N 3.34Å; T687-R689 HydrophobicContact CG2-CB 3.75Å; T687-R689 HydrophobicContact CG2-CG 3.78Å; T687-Y690 WeakPolarHBondContact O-CD1 3.38Å; T687-Y690 WeakPolarHBondContact O-CE1 3.23Å
688	D	78	Confident	85.2	Confident	106 Å²	106	57.1 Å²	57.1	57%	0.567	31%	0.312	S	S	*	.	S	Bend	trans	-104.4	9.3	-179.5	-65.2	-18.3	0	0	0	113.5	R714	D688-R714 IonicContact OD1-CZ 3.38Å; D688-R714 IonicContact OD1-NH2 3.73Å; D688-R714 PolarHBondContact OD1-NH2 3.31Å; D688-R714 IonicContact OD2-NH2 2.64Å; D688-R714 PolarHBondContact OD2-NH2 3.48Å
689	R	78.5	Confident	85.5	Confident	172 Å²	172	52.6 Å²	52.6	65%	0.649	28%	0.28	S	S	*	.			trans	-85.1	-7	-170.2	-62.2	-177.7	179.6	-171.2	-0.6	114.4	L665 T687	L665-R689 HydrophobicContact CD1-CB 3.93Å; T687-R689 HydrophobicContact CG2-CB 3.75Å; T687-R689 HydrophobicContact CG2-CG 3.78Å
690	Y	83.3	Confident	85.6	Confident	7 Å²	7	53.5 Å²	53.5	3%	0.027	29%	0.286	C	S	.	.	S	Bend	trans	-84.3	150.5	177.3	55.4	-100.5	0	0	0	111	I669 L684 T687 L692 A695 L711	I669-Y690 HydrophobicContact CD1-CD1 4.49Å; I669-Y690 HydrophobicContact CD1-CG 4.11Å; L684-Y690 HydrophobicContact CB-CE1 4.43Å; L684-Y690 HydrophobicContact CD2-CD1 4.29Å; L684-Y690 HydrophobicContact CD2-CD2 4.39Å; L684-Y690 HydrophobicContact CD2-CE1 3.72Å; L684-Y690 HydrophobicContact CD2-CE2 3.85Å; L684-Y690 PolarHBondContact O-OH 3.11Å; T687-Y690 WeakPolarHBondContact O-CD1 3.38Å; T687-Y690 WeakPolarHBondContact O-CE1 3.23Å; Y690-L692 HydrophobicContact CE2-CD2 3.84Å; Y690-L692 HydrophobicContact CE2-CG 4.45Å; Y690-L692 PolarHBondContact O-N 3.43Å; Y690-A695 HydrophobicContact CD2-CB 3.66Å; Y690-A695 HydrophobicContact CE2-CB 3.97Å; Y690-L711 HydrophobicContact CE2-CD2 3.7Å
691	P	85.5	Confident	85.5	Confident	55 Å²	55	62.8 Å²	62.8	36%	0.357	32%	0.321	S	S	.	.			trans	-65.6	108.8	173.8	-15.7	29.1	0	0	0	110.4	S693 E694 A695	P691-S693 VanDerWaalsContact C-N 3.27Å; P691-S693 PolarHBondContact O-N 3.49Å; P691-E694 HydrophobicContact CB-CB 4.15Å; P691-E694 HydrophobicContact CB-CG 4.12Å; P691-E694 PolarHBondContact O-N 2.86Å; P691-A695 PolarHBondContact O-N 3.2Å
692	L	84.9	Confident	85.5	Confident	71 Å²	71	62.8 Å²	62.8	37%	0.372	33%	0.327	S	S	.	.	H	α-helix	trans	-54.6	-39.9	-175.5	-80.3	163.1	0	0	0	112.8	Y690 L696 L711 R714 V715	Y690-L692 HydrophobicContact CE2-CD2 3.84Å; Y690-L692 HydrophobicContact CE2-CG 4.45Å; Y690-L692 PolarHBondContact O-N 3.43Å; L692-L696 WeakPolarHBondContact O-CB 3.39Å; L692-L696 PolarHBondContact O-N 2.81Å; L692-L711 HydrophobicContact CD2-CD2 3.99Å; L692-R714 HydrophobicContact CD2-CB 4.46Å; L692-V715 HydrophobicContact CB-CG2 4.5Å
693	S	85.7	Confident	85.5	Confident	91 Å²	91	66.6 Å²	66.6	64%	0.636	34%	0.336	S	S	*	.	H	α-helix	trans	-68.2	-40.8	-179.9	51.6	0	0	0	0	113.1	P691 S697	P691-S693 VanDerWaalsContact C-N 3.27Å; P691-S693 PolarHBondContact O-N 3.49Å; S693-S697 WeakPolarHBondContact O-CB 3.29Å; S693-S697 PolarHBondContact O-N 2.75Å
694	E	85.9	Confident	85.5	Confident	94 Å²	94	67.1 Å²	67.1	44%	0.439	34%	0.338	S	S	.	.	H	α-helix	trans	-70	-46.4	178.2	-67.9	-177.9	-175.6	0	0	110.7	T666 P691 L696 S697 L698	T666-E694 PolarHBondContact OG1-OE2 2.81Å; P691-E694 HydrophobicContact CB-CB 4.15Å; P691-E694 HydrophobicContact CB-CG 4.12Å; P691-E694 PolarHBondContact O-N 2.86Å; E694-L696 VanDerWaalsContact C-N 3.27Å; E694-L696 PolarHBondContact O-N 3.3Å; E694-S697 PolarHBondContact O-N 2.96Å; E694-S697 VanDerWaalsContact O-N 3.13Å; E694-S697 PolarHBondContact O-OG 2.69Å; E694-L698 WeakPolarHBondContact O-CG 3.47Å; E694-L698 PolarHBondContact O-N 3.3Å
695	A	87.7	Confident	85.4	Confident	2 Å²	2	67.6 Å²	67.6	2%	0.017	34%	0.341	C	S	.	.	H	α-helix	trans	-58.1	-41.8	175.9	0	0	0	0	0	111.5	I669 L684 Y690 P691 L698 C699 L711	I669-A695 HydrophobicContact CD1-CB 4.11Å; L684-A695 HydrophobicContact CD2-CB 4.46Å; Y690-A695 HydrophobicContact CD2-CB 3.66Å; Y690-A695 HydrophobicContact CE2-CB 3.97Å; P691-A695 PolarHBondContact O-N 3.2Å; A695-L698 PolarHBondContact O-N 3.13Å; A695-C699 PolarHBondContact O-N 3.22Å; A695-C699 PolarHBondContact O-SG 3.49Å; A695-L711 HydrophobicContact CB-CD1 4.07Å
696	L	88	Confident	85.4	Confident	16 Å²	16	64.2 Å²	64.2	8%	0.084	33%	0.331	C	S	.	.	H	α-helix	trans	-62.1	-48	174.9	-176.9	67.3	0	0	0	110.8	L692 E694 L698 C699 E700 T708 L711 L712	L692-L696 WeakPolarHBondContact O-CB 3.39Å; L692-L696 PolarHBondContact O-N 2.81Å; E694-L696 VanDerWaalsContact C-N 3.27Å; E694-L696 PolarHBondContact O-N 3.3Å; L696-L698 VanDerWaalsContact C-N 3.29Å; L696-L698 PolarHBondContact O-N 2.69Å; L696-C699 PolarHBondContact O-N 3.14Å; L696-E700 HydrophobicContact CD1-CG 4.14Å; L696-E700 HydrophobicContact CG-CG 4.21Å; L696-E700 WeakPolarHBondContact O-CB 3.45Å; L696-E700 VanDerWaalsContact O-CG 3.3Å; L696-E700 WeakPolarHBondContact O-CG 3.48Å; L696-E700 PolarHBondContact O-N 3.48Å; L696-T708 HydrophobicContact CD1-CG2 3.86Å; L696-L711 HydrophobicContact CB-CD1 4.35Å; L696-L711 HydrophobicContact CD1-CB 3.78Å; L696-L711 HydrophobicContact CD1-CD1 4.49Å; L696-L712 HydrophobicContact CD1-CD2 4.14Å; L696-L712 HydrophobicContact CD1-CG 4.06Å; L696-L712 HydrophobicContact CD2-CD2 4.16Å
697	S	90	Very high	85.6	Confident	60 Å²	60	61.4 Å²	61.4	42%	0.42	31%	0.311	S	S	.	.	H	α-helix	trans	-60.8	-36.5	178.8	79.5	0	0	0	0	113.2	S693 E694 R701	S693-S697 WeakPolarHBondContact O-CB 3.29Å; S693-S697 PolarHBondContact O-N 2.75Å; E694-S697 PolarHBondContact O-N 2.96Å; E694-S697 VanDerWaalsContact O-N 3.13Å; E694-S697 PolarHBondContact O-OG 2.69Å; S697-R701 WeakPolarHBondContact O-CB 3.5Å; S697-R701 PolarHBondContact O-N 3.44Å
698	L	89.1	Confident	85.9	Confident	24 Å²	24	60.4 Å²	60.4	13%	0.126	30%	0.304	C	S	.	.	H	α-helix	trans	-68.7	-45.1	177.6	-70.9	-179.6	0	0	0	111	T666 I669 I673 E694 A695 L696 A702	T666-L698 HydrophobicContact CG2-CD1 4.04Å; I669-L698 HydrophobicContact CG2-CD1 3.95Å; I673-L698 HydrophobicContact CD1-CB 3.86Å; E694-L698 WeakPolarHBondContact O-CG 3.47Å; E694-L698 PolarHBondContact O-N 3.3Å; A695-L698 PolarHBondContact O-N 3.13Å; L696-L698 VanDerWaalsContact C-N 3.29Å; L696-L698 PolarHBondContact O-N 2.69Å; L698-A702 VanDerWaalsContact O-CB 3.24Å; L698-A702 WeakPolarHBondContact O-CB 3.21Å; L698-A702 PolarHBondContact O-N 3.06Å
699	C	88.7	Confident	86.4	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68.9	-40.8	178.6	-64.1	0	0	0	0	112.1	A695 L696 A702 K703 L704 E707 L711	A695-C699 PolarHBondContact O-N 3.22Å; A695-C699 PolarHBondContact O-SG 3.49Å; L696-C699 PolarHBondContact O-N 3.14Å; C699-A702 CarbonylContact O-C 3.51Å; C699-A702 PolarHBondContact O-N 3.4Å; C699-K703 PolarHBondContact O-N 3.2Å; C699-L704 HydrophobicContact CB-CB 4.34Å; C699-L704 PolarHBondContact O-N 2.96Å; C699-E707 HydrophobicContact CB-CB 4.46Å; C699-L711 HydrophobicContact CB-CD1 4.34Å
700	E	87.5	Confident	86.9	Confident	93 Å²	93	50 Å²	50	44%	0.435	26%	0.259	S	S	.	.	H	α-helix	trans	-62.9	-46.8	176.2	-76.8	-179.6	165.2	0	0	111.2	L696 A702 K703 T708	L696-E700 HydrophobicContact CD1-CG 4.14Å; L696-E700 HydrophobicContact CG-CG 4.21Å; L696-E700 WeakPolarHBondContact O-CB 3.45Å; L696-E700 VanDerWaalsContact O-CG 3.3Å; L696-E700 WeakPolarHBondContact O-CG 3.48Å; L696-E700 PolarHBondContact O-N 3.48Å; E700-A702 VanDerWaalsContact C-N 3.29Å; E700-A702 PolarHBondContact O-N 3.33Å; E700-K703 PolarHBondContact O-N 2.91Å; E700-T708 HydrophobicContact CG-CG2 3.7Å
701	R	87.3	Confident	87.1	Confident	194 Å²	194	49.7 Å²	49.7	73%	0.732	26%	0.258	S	S	*	.	H	α-helix	trans	-63.6	-35.9	177	-176.5	170.7	57.7	145.6	-0.4	112.1	S697 K703	S697-R701 WeakPolarHBondContact O-CB 3.5Å; S697-R701 PolarHBondContact O-N 3.44Å; R701-K703 PolarHBondContact O-N 3.03Å
702	A	85.2	Confident	87.3	Confident	41 Å²	41	47.4 Å²	47.4	34%	0.339	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-0.3	175.1	0	0	0	0	0	113.7	I673 L698 C699 E700 L704	I673-A702 HydrophobicContact CG2-CB 3.74Å; L698-A702 VanDerWaalsContact O-CB 3.24Å; L698-A702 WeakPolarHBondContact O-CB 3.21Å; L698-A702 PolarHBondContact O-N 3.06Å; C699-A702 CarbonylContact O-C 3.51Å; C699-A702 PolarHBondContact O-N 3.4Å; E700-A702 VanDerWaalsContact C-N 3.29Å; E700-A702 PolarHBondContact O-N 3.33Å; A702-L704 VanDerWaalsContact C-N 3.27Å; A702-L704 HydrophobicContact CB-CD1 3.88Å; A702-L704 HydrophobicContact CB-CD2 4.5Å; A702-L704 HydrophobicContact CB-CG 3.74Å; A702-L704 PolarHBondContact O-N 2.96Å
703	K	86.2	Confident	87.4	Confident	158 Å²	158	45.1 Å²	45.1	69%	0.687	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	37	-178.7	-57.2	-179.6	-179	178	0	113.6	C699 E700 R701 V705	C699-K703 PolarHBondContact O-N 3.2Å; E700-K703 PolarHBondContact O-N 2.91Å; R701-K703 PolarHBondContact O-N 3.03Å; K703-V705 PolarHBondContact O-N 3.25Å
704	L	85.5	Confident	87.3	Confident	13 Å²	13	46.5 Å²	46.5	7%	0.068	22%	0.223	C	C	.	.			trans	-87.2	96.7	-177.7	-61.2	178.8	0	0	0	110.5	I673 R677 L680 C699 A702 E707 T708	I673-L704 HydrophobicContact CD1-CD1 4.35Å; I673-L704 HydrophobicContact CG1-CD1 3.83Å; I673-L704 HydrophobicContact CG2-CD1 4.32Å; R677-L704 HydrophobicContact CG-CD2 4.27Å; L680-L704 HydrophobicContact CD2-CD1 3.61Å; C699-L704 HydrophobicContact CB-CB 4.34Å; C699-L704 PolarHBondContact O-N 2.96Å; A702-L704 VanDerWaalsContact C-N 3.27Å; A702-L704 HydrophobicContact CB-CD1 3.88Å; A702-L704 HydrophobicContact CB-CD2 4.5Å; A702-L704 HydrophobicContact CB-CG 3.74Å; A702-L704 PolarHBondContact O-N 2.96Å; L704-E707 HydrophobicContact CB-CB 4.25Å; L704-E707 WeakPolarHBondContact CB-OE2 3.39Å; L704-T708 WeakPolarHBondContact O-CB 3.5Å; L704-T708 PolarHBondContact O-N 3.29Å; L704-T708 PolarHBondContact O-OG1 3.26Å
705	V	85	Confident	87.3	Confident	11 Å²	11	45.4 Å²	45.4	7%	0.067	22%	0.223	C	C	.	.	H	α-helix	trans	-64.5	-54	-171.3	177.8	0	0	0	0	112.8	K703 E707 T708 V709 L724 R728	K703-V705 PolarHBondContact O-N 3.25Å; V705-E707 VanDerWaalsContact C-N 3.35Å; V705-E707 PolarHBondContact O-N 3.16Å; V705-T708 PolarHBondContact O-N 3.37Å; V705-V709 HydrophobicContact CG1-CG2 4.25Å; V705-V709 WeakPolarHBondContact O-CB 3.42Å; V705-V709 VanDerWaalsContact O-CG2 3.22Å; V705-V709 WeakPolarHBondContact O-CG2 3.4Å; V705-V709 PolarHBondContact O-N 3.21Å; V705-L724 HydrophobicContact CG1-CG 4.27Å; V705-R728 HydrophobicContact CG2-CB 4.03Å
706	P	85.2	Confident	87	Confident	45 Å²	45	47.3 Å²	47.3	29%	0.292	24%	0.243	S	C	.	.	H	α-helix	trans	-59.5	-42	-177.6	-23.2	33.1	0	0	0	113.8	L681 Y710	L681-P706 HydrophobicContact CD2-CB 4.47Å; P706-Y710 PolarHBondContact O-N 2.67Å; P706-Y710 VanDerWaalsContact O-N 3.09Å
707	E	88.5	Confident	87	Confident	8 Å²	8	52.1 Å²	52.1	4%	0.037	26%	0.26	C	S	.	.	H	α-helix	trans	-71.3	-40.3	-178.7	-62.7	85.8	169	0	0	111.4	R677 L680 L681 L684 C699 L704 V705 Y710 L711	R677-E707 IonicContact NE-OE1 2.72Å; R677-E707 IonicContact NE-OE2 2.94Å; R677-E707 IonicContact NH2-OE2 3.67Å; L680-E707 HydrophobicContact CB-CG 4.47Å; L680-E707 HydrophobicContact CD2-CB 4.46Å; L680-E707 HydrophobicContact CD2-CG 3.9Å; L680-E707 HydrophobicContact CG-CG 4.04Å; L681-E707 HydrophobicContact CB-CG 4.07Å; L681-E707 HydrophobicContact CD1-CG 4.18Å; L684-E707 HydrophobicContact CD1-CB 3.96Å; L684-E707 HydrophobicContact CD1-CG 4.25Å; C699-E707 HydrophobicContact CB-CB 4.46Å; L704-E707 HydrophobicContact CB-CB 4.25Å; L704-E707 WeakPolarHBondContact CB-OE2 3.39Å; V705-E707 VanDerWaalsContact C-N 3.35Å; V705-E707 PolarHBondContact O-N 3.16Å; E707-Y710 PolarHBondContact O-N 3.43Å; E707-L711 WeakPolarHBondContact O-CG 3.32Å; E707-L711 PolarHBondContact O-N 3.15Å
708	T	89.4	Confident	86.8	Confident	7 Å²	7	53.9 Å²	53.9	4%	0.043	26%	0.257	C	S	.	.	H	α-helix	trans	-66	-42.4	175.3	-56.7	0	0	0	0	111.1	L696 E700 L704 V705 Y710 L711 L712 L724	L696-T708 HydrophobicContact CD1-CG2 3.86Å; E700-T708 HydrophobicContact CG-CG2 3.7Å; L704-T708 WeakPolarHBondContact O-CB 3.5Å; L704-T708 PolarHBondContact O-N 3.29Å; L704-T708 PolarHBondContact O-OG1 3.26Å; V705-T708 PolarHBondContact O-N 3.37Å; T708-Y710 VanDerWaalsContact C-N 3.33Å; T708-Y710 PolarHBondContact O-N 2.86Å; T708-L711 PolarHBondContact O-N 3.38Å; T708-L712 HydrophobicContact CG2-CD1 3.9Å; T708-L712 HydrophobicContact CG2-CG 4.17Å; T708-L712 WeakPolarHBondContact O-CB 3.49Å; T708-L712 VanDerWaalsContact O-CG 3.29Å; T708-L712 WeakPolarHBondContact O-CG 3.37Å; T708-L712 PolarHBondContact O-N 2.69Å; T708-L724 HydrophobicContact CG2-CD2 3.66Å
709	V	88.4	Confident	86.6	Confident	17 Å²	17	56.6 Å²	56.6	10%	0.103	27%	0.269	C	S	.	.	H	α-helix	trans	-58.6	-45.2	175.3	166.2	0	0	0	0	111.1	V705 T713 A721 L724 I725 Y755	V705-V709 HydrophobicContact CG1-CG2 4.25Å; V705-V709 WeakPolarHBondContact O-CB 3.42Å; V705-V709 VanDerWaalsContact O-CG2 3.22Å; V705-V709 WeakPolarHBondContact O-CG2 3.4Å; V705-V709 PolarHBondContact O-N 3.21Å; V709-T713 WeakPolarHBondContact O-CB 3.41Å; V709-T713 PolarHBondContact O-N 3.41Å; V709-T713 PolarHBondContact O-OG1 2.99Å; V709-A721 HydrophobicContact CG1-CB 4.31Å; V709-L724 HydrophobicContact CG2-CB 4.32Å; V709-L724 HydrophobicContact CG2-CD2 3.92Å; V709-L724 HydrophobicContact CG2-CG 4.23Å; V709-I725 HydrophobicContact CB-CG1 4.45Å; V709-I725 HydrophobicContact CG1-CD1 3.7Å; V709-I725 HydrophobicContact CG1-CG1 3.9Å; V709-I725 HydrophobicContact CG2-CD1 4.37Å; V709-I725 HydrophobicContact CG2-CG1 3.64Å; V709-Y755 HydrophobicContact CG1-CD2 4.44Å; V709-Y755 HydrophobicContact CG1-CE2 4.28Å
710	Y	88.2	Confident	86.5	Confident	43 Å²	43	59.2 Å²	59.2	17%	0.169	28%	0.283	C	S	.	.	H	α-helix	trans	-60.3	-48.3	176.5	174	-100.7	0	0	0	111.5	L681 L684 K685 P706 E707 T708 T713 R714	L681-Y710 HydrophobicContact CD1-CD1 4.42Å; L681-Y710 HydrophobicContact CD1-CG 4.07Å; L684-Y710 HydrophobicContact CB-CD1 3.94Å; L684-Y710 HydrophobicContact CB-CE1 3.84Å; L684-Y710 VanDerWaalsContact O-CE1 3.25Å; L684-Y710 WeakPolarHBondContact O-CE1 3.39Å; L684-Y710 PolarHBondContact O-OH 3.05Å; K685-Y710 WeakPolarHBondContact CA-OH 3.3Å; K685-Y710 HydrophobicContact CD-CE2 4.43Å; K685-Y710 HydrophobicContact CG-CD2 4.03Å; K685-Y710 HydrophobicContact CG-CE1 4.2Å; K685-Y710 HydrophobicContact CG-CE2 3.58Å; P706-Y710 PolarHBondContact O-N 2.67Å; P706-Y710 VanDerWaalsContact O-N 3.09Å; E707-Y710 PolarHBondContact O-N 3.43Å; T708-Y710 VanDerWaalsContact C-N 3.33Å; T708-Y710 PolarHBondContact O-N 2.86Å; Y710-T713 PolarHBondContact O-N 2.91Å; Y710-R714 HydrophobicContact CE1-CG 4.03Å; Y710-R714 HydrophobicContact CE2-CG 4.05Å; Y710-R714 WeakPolarHBondContact O-CG 3.36Å; Y710-R714 PolarHBondContact O-N 3.21Å
711	L	88.3	Confident	86.6	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65.4	-43.1	179.6	-69.5	173.3	0	0	0	112.5	L684 Y690 L692 A695 L696 C699 E707 T708 T713 R714 V715	L684-L711 HydrophobicContact CD1-CD1 4.1Å; L684-L711 HydrophobicContact CD1-CD2 4.47Å; L684-L711 HydrophobicContact CD1-CG 4.24Å; L684-L711 HydrophobicContact CD2-CD2 4.33Å; Y690-L711 HydrophobicContact CE2-CD2 3.7Å; L692-L711 HydrophobicContact CD2-CD2 3.99Å; A695-L711 HydrophobicContact CB-CD1 4.07Å; L696-L711 HydrophobicContact CB-CD1 4.35Å; L696-L711 HydrophobicContact CD1-CB 3.78Å; L696-L711 HydrophobicContact CD1-CD1 4.49Å; C699-L711 HydrophobicContact CB-CD1 4.34Å; E707-L711 WeakPolarHBondContact O-CG 3.32Å; E707-L711 PolarHBondContact O-N 3.15Å; T708-L711 PolarHBondContact O-N 3.38Å; L711-T713 VanDerWaalsContact C-N 3.3Å; L711-T713 PolarHBondContact O-N 2.82Å; L711-R714 PolarHBondContact O-N 3.43Å; L711-V715 VanDerWaalsContact O-CG2 3.27Å; L711-V715 WeakPolarHBondContact O-CG2 3.37Å; L711-V715 PolarHBondContact O-N 3.44Å
712	L	87.8	Confident	86.6	Confident	8 Å²	8	45.5 Å²	45.5	4%	0.042	23%	0.227	C	C	.	.	H	α-helix	trans	-59.7	-40.7	175.2	-74.9	172.5	0	0	0	111.8	L696 T708 V715 G716 R717 D720 A721 L724	L696-L712 HydrophobicContact CD1-CD2 4.14Å; L696-L712 HydrophobicContact CD1-CG 4.06Å; L696-L712 HydrophobicContact CD2-CD2 4.16Å; T708-L712 HydrophobicContact CG2-CD1 3.9Å; T708-L712 HydrophobicContact CG2-CG 4.17Å; T708-L712 WeakPolarHBondContact O-CB 3.49Å; T708-L712 VanDerWaalsContact O-CG 3.29Å; T708-L712 WeakPolarHBondContact O-CG 3.37Å; T708-L712 PolarHBondContact O-N 2.69Å; L712-V715 PolarHBondContact O-N 3.1Å; L712-G716 PolarHBondContact O-N 2.88Å; L712-R717 HydrophobicContact CB-CB 4.5Å; L712-R717 HydrophobicContact CD2-CB 4.17Å; L712-R717 PolarHBondContact O-N 2.77Å; L712-D720 HydrophobicContact CD1-CB 4.34Å; L712-A721 HydrophobicContact CB-CB 3.87Å; L712-L724 HydrophobicContact CD1-CD2 4.14Å
713	T	87.8	Confident	86.7	Confident	23 Å²	23	48.9 Å²	48.9	14%	0.141	24%	0.236	C	C	.	.	H	α-helix	trans	-63.9	-42.9	176.7	-56.2	0	0	0	0	111.1	V709 Y710 L711 V715 G716 R718 Y755	V709-T713 WeakPolarHBondContact O-CB 3.41Å; V709-T713 PolarHBondContact O-N 3.41Å; V709-T713 PolarHBondContact O-OG1 2.99Å; Y710-T713 PolarHBondContact O-N 2.91Å; L711-T713 VanDerWaalsContact C-N 3.3Å; L711-T713 PolarHBondContact O-N 2.82Å; T713-V715 VanDerWaalsContact C-N 3.34Å; T713-V715 PolarHBondContact O-N 2.92Å; T713-G716 PolarHBondContact O-N 3.17Å; T713-R718 HydrophobicContact CG2-CG 4.5Å; T713-Y755 HydrophobicContact CG2-CE2 4.26Å; T713-Y755 WeakPolarHBondContact CG2-OH 3.45Å; T713-Y755 WeakPolarHBondContact OG1-CE2 3.24Å; T713-Y755 PolarHBondContact OG1-OH 3.26Å
