A0A5K4ERP1_SCHMA Loading...

Putative sodium/calcium exchanger

AlphaFold DB , UniProt , Accession A0A5K4ERP1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 909 aa.

						>A0A5K4ERP1_SCHMA|A0A5K4ERP1
MIKYIFFFTVCSIISKPLAAEKLVNGTCPSSQRTFCYDGIIVPMWRPSTGITTGDKAARAIVYFSALMYLFLGVSIIADRFMAAIEVITSQEKEVTLRKKNGETQTISVRIWNETVSNLTLMALGSSAPEILLSVIEIIGKNFEAGDLGPGTIVGSAAFNLFVIIGVCIVVVPDGQVRRIKHLSVFFITSSWSLFAYLWMYLIIAVFTPGVVEVWEALLTFIFFPIIVICAYLADTKIFFKKFLKKKYRATALMKAANGDLELTNHTEEVTYAPTDGESLAEESEFDRHRMDYVEAIKEIRKRNPNIGMKELEELAQMEVLNKGPKSRAYYRMQATRQLTGSGNVIKKAKVERRMSFDDNRLTTETYPPHVQRFFFNPGHYTVMENVGTFPVTVTRVGGDMHAVVSVEYFTLDGTAVAGEDYEPVKGLLLFSAGETHKQIMISIIDDDIFEEDEHFTVHLRNLEVKHSSTKIEPVLVDPMVATIMVLDDDHSGVFQFDVVDLTVSESCEYAEIKVQRVSGCRGVVRLPYQTVEGTAKGGGKDFEDMVGYIEFQNDQTEGTIRIRVMDDNNYEKSEYFYVQLGEPVLIDKDVPSHLFARIAQRSDSLISGNSSMKRRNSRTPSTKDGNLNPRKSLGFVETGQPRLGQQTRIKITITESTEFKNTVDRLVKQGTLALVVGTSSWKEQFIEAITVSAGGDVDDDEGEKLPTCMDYVMHFLTVFWKVLFAFVPPTDYGGGWFCFTVCILVIGVLTAVIGDVASSFGCSIGLTDAVTAITFVALGTSLPDTFASKVAAVGDQYADSSIGNVTGSNAVNVFLGIGLGWSIAAIYHAIKGTQFLVQPGSLGFSVTTYCIFALVAIFLILYRRKKSIGGELGGPKVAKYISASFLFFLWFVYILLAGLENYCIIEGF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.9	Very low	47.4	Very low	186 Å²	186	122.7 Å²	122.7	92%	0.916	58%	0.584	S	S	*	*				0	-56.4	0	-144.9	176.3	-85.2	0	0	112.1	K3 Y4 I5	M1-K3 PolarHBondContact O-N 2.89Å; M1-Y4 PolarHBondContact O-N 3.42Å; M1-Y4 VanDerWaalsContact O-N 3.14Å; M1-I5 HydrophobicContact CG-CD1 4.35Å; M1-I5 WeakPolarHBondContact O-CG1 3.22Å; M1-I5 PolarHBondContact O-N 3.47Å
2	I	47.9	Very low	46.9	Very low	148 Å²	148	117.8 Å²	117.8	76%	0.759	57%	0.572	S	S	*	*	H	α-helix	trans	-58.3	-38.7	176.6	-67	166.6	0	0	0	113.6	Y4 I5 F6	I2-Y4 PolarHBondContact O-N 3.17Å; I2-I5 PolarHBondContact O-N 2.87Å; I2-F6 WeakPolarHBondContact O-CB 3.49Å; I2-F6 PolarHBondContact O-N 3.01Å
3	K	44.1	Very low	46.4	Very low	184 Å²	184	118.4 Å²	118.4	80%	0.8	58%	0.577	S	S	*	*	H	α-helix	trans	-63.3	-36.1	175.3	-73.5	-174.6	175.5	-177.4	0	113.9	M1 F7	M1-K3 PolarHBondContact O-N 2.89Å; K3-F7 PolarHBondContact O-N 3.22Å; K3-F7 VanDerWaalsContact O-N 3.17Å
4	Y	56	Low	46	Very low	183 Å²	183	116.6 Å²	116.6	72%	0.718	57%	0.57	S	S	*	*	H	α-helix	trans	-77.8	-37.1	179	-71.9	-74.8	0	0	0	111.7	M1 I2 F7 F8	M1-Y4 PolarHBondContact O-N 3.42Å; M1-Y4 VanDerWaalsContact O-N 3.14Å; I2-Y4 PolarHBondContact O-N 3.17Å; Y4-F7 PolarHBondContact O-N 2.8Å; Y4-F8 WeakPolarHBondContact O-CB 3.17Å; Y4-F8 PolarHBondContact O-N 2.9Å
5	I	50.7	Low	45.3	Very low	101 Å²	101	114.2 Å²	114.2	52%	0.518	57%	0.57	S	S	.	*	H	α-helix	trans	-63.1	-45.5	173.1	-65.4	167	0	0	0	109.4	M1 I2 F7 F8 T9	M1-I5 HydrophobicContact CG-CD1 4.35Å; M1-I5 WeakPolarHBondContact O-CG1 3.22Å; M1-I5 PolarHBondContact O-N 3.47Å; I2-I5 PolarHBondContact O-N 2.87Å; I5-F7 PolarHBondContact O-N 3.38Å; I5-F8 PolarHBondContact O-N 3.04Å; I5-T9 WeakPolarHBondContact O-CB 3.25Å; I5-T9 PolarHBondContact O-N 2.68Å; I5-T9 PolarHBondContact O-OG1 3.36Å