714	R	84.6	Confident	86.8	Confident	120 Å²	120	42.9 Å²	42.9	45%	0.453	21%	0.211	S	C	.	.	H	α-helix	trans	-65.9	-34.5	176.6	-68.7	-73.6	-83.8	155.6	-8.7	112.9	D688 L692 Y710 L711 G716	D688-R714 IonicContact OD1-CZ 3.38Å; D688-R714 IonicContact OD1-NH2 3.73Å; D688-R714 PolarHBondContact OD1-NH2 3.31Å; D688-R714 IonicContact OD2-NH2 2.64Å; D688-R714 PolarHBondContact OD2-NH2 3.48Å; L692-R714 HydrophobicContact CD2-CB 4.46Å; Y710-R714 HydrophobicContact CE1-CG 4.03Å; Y710-R714 HydrophobicContact CE2-CG 4.05Å; Y710-R714 WeakPolarHBondContact O-CG 3.36Å; Y710-R714 PolarHBondContact O-N 3.21Å; L711-R714 PolarHBondContact O-N 3.43Å; R714-G716 PolarHBondContact O-N 2.97Å
715	V	85.5	Confident	86.9	Confident	71 Å²	71	42.8 Å²	42.8	43%	0.43	21%	0.211	S	C	.	.	H	α-helix	trans	-72.1	-11.9	173.7	176.1	0	0	0	0	111.8	L692 L711 L712 T713 R717	L692-V715 HydrophobicContact CB-CG2 4.5Å; L711-V715 VanDerWaalsContact O-CG2 3.27Å; L711-V715 WeakPolarHBondContact O-CG2 3.37Å; L711-V715 PolarHBondContact O-N 3.44Å; L712-V715 PolarHBondContact O-N 3.1Å; T713-V715 VanDerWaalsContact C-N 3.34Å; T713-V715 PolarHBondContact O-N 2.92Å; V715-R717 HydrophobicContact CG1-CG 4.17Å
716	G	81.5	Confident	86.9	Confident	42 Å²	42	43 Å²	43	43%	0.433	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	2.2	-179.1	0	0	0	0	0	114.2	L712 T713 R714 R718	L712-G716 PolarHBondContact O-N 2.88Å; T713-G716 PolarHBondContact O-N 3.17Å; R714-G716 PolarHBondContact O-N 2.97Å; G716-R718 PolarHBondContact O-N 2.9Å
717	R	87.3	Confident	86.9	Confident	116 Å²	116	44.3 Å²	44.3	44%	0.438	22%	0.219	S	C	.	.			trans	-83.8	58	177.5	-65.4	176.6	65.7	-169	-1.3	111.1	L712 V715 H719 D720 A721	L712-R717 HydrophobicContact CB-CB 4.5Å; L712-R717 HydrophobicContact CD2-CB 4.17Å; L712-R717 PolarHBondContact O-N 2.77Å; V715-R717 HydrophobicContact CG1-CG 4.17Å; R717-H719 VanDerWaalsContact C-N 3.34Å; R717-H719 PolarHBondContact O-N 3.4Å; R717-D720 HydrophobicContact CB-CB 4.23Å; R717-D720 IonicContact CZ-OD2 3.98Å; R717-D720 IonicContact NE-OD2 2.69Å; R717-D720 PolarHBondContact NE-OD2 2.91Å; R717-D720 IonicContact NH2-OD2 2.82Å; R717-D720 PolarHBondContact NH2-OD2 3.34Å; R717-D720 PolarHBondContact O-N 2.97Å; R717-A721 PolarHBondContact O-N 2.94Å
718	R	85.4	Confident	86.6	Confident	97 Å²	97	49.2 Å²	49.2	37%	0.366	24%	0.237	S	C	.	.	H	α-helix	trans	-62.4	-35.9	-175.4	-66	-179.5	175	87.3	1	113.5	T713 G716 A721 L722 E759	T713-R718 HydrophobicContact CG2-CG 4.5Å; G716-R718 PolarHBondContact O-N 2.9Å; R718-A721 PolarHBondContact O-N 3.03Å; R718-L722 WeakPolarHBondContact O-CB 3.28Å; R718-L722 PolarHBondContact O-N 2.72Å; R718-E759 WeakPolarHBondContact CD-OE2 3.25Å; R718-E759 IonicContact CZ-OE2 3.67Å; R718-E759 IonicContact NE-OE2 3.78Å; R718-E759 PolarHBondContact NE-OE2 2.81Å; R718-E759 IonicContact NH2-OE2 3.43Å
719	H	85.2	Confident	85.8	Confident	81 Å²	81	48.9 Å²	48.9	38%	0.375	24%	0.235	S	C	.	.	H	α-helix	trans	-65.5	-43	176.1	-69.5	-58.7	0	0	0	112.1	R717 A721 L722 Q723 Q800	R717-H719 VanDerWaalsContact C-N 3.34Å; R717-H719 PolarHBondContact O-N 3.4Å; H719-A721 VanDerWaalsContact C-N 3.32Å; H719-A721 PolarHBondContact O-N 3.19Å; H719-L722 PolarHBondContact O-N 3.09Å; H719-Q723 VanDerWaalsContact O-CB 3.25Å; H719-Q723 WeakPolarHBondContact O-CB 3.38Å; H719-Q723 PolarHBondContact O-N 3.4Å; H719-Q800 PolarHBondContact CE1-NE2 3Å; H719-Q800 PolarHBondContact ND1-NE2 2.99Å; H719-Q800 PolarHBondContact ND1-OE1 3.37Å
720	D	86.8	Confident	84.9	Confident	55 Å²	55	48.2 Å²	48.2	29%	0.294	23%	0.232	S	C	.	.	H	α-helix	trans	-68.1	-37.1	177.9	-59.6	-26.7	0	0	0	111	L712 R717 Q723 L724	L712-D720 HydrophobicContact CD1-CB 4.34Å; R717-D720 HydrophobicContact CB-CB 4.23Å; R717-D720 IonicContact CZ-OD2 3.98Å; R717-D720 IonicContact NE-OD2 2.69Å; R717-D720 PolarHBondContact NE-OD2 2.91Å; R717-D720 IonicContact NH2-OD2 2.82Å; R717-D720 PolarHBondContact NH2-OD2 3.34Å; R717-D720 PolarHBondContact O-N 2.97Å; D720-Q723 PolarHBondContact O-N 3.27Å; D720-L724 VanDerWaalsContact O-CB 3.3Å; D720-L724 WeakPolarHBondContact O-CB 3.45Å; D720-L724 PolarHBondContact O-N 3.18Å
721	A	88.8	Confident	84	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.3	-51.1	172.3	0	0	0	0	0	111	V709 L712 R717 R718 H719 Q723 L724 I725	V709-A721 HydrophobicContact CG1-CB 4.31Å; L712-A721 HydrophobicContact CB-CB 3.87Å; R717-A721 PolarHBondContact O-N 2.94Å; R718-A721 PolarHBondContact O-N 3.03Å; H719-A721 VanDerWaalsContact C-N 3.32Å; H719-A721 PolarHBondContact O-N 3.19Å; A721-Q723 VanDerWaalsContact C-N 3.35Å; A721-Q723 PolarHBondContact O-N 3.38Å; A721-L724 WeakPolarHBondContact O-CB 3.42Å; A721-L724 PolarHBondContact O-N 3.06Å; A721-I725 WeakPolarHBondContact O-CG1 3.17Å; A721-I725 PolarHBondContact O-N 3.4Å
722	L	88.3	Confident	82.6	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.8	-42	177.5	-177.7	61.6	0	0	0	111.6	R718 H719 L724 I725 M726 Y755 L797 Q800 V801	R718-L722 WeakPolarHBondContact O-CB 3.28Å; R718-L722 PolarHBondContact O-N 2.72Å; H719-L722 PolarHBondContact O-N 3.09Å; L722-L724 VanDerWaalsContact C-N 3.31Å; L722-L724 PolarHBondContact O-N 3.37Å; L722-I725 PolarHBondContact O-N 3.26Å; L722-M726 HydrophobicContact CD1-CG 4.34Å; L722-M726 HydrophobicContact CD2-CE 4.48Å; L722-M726 HydrophobicContact CG-CE 3.98Å; L722-M726 HydrophobicContact CG-CG 4.42Å; L722-M726 HydrophobicContact CG-SD 4.21Å; L722-M726 WeakPolarHBondContact O-CB 3.38Å; L722-M726 VanDerWaalsContact O-CG 3.29Å; L722-M726 WeakPolarHBondContact O-CG 3.36Å; L722-M726 PolarHBondContact O-N 2.91Å; L722-Y755 HydrophobicContact CB-CD1 4.41Å; L722-Y755 HydrophobicContact CB-CE1 4.23Å; L722-Y755 HydrophobicContact CD1-CD1 3.99Å; L722-L797 HydrophobicContact CD2-CB 4.12Å; L722-L797 HydrophobicContact CD2-CD2 3.89Å; L722-Q800 HydrophobicContact CD2-CB 4.21Å; L722-V801 HydrophobicContact CD1-CG2 3.97Å; L722-V801 HydrophobicContact CD2-CG2 4.02Å; L722-V801 HydrophobicContact CG-CG2 4.43Å
723	Q	88	Confident	80.9	Confident	111 Å²	111	55.1 Å²	55.1	52%	0.519	27%	0.271	S	S	.	.	H	α-helix	trans	-62.2	-39.7	176.2	-175.6	172.7	-5	0	0	111.8	H719 D720 A721 M726 T727	H719-Q723 VanDerWaalsContact O-CB 3.25Å; H719-Q723 WeakPolarHBondContact O-CB 3.38Å; H719-Q723 PolarHBondContact O-N 3.4Å; D720-Q723 PolarHBondContact O-N 3.27Å; A721-Q723 VanDerWaalsContact C-N 3.35Å; A721-Q723 PolarHBondContact O-N 3.38Å; Q723-M726 HydrophobicContact CB-CE 4.49Å; Q723-M726 PolarHBondContact O-N 3.14Å; Q723-T727 HydrophobicContact CG-CG2 4.44Å; Q723-T727 WeakPolarHBondContact O-CB 3.38Å; Q723-T727 VanDerWaalsContact O-CG2 3.31Å; Q723-T727 WeakPolarHBondContact O-CG2 3.11Å; Q723-T727 PolarHBondContact O-N 3.3Å; Q723-T727 PolarHBondContact O-OG1 3.3Å
724	L	87.6	Confident	79.3	Confident	32 Å²	32	58.5 Å²	58.5	17%	0.168	30%	0.296	C	S	.	.	H	α-helix	trans	-65	-40.4	175.4	-173.4	62.8	0	0	0	111.4	V705 T708 V709 L712 D720 A721 L722 T727 R728	V705-L724 HydrophobicContact CG1-CG 4.27Å; T708-L724 HydrophobicContact CG2-CD2 3.66Å; V709-L724 HydrophobicContact CG2-CB 4.32Å; V709-L724 HydrophobicContact CG2-CD2 3.92Å; V709-L724 HydrophobicContact CG2-CG 4.23Å; L712-L724 HydrophobicContact CD1-CD2 4.14Å; D720-L724 VanDerWaalsContact O-CB 3.3Å; D720-L724 WeakPolarHBondContact O-CB 3.45Å; D720-L724 PolarHBondContact O-N 3.18Å; A721-L724 WeakPolarHBondContact O-CB 3.42Å; A721-L724 PolarHBondContact O-N 3.06Å; L722-L724 VanDerWaalsContact C-N 3.31Å; L722-L724 PolarHBondContact O-N 3.37Å; L724-T727 PolarHBondContact O-OG1 3.35Å; L724-R728 HydrophobicContact CD1-CB 4.48Å; L724-R728 HydrophobicContact CD1-CG 4.5Å; L724-R728 PolarHBondContact O-N 3.19Å
725	I	86.6	Confident	77.4	Confident	11 Å²	11	59.7 Å²	59.7	6%	0.056	32%	0.319	C	S	.	.	H	α-helix	trans	-63.3	-47.9	173.8	-61.5	166.9	0	0	0	110.8	V709 A721 L722 T727 G729 K751 Y755	V709-I725 HydrophobicContact CB-CG1 4.45Å; V709-I725 HydrophobicContact CG1-CD1 3.7Å; V709-I725 HydrophobicContact CG1-CG1 3.9Å; V709-I725 HydrophobicContact CG2-CD1 4.37Å; V709-I725 HydrophobicContact CG2-CG1 3.64Å; A721-I725 WeakPolarHBondContact O-CG1 3.17Å; A721-I725 PolarHBondContact O-N 3.4Å; L722-I725 PolarHBondContact O-N 3.26Å; I725-T727 VanDerWaalsContact C-N 3.27Å; I725-T727 PolarHBondContact O-N 3.37Å; I725-G729 WeakPolarHBondContact O-CA 3.28Å; I725-G729 PolarHBondContact O-N 3.01Å; I725-K751 HydrophobicContact CG2-CB 3.57Å; I725-Y755 HydrophobicContact CD1-CD1 4.2Å; I725-Y755 HydrophobicContact CD1-CD2 3.7Å; I725-Y755 HydrophobicContact CD1-CE2 4.38Å; I725-Y755 HydrophobicContact CD1-CG 3.59Å
726	M	86.5	Confident	75.9	Confident	15 Å²	15	60 Å²	60	7%	0.074	34%	0.337	C	S	.	.	H	α-helix	trans	-64.5	-31.9	-177.7	-72.5	-173.2	-57.5	0	0	112.6	L722 Q723 S752 V801 F804 F811	L722-M726 HydrophobicContact CD1-CG 4.34Å; L722-M726 HydrophobicContact CD2-CE 4.48Å; L722-M726 HydrophobicContact CG-CE 3.98Å; L722-M726 HydrophobicContact CG-CG 4.42Å; L722-M726 HydrophobicContact CG-SD 4.21Å; L722-M726 WeakPolarHBondContact O-CB 3.38Å; L722-M726 VanDerWaalsContact O-CG 3.29Å; L722-M726 WeakPolarHBondContact O-CG 3.36Å; L722-M726 PolarHBondContact O-N 2.91Å; Q723-M726 HydrophobicContact CB-CE 4.49Å; Q723-M726 PolarHBondContact O-N 3.14Å; M726-S752 VanDerWaalsContact CG-OG 3.29Å; M726-S752 WeakPolarHBondContact CG-OG 3.42Å; M726-V801 HydrophobicContact SD-CG2 4.18Å; M726-F804 HydrophobicContact CB-CD1 3.94Å; M726-F804 HydrophobicContact CB-CD2 4.36Å; M726-F804 HydrophobicContact CB-CE1 3.8Å; M726-F804 HydrophobicContact CB-CE2 4.22Å; M726-F804 HydrophobicContact CB-CG 4.21Å; M726-F804 HydrophobicContact CB-CZ 3.94Å; M726-F804 HydrophobicContact CE-CB 4.2Å; M726-F804 HydrophobicContact CE-CD2 4.28Å; M726-F804 HydrophobicContact CE-CG 4.23Å; M726-F804 HydrophobicContact CG-CD1 4.2Å; M726-F804 HydrophobicContact CG-CG 4.42Å; M726-F804 WeakPolarHBondContact O-CE1 3.33Å; M726-F804 WeakPolarHBondContact O-CZ 2.79Å; M726-F804 HydrophobicContact SD-CB 3.56Å; M726-F804 VanDerWaalsContact SD-CB 3.56Å; M726-F804 HydrophobicContact SD-CD1 3.94Å; M726-F804 HydrophobicContact SD-CD2 4.28Å; M726-F804 HydrophobicContact SD-CG 3.66Å; M726-F811 HydrophobicContact CG-CZ 4.31Å
727	T	84.8	Confident	74.6	Confident	74 Å²	74	65.1 Å²	65.1	45%	0.454	35%	0.35	S	S	.	.	H	α-helix	trans	-91.5	-36.8	-177.4	54	0	0	0	0	113.8	Q723 L724 I725 F804	Q723-T727 HydrophobicContact CG-CG2 4.44Å; Q723-T727 WeakPolarHBondContact O-CB 3.38Å; Q723-T727 VanDerWaalsContact O-CG2 3.31Å; Q723-T727 WeakPolarHBondContact O-CG2 3.11Å; Q723-T727 PolarHBondContact O-N 3.3Å; Q723-T727 PolarHBondContact O-OG1 3.3Å; L724-T727 PolarHBondContact O-OG1 3.35Å; I725-T727 VanDerWaalsContact C-N 3.27Å; I725-T727 PolarHBondContact O-N 3.37Å; T727-F804 HydrophobicContact CG2-CE2 4.32Å; T727-F804 HydrophobicContact CG2-CZ 4.45Å
728	R	82.7	Confident	73	Confident	110 Å²	110	65.3 Å²	65.3	42%	0.415	37%	0.369	S	S	.	.	H	α-helix	trans	-126.9	-0.3	-172.7	-64.4	-167.6	-180	168.1	2.7	115.3	V705 L724 G730 E731	V705-R728 HydrophobicContact CG2-CB 4.03Å; L724-R728 HydrophobicContact CD1-CB 4.48Å; L724-R728 HydrophobicContact CD1-CG 4.5Å; L724-R728 PolarHBondContact O-N 3.19Å; R728-G730 PolarHBondContact O-N 3.47Å; R728-E731 WeakPolarHBondContact O-CB 3.44Å; R728-E731 PolarHBondContact O-N 2.73Å
729	G	72.7	Confident	72.1	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.01	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-60.2	-21.8	-178.4	0	0	0	0	0	114.2	I725 K751	I725-G729 WeakPolarHBondContact O-CA 3.28Å; I725-G729 PolarHBondContact O-N 3.01Å; G729-K751 WeakPolarHBondContact O-CD 3.45Å; G729-K751 WeakPolarHBondContact O-CE 3.3Å; G729-K751 PolarHBondContact O-NZ 2.85Å
730	G	68.1	Low	71.8	Confident	3 Å²	3	61 Å²	61	3%	0.031	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-83.5	-2.7	175.2	0	0	0	0	0	115.5	R728 S733 R744	R728-G730 PolarHBondContact O-N 3.47Å; G730-S733 PolarHBondContact O-OG 2.77Å; G730-R744 WeakPolarHBondContact O-CG 3.19Å
731	E	69	Low	71.4	Confident	108 Å²	108	61.5 Å²	61.5	51%	0.505	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-90.7	-9	-174.7	-60.4	-176	158.1	0	0	113.9	R728 S733	R728-E731 WeakPolarHBondContact O-CB 3.44Å; R728-E731 PolarHBondContact O-N 2.73Å; E731-S733 PolarHBondContact O-N 2.96Å
732	D	59.9	Low	70.9	Confident	50 Å²	50	66.2 Å²	66.2	27%	0.267	39%	0.387	S	S	.	.			trans	-79.8	11.4	-178.6	-68.5	-51.4	0	0	0	114.4	R677 S734 K751	R677-D732 IonicContact NH2-OD1 3.56Å; R677-D732 PolarHBondContact NH2-OD1 2.88Å; D732-S734 PolarHBondContact O-N 2.64Å; D732-K751 IonicContact OD2-NZ 3.65Å; D732-K751 PolarHBondContact OD2-NZ 3.22Å; D732-K751 VanDerWaalsContact OD2-NZ 3.09Å
733	S	52.9	Low	70.5	Confident	38 Å²	38	71 Å²	71	27%	0.266	41%	0.409	S	S	.	.	S	Bend	trans	-62.5	131.5	174.2	-40.2	0	0	0	0	109.5	G730 E731	G730-S733 PolarHBondContact O-OG 2.77Å; E731-S733 PolarHBondContact O-N 2.96Å
734	S	52.4	Low	70.1	Confident	94 Å²	94	70.4 Å²	70.4	66%	0.657	40%	0.403	S	S	*	.			trans	-42.5	140.3	176.5	-59.9	0	0	0	0	111.7	D732 G736	D732-S734 PolarHBondContact O-N 2.64Å; S734-G736 PolarHBondContact O-N 2.92Å
735	P	45.3	Very low	69.9	Low	144 Å²	144	71.7 Å²	71.7	94%	0.935	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	97.7	-175.9	26.2	-32.4	0	0	0	109.5
736	G	53.4	Low	69.6	Low	79 Å²	79	72.9 Å²	72.9	81%	0.814	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	162.3	-26.2	-176.3	0	0	0	0	0	115.6	S734	S734-G736 PolarHBondContact O-N 2.92Å
737	E	54.3	Low	69.5	Low	149 Å²	149	75 Å²	75	70%	0.696	43%	0.43	S	S	*	.			trans	-99.9	118.5	179.2	-81	-178.6	154.4	0	0	112.2	T739	E737-T739 VanDerWaalsContact C-N 3.26Å; E737-T739 HydrophobicContact CB-CG2 4.44Å; E737-T739 PolarHBondContact O-N 3.45Å
738	S	55.2	Low	69.5	Low	120 Å²	120	71.6 Å²	71.6	84%	0.839	41%	0.41	S	S	*	.			trans	-75.3	78	172.2	54.2	0	0	0	0	110.4	T740	S738-T740 PolarHBondContact O-N 3.19Å
739	T	65.3	Low	69.6	Low	29 Å²	29	66.4 Å²	66.4	18%	0.178	39%	0.39	C	S	.	.			trans	-68.4	127.1	178.7	54.1	0	0	0	0	111.1	E737 R744	E737-T739 VanDerWaalsContact C-N 3.26Å; E737-T739 HydrophobicContact CB-CG2 4.44Å; E737-T739 PolarHBondContact O-N 3.45Å; T739-R744 WeakPolarHBondContact OG1-CD 3.37Å; T739-R744 VanDerWaalsContact OG1-CG 3.23Å; T739-R744 WeakPolarHBondContact OG1-CG 3.26Å
740	T	80.2	Confident	70.2	Confident	58 Å²	58	68.5 Å²	68.5	36%	0.356	41%	0.407	S	S	.	.			trans	-62.8	155.1	177.1	81	0	0	0	0	110.3	S738 E742 Q743 R744	S738-T740 PolarHBondContact O-N 3.19Å; T740-E742 VanDerWaalsContact CB-OE2 3.22Å; T740-E742 WeakPolarHBondContact CB-OE2 3.31Å; T740-E742 PolarHBondContact O-N 3.41Å; T740-E742 PolarHBondContact OG1-OE2 2.83Å; T740-Q743 VanDerWaalsContact N-OE1 3.1Å; T740-Q743 PolarHBondContact O-N 3.35Å; T740-Q743 VanDerWaalsContact O-N 3.09Å; T740-Q743 WeakPolarHBondContact OG1-CG 3.34Å; T740-Q743 PolarHBondContact OG1-N 2.94Å; T740-R744 PolarHBondContact O-N 3.27Å
741	P	77.6	Confident	71	Confident	66 Å²	66	71.4 Å²	71.4	43%	0.429	42%	0.419	S	S	.	.	H	α-helix	trans	-56.9	-32.4	177.6	22.7	-32.1	0	0	0	112.4	R744 Q745	P741-R744 PolarHBondContact O-N 2.91Å; P741-Q745 WeakPolarHBondContact O-CG 3.25Å; P741-Q745 PolarHBondContact O-N 3.25Å
742	E	77.5	Confident	71.8	Confident	99 Å²	99	66.3 Å²	66.3	46%	0.463	40%	0.395	S	S	.	.	H	α-helix	trans	-67.4	-41.9	175.2	-56.9	78.4	-163.3	0	0	112.2	T740 R744 Q745 A746 A810	T740-E742 VanDerWaalsContact CB-OE2 3.22Å; T740-E742 WeakPolarHBondContact CB-OE2 3.31Å; T740-E742 PolarHBondContact O-N 3.41Å; T740-E742 PolarHBondContact OG1-OE2 2.83Å; E742-R744 VanDerWaalsContact C-N 3.35Å; E742-Q745 WeakPolarHBondContact O-CB 3.41Å; E742-Q745 PolarHBondContact O-N 3.29Å; E742-A746 PolarHBondContact O-N 2.98Å; E742-A810 HydrophobicContact CB-CB 3.73Å; E742-A810 HydrophobicContact CG-CB 4.29Å; E742-A810 WeakPolarHBondContact O-CB 3.5Å
743	Q	79.8	Confident	73	Confident	99 Å²	99	64.2 Å²	64.2	46%	0.463	38%	0.384	S	S	.	.	H	α-helix	trans	-64.1	-41.1	176.3	-72.6	173.9	-18.4	0	0	111.4	T740 Q745 A746 I747	T740-Q743 VanDerWaalsContact N-OE1 3.1Å; T740-Q743 PolarHBondContact O-N 3.35Å; T740-Q743 VanDerWaalsContact O-N 3.09Å; T740-Q743 WeakPolarHBondContact OG1-CG 3.34Å; T740-Q743 PolarHBondContact OG1-N 2.94Å; Q743-Q745 VanDerWaalsContact C-N 3.32Å; Q743-Q745 PolarHBondContact O-N 3.22Å; Q743-A746 PolarHBondContact O-N 3.04Å; Q743-I747 VanDerWaalsContact O-CG1 3.31Å; Q743-I747 WeakPolarHBondContact O-CG1 3.23Å; Q743-I747 PolarHBondContact O-N 3.41Å
744	R	81	Confident	74.5	Confident	100 Å²	100	68.6 Å²	68.6	38%	0.377	40%	0.4	S	S	.	.	H	α-helix	trans	-62.5	-39.9	175.3	-71	-170.8	-81.6	153.6	-4.1	112.1	G730 T739 T740 P741 E742 I747 A748	G730-R744 WeakPolarHBondContact O-CG 3.19Å; T739-R744 WeakPolarHBondContact OG1-CD 3.37Å; T739-R744 VanDerWaalsContact OG1-CG 3.23Å; T739-R744 WeakPolarHBondContact OG1-CG 3.26Å; T740-R744 PolarHBondContact O-N 3.27Å; P741-R744 PolarHBondContact O-N 2.91Å; E742-R744 VanDerWaalsContact C-N 3.35Å; R744-I747 PolarHBondContact O-N 3.08Å; R744-A748 WeakPolarHBondContact O-CB 3.34Å; R744-A748 PolarHBondContact O-N 3.34Å