6	F	51.8	Low	44.2	Very low	129 Å²	129	116.8 Å²	116.8	57%	0.566	58%	0.577	S	S	*	*	H	α-helix	trans	-61.2	-45	178.6	-165	-98.7	0	0	0	112.3	I2 T9 V10	I2-F6 WeakPolarHBondContact O-CB 3.49Å; I2-F6 PolarHBondContact O-N 3.01Å; F6-T9 PolarHBondContact O-N 3.15Å; F6-V10 HydrophobicContact CD1-CG2 4.2Å; F6-V10 HydrophobicContact CE1-CG2 3.98Å; F6-V10 HydrophobicContact CZ-CG2 4.32Å; F6-V10 VanDerWaalsContact O-CG2 3.32Å; F6-V10 WeakPolarHBondContact O-CG2 3.38Å; F6-V10 PolarHBondContact O-N 3.49Å
7	F	53.7	Low	43.5	Very low	109 Å²	109	117.6 Å²	117.6	48%	0.478	59%	0.593	S	S	.	*	H	α-helix	trans	-62.3	-44.2	176.3	-164.9	-97.1	0	0	0	112.4	K3 Y4 I5 T9 V10 C11	K3-F7 PolarHBondContact O-N 3.22Å; K3-F7 VanDerWaalsContact O-N 3.17Å; Y4-F7 PolarHBondContact O-N 2.8Å; I5-F7 PolarHBondContact O-N 3.38Å; F7-T9 VanDerWaalsContact C-N 3.34Å; F7-T9 PolarHBondContact O-N 2.65Å; F7-V10 PolarHBondContact O-N 2.89Å; F7-C11 WeakPolarHBondContact O-CB 3.43Å; F7-C11 PolarHBondContact O-N 2.99Å; F7-C11 PolarHBondContact O-SG 3.13Å
8	F	46.5	Very low	42.8	Very low	148 Å²	148	119.8 Å²	119.8	65%	0.649	61%	0.605	S	S	*	*	H	α-helix	trans	-66.9	-34.1	175.7	-106	-85.8	0	0	0	113.1	Y4 I5 S12	Y4-F8 WeakPolarHBondContact O-CB 3.17Å; Y4-F8 PolarHBondContact O-N 2.9Å; I5-F8 PolarHBondContact O-N 3.04Å; F8-S12 WeakPolarHBondContact O-CB 3.4Å; F8-S12 PolarHBondContact O-N 3.14Å; F8-S12 PolarHBondContact O-OG 2.96Å
9	T	44.1	Very low	42	Very low	68 Å²	68	118.8 Å²	118.8	42%	0.417	62%	0.618	S	S	.	*	H	α-helix	trans	-70.5	-43.3	179.4	-44.4	0	0	0	0	109.9	I5 F6 F7 S12 I13	I5-T9 WeakPolarHBondContact O-CB 3.25Å; I5-T9 PolarHBondContact O-N 2.68Å; I5-T9 PolarHBondContact O-OG1 3.36Å; F6-T9 PolarHBondContact O-N 3.15Å; F7-T9 VanDerWaalsContact C-N 3.34Å; F7-T9 PolarHBondContact O-N 2.65Å; T9-S12 PolarHBondContact O-N 3.01Å; T9-I13 HydrophobicContact CG2-CD1 3.95Å; T9-I13 WeakPolarHBondContact O-CB 3.43Å; T9-I13 WeakPolarHBondContact O-CD1 3.48Å; T9-I13 WeakPolarHBondContact O-CG1 3.36Å; T9-I13 PolarHBondContact O-N 2.98Å
10	V	47.8	Very low	41.6	Very low	51 Å²	51	117.7 Å²	117.7	31%	0.309	63%	0.627	S	S	.	*	H	α-helix	trans	-63.6	-48.4	175.3	174.2	0	0	0	0	110.7	F6 F7 S12 I13 I14	F6-V10 HydrophobicContact CD1-CG2 4.2Å; F6-V10 HydrophobicContact CE1-CG2 3.98Å; F6-V10 HydrophobicContact CZ-CG2 4.32Å; F6-V10 VanDerWaalsContact O-CG2 3.32Å; F6-V10 WeakPolarHBondContact O-CG2 3.38Å; F6-V10 PolarHBondContact O-N 3.49Å; F7-V10 PolarHBondContact O-N 2.89Å; V10-S12 VanDerWaalsContact C-N 3.31Å; V10-S12 PolarHBondContact O-N 2.88Å; V10-I13 PolarHBondContact O-N 3.13Å; V10-I14 HydrophobicContact CG1-CD1 3.74Å; V10-I14 WeakPolarHBondContact O-CD1 3.3Å; V10-I14 VanDerWaalsContact O-CG1 3.25Å; V10-I14 WeakPolarHBondContact O-CG1 3.36Å; V10-I14 PolarHBondContact O-N 2.87Å