745	Q	82.4	Confident	76.1	Confident	58 Å²	58	64.9 Å²	64.9	27%	0.271	37%	0.372	S	S	.	.	H	α-helix	trans	-63.8	-41.6	173.7	-73.6	176.7	11.7	0	0	112	P741 E742 Q743 A748 A749 A810 F811	P741-Q745 WeakPolarHBondContact O-CG 3.25Å; P741-Q745 PolarHBondContact O-N 3.25Å; E742-Q745 WeakPolarHBondContact O-CB 3.41Å; E742-Q745 PolarHBondContact O-N 3.29Å; Q743-Q745 VanDerWaalsContact C-N 3.32Å; Q743-Q745 PolarHBondContact O-N 3.22Å; Q745-A748 PolarHBondContact O-N 2.78Å; Q745-A749 WeakPolarHBondContact O-CB 3.47Å; Q745-A749 PolarHBondContact O-N 2.87Å; Q745-A810 HydrophobicContact CB-CB 4.16Å; Q745-F811 HydrophobicContact CB-CB 4.46Å; Q745-F811 HydrophobicContact CB-CD2 4.45Å; Q745-F811 VanDerWaalsContact O-CD2 3.31Å; Q745-F811 WeakPolarHBondContact O-CD2 3.32Å
746	A	81.5	Confident	78	Confident	36 Å²	36	58 Å²	58	30%	0.298	33%	0.327	S	S	.	.	H	α-helix	trans	-64.6	-41	177	0	0	0	0	0	112.4	E742 Q743 A749 A750 A814	E742-A746 PolarHBondContact O-N 2.98Å; Q743-A746 PolarHBondContact O-N 3.04Å; A746-A749 WeakPolarHBondContact O-CB 3.41Å; A746-A749 PolarHBondContact O-N 2.77Å; A746-A750 PolarHBondContact O-N 2.9Å; A746-A814 HydrophobicContact CB-CB 4.15Å
747	I	83.1	Confident	79.4	Confident	59 Å²	59	60.2 Å²	60.2	30%	0.303	31%	0.311	S	S	.	.	H	α-helix	trans	-65.1	-45	175.6	-65.7	164.1	0	0	0	110.8	Q743 R744 A749 A750 K751	Q743-I747 VanDerWaalsContact O-CG1 3.31Å; Q743-I747 WeakPolarHBondContact O-CG1 3.23Å; Q743-I747 PolarHBondContact O-N 3.41Å; R744-I747 PolarHBondContact O-N 3.08Å; I747-A749 VanDerWaalsContact C-N 3.29Å; I747-A749 PolarHBondContact O-N 3.48Å; I747-A750 PolarHBondContact O-N 2.82Å; I747-K751 HydrophobicContact CG2-CD 4.41Å; I747-K751 PolarHBondContact O-N 3.46Å
748	A	85.6	Confident	80.8	Confident	4 Å²	4	58.5 Å²	58.5	3%	0.033	30%	0.303	C	S	.	.	H	α-helix	trans	-61.4	-39.3	176.5	0	0	0	0	0	111.6	R744 Q745 S752 F811	R744-A748 WeakPolarHBondContact O-CB 3.34Å; R744-A748 PolarHBondContact O-N 3.34Å; Q745-A748 PolarHBondContact O-N 2.78Å; A748-S752 WeakPolarHBondContact O-CB 3.49Å; A748-S752 PolarHBondContact O-N 3.17Å; A748-S752 PolarHBondContact O-OG 3.12Å; A748-F811 HydrophobicContact CB-CE2 4.16Å
749	A	85.2	Confident	82	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.8	-49.5	173.9	0	0	0	0	0	111.5	Q745 A746 I747 K751 S752 I753 F811 A814	Q745-A749 WeakPolarHBondContact O-CB 3.47Å; Q745-A749 PolarHBondContact O-N 2.87Å; A746-A749 WeakPolarHBondContact O-CB 3.41Å; A746-A749 PolarHBondContact O-N 2.77Å; I747-A749 VanDerWaalsContact C-N 3.29Å; I747-A749 PolarHBondContact O-N 3.48Å; A749-K751 PolarHBondContact O-N 2.83Å; A749-S752 PolarHBondContact O-N 3.41Å; A749-S752 VanDerWaalsContact O-N 3.15Å; A749-I753 WeakPolarHBondContact O-CG1 3.18Å; A749-I753 PolarHBondContact O-N 2.83Å; A749-F811 VanDerWaalsContact CA-CZ 3.46Å; A749-F811 HydrophobicContact CB-CD1 3.71Å; A749-F811 HydrophobicContact CB-CD2 3.77Å; A749-F811 HydrophobicContact CB-CE1 3.7Å; A749-F811 HydrophobicContact CB-CE2 3.76Å; A749-F811 HydrophobicContact CB-CG 3.76Å; A749-F811 HydrophobicContact CB-CZ 3.74Å; A749-A814 HydrophobicContact CB-CB 3.62Å
750	A	84.1	Confident	82.6	Confident	45 Å²	45	54 Å²	54	37%	0.372	27%	0.268	S	S	.	.	H	α-helix	trans	-57.7	-47	178.5	0	0	0	0	0	112.4	A746 I747 S752 I753 E754	A746-A750 PolarHBondContact O-N 2.9Å; I747-A750 PolarHBondContact O-N 2.82Å; A750-S752 VanDerWaalsContact C-N 3.32Å; A750-S752 PolarHBondContact O-N 2.92Å; A750-I753 PolarHBondContact O-N 2.8Å; A750-E754 PolarHBondContact O-N 3.07Å
751	K	85.1	Confident	82.3	Confident	65 Å²	65	52.7 Å²	52.7	28%	0.283	27%	0.267	S	S	.	.	H	α-helix	trans	-64.1	-35.7	176.5	-72.3	-176.4	175.6	178	0	112.7	I725 G729 D732 I747 A749 E754 Y755	I725-K751 HydrophobicContact CG2-CB 3.57Å; G729-K751 WeakPolarHBondContact O-CD 3.45Å; G729-K751 WeakPolarHBondContact O-CE 3.3Å; G729-K751 PolarHBondContact O-NZ 2.85Å; D732-K751 IonicContact OD2-NZ 3.65Å; D732-K751 PolarHBondContact OD2-NZ 3.22Å; D732-K751 VanDerWaalsContact OD2-NZ 3.09Å; I747-K751 HydrophobicContact CG2-CD 4.41Å; I747-K751 PolarHBondContact O-N 3.46Å; A749-K751 PolarHBondContact O-N 2.83Å; K751-E754 PolarHBondContact O-N 3.41Å; K751-Y755 WeakPolarHBondContact O-CB 3.36Å; K751-Y755 PolarHBondContact O-N 3.4Å
752	S	86.9	Confident	82.1	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-67.4	-41.9	177.5	-56.5	0	0	0	0	111.5	M726 A748 A749 A750 E754 Y755 C756	M726-S752 VanDerWaalsContact CG-OG 3.29Å; M726-S752 WeakPolarHBondContact CG-OG 3.42Å; A748-S752 WeakPolarHBondContact O-CB 3.49Å; A748-S752 PolarHBondContact O-N 3.17Å; A748-S752 PolarHBondContact O-OG 3.12Å; A749-S752 PolarHBondContact O-N 3.41Å; A749-S752 VanDerWaalsContact O-N 3.15Å; A750-S752 VanDerWaalsContact C-N 3.32Å; A750-S752 PolarHBondContact O-N 2.92Å; S752-E754 VanDerWaalsContact C-N 3.33Å; S752-Y755 PolarHBondContact O-N 2.82Å; S752-C756 PolarHBondContact O-N 3.09Å; S752-C756 PolarHBondContact O-SG 3.46Å
753	I	84.2	Confident	81.7	Confident	6 Å²	6	51.2 Å²	51.2	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-60.1	-45.6	174.7	-65.8	164.9	0	0	0	110.2	A749 A750 C756 R757 W798 L815 N818	A749-I753 WeakPolarHBondContact O-CG1 3.18Å; A749-I753 PolarHBondContact O-N 2.83Å; A750-I753 PolarHBondContact O-N 2.8Å; I753-C756 PolarHBondContact O-N 3.27Å; I753-R757 WeakPolarHBondContact O-CB 3.39Å; I753-R757 WeakPolarHBondContact O-CG 3.24Å; I753-R757 PolarHBondContact O-N 3.25Å; I753-W798 HydrophobicContact CB-CH2 4.26Å; I753-W798 HydrophobicContact CB-CZ3 4.32Å; I753-W798 HydrophobicContact CG1-CZ3 4.16Å; I753-W798 HydrophobicContact CG2-CH2 3.79Å; I753-W798 HydrophobicContact CG2-CZ3 4.18Å; I753-L815 HydrophobicContact CD1-CD2 3.75Å; I753-L815 HydrophobicContact CG1-CD2 3.67Å; I753-N818 HydrophobicContact CD1-CB 3.8Å
754	E	83.9	Confident	81	Confident	131 Å²	131	49.2 Å²	49.2	61%	0.612	25%	0.253	S	S	*	.	H	α-helix	trans	-60.7	-47.4	177.8	-173.2	177.6	-167.1	0	0	111.6	A750 K751 S752 C756 R757 E758	A750-E754 PolarHBondContact O-N 3.07Å; K751-E754 PolarHBondContact O-N 3.41Å; S752-E754 VanDerWaalsContact C-N 3.33Å; E754-C756 PolarHBondContact O-N 3.26Å; E754-R757 PolarHBondContact O-N 3.01Å; E754-E758 PolarHBondContact O-N 3.16Å
755	Y	87	Confident	80	Confident	15 Å²	15	52.8 Å²	52.8	6%	0.059	27%	0.271	C	S	.	.	H	α-helix	trans	-60.2	-46.3	177.7	-177.9	-97.3	0	0	0	112.5	V709 T713 L722 I725 K751 S752 R757 E758 E759 L797	V709-Y755 HydrophobicContact CG1-CD2 4.44Å; V709-Y755 HydrophobicContact CG1-CE2 4.28Å; T713-Y755 HydrophobicContact CG2-CE2 4.26Å; T713-Y755 WeakPolarHBondContact CG2-OH 3.45Å; T713-Y755 WeakPolarHBondContact OG1-CE2 3.24Å; T713-Y755 PolarHBondContact OG1-OH 3.26Å; L722-Y755 HydrophobicContact CB-CD1 4.41Å; L722-Y755 HydrophobicContact CB-CE1 4.23Å; L722-Y755 HydrophobicContact CD1-CD1 3.99Å; I725-Y755 HydrophobicContact CD1-CD1 4.2Å; I725-Y755 HydrophobicContact CD1-CD2 3.7Å; I725-Y755 HydrophobicContact CD1-CE2 4.38Å; I725-Y755 HydrophobicContact CD1-CG 3.59Å; K751-Y755 WeakPolarHBondContact O-CB 3.36Å; K751-Y755 PolarHBondContact O-N 3.4Å; S752-Y755 PolarHBondContact O-N 2.82Å; Y755-R757 VanDerWaalsContact C-N 3.35Å; Y755-R757 PolarHBondContact O-N 2.77Å; Y755-E758 PolarHBondContact O-N 3.33Å; Y755-E759 HydrophobicContact CE1-CG 4.11Å; Y755-E759 PolarHBondContact O-N 3.2Å; Y755-L797 HydrophobicContact CE1-CD1 4.45Å
756	C	85.1	Confident	78.9	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.8	-42.4	177.1	-67.2	0	0	0	0	111.9	S752 I753 E754 E759 D760 W798	S752-C756 PolarHBondContact O-N 3.09Å; S752-C756 PolarHBondContact O-SG 3.46Å; I753-C756 PolarHBondContact O-N 3.27Å; E754-C756 PolarHBondContact O-N 3.26Å; C756-E759 PolarHBondContact O-N 2.9Å; C756-D760 WeakPolarHBondContact O-CB 3.36Å; C756-D760 PolarHBondContact O-N 3.03Å; C756-W798 HydrophobicContact CB-CD2 3.82Å; C756-W798 VanDerWaalsContact CB-CE2 3.44Å; C756-W798 HydrophobicContact CB-CE3 4.2Å; C756-W798 HydrophobicContact CB-CG 4.4Å; C756-W798 HydrophobicContact CB-CH2 3.94Å; C756-W798 HydrophobicContact CB-CZ2 3.53Å; C756-W798 HydrophobicContact CB-CZ3 4.26Å
757	R	82.2	Confident	77.5	Confident	126 Å²	126	61.7 Å²	61.7	48%	0.475	31%	0.305	S	S	.	.	H	α-helix	trans	-62.2	-41.5	175.9	-78.7	177.7	167.6	-166.6	-5.7	112.6	I753 E754 Y755 D760 G761 W798 C821	I753-R757 WeakPolarHBondContact O-CB 3.39Å; I753-R757 WeakPolarHBondContact O-CG 3.24Å; I753-R757 PolarHBondContact O-N 3.25Å; E754-R757 PolarHBondContact O-N 3.01Å; Y755-R757 VanDerWaalsContact C-N 3.35Å; Y755-R757 PolarHBondContact O-N 2.77Å; R757-D760 PolarHBondContact O-N 3.22Å; R757-G761 PolarHBondContact O-N 3.15Å; R757-W798 HydrophobicContact CG-CH2 4.08Å; R757-W798 HydrophobicContact CG-CZ2 3.84Å; R757-C821 PolarHBondContact NE-SG 2.91Å; R757-C821 PolarHBondContact NH2-SG 2.92Å
758	E	83	Confident	75.6	Confident	113 Å²	113	69.9 Å²	69.9	53%	0.528	33%	0.332	S	S	.	.	H	α-helix	trans	-63.8	-46.1	179.1	-171.5	175.4	-170.9	0	0	110.7	E754 Y755 G761 I762	E754-E758 PolarHBondContact O-N 3.16Å; Y755-E758 PolarHBondContact O-N 3.33Å; E758-G761 PolarHBondContact O-N 3.34Å; E758-I762 HydrophobicContact CG-CD1 4.1Å; E758-I762 VanDerWaalsContact O-CG1 3.31Å; E758-I762 WeakPolarHBondContact O-CG1 3.46Å; E758-I762 PolarHBondContact O-N 3.13Å
759	E	82.3	Confident	73.6	Confident	12 Å²	12	74.6 Å²	74.6	6%	0.056	36%	0.362	C	S	.	.	H	α-helix	trans	-64.2	-41.3	177.3	-74.2	-64.5	118.7	0	0	112.3	R718 Y755 C756 G761 I762 R763 L797	R718-E759 WeakPolarHBondContact CD-OE2 3.25Å; R718-E759 IonicContact CZ-OE2 3.67Å; R718-E759 IonicContact NE-OE2 3.78Å; R718-E759 PolarHBondContact NE-OE2 2.81Å; R718-E759 IonicContact NH2-OE2 3.43Å; Y755-E759 HydrophobicContact CE1-CG 4.11Å; Y755-E759 PolarHBondContact O-N 3.2Å; C756-E759 PolarHBondContact O-N 2.9Å; E759-G761 VanDerWaalsContact C-N 3.32Å; E759-G761 PolarHBondContact O-N 2.85Å; E759-I762 PolarHBondContact O-N 3.06Å; E759-R763 WeakPolarHBondContact O-CB 3.4Å; E759-R763 VanDerWaalsContact O-CG 3.3Å; E759-R763 WeakPolarHBondContact O-CG 3.35Å; E759-R763 PolarHBondContact O-N 3.24Å; E759-L797 HydrophobicContact CB-CD1 4Å; E759-L797 HydrophobicContact CG-CD1 4.21Å
760	D	76.9	Confident	71.3	Confident	41 Å²	41	84.8 Å²	84.8	22%	0.219	41%	0.407	C	S	.	.	H	α-helix	trans	-63.2	-39.5	173.3	-76.9	-15.7	0	0	0	111.6	C756 R757 R763 A764 W798	C756-D760 WeakPolarHBondContact O-CB 3.36Å; C756-D760 PolarHBondContact O-N 3.03Å; R757-D760 PolarHBondContact O-N 3.22Å; D760-R763 PolarHBondContact O-N 2.78Å; D760-A764 VanDerWaalsContact O-CB 3.25Å; D760-A764 WeakPolarHBondContact O-CB 3.48Å; D760-A764 PolarHBondContact O-N 3.48Å; D760-W798 PolarHBondContact OD2-NE1 3.01Å
761	G	73.8	Confident	69	Low	32 Å²	32	91 Å²	91	33%	0.33	43%	0.428	S	S	.	.	H	α-helix	trans	-64	-39.1	175	0	0	0	0	0	113.1	R757 E758 E759 A764 K765	R757-G761 PolarHBondContact O-N 3.15Å; E758-G761 PolarHBondContact O-N 3.34Å; E759-G761 VanDerWaalsContact C-N 3.32Å; E759-G761 PolarHBondContact O-N 2.85Å; G761-A764 PolarHBondContact O-N 3.24Å; G761-K765 WeakPolarHBondContact O-CB 3.21Å; G761-K765 WeakPolarHBondContact O-CG 3.31Å; G761-K765 PolarHBondContact O-N 2.94Å
762	I	73.5	Confident	66.4	Low	71 Å²	71	99 Å²	99	36%	0.364	46%	0.456	S	S	.	.	H	α-helix	trans	-68.1	-43.9	174.9	-67.1	164.5	0	0	0	110.1	E758 E759 A764 K765 N766	E758-I762 HydrophobicContact CG-CD1 4.1Å; E758-I762 VanDerWaalsContact O-CG1 3.31Å; E758-I762 WeakPolarHBondContact O-CG1 3.46Å; E758-I762 PolarHBondContact O-N 3.13Å; E759-I762 PolarHBondContact O-N 3.06Å; I762-A764 VanDerWaalsContact C-N 3.35Å; I762-A764 PolarHBondContact O-N 2.72Å; I762-K765 PolarHBondContact O-N 3.06Å; I762-N766 PolarHBondContact O-N 3.32Å; I762-N766 PolarHBondContact O-ND2 2.92Å
763	R	70.2	Confident	63.8	Low	63 Å²	63	108.2 Å²	108.2	24%	0.238	50%	0.499	C	S	.	.	H	α-helix	trans	-59.7	-43.5	173.7	-73	174.8	179	-162.4	-1.7	111.6	E759 D760 N766 R767 N793	E759-R763 WeakPolarHBondContact O-CB 3.4Å; E759-R763 VanDerWaalsContact O-CG 3.3Å; E759-R763 WeakPolarHBondContact O-CG 3.35Å; E759-R763 PolarHBondContact O-N 3.24Å; D760-R763 PolarHBondContact O-N 2.78Å; R763-N766 PolarHBondContact O-N 3.12Å; R763-R767 PolarHBondContact O-N 3.11Å; R763-R767 VanDerWaalsContact O-N 3.14Å; R763-N793 PolarHBondContact NH1-O 2.93Å
764	A	63.3	Low	61.3	Low	56 Å²	56	120 Å²	120	46%	0.463	54%	0.543	S	S	.	.	H	α-helix	trans	-68.2	-35.1	178.2	0	0	0	0	0	113.1	D760 G761 I762 N766 R767	D760-A764 VanDerWaalsContact O-CB 3.25Å; D760-A764 WeakPolarHBondContact O-CB 3.48Å; D760-A764 PolarHBondContact O-N 3.48Å; G761-A764 PolarHBondContact O-N 3.24Å; I762-A764 VanDerWaalsContact C-N 3.35Å; I762-A764 PolarHBondContact O-N 2.72Å; A764-N766 VanDerWaalsContact C-N 3.31Å; A764-R767 CarbonylContact O-C 3.57Å; A764-R767 WeakPolarHBondContact O-CA 3.34Å; A764-R767 PolarHBondContact O-N 2.75Å; A764-R767 VanDerWaalsContact O-O 3.08Å
765	K	60.7	Low	58.9	Low	176 Å²	176	118.7 Å²	118.7	77%	0.765	55%	0.548	S	S	*	.	H	α-helix	trans	-66.4	-34.1	172.2	-79	176	-177.5	174.5	0	112.4	G761 I762 R767	G761-K765 WeakPolarHBondContact O-CB 3.21Å; G761-K765 WeakPolarHBondContact O-CG 3.31Å; G761-K765 PolarHBondContact O-N 2.94Å; I762-K765 PolarHBondContact O-N 3.06Å; K765-R767 PolarHBondContact O-N 3.5Å
766	N	59.4	Low	56.3	Low	134 Å²	134	126.6 Å²	126.6	72%	0.717	59%	0.588	S	S	*	*	H	α-helix	trans	-71.4	-16.2	171.2	-65.5	-19.1	0	0	0	112.1	I762 R763 A764	I762-N766 PolarHBondContact O-N 3.32Å; I762-N766 PolarHBondContact O-ND2 2.92Å; R763-N766 PolarHBondContact O-N 3.12Å; A764-N766 VanDerWaalsContact C-N 3.31Å
767	R	52	Low	53.7	Low	146 Å²	146	133.4 Å²	133.4	55%	0.551	62%	0.624	S	S	*	*			trans	-107.6	68.6	175.8	-69.1	179.8	175	-121.9	-13.1	112.7	R763 A764 K765 D791	R763-R767 PolarHBondContact O-N 3.11Å; R763-R767 VanDerWaalsContact O-N 3.14Å; A764-R767 CarbonylContact O-C 3.57Å; A764-R767 WeakPolarHBondContact O-CA 3.34Å; A764-R767 PolarHBondContact O-N 2.75Å; A764-R767 VanDerWaalsContact O-O 3.08Å; K765-R767 PolarHBondContact O-N 3.5Å; R767-D791 VanDerWaalsContact CZ-CG 3.47Å; R767-D791 IonicContact CZ-OD2 3.76Å; R767-D791 IonicContact NE-OD2 3.14Å; R767-D791 PolarHBondContact NE-OD2 2.69Å; R767-D791 IonicContact NH1-OD2 3.94Å; R767-D791 IonicContact NH2-OD1 3.08Å; R767-D791 PolarHBondContact NH2-OD1 3.23Å; R767-D791 VanDerWaalsContact NH2-OD1 3.08Å; R767-D791 IonicContact NH2-OD2 2.81Å; R767-D791 PolarHBondContact NH2-OD2 2.73Å
768	R	44.2	Very low	51.3	Low	231 Å²	231	135 Å²	135	87%	0.872	64%	0.642	S	S	*	*			trans	-150.4	148.4	162.3	-95.1	-161.4	-171.8	-173.4	3.2	110.6
769	P	41.9	Very low	49	Very low	103 Å²	103	137.3 Å²	137.3	67%	0.669	66%	0.658	S	S	*	*				-115.5	146.3	-96	36	-28	0	0	0	113.3	H771	P769-H771 PolarHBondContact O-N 2.66Å
770	F	37.9	Very low	46.6	Very low	215 Å²	215	144.4 Å²	144.4	94%	0.943	70%	0.696	S	S	*	*	S	Bend	trans	-70.3	49.5	168.2	-97.4	-82.5	0	0	0	112.6
771	H	35.8	Very low	44.5	Very low	175 Å²	175	148.7 Å²	148.7	81%	0.81	73%	0.728	S	S	*	*			trans	-143.1	71.8	167.3	-78.5	-48.1	0	0	0	111.4	P769	P769-H771 PolarHBondContact O-N 2.66Å
772	R	30.6	Very low	42.5	Very low	232 Å²	232	152.1 Å²	152.1	88%	0.875	75%	0.746	S	S	*	*			trans	-134.7	83.5	154.5	-85.2	-171.9	175.9	177.7	-0.6	108.4
773	H	31.6	Very low	40.7	Very low	195 Å²	195	157.8 Å²	157.8	90%	0.903	77%	0.768	S	S	*	*			trans	176.1	88.9	146.4	-89.9	-55	0	0	0	108.5
774	R	33.1	Very low	38.8	Very low	252 Å²	252	161.6 Å²	161.6	95%	0.951	79%	0.794	S	S	*	*			trans	-135	107.7	149.5	-138.2	175.1	-172.4	176.4	2.2	109.1
775	S	33.1	Very low	37.6	Very low	104 Å²	104	165.5 Å²	165.5	73%	0.727	82%	0.816	S	S	*	*			trans	-48.6	139.4	172.4	-170.4	0	0	0	0	110.8	N777	S775-N777 VanDerWaalsContact C-N 3.31Å; S775-N777 PolarHBondContact O-N 3.17Å
776	M	31.2	Very low	36.6	Very low	182 Å²	182	164.3 Å²	164.3	90%	0.897	82%	0.818	S	S	*	*	S	Bend	trans	-59.9	97	161.4	-81.1	-159.9	171.6	0	0	108.4
777	N	31.3	Very low	35.5	Very low	142 Å²	142	167 Å²	167	76%	0.759	83%	0.826	S	S	*	*			trans	-175.2	90.9	151.3	-94.9	-11	0	0	0	108.2	S775	S775-N777 VanDerWaalsContact C-N 3.31Å; S775-N777 PolarHBondContact O-N 3.17Å
778	N	32	Very low	35.1	Very low	159 Å²	159	168 Å²	168	85%	0.85	84%	0.843	S	S	*	*			trans	166.4	115.2	135.2	-89.3	-15.5	0	0	0	108.9
779	L	33.9	Very low	35	Very low	163 Å²	163	166 Å²	166	85%	0.853	84%	0.843	S	S	*	*			trans	-68.8	138	156.3	-81.8	90.5	0	0	0	108.2
780	N	31.5	Very low	35.1	Very low	160 Å²	160	164.2 Å²	164.2	86%	0.856	84%	0.844	S	S	*	*			trans	104.8	96.3	174.9	-60.1	-16.8	0	0	0	115
781	C	33.4	Very low	35.9	Very low	132 Å²	132	156.8 Å²	156.8	89%	0.892	81%	0.814	S	S	*	*				-174.3	133.9	119.8	-163.3	0	0	0	0	110.1
782	S	31.8	Very low	36.8	Very low	103 Å²	103	157.4 Å²	157.4	72%	0.72	82%	0.817	S	S	*	*			trans	-82.2	161.4	175.8	-50.4	0	0	0	0	112.2
783	K	35.2	Very low	38.1	Very low	190 Å²	190	149.7 Å²	149.7	83%	0.826	79%	0.793	S	S	*	*			trans	66.8	107	162.2	-68.8	179.3	175.6	177.8	0	116.5
784	D	31	Very low	39.4	Very low	144 Å²	144	143.7 Å²	143.7	77%	0.77	78%	0.777	S	S	*	*				169.2	111.3	121.6	-76.5	-21	0	0	0	107.2
785	C	38.4	Very low	41.1	Very low	137 Å²	137	132.8 Å²	132.8	93%	0.926	74%	0.743	S	S	*	*			trans	-110.6	104.2	169.1	-72	0	0	0	0	106.4
786	D	39.5	Very low	43.3	Very low	151 Å²	151	130.9 Å²	130.9	81%	0.807	72%	0.723	S	S	*	*			trans	-59.4	139.3	176.1	-60.9	-56.6	0	0	0	111.6	D788	D786-D788 PolarHBondContact O-N 2.83Å