11	C	42.7	Very low	41	Very low	43 Å²	43	119.8 Å²	119.8	29%	0.291	63%	0.633	S	S	.	*	H	α-helix	trans	-63.6	-34.9	176.6	-71.7	0	0	0	0	112.9	F7 S15	F7-C11 WeakPolarHBondContact O-CB 3.43Å; F7-C11 PolarHBondContact O-N 2.99Å; F7-C11 PolarHBondContact O-SG 3.13Å; C11-S15 WeakPolarHBondContact O-CB 3.3Å; C11-S15 PolarHBondContact O-N 2.72Å; C11-S15 PolarHBondContact O-OG 2.94Å
12	S	41.2	Very low	40.8	Very low	63 Å²	63	118.8 Å²	118.8	44%	0.441	62%	0.623	S	S	.	*	H	α-helix	trans	-75.9	-31.2	178.8	-63.7	0	0	0	0	113.4	F8 T9 V10	F8-S12 WeakPolarHBondContact O-CB 3.4Å; F8-S12 PolarHBondContact O-N 3.14Å; F8-S12 PolarHBondContact O-OG 2.96Å; T9-S12 PolarHBondContact O-N 3.01Å; V10-S12 VanDerWaalsContact C-N 3.31Å; V10-S12 PolarHBondContact O-N 2.88Å
13	I	41.2	Very low	40.3	Very low	126 Å²	126	117 Å²	117	65%	0.646	61%	0.614	S	S	*	*	H	α-helix	trans	-69.2	-40	172.9	-69.2	164.9	0	0	0	109.7	T9 V10	T9-I13 HydrophobicContact CG2-CD1 3.95Å; T9-I13 WeakPolarHBondContact O-CB 3.43Å; T9-I13 WeakPolarHBondContact O-CD1 3.48Å; T9-I13 WeakPolarHBondContact O-CG1 3.36Å; T9-I13 PolarHBondContact O-N 2.98Å; V10-I13 PolarHBondContact O-N 3.13Å
14	I	40.8	Very low	40.4	Very low	93 Å²	93	114.9 Å²	114.9	48%	0.477	62%	0.617	S	S	.	*	H	α-helix	trans	-72.5	-31.6	178.1	-62.3	166.1	0	0	0	111.7	V10	V10-I14 HydrophobicContact CG1-CD1 3.74Å; V10-I14 WeakPolarHBondContact O-CD1 3.3Å; V10-I14 VanDerWaalsContact O-CG1 3.25Å; V10-I14 WeakPolarHBondContact O-CG1 3.36Å; V10-I14 PolarHBondContact O-N 2.87Å
15	S	34.8	Very low	39.9	Very low	81 Å²	81	113.5 Å²	113.5	57%	0.566	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-2.4	-174.6	-60.3	0	0	0	0	115.7	C11	C11-S15 WeakPolarHBondContact O-CB 3.3Å; C11-S15 PolarHBondContact O-N 2.72Å; C11-S15 PolarHBondContact O-OG 2.94Å
16	K	28	Very low	39.8	Very low	155 Å²	155	112 Å²	112	67%	0.674	63%	0.632	S	S	*	*	S	Bend	trans	-87.5	124.2	174.3	-83.7	-170.4	176.8	-177.2	0	110.1	L18	K16-L18 VanDerWaalsContact C-N 3.25Å; K16-L18 PolarHBondContact O-N 3.33Å
17	P	32.8	Very low	39.7	Very low	132 Å²	132	110 Å²	110	86%	0.857	63%	0.63	S	S	*	*			trans	-73.8	86.2	169.5	31.1	-30	0	0	0	107.6
18	L	31.3	Very low	39.9	Very low	156 Å²	156	106.1 Å²	106.1	82%	0.817	62%	0.616	S	S	*	*			trans	-82.6	128.9	168.9	-136.3	82.4	0	0	0	107.9	K16 A20	K16-L18 VanDerWaalsContact C-N 3.25Å; K16-L18 PolarHBondContact O-N 3.33Å; L18-A20 PolarHBondContact O-N 3.09Å
19	A	26.7	Very low	40.3	Very low	102 Å²	102	102.8 Å²	102.8	84%	0.843	61%	0.609	S	S	*	*			trans	-41.2	123.8	-167.8	0	0	0	0	0	114.6
20	A	33.7	Very low	40.8	Very low	96 Å²	96	100.2 Å²	100.2	79%	0.793	59%	0.594	S	S	*	*			trans	-70.6	123.9	174.1	0	0	0	0	0	110.8	L18	L18-A20 PolarHBondContact O-N 3.09Å
21	E	29.1	Very low	40.8	Very low	161 Å²	161	100.7 Å²	100.7	75%	0.752	60%	0.6	S	S	*	*			trans	-94.7	108.7	157.8	-107.2	-163.8	134.3	0	0	110.2