787	E	36.5	Very low	45.7	Very low	192 Å²	192	122.5 Å²	122.5	90%	0.897	68%	0.682	S	S	*	*			trans	-72.1	112	166.5	-65.5	177.3	161.3	0	0	108.2	E789	E787-E789 PolarHBondContact O-N 2.82Å
788	D	43.6	Very low	48.2	Very low	167 Å²	167	116 Å²	116	89%	0.893	65%	0.646	S	S	*	*			trans	-64.2	116	174.1	-115.7	-24.1	0	0	0	109.8	D786 G790	D786-D788 PolarHBondContact O-N 2.83Å; D788-G790 PolarHBondContact O-N 2.85Å
789	E	41.3	Very low	50.6	Low	188 Å²	188	114.2 Å²	114.2	88%	0.879	63%	0.633	S	S	*	*			trans	-61.5	117.4	170.6	-76.6	-173.8	159.5	0	0	110.4	E787	E787-E789 PolarHBondContact O-N 2.82Å
790	G	45.2	Very low	52.9	Low	66 Å²	66	109.7 Å²	109.7	68%	0.68	61%	0.607	S	S	*	*			trans	-66.8	136.8	175.6	0	0	0	0	0	112.4	D788 E792	D788-G790 PolarHBondContact O-N 2.85Å; G790-E792 PolarHBondContact O-N 2.68Å
791	D	54.5	Low	55.5	Low	59 Å²	59	102 Å²	102	32%	0.316	57%	0.567	S	S	.	*			trans	-57.3	112	177.3	-160	7.1	0	0	0	111.8	R767 N793 A794	R767-D791 VanDerWaalsContact CZ-CG 3.47Å; R767-D791 IonicContact CZ-OD2 3.76Å; R767-D791 IonicContact NE-OD2 3.14Å; R767-D791 PolarHBondContact NE-OD2 2.69Å; R767-D791 IonicContact NH1-OD2 3.94Å; R767-D791 IonicContact NH2-OD1 3.08Å; R767-D791 PolarHBondContact NH2-OD1 3.23Å; R767-D791 VanDerWaalsContact NH2-OD1 3.08Å; R767-D791 IonicContact NH2-OD2 2.81Å; R767-D791 PolarHBondContact NH2-OD2 2.73Å; D791-N793 PolarHBondContact O-N 2.8Å; D791-A794 HydrophobicContact CB-CB 3.79Å; D791-A794 PolarHBondContact O-N 2.82Å
792	E	54.3	Low	57.9	Low	187 Å²	187	96.2 Å²	96.2	87%	0.874	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.4	-178.5	-67.7	-172.3	154.5	0	0	113.4	G790	G790-E792 PolarHBondContact O-N 2.68Å
793	N	57.6	Low	60.3	Low	70 Å²	70	96 Å²	96	37%	0.374	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	4.7	179.7	-72	43.1	0	0	0	114.2	R763 D791 G795 E796	R763-N793 PolarHBondContact NH1-O 2.93Å; D791-N793 PolarHBondContact O-N 2.8Å; N793-G795 PolarHBondContact O-N 3.27Å; N793-G795 VanDerWaalsContact O-N 3.16Å; N793-E796 HydrophobicContact CB-CG 4.27Å; N793-E796 WeakPolarHBondContact CB-OE2 3.45Å; N793-E796 VanDerWaalsContact CG-OE1 3.31Å; N793-E796 VanDerWaalsContact CG-OE2 3.26Å; N793-E796 PolarHBondContact ND2-OE1 3.05Å; N793-E796 PolarHBondContact ND2-OE2 3.47Å; N793-E796 PolarHBondContact O-N 2.9Å
794	A	58	Low	62.7	Low	69 Å²	69	89.3 Å²	89.3	57%	0.57	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	111.2	175.7	0	0	0	0	0	109.9	D791	D791-A794 HydrophobicContact CB-CB 3.79Å; D791-A794 PolarHBondContact O-N 2.82Å
795	G	69	Low	65.2	Low	23 Å²	23	82.5 Å²	82.5	24%	0.237	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.4	-1.1	178.4	0	0	0	0	0	116.2	N793 L797 W798 Q799	N793-G795 PolarHBondContact O-N 3.27Å; N793-G795 VanDerWaalsContact O-N 3.16Å; G795-L797 VanDerWaalsContact C-N 3.35Å; G795-L797 PolarHBondContact O-N 3.29Å; G795-W798 WeakPolarHBondContact O-CB 3.5Å; G795-W798 PolarHBondContact O-N 2.97Å; G795-W798 VanDerWaalsContact O-N 3.17Å; G795-Q799 PolarHBondContact O-N 2.9Å
796	E	79.4	Confident	67.2	Low	65 Å²	65	77.9 Å²	77.9	30%	0.304	42%	0.423	S	S	.	.	H	α-helix	trans	-57.6	-44.1	179.2	-71.1	-179.5	145.2	0	0	113.1	N793 Q799 Q800	N793-E796 HydrophobicContact CB-CG 4.27Å; N793-E796 WeakPolarHBondContact CB-OE2 3.45Å; N793-E796 VanDerWaalsContact CG-OE1 3.31Å; N793-E796 VanDerWaalsContact CG-OE2 3.26Å; N793-E796 PolarHBondContact ND2-OE1 3.05Å; N793-E796 PolarHBondContact ND2-OE2 3.47Å; N793-E796 PolarHBondContact O-N 2.9Å; E796-Q799 WeakPolarHBondContact O-CB 3.23Å; E796-Q799 PolarHBondContact O-N 3.25Å; E796-Q800 PolarHBondContact O-N 3.42Å
797	L	82.9	Confident	69.1	Low	6 Å²	6	76.2 Å²	76.2	3%	0.031	41%	0.414	C	S	.	.	H	α-helix	trans	-63.7	-43.4	177.8	-64	175.7	0	0	0	110.7	L722 Y755 E759 G795 Q799 Q800 V801	L722-L797 HydrophobicContact CD2-CB 4.12Å; L722-L797 HydrophobicContact CD2-CD2 3.89Å; Y755-L797 HydrophobicContact CE1-CD1 4.45Å; E759-L797 HydrophobicContact CB-CD1 4Å; E759-L797 HydrophobicContact CG-CD1 4.21Å; G795-L797 VanDerWaalsContact C-N 3.35Å; G795-L797 PolarHBondContact O-N 3.29Å; L797-Q799 VanDerWaalsContact C-N 3.32Å; L797-Q799 PolarHBondContact O-N 3.07Å; L797-Q800 WeakPolarHBondContact O-CB 3.45Å; L797-Q800 PolarHBondContact O-N 2.81Å; L797-V801 WeakPolarHBondContact O-CG2 3.46Å; L797-V801 PolarHBondContact O-N 3.18Å
798	W	84.2	Confident	71.4	Confident	4 Å²	4	68.9 Å²	68.9	2%	0.015	38%	0.379	C	S	.	.	H	α-helix	trans	-61.6	-40	175.2	-70.8	107.4	0	0	0	112.2	I753 C756 R757 D760 G795 Q800 V801 I802 C821 L824	I753-W798 HydrophobicContact CB-CH2 4.26Å; I753-W798 HydrophobicContact CB-CZ3 4.32Å; I753-W798 HydrophobicContact CG1-CZ3 4.16Å; I753-W798 HydrophobicContact CG2-CH2 3.79Å; I753-W798 HydrophobicContact CG2-CZ3 4.18Å; C756-W798 HydrophobicContact CB-CD2 3.82Å; C756-W798 VanDerWaalsContact CB-CE2 3.44Å; C756-W798 HydrophobicContact CB-CE3 4.2Å; C756-W798 HydrophobicContact CB-CG 4.4Å; C756-W798 HydrophobicContact CB-CH2 3.94Å; C756-W798 HydrophobicContact CB-CZ2 3.53Å; C756-W798 HydrophobicContact CB-CZ3 4.26Å; R757-W798 HydrophobicContact CG-CH2 4.08Å; R757-W798 HydrophobicContact CG-CZ2 3.84Å; D760-W798 PolarHBondContact OD2-NE1 3.01Å; G795-W798 WeakPolarHBondContact O-CB 3.5Å; G795-W798 PolarHBondContact O-N 2.97Å; G795-W798 VanDerWaalsContact O-N 3.17Å; W798-Q800 VanDerWaalsContact C-N 3.29Å; W798-Q800 PolarHBondContact O-N 3.37Å; W798-V801 PolarHBondContact O-N 2.93Å; W798-I802 VanDerWaalsContact O-CG1 3.28Å; W798-I802 WeakPolarHBondContact O-CG1 3.32Å; W798-I802 PolarHBondContact O-N 2.81Å; W798-C821 HydrophobicContact CH2-CB 4.38Å; W798-L824 HydrophobicContact CE3-CB 4.15Å; W798-L824 HydrophobicContact CE3-CD1 3.69Å; W798-L824 HydrophobicContact CZ3-CB 4.17Å; W798-L824 HydrophobicContact CZ3-CD1 4.08Å
799	Q	81.8	Confident	73.2	Confident	122 Å²	122	62.8 Å²	62.8	57%	0.57	35%	0.349	S	S	*	.	H	α-helix	trans	-62.6	-38.4	176.5	-168.3	176.4	7.3	0	0	111.5	G795 E796 L797 I802 L803	G795-Q799 PolarHBondContact O-N 2.9Å; E796-Q799 WeakPolarHBondContact O-CB 3.23Å; E796-Q799 PolarHBondContact O-N 3.25Å; L797-Q799 VanDerWaalsContact C-N 3.32Å; L797-Q799 PolarHBondContact O-N 3.07Å; Q799-I802 PolarHBondContact O-N 2.82Å; Q799-L803 HydrophobicContact CG-CD1 4.21Å; Q799-L803 WeakPolarHBondContact O-CB 3.27Å; Q799-L803 WeakPolarHBondContact O-CD1 3.37Å; Q799-L803 VanDerWaalsContact O-CG 3.26Å; Q799-L803 WeakPolarHBondContact O-CG 3.47Å; Q799-L803 PolarHBondContact O-N 3.15Å
800	Q	82.9	Confident	75	Confident	68 Å²	68	54.5 Å²	54.5	32%	0.318	31%	0.313	S	S	.	.	H	α-helix	trans	-66	-41.8	173.9	-71.9	-166.3	-13.5	0	0	112.7	H719 L722 E796 L797 W798 I802 L803 F804	H719-Q800 PolarHBondContact CE1-NE2 3Å; H719-Q800 PolarHBondContact ND1-NE2 2.99Å; H719-Q800 PolarHBondContact ND1-OE1 3.37Å; L722-Q800 HydrophobicContact CD2-CB 4.21Å; E796-Q800 PolarHBondContact O-N 3.42Å; L797-Q800 WeakPolarHBondContact O-CB 3.45Å; L797-Q800 PolarHBondContact O-N 2.81Å; W798-Q800 VanDerWaalsContact C-N 3.29Å; W798-Q800 PolarHBondContact O-N 3.37Å; Q800-I802 VanDerWaalsContact C-N 3.32Å; Q800-I802 PolarHBondContact O-N 2.83Å; Q800-L803 PolarHBondContact O-N 3.32Å; Q800-F804 WeakPolarHBondContact O-CB 3.03Å; Q800-F804 PolarHBondContact O-N 3.3Å
801	V	85.2	Confident	76.8	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.6	-44.1	174.2	177.5	0	0	0	0	110.7	L722 M726 L797 W798 L803 F804 A805 F811 L815	L722-V801 HydrophobicContact CD1-CG2 3.97Å; L722-V801 HydrophobicContact CD2-CG2 4.02Å; L722-V801 HydrophobicContact CG-CG2 4.43Å; M726-V801 HydrophobicContact SD-CG2 4.18Å; L797-V801 WeakPolarHBondContact O-CG2 3.46Å; L797-V801 PolarHBondContact O-N 3.18Å; W798-V801 PolarHBondContact O-N 2.93Å; V801-L803 PolarHBondContact O-N 2.89Å; V801-F804 PolarHBondContact O-N 3.5Å; V801-A805 WeakPolarHBondContact O-CB 3.29Å; V801-A805 PolarHBondContact O-N 2.85Å; V801-F811 HydrophobicContact CG1-CE1 3.82Å; V801-F811 HydrophobicContact CG1-CZ 4.32Å; V801-L815 HydrophobicContact CG1-CD1 4.21Å; V801-L815 HydrophobicContact CG1-CD2 3.7Å
802	I	83	Confident	78.2	Confident	9 Å²	9	48.8 Å²	48.8	5%	0.046	27%	0.267	C	S	.	.	H	α-helix	trans	-64.5	-39.8	177	-68.6	167.3	0	0	0	111.4	W798 Q799 Q800 A805 A806 L824 L828 K832	W798-I802 VanDerWaalsContact O-CG1 3.28Å; W798-I802 WeakPolarHBondContact O-CG1 3.32Å; W798-I802 PolarHBondContact O-N 2.81Å; Q799-I802 PolarHBondContact O-N 2.82Å; Q800-I802 VanDerWaalsContact C-N 3.32Å; Q800-I802 PolarHBondContact O-N 2.83Å; I802-A805 PolarHBondContact O-N 2.9Å; I802-A806 PolarHBondContact O-N 2.53Å; I802-L824 HydrophobicContact CD1-CD1 3.93Å; I802-L824 HydrophobicContact CG1-CD1 3.96Å; I802-L828 HydrophobicContact CD1-CB 4.49Å; I802-K832 HydrophobicContact CG2-CD 3.75Å
803	L	83.6	Confident	79.6	Confident	98 Å²	98	40.4 Å²	40.4	51%	0.513	23%	0.228	S	C	.	.	H	α-helix	trans	-65.5	-42.8	175.9	-78.4	163	0	0	0	111.6	Q799 Q800 V801 A805 A806	Q799-L803 HydrophobicContact CG-CD1 4.21Å; Q799-L803 WeakPolarHBondContact O-CB 3.27Å; Q799-L803 WeakPolarHBondContact O-CD1 3.37Å; Q799-L803 VanDerWaalsContact O-CG 3.26Å; Q799-L803 WeakPolarHBondContact O-CG 3.47Å; Q799-L803 PolarHBondContact O-N 3.15Å; Q800-L803 PolarHBondContact O-N 3.32Å; V801-L803 PolarHBondContact O-N 2.89Å; L803-A805 VanDerWaalsContact C-N 3.29Å; L803-A805 PolarHBondContact O-N 2.85Å; L803-A806 PolarHBondContact O-N 3.14Å
804	F	84.6	Confident	80.7	Confident	51 Å²	51	37.3 Å²	37.3	22%	0.224	21%	0.213	C	C	.	.	H	α-helix	trans	-67.2	-30.3	178.1	-176	-94.4	0	0	0	112.8	M726 T727 Q800 V801 K808 F811	M726-F804 HydrophobicContact CB-CD1 3.94Å; M726-F804 HydrophobicContact CB-CD2 4.36Å; M726-F804 HydrophobicContact CB-CE1 3.8Å; M726-F804 HydrophobicContact CB-CE2 4.22Å; M726-F804 HydrophobicContact CB-CG 4.21Å; M726-F804 HydrophobicContact CB-CZ 3.94Å; M726-F804 HydrophobicContact CE-CB 4.2Å; M726-F804 HydrophobicContact CE-CD2 4.28Å; M726-F804 HydrophobicContact CE-CG 4.23Å; M726-F804 HydrophobicContact CG-CD1 4.2Å; M726-F804 HydrophobicContact CG-CG 4.42Å; M726-F804 WeakPolarHBondContact O-CE1 3.33Å; M726-F804 WeakPolarHBondContact O-CZ 2.79Å; M726-F804 HydrophobicContact SD-CB 3.56Å; M726-F804 VanDerWaalsContact SD-CB 3.56Å; M726-F804 HydrophobicContact SD-CD1 3.94Å; M726-F804 HydrophobicContact SD-CD2 4.28Å; M726-F804 HydrophobicContact SD-CG 3.66Å; T727-F804 HydrophobicContact CG2-CE2 4.32Å; T727-F804 HydrophobicContact CG2-CZ 4.45Å; Q800-F804 WeakPolarHBondContact O-CB 3.03Å; Q800-F804 PolarHBondContact O-N 3.3Å; V801-F804 PolarHBondContact O-N 3.5Å; F804-K808 HydrophobicContact CD1-CD 4.27Å; F804-K808 HydrophobicContact CE1-CD 3.74Å; F804-K808 HydrophobicContact CZ-CD 4.2Å; F804-K808 VanDerWaalsContact CZ-CE 3.49Å; F804-K808 PolarHBondContact O-NZ 3.4Å; F804-F811 HydrophobicContact CD1-CD2 4.25Å; F804-F811 HydrophobicContact CD1-CE1 4.36Å; F804-F811 AromaticContact CD1-CE2 3.83Å; F804-F811 HydrophobicContact CD1-CE2 3.83Å; F804-F811 AromaticContact CD1-CZ 3.88Å; F804-F811 HydrophobicContact CD1-CZ 3.88Å; F804-F811 HydrophobicContact CE1-CD2 4.07Å; F804-F811 AromaticContact CE1-CE2 3.75Å; F804-F811 HydrophobicContact CE1-CE2 3.75Å; F804-F811 HydrophobicContact CE1-CZ 4.26Å
805	A	84.3	Confident	81.9	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-76.4	-19.7	-178.8	0	0	0	0	0	114	V801 I802 L803 D807 K808 F811 I812 L815	V801-A805 WeakPolarHBondContact O-CB 3.29Å; V801-A805 PolarHBondContact O-N 2.85Å; I802-A805 PolarHBondContact O-N 2.9Å; L803-A805 VanDerWaalsContact C-N 3.29Å; L803-A805 PolarHBondContact O-N 2.85Å; A805-D807 PolarHBondContact O-N 3.21Å; A805-K808 PolarHBondContact O-N 3.01Å; A805-F811 HydrophobicContact CB-CD1 3.49Å; A805-F811 VanDerWaalsContact CB-CD1 3.49Å; A805-F811 HydrophobicContact CB-CE1 4.03Å; A805-F811 HydrophobicContact CB-CG 4.36Å; A805-I812 HydrophobicContact CB-CG1 4.1Å; A805-I812 WeakPolarHBondContact O-CD1 3.42Å; A805-I812 WeakPolarHBondContact O-CG1 3.4Å; A805-L815 HydrophobicContact CB-CD1 3.43Å; A805-L815 VanDerWaalsContact CB-CD1 3.43Å
806	A	79	Confident	82.4	Confident	41 Å²	41	33 Å²	33	34%	0.339	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-28.2	-164.7	0	0	0	0	0	115.1	I802 L803	I802-A806 PolarHBondContact O-N 2.53Å; L803-A806 PolarHBondContact O-N 3.14Å
807	D	80.1	Confident	82.4	Confident	116 Å²	116	33.7 Å²	33.7	62%	0.62	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.8	5.2	-178.3	64.1	-23.1	0	0	0	114	A805	A805-D807 PolarHBondContact O-N 3.21Å
808	K	85.1	Confident	82	Confident	37 Å²	37	36.2 Å²	36.2	16%	0.161	19%	0.191	C	C	.	.			trans	-120.7	98.6	-171.3	-68	174.7	-162.9	72.4	0	112.1	F804 A805 A810 F811 I812	F804-K808 HydrophobicContact CD1-CD 4.27Å; F804-K808 HydrophobicContact CE1-CD 3.74Å; F804-K808 HydrophobicContact CZ-CD 4.2Å; F804-K808 VanDerWaalsContact CZ-CE 3.49Å; F804-K808 PolarHBondContact O-NZ 3.4Å; A805-K808 PolarHBondContact O-N 3.01Å; K808-A810 PolarHBondContact O-N 2.66Å; K808-F811 HydrophobicContact CB-CB 3.6Å; K808-F811 HydrophobicContact CD-CB 4.5Å; K808-F811 WeakPolarHBondContact O-CB 3.45Å; K808-F811 PolarHBondContact O-N 3.44Å; K808-F811 VanDerWaalsContact O-N 3.1Å; K808-I812 WeakPolarHBondContact O-CG1 3.45Å; K808-I812 PolarHBondContact O-N 3.07Å
809	P	80.9	Confident	81.1	Confident	39 Å²	39	36 Å²	36	25%	0.253	19%	0.191	S	C	.	.	H	α-helix	trans	-58.9	-42.3	-172.9	-18.8	25.6	0	0	0	114.2	F811 I812 C813 M837 T838 I839	P809-F811 VanDerWaalsContact C-N 3.35Å; P809-I812 PolarHBondContact O-N 3.02Å; P809-C813 WeakPolarHBondContact O-CB 3.09Å; P809-C813 PolarHBondContact O-N 2.85Å; P809-M837 HydrophobicContact CB-CE 4.02Å; P809-M837 HydrophobicContact CG-CE 3.58Å; P809-T838 WeakPolarHBondContact CB-O 3.16Å; P809-I839 HydrophobicContact CB-CG1 4.2Å
810	A	79.5	Confident	80.2	Confident	15 Å²	15	31.6 Å²	31.6	12%	0.124	18%	0.178	C	C	.	.	H	α-helix	trans	-68.7	-35	179.1	0	0	0	0	0	112.3	E742 Q745 K808 C813 A814	E742-A810 HydrophobicContact CB-CB 3.73Å; E742-A810 HydrophobicContact CG-CB 4.29Å; E742-A810 WeakPolarHBondContact O-CB 3.5Å; Q745-A810 HydrophobicContact CB-CB 4.16Å; K808-A810 PolarHBondContact O-N 2.66Å; A810-C813 PolarHBondContact O-N 3Å; A810-A814 WeakPolarHBondContact O-CB 3.46Å; A810-A814 PolarHBondContact O-N 3.21Å
811	F	84.1	Confident	79.2	Confident	1 Å²	1	28.8 Å²	28.8	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-68.3	-42.4	176	-156.2	-72.9	0	0	0	111.2	M726 Q745 A748 A749 V801 F804 A805 K808 P809 A814 L815	M726-F811 HydrophobicContact CG-CZ 4.31Å; Q745-F811 HydrophobicContact CB-CB 4.46Å; Q745-F811 HydrophobicContact CB-CD2 4.45Å; Q745-F811 VanDerWaalsContact O-CD2 3.31Å; Q745-F811 WeakPolarHBondContact O-CD2 3.32Å; A748-F811 HydrophobicContact CB-CE2 4.16Å; A749-F811 VanDerWaalsContact CA-CZ 3.46Å; A749-F811 HydrophobicContact CB-CD1 3.71Å; A749-F811 HydrophobicContact CB-CD2 3.77Å; A749-F811 HydrophobicContact CB-CE1 3.7Å; A749-F811 HydrophobicContact CB-CE2 3.76Å; A749-F811 HydrophobicContact CB-CG 3.76Å; A749-F811 HydrophobicContact CB-CZ 3.74Å; V801-F811 HydrophobicContact CG1-CE1 3.82Å; V801-F811 HydrophobicContact CG1-CZ 4.32Å; F804-F811 HydrophobicContact CD1-CD2 4.25Å; F804-F811 HydrophobicContact CD1-CE1 4.36Å; F804-F811 AromaticContact CD1-CE2 3.83Å; F804-F811 HydrophobicContact CD1-CE2 3.83Å; F804-F811 AromaticContact CD1-CZ 3.88Å; F804-F811 HydrophobicContact CD1-CZ 3.88Å; F804-F811 HydrophobicContact CE1-CD2 4.07Å; F804-F811 AromaticContact CE1-CE2 3.75Å; F804-F811 HydrophobicContact CE1-CE2 3.75Å; F804-F811 HydrophobicContact CE1-CZ 4.26Å; A805-F811 HydrophobicContact CB-CD1 3.49Å; A805-F811 VanDerWaalsContact CB-CD1 3.49Å; A805-F811 HydrophobicContact CB-CE1 4.03Å; A805-F811 HydrophobicContact CB-CG 4.36Å; K808-F811 HydrophobicContact CB-CB 3.6Å; K808-F811 HydrophobicContact CD-CB 4.5Å; K808-F811 WeakPolarHBondContact O-CB 3.45Å; K808-F811 PolarHBondContact O-N 3.44Å; K808-F811 VanDerWaalsContact O-N 3.1Å; P809-F811 VanDerWaalsContact C-N 3.35Å; F811-A814 PolarHBondContact O-N 2.95Å; F811-L815 HydrophobicContact CD1-CD1 3.79Å; F811-L815 HydrophobicContact CD1-CG 4.11Å; F811-L815 HydrophobicContact CE1-CD1 3.94Å; F811-L815 HydrophobicContact CE1-CG 4.2Å; F811-L815 WeakPolarHBondContact O-CG 3.43Å; F811-L815 PolarHBondContact O-N 3.15Å
812	I	83.7	Confident	78.1	Confident	4 Å²	4	37.7 Å²	37.7	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-62	-45.1	173.9	-64.9	174.3	0	0	0	110.8	A805 K808 P809 A814 L815 L816 I833 M837 I839	A805-I812 HydrophobicContact CB-CG1 4.1Å; A805-I812 WeakPolarHBondContact O-CD1 3.42Å; A805-I812 WeakPolarHBondContact O-CG1 3.4Å; K808-I812 WeakPolarHBondContact O-CG1 3.45Å; K808-I812 PolarHBondContact O-N 3.07Å; P809-I812 PolarHBondContact O-N 3.02Å; I812-A814 VanDerWaalsContact C-N 3.32Å; I812-A814 PolarHBondContact O-N 2.81Å; I812-L815 PolarHBondContact O-N 2.96Å; I812-L816 HydrophobicContact CG2-CD1 3.93Å; I812-L816 HydrophobicContact CG2-CG 4.3Å; I812-L816 WeakPolarHBondContact O-CG 3.3Å; I812-L816 PolarHBondContact O-N 3.45Å; I812-I833 HydrophobicContact CG2-CD1 4.01Å; I812-I833 HydrophobicContact CG2-CG1 4.14Å; I812-M837 HydrophobicContact CD1-CE 3.6Å; I812-M837 HydrophobicContact CD1-SD 3.74Å; I812-I839 HydrophobicContact CB-CD1 4.41Å; I812-I839 HydrophobicContact CD1-CD1 4.45Å; I812-I839 HydrophobicContact CG2-CD1 3.87Å
813	C	82.7	Confident	77.3	Confident	10 Å²	10	39.6 Å²	39.6	7%	0.068	23%	0.229	C	C	.	.	H	α-helix	trans	-59.4	-44.5	178.3	-169.3	0	0	0	0	111.3	P809 A810 L815 L816 Q817 I839 P840	P809-C813 WeakPolarHBondContact O-CB 3.09Å; P809-C813 PolarHBondContact O-N 2.85Å; A810-C813 PolarHBondContact O-N 3Å; C813-L815 VanDerWaalsContact C-N 3.35Å; C813-L815 PolarHBondContact O-N 2.92Å; C813-L816 PolarHBondContact O-N 3.01Å; C813-Q817 WeakPolarHBondContact O-CB 3.5Å; C813-Q817 VanDerWaalsContact O-CG 3.28Å; C813-Q817 WeakPolarHBondContact O-CG 3.48Å; C813-Q817 PolarHBondContact O-N 3.04Å; C813-I839 HydrophobicContact CB-CG2 3.83Å; C813-P840 PolarHBondContact SG-O 2.66Å
814	A	81.5	Confident	76.8	Confident	6 Å²	6	35.4 Å²	35.4	5%	0.05	21%	0.207	C	C	.	.	H	α-helix	trans	-63.5	-36.7	176.1	0	0	0	0	0	113	A746 A749 A810 F811 I812 N818	A746-A814 HydrophobicContact CB-CB 4.15Å; A749-A814 HydrophobicContact CB-CB 3.62Å; A810-A814 WeakPolarHBondContact O-CB 3.46Å; A810-A814 PolarHBondContact O-N 3.21Å; F811-A814 PolarHBondContact O-N 2.95Å; I812-A814 VanDerWaalsContact C-N 3.32Å; I812-A814 PolarHBondContact O-N 2.81Å; A814-N818 PolarHBondContact O-N 2.83Å; A814-N818 PolarHBondContact O-ND2 2.99Å
815	L	83	Confident	76.3	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.9	-44.9	173	-73.2	169.8	0	0	0	111.8	I753 V801 A805 F811 I812 C813 Q817 N818 A819 L829	I753-L815 HydrophobicContact CD1-CD2 3.75Å; I753-L815 HydrophobicContact CG1-CD2 3.67Å; V801-L815 HydrophobicContact CG1-CD1 4.21Å; V801-L815 HydrophobicContact CG1-CD2 3.7Å; A805-L815 HydrophobicContact CB-CD1 3.43Å; A805-L815 VanDerWaalsContact CB-CD1 3.43Å; F811-L815 HydrophobicContact CD1-CD1 3.79Å; F811-L815 HydrophobicContact CD1-CG 4.11Å; F811-L815 HydrophobicContact CE1-CD1 3.94Å; F811-L815 HydrophobicContact CE1-CG 4.2Å; F811-L815 WeakPolarHBondContact O-CG 3.43Å; F811-L815 PolarHBondContact O-N 3.15Å; I812-L815 PolarHBondContact O-N 2.96Å; C813-L815 VanDerWaalsContact C-N 3.35Å; C813-L815 PolarHBondContact O-N 2.92Å; L815-Q817 PolarHBondContact O-N 3.11Å; L815-N818 CarbonylContact O-C 3.56Å; L815-N818 PolarHBondContact O-N 2.94Å; L815-N818 VanDerWaalsContact O-N 3.11Å; L815-A819 PolarHBondContact O-N 3.02Å; L815-L829 HydrophobicContact CB-CD1 4.42Å; L815-L829 HydrophobicContact CB-CD2 3.68Å; L815-L829 HydrophobicContact CD1-CD1 3.91Å
816	L	80.1	Confident	75.7	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-63.8	-40	178.7	-74.2	171	0	0	0	112.3	I812 C813 N818 A819 L829 L830 I833 L842 A845	I812-L816 HydrophobicContact CG2-CD1 3.93Å; I812-L816 HydrophobicContact CG2-CG 4.3Å; I812-L816 WeakPolarHBondContact O-CG 3.3Å; I812-L816 PolarHBondContact O-N 3.45Å; C813-L816 PolarHBondContact O-N 3.01Å; L816-N818 PolarHBondContact O-N 2.83Å; L816-N818 VanDerWaalsContact O-N 3.15Å; L816-A819 WeakPolarHBondContact O-CB 3.35Å; L816-A819 PolarHBondContact O-N 3.04Å; L816-A819 VanDerWaalsContact O-N 3.09Å; L816-L829 HydrophobicContact CD2-CD2 3.69Å; L816-L829 HydrophobicContact CD2-CG 4.33Å; L816-L829 HydrophobicContact CG-CD2 3.86Å; L816-L830 HydrophobicContact CD2-CD2 3.93Å; L816-L830 HydrophobicContact CD2-CG 4.42Å; L816-I833 HydrophobicContact CD1-CD1 4.22Å; L816-L842 HydrophobicContact CD1-CD1 3.55Å; L816-A845 HydrophobicContact CB-CB 3.89Å
817	Q	79.1	Confident	75.5	Confident	80 Å²	80	41.8 Å²	41.8	37%	0.374	23%	0.226	S	C	.	.	H	α-helix	trans	-63.1	-18.3	175.7	-74.3	177.1	-1.2	0	0	113.4	C813 L815 A845 K848	C813-Q817 WeakPolarHBondContact O-CB 3.5Å; C813-Q817 VanDerWaalsContact O-CG 3.28Å; C813-Q817 WeakPolarHBondContact O-CG 3.48Å; C813-Q817 PolarHBondContact O-N 3.04Å; L815-Q817 PolarHBondContact O-N 3.11Å; Q817-A845 HydrophobicContact CG-CB 3.88Å; Q817-K848 WeakPolarHBondContact O-CE 3.48Å; Q817-K848 PolarHBondContact O-NZ 2.82Å
818	N	72.9	Confident	75.3	Confident	58 Å²	58	40.3 Å²	40.3	31%	0.31	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	9.9	177.1	-70.6	-65	0	0	0	112.2	I753 A814 L815 L816 G820 C821	I753-N818 HydrophobicContact CD1-CB 3.8Å; A814-N818 PolarHBondContact O-N 2.83Å; A814-N818 PolarHBondContact O-ND2 2.99Å; L815-N818 CarbonylContact O-C 3.56Å; L815-N818 PolarHBondContact O-N 2.94Å; L815-N818 VanDerWaalsContact O-N 3.11Å; L816-N818 PolarHBondContact O-N 2.83Å; L816-N818 VanDerWaalsContact O-N 3.15Å; N818-G820 PolarHBondContact O-N 3.11Å; N818-C821 PolarHBondContact O-N 2.8Å; N818-C821 VanDerWaalsContact O-N 3.13Å; N818-C821 PolarHBondContact O-SG 2.93Å
819	A	65.5	Low	74.9	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.008	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	9.2	-169	0	0	0	0	0	116.2	L815 L816 C821 L824 L849	L815-A819 PolarHBondContact O-N 3.02Å; L816-A819 WeakPolarHBondContact O-CB 3.35Å; L816-A819 PolarHBondContact O-N 3.04Å; L816-A819 VanDerWaalsContact O-N 3.09Å; A819-C821 VanDerWaalsContact C-N 3.3Å; A819-L824 HydrophobicContact CB-CD2 3.9Å; A819-L849 HydrophobicContact CB-CD1 3.55Å
820	G	62.7	Low	74.8	Confident	29 Å²	29	40.4 Å²	40.4	30%	0.299	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	5.4	162.9	0	0	0	0	0	114.9	N818	N818-G820 PolarHBondContact O-N 3.11Å
821	C	63.4	Low	74.9	Confident	9 Å²	9	49.7 Å²	49.7	6%	0.061	25%	0.249	C	C	.	.	S	Bend	trans	-67.8	131.3	174.9	-54	0	0	0	0	112	R757 W798 N818 A819 G823 L824	R757-C821 PolarHBondContact NE-SG 2.91Å; R757-C821 PolarHBondContact NH2-SG 2.92Å; W798-C821 HydrophobicContact CH2-CB 4.38Å; N818-C821 PolarHBondContact O-N 2.8Å; N818-C821 VanDerWaalsContact O-N 3.13Å; N818-C821 PolarHBondContact O-SG 2.93Å; A819-C821 VanDerWaalsContact C-N 3.3Å; C821-G823 PolarHBondContact O-N 3.32Å; C821-L824 HydrophobicContact CB-CB 4.38Å; C821-L824 PolarHBondContact O-N 2.81Å
822	E	61	Low	74.6	Confident	187 Å²	187	53.8 Å²	53.8	87%	0.874	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	121.9	160.3	-69.1	178.7	171.6	0	0	108.9
823	G	66	Low	74.4	Confident	48 Å²	48	55.4 Å²	55.4	50%	0.495	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	113.5	-25.7	-179.3	0	0	0	0	0	115.6	C821	C821-G823 PolarHBondContact O-N 3.32Å
824	L	73.8	Confident	74.2	Confident	10 Å²	10	57.8 Å²	57.8	5%	0.052	29%	0.292	C	S	.	.			trans	-92	109.7	175.9	-173.1	77.4	0	0	0	110.7	W798 I802 A819 C821 S826 L829	W798-L824 HydrophobicContact CE3-CB 4.15Å; W798-L824 HydrophobicContact CE3-CD1 3.69Å; W798-L824 HydrophobicContact CZ3-CB 4.17Å; W798-L824 HydrophobicContact CZ3-CD1 4.08Å; I802-L824 HydrophobicContact CD1-CD1 3.93Å; I802-L824 HydrophobicContact CG1-CD1 3.96Å; A819-L824 HydrophobicContact CB-CD2 3.9Å; C821-L824 HydrophobicContact CB-CB 4.38Å; C821-L824 PolarHBondContact O-N 2.81Å; L824-S826 PolarHBondContact O-N 2.78Å; L824-L829 HydrophobicContact CD2-CD2 4.39Å
825	D	73.4	Confident	74	Confident	48 Å²	48	63.6 Å²	63.6	26%	0.257	33%	0.329	S	S	.	.			trans	-74.5	96.8	172	-166.3	-20	0	0	0	110.3	R827 L828 L829	D825-R827 PolarHBondContact O-N 3.02Å; D825-R827 VanDerWaalsContact O-N 3.08Å; D825-R827 WeakPolarHBondContact OD1-CB 3.38Å; D825-R827 WeakPolarHBondContact OD1-CG 3.35Å; D825-R827 IonicContact OD1-CZ 3.81Å; D825-R827 PolarHBondContact OD1-N 2.75Å; D825-R827 IonicContact OD1-NE 2.97Å; D825-R827 PolarHBondContact OD1-NE 3.15Å; D825-R827 IonicContact OD1-NH2 3.74Å; D825-R827 IonicContact OD2-CZ 3.52Å; D825-R827 IonicContact OD2-NE 3.39Å; D825-R827 PolarHBondContact OD2-NE 2.93Å; D825-R827 IonicContact OD2-NH2 2.81Å; D825-R827 PolarHBondContact OD2-NH2 3.17Å; D825-L828 HydrophobicContact CB-CB 4.17Å; D825-L828 HydrophobicContact CB-CD1 3.88Å; D825-L828 HydrophobicContact CB-CG 3.88Å; D825-L828 WeakPolarHBondContact O-CB 3.35Å; D825-L828 PolarHBondContact O-N 2.75Å; D825-L829 PolarHBondContact O-N 2.86Å
826	S	72.1	Confident	73.9	Confident	13 Å²	13	70.5 Å²	70.5	9%	0.091	37%	0.367	C	S	.	.	H	α-helix	trans	-54.3	-26.9	177.1	63.9	0	0	0	0	112.6	L824 L830 Y853	L824-S826 PolarHBondContact O-N 2.78Å; S826-L830 WeakPolarHBondContact O-CB 3.49Å; S826-L830 VanDerWaalsContact O-CG 3.22Å; S826-L830 WeakPolarHBondContact O-CG 3.49Å; S826-L830 PolarHBondContact O-N 2.81Å; S826-Y853 PolarHBondContact OG-OH 2.79Å
827	R	74.3	Confident	74	Confident	166 Å²	166	72.3 Å²	72.3	63%	0.626	38%	0.375	S	S	*	.	H	α-helix	trans	-72.2	-38.4	177	-52.1	170.7	-64.7	-179.8	2.9	111.6	D825 R831	D825-R827 PolarHBondContact O-N 3.02Å; D825-R827 VanDerWaalsContact O-N 3.08Å; D825-R827 WeakPolarHBondContact OD1-CB 3.38Å; D825-R827 WeakPolarHBondContact OD1-CG 3.35Å; D825-R827 IonicContact OD1-CZ 3.81Å; D825-R827 PolarHBondContact OD1-N 2.75Å; D825-R827 IonicContact OD1-NE 2.97Å; D825-R827 PolarHBondContact OD1-NE 3.15Å; D825-R827 IonicContact OD1-NH2 3.74Å; D825-R827 IonicContact OD2-CZ 3.52Å; D825-R827 IonicContact OD2-NE 3.39Å; D825-R827 PolarHBondContact OD2-NE 2.93Å; D825-R827 IonicContact OD2-NH2 2.81Å; D825-R827 PolarHBondContact OD2-NH2 3.17Å; R827-R831 WeakPolarHBondContact O-CB 3.42Å; R827-R831 VanDerWaalsContact O-CG 3.28Å; R827-R831 WeakPolarHBondContact O-CG 3.38Å; R827-R831 PolarHBondContact O-N 2.8Å; R827-R831 VanDerWaalsContact O-N 3.1Å
828	L	76.2	Confident	74.1	Confident	84 Å²	84	74.4 Å²	74.4	44%	0.44	39%	0.394	S	S	.	.	H	α-helix	trans	-67.7	-38.9	176.3	-68.6	-179.1	0	0	0	111.2	I802 D825	I802-L828 HydrophobicContact CD1-CB 4.49Å; D825-L828 HydrophobicContact CB-CB 4.17Å; D825-L828 HydrophobicContact CB-CD1 3.88Å; D825-L828 HydrophobicContact CB-CG 3.88Å; D825-L828 WeakPolarHBondContact O-CB 3.35Å; D825-L828 PolarHBondContact O-N 2.75Å
829	L	78.2	Confident	74.5	Confident	3 Å²	3	72.4 Å²	72.4	2%	0.016	38%	0.383	C	S	.	.	H	α-helix	trans	-64.4	-48.6	175.8	-174.9	65	0	0	0	111.4	L815 L816 L824 D825 R831 K832	L815-L829 HydrophobicContact CB-CD1 4.42Å; L815-L829 HydrophobicContact CB-CD2 3.68Å; L815-L829 HydrophobicContact CD1-CD1 3.91Å; L816-L829 HydrophobicContact CD2-CD2 3.69Å; L816-L829 HydrophobicContact CD2-CG 4.33Å; L816-L829 HydrophobicContact CG-CD2 3.86Å; L824-L829 HydrophobicContact CD2-CD2 4.39Å; D825-L829 PolarHBondContact O-N 2.86Å; L829-R831 VanDerWaalsContact C-N 3.32Å; L829-R831 PolarHBondContact O-N 2.68Å; L829-K832 PolarHBondContact O-N 2.88Å
830	L	78.2	Confident	74.9	Confident	75 Å²	75	76.5 Å²	76.5	39%	0.393	41%	0.409	S	S	.	.	H	α-helix	trans	-63	-35.7	-179.9	-72.4	170.4	0	0	0	112.9	L816 S826 K832 I833	L816-L830 HydrophobicContact CD2-CD2 3.93Å; L816-L830 HydrophobicContact CD2-CG 4.42Å; S826-L830 WeakPolarHBondContact O-CB 3.49Å; S826-L830 VanDerWaalsContact O-CG 3.22Å; S826-L830 WeakPolarHBondContact O-CG 3.49Å; S826-L830 PolarHBondContact O-N 2.81Å; L830-K832 PolarHBondContact O-N 2.94Å; L830-I833 HydrophobicContact CD2-CD1 4.15Å; L830-I833 PolarHBondContact O-N 2.99Å
831	R	81.5	Confident	75.6	Confident	210 Å²	210	76.8 Å²	76.8	79%	0.792	41%	0.413	S	S	*	.	H	α-helix	trans	-66.7	-20.9	177.4	-79.5	177.4	178.1	-175.4	0.4	114.2	R827 L829	R827-R831 WeakPolarHBondContact O-CB 3.42Å; R827-R831 VanDerWaalsContact O-CG 3.28Å; R827-R831 WeakPolarHBondContact O-CG 3.38Å; R827-R831 PolarHBondContact O-N 2.8Å; R827-R831 VanDerWaalsContact O-N 3.1Å; L829-R831 VanDerWaalsContact C-N 3.32Å; L829-R831 PolarHBondContact O-N 2.68Å
832	K	77.5	Confident	76.6	Confident	88 Å²	88	78.8 Å²	78.8	38%	0.383	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-9	-178.1	-75.2	-164.6	178.1	-160.5	0	114.2	I802 L829 L830 S834	I802-K832 HydrophobicContact CG2-CD 3.75Å; L829-K832 PolarHBondContact O-N 2.88Å; L830-K832 PolarHBondContact O-N 2.94Å; K832-S834 PolarHBondContact O-N 2.79Å
833	I	80.7	Confident	77.7	Confident	37 Å²	37	79.5 Å²	79.5	19%	0.19	42%	0.417	C	S	.	.	S	Bend	trans	-71	117.4	176.8	-60.5	174.4	0	0	0	108.1	I812 L816 L830 I839	I812-I833 HydrophobicContact CG2-CD1 4.01Å; I812-I833 HydrophobicContact CG2-CG1 4.14Å; L816-I833 HydrophobicContact CD1-CD1 4.22Å; L830-I833 HydrophobicContact CD2-CD1 4.15Å; L830-I833 PolarHBondContact O-N 2.99Å; I833-I839 HydrophobicContact CD1-CD1 3.98Å; I833-I839 HydrophobicContact CG1-CD1 4.17Å; I833-I839 HydrophobicContact CG2-CD1 3.7Å
834	S	77.3	Confident	78.5	Confident	60 Å²	60	82.4 Å²	82.4	42%	0.42	42%	0.421	S	S	.	.			trans	-65.2	140.2	174.5	178.5	0	0	0	0	110.1	K832 D836 M837	K832-S834 PolarHBondContact O-N 2.79Å; S834-D836 PolarHBondContact O-N 2.85Å; S834-D836 VanDerWaalsContact O-N 3.11Å; S834-M837 VanDerWaalsContact O-CB 3.32Å; S834-M837 WeakPolarHBondContact O-CB 3.44Å; S834-M837 PolarHBondContact O-N 3.13Å; S834-M837 VanDerWaalsContact O-N 3.07Å
835	P	77.1	Confident	78.8	Confident	128 Å²	128	81.9 Å²	81.9	83%	0.831	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.1	179.7	20.9	-31.8	0	0	0	113.8
836	D	80.7	Confident	79.2	Confident	146 Å²	146	82.6 Å²	82.6	78%	0.781	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	2	-178.5	-55.9	-40.8	0	0	0	113.6	S834	S834-D836 PolarHBondContact O-N 2.85Å; S834-D836 VanDerWaalsContact O-N 3.11Å
837	M	82.1	Confident	79.8	Confident	39 Å²	39	85.9 Å²	85.9	19%	0.192	44%	0.441	C	S	.	.			trans	-84.4	118.5	-172.7	-167.8	175.4	-168.2	0	0	112.2	P809 I812 S834 I839	P809-M837 HydrophobicContact CB-CE 4.02Å; P809-M837 HydrophobicContact CG-CE 3.58Å; I812-M837 HydrophobicContact CD1-CE 3.6Å; I812-M837 HydrophobicContact CD1-SD 3.74Å; S834-M837 VanDerWaalsContact O-CB 3.32Å; S834-M837 WeakPolarHBondContact O-CB 3.44Å; S834-M837 PolarHBondContact O-N 3.13Å; S834-M837 VanDerWaalsContact O-N 3.07Å; M837-I839 HydrophobicContact CG-CG1 4.1Å; M837-I839 PolarHBondContact O-N 3.27Å; M837-I839 HydrophobicContact SD-CD1 4.38Å; M837-I839 HydrophobicContact SD-CG1 4.39Å
838	T	81	Confident	80.1	Confident	123 Å²	123	82.4 Å²	82.4	76%	0.755	43%	0.431	S	S	*	.			trans	-81.9	111.2	173.8	51	0	0	0	0	110.7	P809	P809-T838 WeakPolarHBondContact CB-O 3.16Å
839	I	81.2	Confident	80.4	Confident	17 Å²	17	79.1 Å²	79.1	9%	0.087	41%	0.413	C	S	.	.			trans	-107.8	112.6	179	-60.9	171.3	0	0	0	109.5	P809 I812 C813 I833 M837 G841 L842	P809-I839 HydrophobicContact CB-CG1 4.2Å; I812-I839 HydrophobicContact CB-CD1 4.41Å; I812-I839 HydrophobicContact CD1-CD1 4.45Å; I812-I839 HydrophobicContact CG2-CD1 3.87Å; C813-I839 HydrophobicContact CB-CG2 3.83Å; I833-I839 HydrophobicContact CD1-CD1 3.98Å; I833-I839 HydrophobicContact CG1-CD1 4.17Å; I833-I839 HydrophobicContact CG2-CD1 3.7Å; M837-I839 HydrophobicContact CG-CG1 4.1Å; M837-I839 PolarHBondContact O-N 3.27Å; M837-I839 HydrophobicContact SD-CD1 4.38Å; M837-I839 HydrophobicContact SD-CG1 4.39Å; I839-G841 PolarHBondContact O-N 3.47Å; I839-L842 HydrophobicContact CB-CB 3.99Å; I839-L842 HydrophobicContact CB-CD1 4.38Å; I839-L842 HydrophobicContact CB-CD2 4.36Å; I839-L842 HydrophobicContact CB-CG 4.47Å; I839-L842 HydrophobicContact CD1-CD1 4.26Å; I839-L842 HydrophobicContact CG2-CB 4.02Å; I839-L842 HydrophobicContact CG2-CD1 4.21Å; I839-L842 WeakPolarHBondContact O-CB 3.34Å; I839-L842 PolarHBondContact O-N 3.31Å
840	P	75.7	Confident	80.5	Confident	86 Å²	86	85.3 Å²	85.3	56%	0.558	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	131.4	175.8	-20.7	31.7	0	0	0	111.1	C813 L842	C813-P840 PolarHBondContact SG-O 2.66Å; P840-L842 VanDerWaalsContact C-N 3.26Å; P840-L842 PolarHBondContact O-N 2.98Å
841	G	77.3	Confident	80.7	Confident	36 Å²	36	86.8 Å²	86.8	37%	0.371	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	13.4	177.7	0	0	0	0	0	115.3	I839 R843 D844 A845	I839-G841 PolarHBondContact O-N 3.47Å; G841-R843 VanDerWaalsContact C-N 3.27Å; G841-R843 PolarHBondContact O-N 3.08Å; G841-D844 PolarHBondContact O-N 2.84Å; G841-D844 VanDerWaalsContact O-N 3.12Å; G841-A845 PolarHBondContact O-N 2.85Å
842	L	82.8	Confident	80.6	Confident	51 Å²	51	79 Å²	79	27%	0.267	42%	0.423	S	S	.	.	H	α-helix	trans	-55.1	-41.8	-178.8	-178.2	61.8	0	0	0	112.9	L816 I839 P840 D844 A845 I846	L816-L842 HydrophobicContact CD1-CD1 3.55Å; I839-L842 HydrophobicContact CB-CB 3.99Å; I839-L842 HydrophobicContact CB-CD1 4.38Å; I839-L842 HydrophobicContact CB-CD2 4.36Å; I839-L842 HydrophobicContact CB-CG 4.47Å; I839-L842 HydrophobicContact CD1-CD1 4.26Å; I839-L842 HydrophobicContact CG2-CB 4.02Å; I839-L842 HydrophobicContact CG2-CD1 4.21Å; I839-L842 WeakPolarHBondContact O-CB 3.34Å; I839-L842 PolarHBondContact O-N 3.31Å; P840-L842 VanDerWaalsContact C-N 3.26Å; P840-L842 PolarHBondContact O-N 2.98Å; L842-D844 VanDerWaalsContact C-N 3.34Å; L842-D844 PolarHBondContact O-N 2.83Å; L842-A845 PolarHBondContact O-N 3.03Å; L842-I846 HydrophobicContact CD1-CD1 3.86Å; L842-I846 HydrophobicContact CD1-CG1 4.11Å; L842-I846 HydrophobicContact CD2-CD1 4.41Å; L842-I846 HydrophobicContact CG-CD1 3.78Å; L842-I846 HydrophobicContact CG-CG1 4.39Å; L842-I846 VanDerWaalsContact O-CG1 3.31Å; L842-I846 WeakPolarHBondContact O-CG1 3.49Å; L842-I846 PolarHBondContact O-N 3.4Å
843	R	83.9	Confident	80.7	Confident	201 Å²	201	79.7 Å²	79.7	76%	0.758	42%	0.423	S	S	*	.	H	α-helix	trans	-56.9	-50.1	177.7	-178.9	-173.7	177.7	-165.1	-1	110.8	G841 A845 I846 V847	G841-R843 VanDerWaalsContact C-N 3.27Å; G841-R843 PolarHBondContact O-N 3.08Å; R843-A845 VanDerWaalsContact C-N 3.33Å; R843-A845 PolarHBondContact O-N 3.1Å; R843-I846 PolarHBondContact O-N 3.14Å; R843-V847 HydrophobicContact CG-CG2 4.46Å; R843-V847 WeakPolarHBondContact O-CB 3.22Å; R843-V847 VanDerWaalsContact O-CG2 3.26Å; R843-V847 WeakPolarHBondContact O-CG2 3.31Å; R843-V847 PolarHBondContact O-N 2.87Å