22	K	31.7	Very low	41.1	Very low	166 Å²	166	104.4 Å²	104.4	72%	0.722	61%	0.613	S	S	*	*			trans	60.5	95.8	141.9	-64	170.4	-175.9	144.6	0	119.8
23	L	36.9	Very low	41.6	Very low	109 Å²	109	105.1 Å²	105.1	57%	0.571	61%	0.606	S	S	*	*			trans	-121.2	150.8	134.2	-101.4	157.4	0	0	0	108.7	N25 G26	L23-N25 PolarHBondContact O-N 3.32Å; L23-G26 PolarHBondContact O-N 3.5Å
24	V	47.3	Very low	42.3	Very low	141 Å²	141	101.6 Å²	101.6	86%	0.855	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	-11.4	-155	176.1	0	0	0	0	116.7
25	N	44.7	Very low	43.2	Very low	153 Å²	153	103.9 Å²	103.9	82%	0.818	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.8	19.5	171.7	-81.4	-18.2	0	0	0	114.7	L23 T27	L23-N25 PolarHBondContact O-N 3.32Å; N25-T27 PolarHBondContact O-N 3.03Å
26	G	48.8	Very low	44.7	Very low	70 Å²	70	102.3 Å²	102.3	72%	0.722	59%	0.586	S	S	*	*	S	Bend	trans	73	-7.9	165.6	0	0	0	0	0	117.5	L23	L23-G26 PolarHBondContact O-N 3.5Å
27	T	50.8	Low	46.9	Very low	88 Å²	88	100.9 Å²	100.9	54%	0.54	58%	0.577	S	S	.	*	S	Bend	trans	-118.5	121.9	173.9	53.3	0	0	0	0	110.5	N25	N25-T27 PolarHBondContact O-N 3.03Å
28	C	57.1	Low	48.9	Very low	27 Å²	27	98.6 Å²	98.6	18%	0.182	56%	0.557	C	S	.	*			trans	-58.6	133.5	168.4	177.3	0	0	0	0	108.8	S30 S31 C904	C28-S30 PolarHBondContact O-N 3.08Å; C28-S30 PolarHBondContact SG-OG 2.89Å; C28-S31 WeakPolarHBondContact O-CB 3.17Å; C28-S31 PolarHBondContact O-N 3.42Å; C28-S31 PolarHBondContact O-OG 3.28Å; C28-S31 VanDerWaalsContact O-OG 3.07Å; C28-C904 HydrophobicContact CB-CB 3.7Å; C28-C904 WeakPolarHBondContact CB-SG 3.22Å; C28-C904 WeakPolarHBondContact SG-CB 3.5Å; C28-C904 CovalentContact SG-SG 2.02Å; C28-C904 PolarHBondContact SG-SG 2.95Å
29	P	54.8	Low	51.2	Low	77 Å²	77	92.2 Å²	92.2	50%	0.5	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-23.5	179	19.4	-30.9	0	0	0	113	S31 Q32 R33	P29-S31 VanDerWaalsContact C-N 3.28Å; P29-S31 PolarHBondContact O-N 3.49Å; P29-Q32 WeakPolarHBondContact O-CB 3.26Å; P29-Q32 PolarHBondContact O-N 2.9Å; P29-Q32 VanDerWaalsContact O-N 3.13Å; P29-R33 PolarHBondContact O-N 3.22Å
30	S	54.1	Low	53.7	Low	14 Å²	14	91.7 Å²	91.7	10%	0.098	51%	0.511	C	S	.	.	H	α-helix	trans	-70.1	-19.4	174.4	69.8	0	0	0	0	114.3	C28 Q32 R33 T34 N902	C28-S30 PolarHBondContact O-N 3.08Å; C28-S30 PolarHBondContact SG-OG 2.89Å; S30-Q32 PolarHBondContact O-N 3.09Å; S30-R33 WeakPolarHBondContact O-CA 3.17Å; S30-R33 PolarHBondContact O-N 2.83Å; S30-T34 PolarHBondContact O-N 3.03Å; S30-N902 WeakPolarHBondContact CB-O 3.28Å; S30-N902 PolarHBondContact OG-O 3.31Å
31	S	48.3	Very low	56.1	Low	61 Å²	61	91.3 Å²	91.3	43%	0.427	50%	0.495	S	S	.	.	H	α-helix	trans	-69.1	-19.7	170.7	84.9	0	0	0	0	112.4	C28 P29 T34	C28-S31 WeakPolarHBondContact O-CB 3.17Å; C28-S31 PolarHBondContact O-N 3.42Å; C28-S31 PolarHBondContact O-OG 3.28Å; C28-S31 VanDerWaalsContact O-OG 3.07Å; P29-S31 VanDerWaalsContact C-N 3.28Å; P29-S31 PolarHBondContact O-N 3.49Å; S31-T34 PolarHBondContact O-OG1 2.84Å