844	D	83.5	Confident	80.8	Confident	109 Å²	109	83.7 Å²	83.7	58%	0.583	44%	0.439	S	S	*	.	H	α-helix	trans	-67.6	-38.2	-176.9	-56.4	-36.5	0	0	0	110.8	G841 L842 V847 K848	G841-D844 PolarHBondContact O-N 2.84Å; G841-D844 VanDerWaalsContact O-N 3.12Å; L842-D844 VanDerWaalsContact C-N 3.34Å; L842-D844 PolarHBondContact O-N 2.83Å; D844-V847 PolarHBondContact O-N 3.24Å; D844-K848 VanDerWaalsContact O-CB 3.31Å; D844-K848 WeakPolarHBondContact O-CB 3.35Å; D844-K848 PolarHBondContact O-N 3.06Å
845	A	80	Confident	81.1	Confident	0 Å²	0	84.5 Å²	84.5	0%	0	44%	0.438	C	S	.	.	H	α-helix	trans	-63.3	-41.9	174.9	0	0	0	0	0	112.5	L816 Q817 G841 L842 R843 L849	L816-A845 HydrophobicContact CB-CB 3.89Å; Q817-A845 HydrophobicContact CG-CB 3.88Å; G841-A845 PolarHBondContact O-N 2.85Å; L842-A845 PolarHBondContact O-N 3.03Å; R843-A845 VanDerWaalsContact C-N 3.33Å; R843-A845 PolarHBondContact O-N 3.1Å; A845-L849 WeakPolarHBondContact O-CB 3.23Å; A845-L849 PolarHBondContact O-N 3.12Å
846	I	81.6	Confident	81.2	Confident	63 Å²	63	83.2 Å²	83.2	32%	0.323	42%	0.421	S	S	.	.	H	α-helix	trans	-69.4	-42.5	176.4	-67.4	171.4	0	0	0	111.1	L842 R843 K848 L849 M850	L842-I846 HydrophobicContact CD1-CD1 3.86Å; L842-I846 HydrophobicContact CD1-CG1 4.11Å; L842-I846 HydrophobicContact CD2-CD1 4.41Å; L842-I846 HydrophobicContact CG-CD1 3.78Å; L842-I846 HydrophobicContact CG-CG1 4.39Å; L842-I846 VanDerWaalsContact O-CG1 3.31Å; L842-I846 WeakPolarHBondContact O-CG1 3.49Å; L842-I846 PolarHBondContact O-N 3.4Å; R843-I846 PolarHBondContact O-N 3.14Å; I846-K848 VanDerWaalsContact C-N 3.31Å; I846-K848 PolarHBondContact O-N 3.36Å; I846-L849 WeakPolarHBondContact O-CB 3.08Å; I846-L849 PolarHBondContact O-N 3.3Å; I846-M850 HydrophobicContact CG2-CG 4.46Å; I846-M850 HydrophobicContact CG2-SD 4.28Å; I846-M850 WeakPolarHBondContact O-CG 3.45Å; I846-M850 PolarHBondContact O-N 2.99Å
847	V	84.6	Confident	81.3	Confident	82 Å²	82	81.2 Å²	81.2	50%	0.497	41%	0.41	S	S	.	.	H	α-helix	trans	-60.5	-44.4	176.6	168.8	0	0	0	0	110.3	R843 D844 M850 H851	R843-V847 HydrophobicContact CG-CG2 4.46Å; R843-V847 WeakPolarHBondContact O-CB 3.22Å; R843-V847 VanDerWaalsContact O-CG2 3.26Å; R843-V847 WeakPolarHBondContact O-CG2 3.31Å; R843-V847 PolarHBondContact O-N 2.87Å; D844-V847 PolarHBondContact O-N 3.24Å; V847-M850 PolarHBondContact O-N 2.9Å; V847-H851 VanDerWaalsContact O-CB 3.31Å; V847-H851 WeakPolarHBondContact O-CB 3.16Å; V847-H851 PolarHBondContact O-N 3.4Å
848	K	82	Confident	81.5	Confident	93 Å²	93	83.8 Å²	83.8	40%	0.404	42%	0.421	S	S	.	.	H	α-helix	trans	-59.9	-48.2	174.8	-172.9	-175.8	177.8	-167.8	0	111.2	Q817 D844 I846 M850 H851 D852	Q817-K848 WeakPolarHBondContact O-CE 3.48Å; Q817-K848 PolarHBondContact O-NZ 2.82Å; D844-K848 VanDerWaalsContact O-CB 3.31Å; D844-K848 WeakPolarHBondContact O-CB 3.35Å; D844-K848 PolarHBondContact O-N 3.06Å; I846-K848 VanDerWaalsContact C-N 3.31Å; I846-K848 PolarHBondContact O-N 3.36Å; K848-M850 VanDerWaalsContact C-N 3.35Å; K848-M850 PolarHBondContact O-N 3.27Å; K848-H851 WeakPolarHBondContact O-CB 3.26Å; K848-H851 PolarHBondContact O-N 3.42Å; K848-H851 VanDerWaalsContact O-N 3.1Å; K848-D852 VanDerWaalsContact O-CG 3.29Å; K848-D852 PolarHBondContact O-N 3.39Å
849	L	80.9	Confident	81.5	Confident	14 Å²	14	83.1 Å²	83.1	7%	0.073	41%	0.413	C	S	.	.	H	α-helix	trans	-54.9	-50	177.1	-176.3	63.1	0	0	0	111.8	A819 A845 I846 H851 D852 Y853	A819-L849 HydrophobicContact CB-CD1 3.55Å; A845-L849 WeakPolarHBondContact O-CB 3.23Å; A845-L849 PolarHBondContact O-N 3.12Å; I846-L849 WeakPolarHBondContact O-CB 3.08Å; I846-L849 PolarHBondContact O-N 3.3Å; L849-H851 VanDerWaalsContact C-N 3.3Å; L849-H851 PolarHBondContact O-N 2.97Å; L849-D852 PolarHBondContact O-N 2.75Å; L849-Y853 HydrophobicContact CD1-CD2 3.98Å; L849-Y853 HydrophobicContact CD1-CE2 3.54Å; L849-Y853 HydrophobicContact CG-CD2 4.03Å; L849-Y853 HydrophobicContact CG-CE2 3.89Å; L849-Y853 WeakPolarHBondContact O-CD2 3.14Å; L849-Y853 PolarHBondContact O-N 2.82Å; L849-Y853 VanDerWaalsContact O-N 3.08Å
850	M	81.6	Confident	81.5	Confident	134 Å²	134	89.1 Å²	89.1	66%	0.66	44%	0.44	S	S	*	.	H	α-helix	trans	-63	-37.4	178.2	-69.6	-177.2	73.2	0	0	112.3	I846 V847 K848 K854	I846-M850 HydrophobicContact CG2-CG 4.46Å; I846-M850 HydrophobicContact CG2-SD 4.28Å; I846-M850 WeakPolarHBondContact O-CG 3.45Å; I846-M850 PolarHBondContact O-N 2.99Å; V847-M850 PolarHBondContact O-N 2.9Å; K848-M850 VanDerWaalsContact C-N 3.35Å; K848-M850 PolarHBondContact O-N 3.27Å; M850-K854 WeakPolarHBondContact O-CB 3.4Å; M850-K854 PolarHBondContact O-N 2.83Å
851	H	83	Confident	82	Confident	106 Å²	106	90.9 Å²	90.9	49%	0.491	44%	0.441	S	S	.	.	H	α-helix	trans	-66.5	-44.6	177	-172.9	68.5	0	0	0	112	V847 K848 L849 Y853 K854 I855	V847-H851 VanDerWaalsContact O-CB 3.31Å; V847-H851 WeakPolarHBondContact O-CB 3.16Å; V847-H851 PolarHBondContact O-N 3.4Å; K848-H851 WeakPolarHBondContact O-CB 3.26Å; K848-H851 PolarHBondContact O-N 3.42Å; K848-H851 VanDerWaalsContact O-N 3.1Å; L849-H851 VanDerWaalsContact C-N 3.3Å; L849-H851 PolarHBondContact O-N 2.97Å; H851-Y853 VanDerWaalsContact C-N 3.34Å; H851-Y853 PolarHBondContact O-N 2.85Å; H851-K854 WeakPolarHBondContact O-CB 3.15Å; H851-K854 PolarHBondContact O-N 2.81Å; H851-K854 VanDerWaalsContact O-N 3.11Å; H851-I855 WeakPolarHBondContact NE2-CD1 3.47Å; H851-I855 WeakPolarHBondContact O-CG1 3.49Å; H851-I855 PolarHBondContact O-N 2.78Å
852	D	78.1	Confident	82.4	Confident	47 Å²	47	91.1 Å²	91.1	25%	0.251	44%	0.437	S	S	.	.	H	α-helix	trans	-61.7	-43	178.1	-68.3	-13.1	0	0	0	110.8	K848 L849 K854 I855 Q856	K848-D852 VanDerWaalsContact O-CG 3.29Å; K848-D852 PolarHBondContact O-N 3.39Å; L849-D852 PolarHBondContact O-N 2.75Å; D852-K854 VanDerWaalsContact C-N 3.34Å; D852-K854 PolarHBondContact O-N 2.89Å; D852-I855 PolarHBondContact O-N 2.75Å; D852-Q856 WeakPolarHBondContact O-CG 3.35Å; D852-Q856 PolarHBondContact O-N 3Å
853	Y	79.7	Confident	82.4	Confident	102 Å²	102	91.6 Å²	91.6	40%	0.4	44%	0.444	S	S	.	.	H	α-helix	trans	-61.8	-40.1	172.8	-85.9	-69.3	0	0	0	112.6	S826 L849 H851 Q856 L857	S826-Y853 PolarHBondContact OG-OH 2.79Å; L849-Y853 HydrophobicContact CD1-CD2 3.98Å; L849-Y853 HydrophobicContact CD1-CE2 3.54Å; L849-Y853 HydrophobicContact CG-CD2 4.03Å; L849-Y853 HydrophobicContact CG-CE2 3.89Å; L849-Y853 WeakPolarHBondContact O-CD2 3.14Å; L849-Y853 PolarHBondContact O-N 2.82Å; L849-Y853 VanDerWaalsContact O-N 3.08Å; H851-Y853 VanDerWaalsContact C-N 3.34Å; H851-Y853 PolarHBondContact O-N 2.85Å; Y853-Q856 PolarHBondContact O-N 2.84Å; Y853-L857 WeakPolarHBondContact O-CG 3.26Å; Y853-L857 PolarHBondContact O-N 3.12Å
854	K	83.7	Confident	82.4	Confident	121 Å²	121	85.5 Å²	85.5	53%	0.526	43%	0.432	S	S	.	.	H	α-helix	trans	-63.9	-44.4	176.4	-178.6	179.4	170.4	-178.1	0	111.4	M850 H851 D852 Q856 L857 E858	M850-K854 WeakPolarHBondContact O-CB 3.4Å; M850-K854 PolarHBondContact O-N 2.83Å; H851-K854 WeakPolarHBondContact O-CB 3.15Å; H851-K854 PolarHBondContact O-N 2.81Å; H851-K854 VanDerWaalsContact O-N 3.11Å; D852-K854 VanDerWaalsContact C-N 3.34Å; D852-K854 PolarHBondContact O-N 2.89Å; K854-Q856 VanDerWaalsContact C-N 3.35Å; K854-Q856 PolarHBondContact O-N 2.84Å; K854-L857 PolarHBondContact O-N 3.28Å; K854-E858 WeakPolarHBondContact CE-OE1 3.46Å; K854-E858 IonicContact NZ-OE1 3.45Å; K854-E858 PolarHBondContact O-N 2.93Å
855	I	83.5	Confident	82.5	Confident	77 Å²	77	88.2 Å²	88.2	40%	0.395	43%	0.434	S	S	.	.	H	α-helix	trans	-60.6	-44.5	176.8	-71.3	175	0	0	0	110.7	H851 D852 L857 E858 L859	H851-I855 WeakPolarHBondContact NE2-CD1 3.47Å; H851-I855 WeakPolarHBondContact O-CG1 3.49Å; H851-I855 PolarHBondContact O-N 2.78Å; D852-I855 PolarHBondContact O-N 2.75Å; I855-L857 VanDerWaalsContact C-N 3.28Å; I855-L857 PolarHBondContact O-N 2.87Å; I855-E858 PolarHBondContact O-N 3.5Å; I855-L859 VanDerWaalsContact O-CB 3.31Å; I855-L859 WeakPolarHBondContact O-CB 3.3Å; I855-L859 PolarHBondContact O-N 3.35Å
856	Q	78.5	Confident	82.9	Confident	101 Å²	101	93 Å²	93	47%	0.472	46%	0.459	S	S	.	.	H	α-helix	trans	-57.8	-42.3	178.4	-76	-179.4	-12.2	0	0	111.9	D852 Y853 K854 Q860	D852-Q856 WeakPolarHBondContact O-CG 3.35Å; D852-Q856 PolarHBondContact O-N 3Å; Y853-Q856 PolarHBondContact O-N 2.84Å; K854-Q856 VanDerWaalsContact C-N 3.35Å; K854-Q856 PolarHBondContact O-N 2.84Å; Q856-Q860 WeakPolarHBondContact O-CB 3.4Å; Q856-Q860 PolarHBondContact O-N 2.87Å; Q856-Q860 VanDerWaalsContact O-N 3.09Å
857	L	81.8	Confident	82.9	Confident	104 Å²	104	95.8 Å²	95.8	55%	0.545	47%	0.473	S	S	.	.	H	α-helix	trans	-65.4	-44.5	175.6	-69.9	169.4	0	0	0	112.3	Y853 K854 I855 Q860 Q861	Y853-L857 WeakPolarHBondContact O-CG 3.26Å; Y853-L857 PolarHBondContact O-N 3.12Å; K854-L857 PolarHBondContact O-N 3.28Å; I855-L857 VanDerWaalsContact C-N 3.28Å; I855-L857 PolarHBondContact O-N 2.87Å; L857-Q860 PolarHBondContact O-N 3.14Å; L857-Q861 WeakPolarHBondContact O-CG 3.37Å; L857-Q861 PolarHBondContact O-N 3.16Å; L857-Q861 VanDerWaalsContact O-N 3.11Å
858	E	87.1	Confident	82.9	Confident	92 Å²	92	95.2 Å²	95.2	43%	0.43	47%	0.473	S	S	.	.	H	α-helix	trans	-66.7	-37.1	178.6	-74	-179.2	177.9	0	0	112.6	K854 I855 Q861 S862	K854-E858 WeakPolarHBondContact CE-OE1 3.46Å; K854-E858 IonicContact NZ-OE1 3.45Å; K854-E858 PolarHBondContact O-N 2.93Å; I855-E858 PolarHBondContact O-N 3.5Å; E858-Q861 PolarHBondContact O-N 2.97Å; E858-S862 WeakPolarHBondContact O-CB 3.49Å; E858-S862 PolarHBondContact O-N 2.79Å; E858-S862 PolarHBondContact O-OG 2.91Å
859	L	82.3	Confident	83.2	Confident	110 Å²	110	93.8 Å²	93.8	58%	0.576	48%	0.475	S	S	*	.	H	α-helix	trans	-62.4	-48.8	175.1	-171.6	79.4	0	0	0	110.1	I855 Q861 S862 C863	I855-L859 VanDerWaalsContact O-CB 3.31Å; I855-L859 WeakPolarHBondContact O-CB 3.3Å; I855-L859 PolarHBondContact O-N 3.35Å; L859-Q861 VanDerWaalsContact C-N 3.3Å; L859-Q861 PolarHBondContact O-N 2.82Å; L859-S862 PolarHBondContact O-N 3.27Å; L859-S862 VanDerWaalsContact O-N 3.08Å; L859-C863 PolarHBondContact O-N 3.02Å; L859-C863 PolarHBondContact O-SG 2.85Å; L859-C863 VanDerWaalsContact O-SG 3.41Å
860	Q	80.3	Confident	83.4	Confident	142 Å²	142	96.8 Å²	96.8	66%	0.664	49%	0.491	S	S	*	.	H	α-helix	trans	-58.2	-43.6	178.5	-169.8	179.9	9.7	0	0	111.6	Q856 L857 S862 S864	Q856-Q860 WeakPolarHBondContact O-CB 3.4Å; Q856-Q860 PolarHBondContact O-N 2.87Å; Q856-Q860 VanDerWaalsContact O-N 3.09Å; L857-Q860 PolarHBondContact O-N 3.14Å; Q860-S862 PolarHBondContact O-N 3.35Å; Q860-S864 PolarHBondContact O-N 3.27Å
861	Q	85.8	Confident	83.4	Confident	124 Å²	124	97.1 Å²	97.1	58%	0.579	49%	0.493	S	S	*	.	H	α-helix	trans	-66	-35.7	175.9	-71.1	178.1	1.5	0	0	112.9	L857 E858 L859 R865	L857-Q861 WeakPolarHBondContact O-CG 3.37Å; L857-Q861 PolarHBondContact O-N 3.16Å; L857-Q861 VanDerWaalsContact O-N 3.11Å; E858-Q861 PolarHBondContact O-N 2.97Å; L859-Q861 VanDerWaalsContact C-N 3.3Å; L859-Q861 PolarHBondContact O-N 2.82Å; Q861-R865 PolarHBondContact O-N 2.83Å; Q861-R865 PolarHBondContact O-NE 2.79Å
862	S	85.1	Confident	83.5	Confident	40 Å²	40	97.6 Å²	97.6	28%	0.28	50%	0.495	S	S	.	.	H	α-helix	trans	-74.9	-42.5	-179.5	-59	0	0	0	0	112.2	E858 L859 Q860 S864 R865 I866	E858-S862 WeakPolarHBondContact O-CB 3.49Å; E858-S862 PolarHBondContact O-N 2.79Å; E858-S862 PolarHBondContact O-OG 2.91Å; L859-S862 PolarHBondContact O-N 3.27Å; L859-S862 VanDerWaalsContact O-N 3.08Å; Q860-S862 PolarHBondContact O-N 3.35Å; S862-S864 VanDerWaalsContact C-N 3.27Å; S862-S864 PolarHBondContact O-N 3.4Å; S862-R865 PolarHBondContact O-N 3.03Å; S862-R865 VanDerWaalsContact O-N 3.11Å; S862-R865 PolarHBondContact OG-NH2 2.77Å; S862-I866 WeakPolarHBondContact O-CG1 3.42Å; S862-I866 PolarHBondContact O-N 3.02Å
863	C	83.6	Confident	83.8	Confident	62 Å²	62	101.3 Å²	101.3	42%	0.419	51%	0.511	S	S	.	.	H	α-helix	trans	-57	-42.1	172.4	-70.8	0	0	0	0	111.4	L859 R865 I866 L867	L859-C863 PolarHBondContact O-N 3.02Å; L859-C863 PolarHBondContact O-SG 2.85Å; L859-C863 VanDerWaalsContact O-SG 3.41Å; C863-R865 VanDerWaalsContact C-N 3.33Å; C863-R865 PolarHBondContact O-N 3.08Å; C863-I866 PolarHBondContact O-N 2.93Å; C863-L867 WeakPolarHBondContact O-CB 3.36Å; C863-L867 WeakPolarHBondContact O-CG 3.47Å; C863-L867 PolarHBondContact O-N 3.4Å
864	S	83.4	Confident	84	Confident	72 Å²	72	101.8 Å²	101.8	50%	0.503	52%	0.519	S	S	.	.	H	α-helix	trans	-59	-41.9	175.3	-177.5	0	0	0	0	112.7	Q860 S862 S868	Q860-S864 PolarHBondContact O-N 3.27Å; S862-S864 VanDerWaalsContact C-N 3.27Å; S862-S864 PolarHBondContact O-N 3.4Å; S864-S868 PolarHBondContact O-N 3.03Å; S864-S868 PolarHBondContact O-OG 2.84Å
865	R	85.6	Confident	83.8	Confident	167 Å²	167	102.1 Å²	102.1	63%	0.63	52%	0.521	S	S	*	.	H	α-helix	trans	-67.3	-44.2	176.6	-74.6	-177.6	-75.4	160.5	-3	112.9	Q861 S862 C863 S868 S869	Q861-R865 PolarHBondContact O-N 2.83Å; Q861-R865 PolarHBondContact O-NE 2.79Å; S862-R865 PolarHBondContact O-N 3.03Å; S862-R865 VanDerWaalsContact O-N 3.11Å; S862-R865 PolarHBondContact OG-NH2 2.77Å; C863-R865 VanDerWaalsContact C-N 3.33Å; C863-R865 PolarHBondContact O-N 3.08Å; R865-S868 PolarHBondContact O-N 2.99Å; R865-S869 PolarHBondContact O-N 3.11Å; R865-S869 VanDerWaalsContact O-N 3.09Å
866	I	88.6	Confident	83.8	Confident	100 Å²	100	102.9 Å²	102.9	51%	0.513	53%	0.526	S	S	.	.	H	α-helix	trans	-62.9	-48.9	179.4	-67.1	167.4	0	0	0	110.5	S862 C863 S868 S869 D870	S862-I866 WeakPolarHBondContact O-CG1 3.42Å; S862-I866 PolarHBondContact O-N 3.02Å; C863-I866 PolarHBondContact O-N 2.93Å; I866-S868 PolarHBondContact O-N 3.38Å; I866-S869 WeakPolarHBondContact O-CA 3.44Å; I866-S869 WeakPolarHBondContact O-CB 3.26Å; I866-S869 PolarHBondContact O-N 3.2Å; I866-D870 PolarHBondContact O-N 3.21Å
867	L	81.9	Confident	83.9	Confident	121 Å²	121	106.4 Å²	106.4	63%	0.634	54%	0.535	S	S	*	.	H	α-helix	trans	-56.6	-40.2	178.2	-75.4	167.1	0	0	0	111.8	C863 M871	C863-L867 WeakPolarHBondContact O-CB 3.36Å; C863-L867 WeakPolarHBondContact O-CG 3.47Å; C863-L867 PolarHBondContact O-N 3.4Å; L867-M871 WeakPolarHBondContact O-CB 3.1Å; L867-M871 PolarHBondContact O-N 3.09Å; L867-M871 VanDerWaalsContact O-N 3.1Å
868	S	85.6	Confident	83.7	Confident	71 Å²	71	105.1 Å²	105.1	50%	0.497	53%	0.531	S	S	.	.	H	α-helix	trans	-64.2	-39.6	176.2	-60.1	0	0	0	0	112.5	S864 R865 I866 H872	S864-S868 PolarHBondContact O-N 3.03Å; S864-S868 PolarHBondContact O-OG 2.84Å; R865-S868 PolarHBondContact O-N 2.99Å; I866-S868 PolarHBondContact O-N 3.38Å; S868-H872 PolarHBondContact O-N 3.34Å
869	S	86.9	Confident	83.2	Confident	62 Å²	62	104.2 Å²	104.2	43%	0.434	53%	0.528	S	S	.	.	H	α-helix	trans	-68.7	-46	176.7	176.9	0	0	0	0	112.5	R865 I866 M871 H872 Q873	R865-S869 PolarHBondContact O-N 3.11Å; R865-S869 VanDerWaalsContact O-N 3.09Å; I866-S869 WeakPolarHBondContact O-CA 3.44Å; I866-S869 WeakPolarHBondContact O-CB 3.26Å; I866-S869 PolarHBondContact O-N 3.2Å; S869-M871 VanDerWaalsContact C-N 3.3Å; S869-M871 PolarHBondContact O-N 2.94Å; S869-H872 WeakPolarHBondContact O-CB 3.48Å; S869-H872 PolarHBondContact O-N 2.84Å; S869-H872 VanDerWaalsContact O-N 3.07Å; S869-Q873 PolarHBondContact O-N 2.77Å
870	D	85	Confident	83	Confident	77 Å²	77	106.6 Å²	106.6	41%	0.412	53%	0.534	S	S	.	.	H	α-helix	trans	-62.4	-40.1	-179.5	-77.1	-8.2	0	0	0	111.4	I866 H872 Q873 L874	I866-D870 PolarHBondContact O-N 3.21Å; D870-H872 VanDerWaalsContact C-N 3.27Å; D870-H872 PolarHBondContact O-N 3.41Å; D870-Q873 PolarHBondContact O-N 2.89Å; D870-L874 WeakPolarHBondContact O-CB 3.37Å; D870-L874 WeakPolarHBondContact O-CG 3.43Å; D870-L874 PolarHBondContact O-N 2.87Å
871	M	81.7	Confident	82.5	Confident	141 Å²	141	105.6 Å²	105.6	70%	0.695	53%	0.531	S	S	*	.	H	α-helix	trans	-57.4	-41.5	173.9	-170.2	-179.5	71.8	0	0	111.6	L867 S869 F875	L867-M871 WeakPolarHBondContact O-CB 3.1Å; L867-M871 PolarHBondContact O-N 3.09Å; L867-M871 VanDerWaalsContact O-N 3.1Å; S869-M871 VanDerWaalsContact C-N 3.3Å; S869-M871 PolarHBondContact O-N 2.94Å; M871-F875 WeakPolarHBondContact O-CB 2.93Å; M871-F875 PolarHBondContact O-N 3.4Å
872	H	85.3	Confident	81.6	Confident	117 Å²	117	104 Å²	104	54%	0.542	52%	0.524	S	S	.	.	H	α-helix	trans	-68	-42.2	177.8	-170.6	74	0	0	0	112.7	S868 S869 D870 F875 L876	S868-H872 PolarHBondContact O-N 3.34Å; S869-H872 WeakPolarHBondContact O-CB 3.48Å; S869-H872 PolarHBondContact O-N 2.84Å; S869-H872 VanDerWaalsContact O-N 3.07Å; D870-H872 VanDerWaalsContact C-N 3.27Å; D870-H872 PolarHBondContact O-N 3.41Å; H872-F875 WeakPolarHBondContact O-CB 3.43Å; H872-F875 PolarHBondContact O-N 2.9Å; H872-L876 PolarHBondContact O-N 2.87Å; H872-L876 VanDerWaalsContact O-N 3.16Å
873	Q	85	Confident	80.9	Confident	125 Å²	125	108.1 Å²	108.1	58%	0.584	54%	0.54	S	S	*	.	H	α-helix	trans	-66.1	-43	178.1	-72.2	-167.6	-2.1	0	0	112.8	S869 D870 F875 L876 R877	S869-Q873 PolarHBondContact O-N 2.77Å; D870-Q873 PolarHBondContact O-N 2.89Å; Q873-F875 VanDerWaalsContact C-N 3.25Å; Q873-F875 PolarHBondContact O-N 2.82Å; Q873-L876 PolarHBondContact O-N 3.03Å; Q873-R877 PolarHBondContact O-N 2.83Å