32	Q	48.3	Very low	58.8	Low	121 Å²	121	85.8 Å²	85.8	57%	0.565	47%	0.472	S	S	*	.	H	α-helix	trans	-82.9	-26.9	166.5	-64.7	-177.6	-11.2	0	0	111.2	P29 S30 T34 F35	P29-Q32 WeakPolarHBondContact O-CB 3.26Å; P29-Q32 PolarHBondContact O-N 2.9Å; P29-Q32 VanDerWaalsContact O-N 3.13Å; S30-Q32 PolarHBondContact O-N 3.09Å; Q32-T34 VanDerWaalsContact C-N 3.27Å; Q32-T34 PolarHBondContact O-N 3.25Å; Q32-F35 HydrophobicContact CB-CE2 4.23Å; Q32-F35 WeakPolarHBondContact O-CD2 3.35Å; Q32-F35 PolarHBondContact O-N 2.98Å
33	R	53	Low	61.2	Low	79 Å²	79	82.4 Å²	82.4	30%	0.298	47%	0.467	S	S	.	.	H	α-helix	trans	-77	-7.5	177.1	-62.2	-171.3	-173.5	-171.5	6.1	114.6	P29 S30 F35 D147	P29-R33 PolarHBondContact O-N 3.22Å; S30-R33 WeakPolarHBondContact O-CA 3.17Å; S30-R33 PolarHBondContact O-N 2.83Å; R33-F35 PolarHBondContact O-N 3.45Å; R33-D147 IonicContact CZ-OD2 3.78Å; R33-D147 IonicContact NH1-OD1 3.55Å; R33-D147 IonicContact NH1-OD2 2.68Å; R33-D147 PolarHBondContact NH1-OD2 2.84Å
34	T	55.2	Low	63.3	Low	52 Å²	52	78.3 Å²	78.3	32%	0.319	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	6.6	169.1	42.8	0	0	0	0	113.7	S30 S31 Q32 C36 T768	S30-T34 PolarHBondContact O-N 3.03Å; S31-T34 PolarHBondContact O-OG1 2.84Å; Q32-T34 VanDerWaalsContact C-N 3.27Å; Q32-T34 PolarHBondContact O-N 3.25Å; T34-C36 PolarHBondContact O-N 3.47Å; T34-T768 HydrophobicContact CG2-CG2 4.32Å
35	F	59.2	Low	65	Low	140 Å²	140	77.5 Å²	77.5	61%	0.614	43%	0.427	S	S	*	.			trans	-64.9	110.6	171.3	-75.7	-58.1	0	0	0	110.1	Q32 R33 Y37	Q32-F35 HydrophobicContact CB-CE2 4.23Å; Q32-F35 WeakPolarHBondContact O-CD2 3.35Å; Q32-F35 PolarHBondContact O-N 2.98Å; R33-F35 PolarHBondContact O-N 3.45Å; F35-Y37 VanDerWaalsContact O-CD2 3.23Å; F35-Y37 WeakPolarHBondContact O-CD2 3.45Å; F35-Y37 WeakPolarHBondContact O-CE2 3.1Å; F35-Y37 PolarHBondContact O-N 3.1Å
36	C	67.9	Low	66.6	Low	49 Å²	49	78.7 Å²	78.7	33%	0.331	42%	0.42	S	S	.	.			trans	-49.2	114.7	167.1	-91.5	0	0	0	0	111.8	T34 M44 C763	T34-C36 PolarHBondContact O-N 3.47Å; C36-M44 HydrophobicContact CB-CE 3.33Å; C36-M44 HydrophobicContact CB-SD 3.41Å; C36-M44 WeakPolarHBondContact CB-SD 3.47Å; C36-M44 WeakPolarHBondContact SG-CE 3.45Å; C36-M44 PolarHBondContact SG-SD 3.13Å; C36-C763 WeakPolarHBondContact CA-SG 3.38Å; C36-C763 HydrophobicContact CB-CB 4.22Å; C36-C763 WeakPolarHBondContact CB-SG 3.37Å; C36-C763 WeakPolarHBondContact SG-CB 3.26Å; C36-C763 CovalentContact SG-SG 2.01Å; C36-C763 PolarHBondContact SG-SG 3Å
37	Y	72.2	Confident	68	Low	125 Å²	125	79.2 Å²	79.2	49%	0.49	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-94.5	147.6	168.8	-56.1	-77.2	0	0	0	110.7	F35 M44	F35-Y37 VanDerWaalsContact O-CD2 3.23Å; F35-Y37 WeakPolarHBondContact O-CD2 3.45Å; F35-Y37 WeakPolarHBondContact O-CE2 3.1Å; F35-Y37 PolarHBondContact O-N 3.1Å; Y37-M44 WeakPolarHBondContact O-CE 3.25Å