874	L	83.4	Confident	80.2	Confident	111 Å²	111	112 Å²	112	58%	0.581	55%	0.549	S	S	*	.	H	α-helix	trans	-59.7	-40.6	176.4	-73.7	171.5	0	0	0	110.8	D870 R877 V878	D870-L874 WeakPolarHBondContact O-CB 3.37Å; D870-L874 WeakPolarHBondContact O-CG 3.43Å; D870-L874 PolarHBondContact O-N 2.87Å; L874-R877 PolarHBondContact O-N 3.48Å; L874-V878 WeakPolarHBondContact O-CG2 3.36Å; L874-V878 PolarHBondContact O-N 2.88Å; L874-V878 VanDerWaalsContact O-N 3.14Å
875	F	80.4	Confident	79.4	Confident	129 Å²	129	112.5 Å²	112.5	57%	0.566	57%	0.566	S	S	*	*	H	α-helix	trans	-59.3	-47.4	175.1	-177.8	-102.1	0	0	0	112.6	M871 H872 Q873 R877 V878 I879	M871-F875 WeakPolarHBondContact O-CB 2.93Å; M871-F875 PolarHBondContact O-N 3.4Å; H872-F875 WeakPolarHBondContact O-CB 3.43Å; H872-F875 PolarHBondContact O-N 2.9Å; Q873-F875 VanDerWaalsContact C-N 3.25Å; Q873-F875 PolarHBondContact O-N 2.82Å; F875-R877 VanDerWaalsContact C-N 3.3Å; F875-R877 PolarHBondContact O-N 3.23Å; F875-V878 PolarHBondContact O-N 3.3Å; F875-I879 HydrophobicContact CD1-CD1 4.12Å; F875-I879 HydrophobicContact CE1-CD1 3.67Å; F875-I879 HydrophobicContact CZ-CD1 4.13Å; F875-I879 PolarHBondContact O-N 2.84Å
876	L	83.8	Confident	78.6	Confident	93 Å²	93	107.4 Å²	107.4	49%	0.487	55%	0.551	S	S	.	*	H	α-helix	trans	-62.3	-36.3	176.3	-69.4	174.4	0	0	0	112.7	H872 Q873 I879 K880	H872-L876 PolarHBondContact O-N 2.87Å; H872-L876 VanDerWaalsContact O-N 3.16Å; Q873-L876 PolarHBondContact O-N 3.03Å; L876-I879 PolarHBondContact O-N 3.27Å; L876-K880 PolarHBondContact O-N 3.12Å
877	R	80.3	Confident	77.5	Confident	174 Å²	174	114.2 Å²	114.2	66%	0.657	57%	0.57	S	S	*	*	H	α-helix	trans	-64.7	-39.6	178.4	-170.1	174.2	-177.4	165.4	0.9	112	Q873 L874 F875 K880 M881	Q873-R877 PolarHBondContact O-N 2.83Å; L874-R877 PolarHBondContact O-N 3.48Å; F875-R877 VanDerWaalsContact C-N 3.3Å; F875-R877 PolarHBondContact O-N 3.23Å; R877-K880 PolarHBondContact O-N 2.82Å; R877-M881 WeakPolarHBondContact O-CG 3.45Å; R877-M881 PolarHBondContact O-N 3.36Å
878	V	77.1	Confident	76.6	Confident	78 Å²	78	110.8 Å²	110.8	47%	0.473	55%	0.554	S	S	.	*	H	α-helix	trans	-60.7	-45.3	175.4	172.4	0	0	0	0	110.7	L874 F875 K880 M881 Q882	L874-V878 WeakPolarHBondContact O-CG2 3.36Å; L874-V878 PolarHBondContact O-N 2.88Å; L874-V878 VanDerWaalsContact O-N 3.14Å; F875-V878 PolarHBondContact O-N 3.3Å; V878-K880 VanDerWaalsContact C-N 3.35Å; V878-K880 PolarHBondContact O-N 2.81Å; V878-M881 PolarHBondContact O-N 2.8Å; V878-Q882 WeakPolarHBondContact O-CG 3.35Å; V878-Q882 PolarHBondContact O-N 3.44Å
879	I	77	Confident	75.6	Confident	73 Å²	73	112 Å²	112	37%	0.374	56%	0.555	S	S	.	*	H	α-helix	trans	-57.9	-47.7	176.2	-64	173.4	0	0	0	110.6	F875 L876 M881 Q882 M883	F875-I879 HydrophobicContact CD1-CD1 4.12Å; F875-I879 HydrophobicContact CE1-CD1 3.67Å; F875-I879 HydrophobicContact CZ-CD1 4.13Å; F875-I879 PolarHBondContact O-N 2.84Å; L876-I879 PolarHBondContact O-N 3.27Å; I879-M881 VanDerWaalsContact C-N 3.29Å; I879-M881 PolarHBondContact O-N 2.8Å; I879-Q882 PolarHBondContact O-N 3.43Å; I879-Q882 VanDerWaalsContact O-N 3.16Å; I879-M883 PolarHBondContact O-N 2.62Å
880	K	76.9	Confident	74.3	Confident	160 Å²	160	113.2 Å²	113.2	70%	0.696	56%	0.561	S	S	*	*	H	α-helix	trans	-61.7	-36	179.3	-170.1	174.6	-176.9	174.3	0	112.8	L876 R877 V878 M883	L876-K880 PolarHBondContact O-N 3.12Å; R877-K880 PolarHBondContact O-N 2.82Å; V878-K880 VanDerWaalsContact C-N 3.35Å; V878-K880 PolarHBondContact O-N 2.81Å; K880-M883 PolarHBondContact O-N 3.46Å
881	M	70.2	Confident	73.1	Confident	120 Å²	120	114.4 Å²	114.4	59%	0.591	58%	0.576	S	S	*	*	H	α-helix	trans	-69.5	-36.4	176.5	-73.4	-174.9	67	0	0	112.3	R877 V878 I879 M883 K884	R877-M881 WeakPolarHBondContact O-CG 3.45Å; R877-M881 PolarHBondContact O-N 3.36Å; V878-M881 PolarHBondContact O-N 2.8Å; I879-M881 VanDerWaalsContact C-N 3.29Å; I879-M881 PolarHBondContact O-N 2.8Å; M881-M883 PolarHBondContact O-N 2.88Å; M881-K884 PolarHBondContact O-N 3.13Å
882	Q	67.7	Low	72	Confident	92 Å²	92	108.9 Å²	108.9	43%	0.43	55%	0.553	S	S	.	*	H	α-helix	trans	-70.6	-15.1	177.1	-73.9	179.6	-12.6	0	0	114.1	V878 I879 H939	V878-Q882 WeakPolarHBondContact O-CG 3.35Å; V878-Q882 PolarHBondContact O-N 3.44Å; I879-Q882 PolarHBondContact O-N 3.43Å; I879-Q882 VanDerWaalsContact O-N 3.16Å; Q882-H939 HydrophobicContact CB-CB 4.48Å
883	M	68.8	Low	70.7	Confident	125 Å²	125	106.9 Å²	106.9	62%	0.616	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	1.6	176.5	-62.9	-156.4	91	0	0	114.6	I879 K880 M881 H939	I879-M883 PolarHBondContact O-N 2.62Å; K880-M883 PolarHBondContact O-N 3.46Å; M881-M883 PolarHBondContact O-N 2.88Å; M883-H939 WeakPolarHBondContact CE-CE1 3.41Å
884	K	69.6	Low	69.4	Low	143 Å²	143	104.5 Å²	104.5	62%	0.622	54%	0.538	S	S	*	.	S	Bend	trans	-77.8	149.6	177.9	-69.8	-173.1	176.4	-173.7	0	111.7	M881	M881-K884 PolarHBondContact O-N 3.13Å
885	G	67.5	Low	68.5	Low	83 Å²	83	103.3 Å²	103.3	86%	0.856	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-63.9	148.3	175.1	0	0	0	0	0	113.2
886	I	67.9	Low	68	Low	61 Å²	61	99.1 Å²	99.1	31%	0.313	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-90.8	131.6	179.7	-56.9	167	0	0	0	109.2	I937 N941 I943	I886-I937 HydrophobicContact CD1-CG2 3.61Å; I886-N941 HydrophobicContact CD1-CB 3.58Å; I886-N941 WeakPolarHBondContact CD1-O 3.05Å; I886-N941 HydrophobicContact CG1-CB 4.09Å; I886-I943 HydrophobicContact CD1-CD1 4.13Å; I886-I943 HydrophobicContact CD1-CG1 4.21Å
887	R	65.6	Low	67.6	Low	242 Å²	242	96.2 Å²	96.2	91%	0.913	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-78.2	123.6	177.5	-171	177.9	-179	-175.9	0.4	110.4
888	V	63.4	Low	67.6	Low	49 Å²	49	87.9 Å²	87.9	30%	0.297	48%	0.483	S	S	.	.			trans	-108	126.9	174.5	-179.2	0	0	0	0	109.4	I896 L906	V888-I896 HydrophobicContact CB-CD1 3.9Å; V888-I896 HydrophobicContact CG1-CD1 3.49Å; V888-I896 VanDerWaalsContact CG1-CD1 3.49Å; V888-I896 HydrophobicContact CG2-CD1 3.52Å; V888-L906 HydrophobicContact CG1-CD1 4.41Å
889	N	64.6	Low	67.5	Low	96 Å²	96	85.7 Å²	85.7	51%	0.513	47%	0.473	S	S	.	.			trans	-90.4	128.9	-179.8	-167.3	-8	0	0	0	110.7	S891 A892	N889-S891 PolarHBondContact ND2-OG 2.88Å; N889-S891 PolarHBondContact O-N 2.87Å; N889-S891 PolarHBondContact OD1-OG 2.8Å; N889-A892 HydrophobicContact CB-CB 4.32Å; N889-A892 PolarHBondContact O-N 3.16Å
890	P	59.6	Low	67.6	Low	88 Å²	88	85.7 Å²	85.7	57%	0.571	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-54.9	-33.1	179.1	-28.4	35	0	0	0	115.8	A892 W893	P890-A892 PolarHBondContact O-N 2.9Å; P890-W893 HydrophobicContact CB-CZ2 4.06Å
891	S	59.9	Low	67.7	Low	102 Å²	102	79.8 Å²	79.8	71%	0.713	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-76.7	-4.2	178.9	56	0	0	0	0	114.1	N889	N889-S891 PolarHBondContact ND2-OG 2.88Å; N889-S891 PolarHBondContact O-N 2.87Å; N889-S891 PolarHBondContact OD1-OG 2.8Å
892	A	58.5	Low	68.1	Low	26 Å²	26	80.7 Å²	80.7	22%	0.215	46%	0.461	C	S	.	.	G	3₁₀ helix	trans	-129.4	27.9	-173	0	0	0	0	0	112	N889 P890 S894 S895	N889-A892 HydrophobicContact CB-CB 4.32Å; N889-A892 PolarHBondContact O-N 3.16Å; P890-A892 PolarHBondContact O-N 2.9Å; A892-S894 PolarHBondContact O-N 3.37Å; A892-S894 VanDerWaalsContact O-N 3.09Å; A892-S895 WeakPolarHBondContact CB-OG 3.49Å; A892-S895 PolarHBondContact O-N 3.09Å; A892-S895 PolarHBondContact O-OG 3Å
893	W	58.5	Low	68.6	Low	75 Å²	75	80.1 Å²	80.1	28%	0.284	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-27.7	177.2	-71.2	-18.8	0	0	0	113.3	P890 L906 N908 G910	P890-W893 HydrophobicContact CB-CZ2 4.06Å; W893-L906 HydrophobicContact CB-CB 4.1Å; W893-L906 HydrophobicContact CG-CB 4.35Å; W893-L906 HydrophobicContact CG-CD1 4.5Å; W893-N908 VanDerWaalsContact CE3-C 3.44Å; W893-N908 VanDerWaalsContact CE3-O 3.31Å; W893-N908 WeakPolarHBondContact CZ3-O 3.23Å; W893-G910 VanDerWaalsContact CE3-N 3.27Å
894	S	57.1	Low	68.9	Low	75 Å²	75	75.3 Å²	75.3	52%	0.524	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-13.4	173.7	57.2	0	0	0	0	115.4	A892	A892-S894 PolarHBondContact O-N 3.37Å; A892-S894 VanDerWaalsContact O-N 3.09Å
895	S	64.2	Low	69.1	Low	86 Å²	86	68.7 Å²	68.7	60%	0.601	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-19.5	-174	75.3	0	0	0	0	114.3	A892 G897	A892-S895 WeakPolarHBondContact CB-OG 3.49Å; A892-S895 PolarHBondContact O-N 3.09Å; A892-S895 PolarHBondContact O-OG 3Å; S895-G897 PolarHBondContact O-N 2.81Å; S895-G897 VanDerWaalsContact O-N 3.16Å
896	I	70.7	Confident	69.2	Low	41 Å²	41	66 Å²	66	21%	0.21	37%	0.373	C	S	.	.			trans	-87	90.4	176.7	-58.4	-175.4	0	0	0	108.3	V888 I905 I943	V888-I896 HydrophobicContact CB-CD1 3.9Å; V888-I896 HydrophobicContact CG1-CD1 3.49Å; V888-I896 VanDerWaalsContact CG1-CD1 3.49Å; V888-I896 HydrophobicContact CG2-CD1 3.52Å; I896-I905 HydrophobicContact CG2-CD1 3.84Å; I896-I905 PolarHBondContact O-N 3.11Å; I896-I943 HydrophobicContact CG2-CD1 3.88Å
897	G	74	Confident	69.2	Low	31 Å²	31	64.1 Å²	64.1	32%	0.32	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-79.8	145.9	175.9	0	0	0	0	0	112.3	S895 A899 Q903	S895-G897 PolarHBondContact O-N 2.81Å; S895-G897 VanDerWaalsContact O-N 3.16Å; G897-A899 PolarHBondContact O-N 3.11Å; G897-Q903 CarbonylContact C-O 3.55Å; G897-Q903 WeakPolarHBondContact CA-O 3.43Å
898	C	81	Confident	69.2	Low	0 Å²	0	58.7 Å²	58.7	0%	0	35%	0.353	C	S	.	.			trans	-62.3	129.9	167.5	165.8	0	0	0	0	109.6	V900 L902 Q903 I905 I943 H945	C898-V900 PolarHBondContact O-N 2.83Å; C898-V900 PolarHBondContact SG-N 3.1Å; C898-V900 VanDerWaalsContact SG-N 3.41Å; C898-L902 WeakPolarHBondContact O-CA 3.37Å; C898-L902 PolarHBondContact O-N 2.82Å; C898-Q903 PolarHBondContact N-O 2.9Å; C898-I905 HydrophobicContact CB-CD1 4.46Å; C898-I905 HydrophobicContact CB-CG1 4.1Å; C898-I943 WeakPolarHBondContact CA-O 2.89Å; C898-H945 WeakPolarHBondContact CB-CE1 3.48Å; C898-H945 WeakPolarHBondContact CB-ND1 3.23Å; C898-H945 PolarHBondContact SG-N 3.37Å; C898-H945 VanDerWaalsContact SG-N 3.43Å
899	A	75.9	Confident	69.1	Low	32 Å²	32	62.2 Å²	62.2	26%	0.264	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-9.9	-178.3	0	0	0	0	0	114.5	G897 H942 I943	G897-A899 PolarHBondContact O-N 3.11Å; A899-H942 HydrophobicContact CB-CB 4.13Å; A899-I943 PolarHBondContact N-O 2.86Å
900	V	77.6	Confident	69	Low	72 Å²	72	59.3 Å²	59.3	44%	0.436	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-56.3	177.8	-179.5	0	0	0	0	111.4	C898 C944 C948 P957	C898-V900 PolarHBondContact O-N 2.83Å; C898-V900 PolarHBondContact SG-N 3.1Å; C898-V900 VanDerWaalsContact SG-N 3.41Å; V900-C944 HydrophobicContact CG2-CB 4.45Å; V900-C948 HydrophobicContact CB-CB 3.97Å; V900-C948 HydrophobicContact CG1-CB 4.2Å; V900-C948 HydrophobicContact CG2-CB 4.39Å; V900-P957 HydrophobicContact CG2-CB 4.42Å; V900-P957 HydrophobicContact CG2-CG 3.86Å
901	C	80.1	Confident	69.2	Low	36 Å²	36	59.2 Å²	59.2	24%	0.243	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-4.8	-174.4	74.4	0	0	0	0	114.5	Q903 H945 C948	C901-Q903 PolarHBondContact O-N 3.05Å; C901-H945 PolarHBondContact SG-CE1 3.33Å; C901-H945 PolarHBondContact SG-ND1 3.21Å; C901-C948 VanDerWaalsContact SG-SG 3.6Å
902	L	78.3	Confident	69.3	Low	139 Å²	139	55.7 Å²	55.7	73%	0.728	33%	0.33	S	S	*	.			trans	59.7	4.2	-178.3	-55.1	173.9	0	0	0	115.2	C898	C898-L902 WeakPolarHBondContact O-CA 3.37Å; C898-L902 PolarHBondContact O-N 2.82Å
903	Q	77.2	Confident	69.4	Low	80 Å²	80	58.1 Å²	58.1	37%	0.374	33%	0.334	S	S	.	.			trans	-77.5	149.8	175	-61.7	-57	-44.1	0	0	111.1	G897 C898 C901 I905 W913	G897-Q903 CarbonylContact C-O 3.55Å; G897-Q903 WeakPolarHBondContact CA-O 3.43Å; C898-Q903 PolarHBondContact N-O 2.9Å; C901-Q903 PolarHBondContact O-N 3.05Å; Q903-I905 PolarHBondContact O-N 3.48Å; Q903-W913 HydrophobicContact CB-CD2 4.39Å; Q903-W913 HydrophobicContact CB-CE3 4.08Å; Q903-W913 HydrophobicContact CB-CH2 4.31Å; Q903-W913 HydrophobicContact CB-CZ3 4.04Å; Q903-W913 HydrophobicContact CG-CH2 3.97Å; Q903-W913 HydrophobicContact CG-CZ2 4.5Å; Q903-W913 HydrophobicContact CG-CZ3 3.99Å
904	P	75.6	Confident	69.5	Low	24 Å²	24	58.9 Å²	58.9	16%	0.156	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-52.8	140.6	176.7	-23.6	32.7	0	0	0	111.7	L906 W913 H945	P904-L906 WeakPolarHBondContact CB-O 3.45Å; P904-W913 HydrophobicContact CB-CG 4.37Å; P904-W913 WeakPolarHBondContact O-CB 3.49Å; P904-H945 PolarHBondContact O-NE2 3.03Å; P904-H945 VanDerWaalsContact O-NE2 3.1Å
905	I	74.7	Confident	69.5	Low	4 Å²	4	56.7 Å²	56.7	2%	0.021	32%	0.321	C	S	.	.	S	Bend	trans	-79.5	-32.1	176.2	-64.5	167.2	0	0	0	110.8	I896 C898 Q903 W913 W935 I943	I896-I905 HydrophobicContact CG2-CD1 3.84Å; I896-I905 PolarHBondContact O-N 3.11Å; C898-I905 HydrophobicContact CB-CD1 4.46Å; C898-I905 HydrophobicContact CB-CG1 4.1Å; Q903-I905 PolarHBondContact O-N 3.48Å; I905-W913 PolarHBondContact O-N 3.4Å; I905-W935 HydrophobicContact CG2-CB 4.41Å; I905-W935 HydrophobicContact CG2-CD2 4.18Å; I905-W935 HydrophobicContact CG2-CE3 3.39Å; I905-W935 HydrophobicContact CG2-CZ3 3.92Å; I905-I943 HydrophobicContact CD1-CB 3.49Å; I905-I943 VanDerWaalsContact CD1-CB 3.49Å; I905-I943 HydrophobicContact CD1-CG2 3.29Å
906	L	69.5	Low	69.1	Low	27 Å²	27	54.7 Å²	54.7	14%	0.141	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-118.4	144.1	177.2	-61.2	171.3	0	0	0	110.3	V888 W893 P904 Q911 W935	V888-L906 HydrophobicContact CG1-CD1 4.41Å; W893-L906 HydrophobicContact CB-CB 4.1Å; W893-L906 HydrophobicContact CG-CB 4.35Å; W893-L906 HydrophobicContact CG-CD1 4.5Å; P904-L906 WeakPolarHBondContact CB-O 3.45Å; L906-Q911 CarbonylContact C-O 3.55Å; L906-Q911 WeakPolarHBondContact CA-O 3.4Å; L906-W935 HydrophobicContact CD1-CH2 4.34Å; L906-W935 HydrophobicContact CD1-CZ3 4.46Å; L906-W935 HydrophobicContact CD2-CH2 4.34Å; L906-W935 HydrophobicContact CG-CZ3 4.5Å
907	N	67.9	Low	68.4	Low	22 Å²	22	58 Å²	58	12%	0.118	33%	0.328	C	S	.	.			trans	-83	174.4	167.7	70	11.9	0	0	0	110.8	N909 G910 Q911	N907-N909 PolarHBondContact O-N 3.17Å; N907-N909 WeakPolarHBondContact OD1-CA 3.48Å; N907-N909 PolarHBondContact OD1-N 3.32Å; N907-G910 PolarHBondContact O-N 3.09Å; N907-G910 PolarHBondContact OD1-N 3.06Å; N907-Q911 VanDerWaalsContact CG-O 3.29Å; N907-Q911 PolarHBondContact N-O 2.8Å; N907-Q911 PolarHBondContact OD1-N 3.46Å; N907-Q911 PolarHBondContact OD1-O 3.32Å
908	N	65.4	Low	67.5	Low	127 Å²	127	63.2 Å²	63.2	68%	0.679	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-4.5	179.2	-69.8	-1.1	0	0	0	114.6	W893	W893-N908 VanDerWaalsContact CE3-C 3.44Å; W893-N908 VanDerWaalsContact CE3-O 3.31Å; W893-N908 WeakPolarHBondContact CZ3-O 3.23Å
909	N	60.6	Low	66.1	Low	124 Å²	124	68.2 Å²	68.2	66%	0.663	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	11.7	176.7	-62.6	-2.5	0	0	0	112.2	N907 Q911	N907-N909 PolarHBondContact O-N 3.17Å; N907-N909 WeakPolarHBondContact OD1-CA 3.48Å; N907-N909 PolarHBondContact OD1-N 3.32Å; N909-Q911 VanDerWaalsContact C-N 3.25Å; N909-Q911 PolarHBondContact O-N 2.91Å
910	G	62.7	Low	64.6	Low	34 Å²	34	76.3 Å²	76.3	35%	0.351	41%	0.408	S	S	.	.	S	Bend	trans	72.4	15	178.6	0	0	0	0	0	114.2	W893 N907	W893-G910 VanDerWaalsContact CE3-N 3.27Å; N907-G910 PolarHBondContact O-N 3.09Å; N907-G910 PolarHBondContact OD1-N 3.06Å
911	Q	63.3	Low	62.7	Low	87 Å²	87	77.6 Å²	77.6	41%	0.407	42%	0.419	S	S	.	.	S	Bend	trans	-101.4	158.1	176.4	-58.3	179.2	-8	0	0	110.7	L906 N907 N909 W913	L906-Q911 CarbonylContact C-O 3.55Å; L906-Q911 WeakPolarHBondContact CA-O 3.4Å; N907-Q911 VanDerWaalsContact CG-O 3.29Å; N907-Q911 PolarHBondContact N-O 2.8Å; N907-Q911 PolarHBondContact OD1-N 3.46Å; N907-Q911 PolarHBondContact OD1-O 3.32Å; N909-Q911 VanDerWaalsContact C-N 3.25Å; N909-Q911 PolarHBondContact O-N 2.91Å; Q911-W913 PolarHBondContact O-N 3.07Å
912	S	61.9	Low	60.8	Low	28 Å²	28	83.7 Å²	83.7	20%	0.196	45%	0.45	C	S	.	.	B	Isolated β-bridge	trans	-55.2	127.2	175.9	-177.9	0	0	0	0	111.1	R914 S915	S912-R914 PolarHBondContact O-N 3.28Å; S912-R914 VanDerWaalsContact O-N 3.13Å; S912-S915 PolarHBondContact O-N 3.31Å; S912-S915 VanDerWaalsContact O-N 3.16Å
913	W	62.4	Low	58.7	Low	77 Å²	77	83.4 Å²	83.4	29%	0.292	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-33.4	-174.6	-178	89	0	0	0	113.5	Q903 P904 I905 Q911	Q903-W913 HydrophobicContact CB-CD2 4.39Å; Q903-W913 HydrophobicContact CB-CE3 4.08Å; Q903-W913 HydrophobicContact CB-CH2 4.31Å; Q903-W913 HydrophobicContact CB-CZ3 4.04Å; Q903-W913 HydrophobicContact CG-CH2 3.97Å; Q903-W913 HydrophobicContact CG-CZ2 4.5Å; Q903-W913 HydrophobicContact CG-CZ3 3.99Å; P904-W913 HydrophobicContact CB-CG 4.37Å; P904-W913 WeakPolarHBondContact O-CB 3.49Å; I905-W913 PolarHBondContact O-N 3.4Å; Q911-W913 PolarHBondContact O-N 3.07Å
914	R	59.2	Low	56.7	Low	90 Å²	90	87 Å²	87	34%	0.34	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-30.9	-178.9	-71	-167.2	174.4	-152.7	-1.8	114.2	S912 A916 N917	S912-R914 PolarHBondContact O-N 3.28Å; S912-R914 VanDerWaalsContact O-N 3.13Å; R914-A916 VanDerWaalsContact C-N 3.28Å; R914-A916 PolarHBondContact O-N 3.31Å; R914-N917 PolarHBondContact O-N 3.13Å
915	S	58.1	Low	54.9	Low	30 Å²	30	91.7 Å²	91.7	21%	0.21	51%	0.508	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-25.5	-178.6	-60.1	0	0	0	0	113.6	S912 H932	S912-S915 PolarHBondContact O-N 3.31Å; S912-S915 VanDerWaalsContact O-N 3.16Å; S915-H932 PolarHBondContact OG-ND1 2.94Å
916	A	55.5	Low	53	Low	43 Å²	43	100.3 Å²	100.3	36%	0.355	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-17.7	-179.8	0	0	0	0	0	113.8	R914	R914-A916 VanDerWaalsContact C-N 3.28Å; R914-A916 PolarHBondContact O-N 3.31Å