38	D	76.5	Confident	68.7	Low	84 Å²	84	78 Å²	78	45%	0.449	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-67.1	137.8	166.1	-85.2	-40	0	0	0	108.8	M44 R46	D38-M44 VanDerWaalsContact OD1-CB 3.22Å; D38-M44 WeakPolarHBondContact OD1-CB 3.44Å; D38-M44 PolarHBondContact OD1-N 2.7Å; D38-M44 VanDerWaalsContact OD1-N 3.13Å; D38-R46 IonicContact OD2-CZ 3.8Å; D38-R46 IonicContact OD2-NH2 2.86Å; D38-R46 PolarHBondContact OD2-NH2 3.07Å
39	G	78.8	Confident	69.3	Low	21 Å²	21	82.4 Å²	82.4	22%	0.216	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-66.6	162.3	177.8	0	0	0	0	0	112.6	V42 D756	G39-V42 WeakPolarHBondContact CA-O 3.5Å; G39-V42 PolarHBondContact N-O 2.96Å; G39-D756 WeakPolarHBondContact CA-OD1 3.46Å
40	I	79.8	Confident	70.2	Confident	92 Å²	92	83 Å²	83	47%	0.472	45%	0.453	S	S	.	.	S	Bend	trans	-65.9	-41.3	179.2	-59	167	0	0	0	110.5	I136 D756	I40-I136 HydrophobicContact CD1-CG2 3.97Å; I40-D756 PolarHBondContact N-OD1 3.34Å; I40-D756 PolarHBondContact N-OD2 3.13Å; I40-D756 VanDerWaalsContact N-OD2 3.12Å
41	I	83.2	Confident	71.2	Confident	88 Å²	88	83.9 Å²	83.9	45%	0.451	46%	0.456	S	S	.	.	S	Bend	trans	-113.8	-48.4	-177.8	-59.4	-179.5	0	0	0	110.4	A752 V753 D756	I41-A752 HydrophobicContact CD1-CB 3.49Å; I41-A752 VanDerWaalsContact CD1-CB 3.49Å; I41-A752 HydrophobicContact CG1-CB 4.34Å; I41-V753 HydrophobicContact CB-CG2 4.43Å; I41-V753 HydrophobicContact CD1-CG2 4.11Å; I41-V753 HydrophobicContact CG2-CG2 4.13Å; I41-D756 WeakPolarHBondContact CA-OD2 3.42Å; I41-D756 PolarHBondContact N-OD2 3.04Å
42	V	85.7	Confident	73	Confident	44 Å²	44	84.9 Å²	84.9	27%	0.267	46%	0.459	S	S	.	.	S	Bend	trans	-97.1	116.9	-174.6	-177.4	0	0	0	0	110	G39 V753 D756	G39-V42 WeakPolarHBondContact CA-O 3.5Å; G39-V42 PolarHBondContact N-O 2.96Å; V42-V753 HydrophobicContact CG2-CG1 3.96Å; V42-V753 HydrophobicContact CG2-CG2 4.4Å; V42-D756 HydrophobicContact CB-CB 4.07Å; V42-D756 PolarHBondContact N-OD2 2.58Å
43	P	83.3	Confident	74.6	Confident	96 Å²	96	85.2 Å²	85.2	62%	0.623	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-68.5	149.2	176.7	29.2	-34.4	0	0	0	110.8
44	M	79.8	Confident	76.1	Confident	23 Å²	23	83.5 Å²	83.5	11%	0.113	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-70	144.4	179.7	-174.4	175	-78.3	0	0	112.1	C36 Y37 D38 R46	C36-M44 HydrophobicContact CB-CE 3.33Å; C36-M44 HydrophobicContact CB-SD 3.41Å; C36-M44 WeakPolarHBondContact CB-SD 3.47Å; C36-M44 WeakPolarHBondContact SG-CE 3.45Å; C36-M44 PolarHBondContact SG-SD 3.13Å; Y37-M44 WeakPolarHBondContact O-CE 3.25Å; D38-M44 VanDerWaalsContact OD1-CB 3.22Å; D38-M44 WeakPolarHBondContact OD1-CB 3.44Å; D38-M44 PolarHBondContact OD1-N 2.7Å; D38-M44 VanDerWaalsContact OD1-N 3.13Å; M44-R46 PolarHBondContact O-N 3.41Å
45	W	83.2	Confident	77.6	Confident	124 Å²	124	84.9 Å²	84.9	47%	0.47	48%	0.482	S	S	.	.			trans	-71.5	104	173.3	-171.6	-2.2	0	0	0	111	R59 Y63	W45-R59 HydrophobicContact CD2-CG 4.09Å; W45-R59 HydrophobicContact CE3-CB 4.36Å; W45-R59 HydrophobicContact CE3-CG 3.62Å; W45-R59 HydrophobicContact CH2-CG 4.04Å; W45-R59 HydrophobicContact CZ2-CG 4.48Å; W45-R59 HydrophobicContact CZ3-CB 4.36Å; W45-R59 HydrophobicContact CZ3-CG 3.6Å; W45-R59 PolarHBondContact O-NH1 3.39Å; W45-Y63 WeakPolarHBondContact CB-OH 3.33Å; W45-Y63 PolarHBondContact N-OH 3.1Å; W45-Y63 VanDerWaalsContact N-OH 3.13Å
46	R	79.4	Confident	78.9	Confident	177 Å²	177	83.1 Å²	83.1	67%	0.668	47%	0.474	S	S	*	.	S	Bend	trans	-85	153.3	176.1	-63	-173.3	-177.8	-172.7	1.3	112.5	D38 M44	D38-R46 IonicContact OD2-CZ 3.8Å; D38-R46 IonicContact OD2-NH2 2.86Å; D38-R46 PolarHBondContact OD2-NH2 3.07Å; M44-R46 PolarHBondContact O-N 3.41Å
47	P	76.8	Confident	79.8	Confident	82 Å²	82	83.2 Å²	83.2	53%	0.532	48%	0.478	S	S	.	.			cis	-75.5	154.4	-3.7	30.9	-35.7	0	0	0	112	I51 R59	P47-I51 HydrophobicContact CG-CG1 4.44Å; P47-I51 WeakPolarHBondContact O-CD1 3.27Å; P47-R59 PolarHBondContact O-NH1 3.03Å; P47-R59 PolarHBondContact O-NH2 3.49Å
48	S	65.7	Low	80.6	Confident	63 Å²	63	79.6 Å²	79.6	44%	0.441	47%	0.474	S	S	.	.			trans	-95.7	-27.7	177.4	53.4	0	0	0	0	113.5	I51	S48-I51 WeakPolarHBondContact O-CD1 3.5Å
49	T	69.9	Low	81.2	Confident	119 Å²	119	76.8 Å²	76.8	73%	0.73	46%	0.457	S	S	*	.	S	Bend	trans	-111.7	143.8	-177.7	55	0	0	0	0	111.7
50	G	73.9	Confident	81.7	Confident	90 Å²	90	76.3 Å²	76.3	93%	0.928	45%	0.452	S	S	*	.	S	Bend	trans	85.8	19	175.9	0	0	0	0	0	115.9
51	I	76.2	Confident	82.3	Confident	32 Å²	32	77.5 Å²	77.5	16%	0.164	46%	0.458	C	S	.	.			trans	-91.8	148.3	-174.6	-50.5	164.1	0	0	0	111.4	P47 S48 D55 K56 R59	P47-I51 HydrophobicContact CG-CG1 4.44Å; P47-I51 WeakPolarHBondContact O-CD1 3.27Å; S48-I51 WeakPolarHBondContact O-CD1 3.5Å; I51-D55 HydrophobicContact CG2-CB 3.17Å; I51-K56 HydrophobicContact CB-CG 4.38Å; I51-K56 HydrophobicContact CG2-CG 4.27Å; I51-R59 VanDerWaalsContact CD1-NH1 3.34Å
52	T	84.3	Confident	82.8	Confident	81 Å²	81	76.8 Å²	76.8	50%	0.497	46%	0.457	S	S	.	.			trans	-65	156.9	174.4	73.3	0	0	0	0	112.2	G54 D55 K56	T52-G54 VanDerWaalsContact C-N 3.25Å; T52-G54 PolarHBondContact O-N 2.89Å; T52-D55 PolarHBondContact O-N 2.87Å; T52-D55 WeakPolarHBondContact OG1-CB 3.12Å; T52-D55 PolarHBondContact OG1-N 2.99Å; T52-D55 VanDerWaalsContact OG1-N 3.17Å; T52-D55 PolarHBondContact OG1-OD2 3.42Å; T52-K56 PolarHBondContact O-N 3.06Å; T52-K56 VanDerWaalsContact O-N 3.1Å
53	T	82.6	Confident	83.2	Confident	128 Å²	128	75.8 Å²	75.8	79%	0.785	45%	0.449	S	S	*	.	H	α-helix	trans	-61.5	-34.8	175.6	49.3	0	0	0	0	112.4	K56 A57	T53-K56 PolarHBondContact O-N 2.76Å; T53-A57 PolarHBondContact O-N 2.02Å