917	N	54.9	Low	51.2	Low	111 Å²	111	106.1 Å²	106.1	59%	0.594	58%	0.58	S	S	*	*	S	Bend	trans	-104.3	-1.3	-175.3	-78	-17	0	0	0	114.1	R914	R914-N917 PolarHBondContact O-N 3.13Å
918	Q	56	Low	49.7	Very low	140 Å²	140	112.8 Å²	112.8	65%	0.654	62%	0.615	S	S	*	*	S	Bend	trans	-92.2	-4.3	179.4	-105.2	168.5	-8.3	0	0	114.7	K920	Q918-K920 VanDerWaalsContact C-N 3.31Å; Q918-K920 PolarHBondContact O-N 3.28Å
919	S	51	Low	48.1	Very low	106 Å²	106	110.2 Å²	110.2	74%	0.741	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	22.5	-176.3	54.9	0	0	0	0	115.8
920	K	45.9	Very low	47	Very low	202 Å²	202	113.6 Å²	113.6	88%	0.878	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.5	3.7	176.8	-100.4	-176.7	178.9	179.8	0	115.8	Q918	Q918-K920 VanDerWaalsContact C-N 3.31Å; Q918-K920 PolarHBondContact O-N 3.28Å
921	C	37.2	Very low	45.8	Very low	98 Å²	98	119.1 Å²	119.1	66%	0.662	65%	0.653	S	S	*	*	S	Bend	trans	-140	129.5	177.4	-43.4	0	0	0	0	110.4
922	D	39.4	Very low	44.7	Very low	165 Å²	165	121.2 Å²	121.2	88%	0.882	66%	0.662	S	S	*	*			trans	84.5	116	162.2	-54	-26.9	0	0	0	120.6
923	V	35.5	Very low	44.3	Very low	132 Å²	132	128 Å²	128	80%	0.8	68%	0.683	S	S	*	*			trans	-93.5	140.7	174.1	172.6	0	0	0	0	108.2
924	N	33.6	Very low	44.4	Very low	156 Å²	156	128.5 Å²	128.5	83%	0.834	70%	0.699	S	S	*	*			trans	77.3	91.5	169.8	-67.2	-13.3	0	0	0	119.1
925	S	39.2	Very low	45	Very low	123 Å²	123	130.2 Å²	130.2	86%	0.86	71%	0.705	S	S	*	*				-158.9	134.6	116	70.6	0	0	0	0	110.4
926	Q	34.8	Very low	45.9	Very low	184 Å²	184	130.3 Å²	130.3	86%	0.86	71%	0.708	S	S	*	*			trans	-93.7	153.1	173.1	-78.9	178.9	-35.8	0	0	110
927	N	31	Very low	46.9	Very low	150 Å²	150	132.8 Å²	132.8	80%	0.802	71%	0.714	S	S	*	*			trans	91.6	83.8	169.5	-62	-10.8	0	0	0	118.1
928	N	35.7	Very low	47.9	Very low	161 Å²	161	128.9 Å²	128.9	86%	0.861	69%	0.692	S	S	*	*				-177.8	138.6	105.6	-95.7	-13.6	0	0	0	109.7
929	G	32.1	Very low	48.6	Very low	74 Å²	74	127.6 Å²	127.6	76%	0.763	69%	0.686	S	S	*	*			trans	-67.6	161.8	-174.5	0	0	0	0	0	114.3
930	E	37.1	Very low	49.7	Very low	195 Å²	195	124.6 Å²	124.6	91%	0.911	66%	0.664	S	S	*	*			trans	73	50.5	169.4	-56.6	-171	167.3	0	0	117.6
931	N	38.4	Very low	51.1	Low	150 Å²	150	118.7 Å²	118.7	80%	0.802	64%	0.642	S	S	*	*			trans	-117.6	75.3	162.2	-100.6	-14.2	0	0	0	111.1
932	H	40.2	Very low	53	Low	130 Å²	130	117 Å²	117	60%	0.602	62%	0.624	S	S	*	*			trans	-160.8	123.6	158.2	-86.1	-45.6	0	0	0	111.5	S915	S915-H932 PolarHBondContact OG-ND1 2.94Å
933	R	53.2	Low	55	Low	170 Å²	170	109.7 Å²	109.7	64%	0.642	59%	0.585	S	S	*	*			trans	104	69.6	152	-53.7	148.3	-173	-152.2	5.9	118
934	S	64.1	Low	57	Low	88 Å²	88	103.4 Å²	103.4	62%	0.615	55%	0.547	S	S	*	.			trans	-114.7	141	161.9	67.6	0	0	0	0	112.7	G946	S934-G946 WeakPolarHBondContact O-CA 3.31Å; S934-G946 PolarHBondContact O-N 3.28Å
935	W	73.1	Confident	59.2	Low	126 Å²	126	96.3 Å²	96.3	48%	0.477	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	140.9	-179.9	48	-25.6	0	0	0	106.1	I905 L906 I943 C944	I905-W935 HydrophobicContact CG2-CB 4.41Å; I905-W935 HydrophobicContact CG2-CD2 4.18Å; I905-W935 HydrophobicContact CG2-CE3 3.39Å; I905-W935 HydrophobicContact CG2-CZ3 3.92Å; L906-W935 HydrophobicContact CD1-CH2 4.34Å; L906-W935 HydrophobicContact CD1-CZ3 4.46Å; L906-W935 HydrophobicContact CD2-CH2 4.34Å; L906-W935 HydrophobicContact CG-CZ3 4.5Å; W935-I943 HydrophobicContact CE3-CG2 4.23Å; W935-C944 WeakPolarHBondContact CA-O 3.2Å
936	A	75.6	Confident	60.9	Low	32 Å²	32	91.3 Å²	91.3	26%	0.264	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135.7	-175.8	0	0	0	0	0	110.5	I943 C944 L949	A936-I943 CarbonylContact O-C 3.53Å; A936-I943 WeakPolarHBondContact O-CA 3.4Å; A936-I943 WeakPolarHBondContact O-CG2 3.45Å; A936-C944 PolarHBondContact N-O 3.1Å; A936-C944 PolarHBondContact O-N 3.38Å; A936-L949 HydrophobicContact CB-CD1 3.43Å; A936-L949 VanDerWaalsContact CB-CD1 3.43Å
937	I	77.1	Confident	62.7	Low	96 Å²	96	88.2 Å²	88.2	49%	0.492	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.3	176.3	-53.4	177.7	0	0	0	107.9	I886 I943	I886-I937 HydrophobicContact CD1-CG2 3.61Å; I937-I943 HydrophobicContact CG1-CD1 4.43Å; I937-I943 HydrophobicContact CG1-CG1 4.07Å; I937-I943 HydrophobicContact CG1-CG2 3.97Å; I937-I943 HydrophobicContact CG2-CG1 4.31Å
938	F	75.9	Confident	64.8	Low	28 Å²	28	81.9 Å²	81.9	12%	0.123	43%	0.434	C	S	.	.			trans	-89.9	159.1	176.9	-68.4	-85.7	0	0	0	111.4	C940 N941 H942 L949 K955 C956 P957	F938-C940 WeakPolarHBondContact CB-SG 3.3Å; F938-C940 PolarHBondContact O-N 3.32Å; F938-N941 VanDerWaalsContact O-CA 3.32Å; F938-N941 WeakPolarHBondContact O-CA 3.38Å; F938-N941 PolarHBondContact O-N 3.41Å; F938-H942 PolarHBondContact N-O 3.43Å; F938-L949 HydrophobicContact CE2-CD2 4.26Å; F938-L949 HydrophobicContact CZ-CD2 4.09Å; F938-K955 VanDerWaalsContact CE1-O 3.32Å; F938-K955 WeakPolarHBondContact CE1-O 3.1Å; F938-K955 WeakPolarHBondContact CZ-O 3.46Å; F938-C956 HydrophobicContact CB-CB 3.85Å; F938-C956 HydrophobicContact CD1-CB 3.85Å; F938-C956 HydrophobicContact CD2-CB 4.16Å; F938-C956 HydrophobicContact CE1-CB 4.45Å; F938-C956 VanDerWaalsContact CE1-N 3.34Å; F938-C956 HydrophobicContact CG-CB 3.69Å; F938-P957 VanDerWaalsContact CE2-CD 3.44Å; F938-P957 HydrophobicContact CE2-CG 4.41Å
939	H	70.2	Confident	66.6	Low	114 Å²	114	76.2 Å²	76.2	53%	0.528	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-16.8	173.6	-65.1	-49.3	0	0	0	114.5	Q882 M883 N941	Q882-H939 HydrophobicContact CB-CB 4.48Å; M883-H939 WeakPolarHBondContact CE-CE1 3.41Å; H939-N941 PolarHBondContact O-N 3.04Å
940	C	75.4	Confident	67.9	Low	43 Å²	43	77.5 Å²	77.5	29%	0.291	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	0.2	169.1	64.5	0	0	0	0	112.9	F938 H942 C956 C959	F938-C940 WeakPolarHBondContact CB-SG 3.3Å; F938-C940 PolarHBondContact O-N 3.32Å; C940-H942 PolarHBondContact O-N 3.49Å; C940-H942 PolarHBondContact SG-ND1 3.45Å; C940-C956 HydrophobicContact CB-CB 4.15Å; C940-C956 WeakPolarHBondContact CB-SG 3.4Å; C940-C956 WeakPolarHBondContact SG-CB 3.39Å; C940-C956 CovalentContact SG-SG 2.08Å; C940-C956 PolarHBondContact SG-SG 2.85Å; C940-C959 HydrophobicContact CB-CB 4.46Å; C940-C959 WeakPolarHBondContact CB-SG 3.5Å
941	N	73.7	Confident	68.8	Low	77 Å²	77	75.1 Å²	75.1	41%	0.412	39%	0.394	S	S	.	.			trans	62.7	9.5	-171.7	-66	-23.6	0	0	0	116.7	I886 F938 H939	I886-N941 HydrophobicContact CD1-CB 3.58Å; I886-N941 WeakPolarHBondContact CD1-O 3.05Å; I886-N941 HydrophobicContact CG1-CB 4.09Å; F938-N941 VanDerWaalsContact O-CA 3.32Å; F938-N941 WeakPolarHBondContact O-CA 3.38Å; F938-N941 PolarHBondContact O-N 3.41Å; H939-N941 PolarHBondContact O-N 3.04Å
942	H	78.3	Confident	69.6	Low	62 Å²	62	77.4 Å²	77.4	29%	0.287	40%	0.4	S	S	.	.			trans	-76.4	140.4	170	-66.6	104.9	0	0	0	110.9	A899 F938 C940 C956 S958 C959	A899-H942 HydrophobicContact CB-CB 4.13Å; F938-H942 PolarHBondContact N-O 3.43Å; C940-H942 PolarHBondContact O-N 3.49Å; C940-H942 PolarHBondContact SG-ND1 3.45Å; H942-C956 PolarHBondContact ND1-SG 3.16Å; H942-S958 PolarHBondContact CE1-OG 2.75Å; H942-S958 PolarHBondContact NE2-OG 3.18Å; H942-S958 VanDerWaalsContact NE2-OG 3.13Å; H942-C959 PolarHBondContact CE1-SG 3.43Å; H942-C959 PolarHBondContact ND1-SG 2.97Å; H942-C959 VanDerWaalsContact ND1-SG 3.44Å
943	I	80.8	Confident	70.5	Confident	13 Å²	13	77 Å²	77	7%	0.067	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	137.4	-176.5	-45.4	177.4	0	0	0	109.7	I886 I896 C898 A899 I905 W935 A936 I937	I886-I943 HydrophobicContact CD1-CD1 4.13Å; I886-I943 HydrophobicContact CD1-CG1 4.21Å; I896-I943 HydrophobicContact CG2-CD1 3.88Å; C898-I943 WeakPolarHBondContact CA-O 2.89Å; A899-I943 PolarHBondContact N-O 2.86Å; I905-I943 HydrophobicContact CD1-CB 3.49Å; I905-I943 VanDerWaalsContact CD1-CB 3.49Å; I905-I943 HydrophobicContact CD1-CG2 3.29Å; W935-I943 HydrophobicContact CE3-CG2 4.23Å; A936-I943 CarbonylContact O-C 3.53Å; A936-I943 WeakPolarHBondContact O-CA 3.4Å; A936-I943 WeakPolarHBondContact O-CG2 3.45Å; I937-I943 HydrophobicContact CG1-CD1 4.43Å; I937-I943 HydrophobicContact CG1-CG1 4.07Å; I937-I943 HydrophobicContact CG1-CG2 3.97Å; I937-I943 HydrophobicContact CG2-CG1 4.31Å
944	C	78.7	Confident	71	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	148.9	178.3	-57.8	0	0	0	0	111.5	V900 W935 A936 L949	V900-C944 HydrophobicContact CG2-CB 4.45Å; W935-C944 WeakPolarHBondContact CA-O 3.2Å; A936-C944 PolarHBondContact N-O 3.1Å; A936-C944 PolarHBondContact O-N 3.38Å; C944-L949 HydrophobicContact CB-CD1 4.2Å; C944-L949 HydrophobicContact CB-CD2 4.1Å; C944-L949 HydrophobicContact CB-CG 3.99Å
945	H	79	Confident	71.3	Confident	6 Å²	6	78.1 Å²	78.1	3%	0.028	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	142.9	165.2	-55.1	113.2	0	0	0	108.9	C898 C901 P904 D947 C948 L949	C898-H945 WeakPolarHBondContact CB-CE1 3.48Å; C898-H945 WeakPolarHBondContact CB-ND1 3.23Å; C898-H945 PolarHBondContact SG-N 3.37Å; C898-H945 VanDerWaalsContact SG-N 3.43Å; C901-H945 PolarHBondContact SG-CE1 3.33Å; C901-H945 PolarHBondContact SG-ND1 3.21Å; P904-H945 PolarHBondContact O-NE2 3.03Å; P904-H945 VanDerWaalsContact O-NE2 3.1Å; H945-D947 PolarHBondContact O-N 2.84Å; H945-C948 HydrophobicContact CB-CB 4.04Å; H945-C948 PolarHBondContact ND1-SG 2.82Å; H945-C948 WeakPolarHBondContact O-CB 3.32Å; H945-C948 PolarHBondContact O-N 2.94Å; H945-L949 PolarHBondContact O-N 2.61Å
946	G	74.6	Confident	71.4	Confident	19 Å²	19	72.8 Å²	72.8	20%	0.196	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-53.1	-43.1	176.5	0	0	0	0	0	111.7	S934 C948 L949	S934-G946 WeakPolarHBondContact O-CA 3.31Å; S934-G946 PolarHBondContact O-N 3.28Å; G946-C948 VanDerWaalsContact C-N 3.27Å; G946-C948 PolarHBondContact O-N 3.15Å; G946-L949 PolarHBondContact O-N 3.29Å; G946-L949 VanDerWaalsContact O-N 3.16Å
947	D	72.1	Confident	71.2	Confident	118 Å²	118	72.2 Å²	72.2	63%	0.631	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-70.2	-20.1	178.5	-45.3	-27	0	0	0	114.1	H945 L949	H945-D947 PolarHBondContact O-N 2.84Å; D947-L949 VanDerWaalsContact C-N 3.26Å
948	C	74.8	Confident	71	Confident	18 Å²	18	69.9 Å²	69.9	12%	0.122	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-82.1	-8.3	176.6	-72	0	0	0	0	112.2	V900 C901 H945 G946	V900-C948 HydrophobicContact CB-CB 3.97Å; V900-C948 HydrophobicContact CG1-CB 4.2Å; V900-C948 HydrophobicContact CG2-CB 4.39Å; C901-C948 VanDerWaalsContact SG-SG 3.6Å; H945-C948 HydrophobicContact CB-CB 4.04Å; H945-C948 PolarHBondContact ND1-SG 2.82Å; H945-C948 WeakPolarHBondContact O-CB 3.32Å; H945-C948 PolarHBondContact O-N 2.94Å; G946-C948 VanDerWaalsContact C-N 3.27Å; G946-C948 PolarHBondContact O-N 3.15Å
949	L	73.6	Confident	70.8	Confident	41 Å²	41	70.5 Å²	70.5	22%	0.215	38%	0.383	C	S	.	.	S	Bend	trans	-96	90	171.2	-66	170.7	0	0	0	107.6	A936 F938 C944 H945 G946 D947 N951 P957	A936-L949 HydrophobicContact CB-CD1 3.43Å; A936-L949 VanDerWaalsContact CB-CD1 3.43Å; F938-L949 HydrophobicContact CE2-CD2 4.26Å; F938-L949 HydrophobicContact CZ-CD2 4.09Å; C944-L949 HydrophobicContact CB-CD1 4.2Å; C944-L949 HydrophobicContact CB-CD2 4.1Å; C944-L949 HydrophobicContact CB-CG 3.99Å; H945-L949 PolarHBondContact O-N 2.61Å; G946-L949 PolarHBondContact O-N 3.29Å; G946-L949 VanDerWaalsContact O-N 3.16Å; D947-L949 VanDerWaalsContact C-N 3.26Å; L949-N951 PolarHBondContact O-N 2.9Å; L949-P957 HydrophobicContact CD2-CG 4.3Å
950	S	59.2	Low	70.8	Confident	101 Å²	101	67.1 Å²	67.1	71%	0.706	37%	0.372	S	S	*	.			trans	-68.4	100.3	172.3	52.1	0	0	0	0	109.2
951	N	56.5	Low	70.1	Confident	146 Å²	146	73 Å²	73	78%	0.781	39%	0.393	S	S	*	.	S	Bend	trans	65	108.6	177	-58.7	-20.2	0	0	0	115.5	L949 E953	L949-N951 PolarHBondContact O-N 2.9Å; N951-E953 VanDerWaalsContact C-N 3.27Å; N951-E953 PolarHBondContact O-N 3.1Å
952	E	55.2	Low	69.2	Low	198 Å²	198	73.1 Å²	73.1	93%	0.925	40%	0.4	S	S	*	.			trans	23.2	38.1	158.2	-59.1	-165.1	162.8	0	0	120.9	T954	E952-T954 PolarHBondContact O-N 2.98Å
953	E	60.1	Low	67.9	Low	122 Å²	122	80.8 Å²	80.8	57%	0.57	43%	0.426	S	S	*	.			trans	-75.7	111.7	174.2	-73.5	-166.9	162.9	0	0	111	N951 K955	N951-E953 VanDerWaalsContact C-N 3.27Å; N951-E953 PolarHBondContact O-N 3.1Å; E953-K955 PolarHBondContact O-N 3.29Å; E953-K955 VanDerWaalsContact O-N 3.14Å
954	T	63.2	Low	66.1	Low	134 Å²	134	87.4 Å²	87.4	82%	0.822	46%	0.46	S	S	*	.			trans	-69.6	-1.6	175.7	53	0	0	0	0	114.1	E952	E952-T954 PolarHBondContact O-N 2.98Å
955	K	70.6	Confident	64	Low	147 Å²	147	97.7 Å²	97.7	64%	0.639	51%	0.513	S	S	*	.	S	Bend	trans	-112.8	139.2	-176.3	-66.4	-179.9	-175.9	173	0	111.3	F938 E953 P957	F938-K955 VanDerWaalsContact CE1-O 3.32Å; F938-K955 WeakPolarHBondContact CE1-O 3.1Å; F938-K955 WeakPolarHBondContact CZ-O 3.46Å; E953-K955 PolarHBondContact O-N 3.29Å; E953-K955 VanDerWaalsContact O-N 3.14Å; K955-P957 VanDerWaalsContact O-CD 3.3Å; K955-P957 WeakPolarHBondContact O-CD 3.28Å
956	C	74	Confident	63.2	Low	14 Å²	14	102.3 Å²	102.3	10%	0.095	54%	0.537	C	S	.	.			trans	-58.6	114	175.7	178.7	0	0	0	0	110.2	F938 C940 H942 S958 C959 S960	F938-C956 HydrophobicContact CB-CB 3.85Å; F938-C956 HydrophobicContact CD1-CB 3.85Å; F938-C956 HydrophobicContact CD2-CB 4.16Å; F938-C956 HydrophobicContact CE1-CB 4.45Å; F938-C956 VanDerWaalsContact CE1-N 3.34Å; F938-C956 HydrophobicContact CG-CB 3.69Å; C940-C956 HydrophobicContact CB-CB 4.15Å; C940-C956 WeakPolarHBondContact CB-SG 3.4Å; C940-C956 WeakPolarHBondContact SG-CB 3.39Å; C940-C956 CovalentContact SG-SG 2.08Å; C940-C956 PolarHBondContact SG-SG 2.85Å; H942-C956 PolarHBondContact ND1-SG 3.16Å; C956-S958 PolarHBondContact O-N 3.26Å; C956-C959 HydrophobicContact CB-CB 4.08Å; C956-C959 PolarHBondContact O-N 2.91Å; C956-C959 PolarHBondContact SG-SG 2.58Å; C956-S960 VanDerWaalsContact O-CB 3.3Å; C956-S960 WeakPolarHBondContact O-CB 3.44Å; C956-S960 PolarHBondContact O-N 2.88Å; C956-S960 PolarHBondContact O-OG 2.67Å
957	P	72.2	Confident	62.6	Low	20 Å²	20	106.6 Å²	106.6	13%	0.13	56%	0.555	C	S	.	*	H	α-helix	trans	-66.2	-25.1	-174.4	21.3	-30.2	0	0	0	113.2	V900 F938 L949 K955 S960 K961	V900-P957 HydrophobicContact CG2-CB 4.42Å; V900-P957 HydrophobicContact CG2-CG 3.86Å; F938-P957 VanDerWaalsContact CE2-CD 3.44Å; F938-P957 HydrophobicContact CE2-CG 4.41Å; L949-P957 HydrophobicContact CD2-CG 4.3Å; K955-P957 VanDerWaalsContact O-CD 3.3Å; K955-P957 WeakPolarHBondContact O-CD 3.28Å; P957-S960 WeakPolarHBondContact CA-OG 3.27Å; P957-S960 PolarHBondContact O-OG 3.37Å; P957-K961 WeakPolarHBondContact O-CG 3.49Å
958	S	72.1	Confident	62.1	Low	46 Å²	46	106 Å²	106	32%	0.322	55%	0.551	S	S	.	*	H	α-helix	trans	-72.7	-49.9	173.6	-174.3	0	0	0	0	111.9	H942 C956	H942-S958 PolarHBondContact CE1-OG 2.75Å; H942-S958 PolarHBondContact NE2-OG 3.18Å; H942-S958 VanDerWaalsContact NE2-OG 3.13Å; C956-S958 PolarHBondContact O-N 3.26Å
959	C	71.5	Confident	61.3	Low	42 Å²	42	111.2 Å²	111.2	28%	0.284	58%	0.576	S	S	.	*	H	α-helix	trans	-79.2	-22.6	-177.8	-64.8	0	0	0	0	114.5	C940 H942 C956 S962	C940-C959 HydrophobicContact CB-CB 4.46Å; C940-C959 WeakPolarHBondContact CB-SG 3.5Å; H942-C959 PolarHBondContact CE1-SG 3.43Å; H942-C959 PolarHBondContact ND1-SG 2.97Å; H942-C959 VanDerWaalsContact ND1-SG 3.44Å; C956-C959 HydrophobicContact CB-CB 4.08Å; C956-C959 PolarHBondContact O-N 2.91Å; C956-C959 PolarHBondContact SG-SG 2.58Å; C959-S962 PolarHBondContact O-OG 2.72Å
960	S	70.1	Confident	60.6	Low	42 Å²	42	115.6 Å²	115.6	29%	0.294	60%	0.599	S	S	.	*	H	α-helix	trans	-73	-36.2	175.7	51.2	0	0	0	0	111.4	C956 P957 S962 R963	C956-S960 VanDerWaalsContact O-CB 3.3Å; C956-S960 WeakPolarHBondContact O-CB 3.44Å; C956-S960 PolarHBondContact O-N 2.88Å; C956-S960 PolarHBondContact O-OG 2.67Å; P957-S960 WeakPolarHBondContact CA-OG 3.27Å; P957-S960 PolarHBondContact O-OG 3.37Å; S960-S962 VanDerWaalsContact C-N 3.31Å; S960-S962 PolarHBondContact O-N 3.41Å; S960-R963 PolarHBondContact O-N 2.95Å
961	K	62.5	Low	60.7	Low	167 Å²	167	116.5 Å²	116.5	73%	0.726	59%	0.591	S	S	*	*	H	α-helix	trans	-64.7	-32.9	172	-75.4	-178.6	178.9	-179.2	0	112.9	P957 R963	P957-K961 WeakPolarHBondContact O-CG 3.49Å; K961-R963 VanDerWaalsContact C-N 3.29Å; K961-R963 PolarHBondContact O-N 2.69Å
962	S	54.7	Low	61	Low	80 Å²	80	114.4 Å²	114.4	56%	0.559	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-3.4	179.1	71.2	0	0	0	0	114.8	C959 S960	C959-S962 PolarHBondContact O-OG 2.72Å; S960-S962 VanDerWaalsContact C-N 3.31Å; S960-S962 PolarHBondContact O-N 3.41Å
963	R	50.1	Low	61.4	Low	222 Å²	222	108 Å²	108	84%	0.838	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	4	177.3	-85.1	-172.5	176.9	-173.9	-0.2	114.1	S960 K961	S960-R963 PolarHBondContact O-N 2.95Å; K961-R963 VanDerWaalsContact C-N 3.29Å; K961-R963 PolarHBondContact O-N 2.69Å
964	I	42.9	Very low	61.5	Low	152 Å²	152	106.8 Å²	106.8	78%	0.779	55%	0.55	S	S	*	.			trans	-102.9	23.5	176.8	-52.7	175.3	0	0	0	110.8
965	I	34.2	Very low	61.4	Low	216 Å²	216	104.4 Å²	104.4	100%	1.108	53%	0.525	S	S	*	.			trans	-120.1	0	171.1	-56	178.1	0	0	0	109

Retrieved 965 of 965 residues in 302.3 ms (Link to these results)

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