54	G	85.3	Confident	83.7	Confident	44 Å²	44	74.6 Å²	74.6	45%	0.454	43%	0.434	S	S	.	.	H	α-helix	trans	-64.6	-45.3	176.5	0	0	0	0	0	112.5	T52 A57 A58	T52-G54 VanDerWaalsContact C-N 3.25Å; T52-G54 PolarHBondContact O-N 2.89Å; G54-A57 PolarHBondContact O-N 2.94Å; G54-A58 WeakPolarHBondContact O-CB 3.12Å; G54-A58 PolarHBondContact O-N 3.09Å
55	D	86.3	Confident	84.4	Confident	81 Å²	81	76.6 Å²	76.6	43%	0.433	45%	0.451	S	S	.	.	H	α-helix	trans	-65.3	-39.8	176.9	-68.2	-35.6	0	0	0	111.9	I51 T52 A57 A58 R59	I51-D55 HydrophobicContact CG2-CB 3.17Å; T52-D55 PolarHBondContact O-N 2.87Å; T52-D55 WeakPolarHBondContact OG1-CB 3.12Å; T52-D55 PolarHBondContact OG1-N 2.99Å; T52-D55 VanDerWaalsContact OG1-N 3.17Å; T52-D55 PolarHBondContact OG1-OD2 3.42Å; D55-A57 VanDerWaalsContact C-N 3.34Å; D55-A57 PolarHBondContact O-N 3.43Å; D55-A58 PolarHBondContact O-N 3.35Å; D55-R59 WeakPolarHBondContact O-CB 3.39Å; D55-R59 VanDerWaalsContact O-CG 3.23Å; D55-R59 WeakPolarHBondContact O-CG 3.45Å; D55-R59 PolarHBondContact O-N 2.9Å
56	K	85.2	Confident	84.9	Confident	103 Å²	103	72.4 Å²	72.4	45%	0.448	44%	0.442	S	S	.	.	H	α-helix	trans	-58.6	-46.2	173.1	-71.9	-175.5	-179.7	-171	0	111.5	I51 T52 T53 R59 A60	I51-K56 HydrophobicContact CB-CG 4.38Å; I51-K56 HydrophobicContact CG2-CG 4.27Å; T52-K56 PolarHBondContact O-N 3.06Å; T52-K56 VanDerWaalsContact O-N 3.1Å; T53-K56 PolarHBondContact O-N 2.76Å; K56-R59 PolarHBondContact O-N 3.38Å; K56-A60 WeakPolarHBondContact O-CB 3.4Å; K56-A60 PolarHBondContact O-N 3.36Å
57	A	87.2	Confident	85.6	Confident	50 Å²	50	64 Å²	64	41%	0.413	41%	0.41	S	S	.	.	H	α-helix	trans	-64.1	-43.5	177.8	0	0	0	0	0	111.9	T53 G54 D55 R59 A60 I61	T53-A57 PolarHBondContact O-N 2.02Å; G54-A57 PolarHBondContact O-N 2.94Å; D55-A57 VanDerWaalsContact C-N 3.34Å; D55-A57 PolarHBondContact O-N 3.43Å; A57-R59 PolarHBondContact O-N 3.12Å; A57-A60 PolarHBondContact O-N 3.32Å; A57-I61 VanDerWaalsContact O-CG1 3.28Å; A57-I61 WeakPolarHBondContact O-CG1 3.02Å; A57-I61 PolarHBondContact O-N 2.97Å
58	A	89.5	Confident	86.4	Confident	49 Å²	49	64.1 Å²	64.1	41%	0.405	41%	0.405	S	S	.	.	H	α-helix	trans	-60.6	-45	176.8	0	0	0	0	0	111.6	G54 D55 I61 V62	G54-A58 WeakPolarHBondContact O-CB 3.12Å; G54-A58 PolarHBondContact O-N 3.09Å; D55-A58 PolarHBondContact O-N 3.35Å; A58-I61 PolarHBondContact O-N 3.46Å; A58-V62 WeakPolarHBondContact O-CG2 3.38Å; A58-V62 PolarHBondContact O-N 3.47Å
59	R	89.3	Confident	87.7	Confident	25 Å²	25	65.1 Å²	65.1	9%	0.094	40%	0.399	C	S	.	.	H	α-helix	trans	-62	-45.2	175.5	-71	-179.4	-178.4	-166.3	10.2	112.4	W45 P47 I51 D55 K56 A57 I61 V62 Y63	W45-R59 HydrophobicContact CD2-CG 4.09Å; W45-R59 HydrophobicContact CE3-CB 4.36Å; W45-R59 HydrophobicContact CE3-CG 3.62Å; W45-R59 HydrophobicContact CH2-CG 4.04Å; W45-R59 HydrophobicContact CZ2-CG 4.48Å; W45-R59 HydrophobicContact CZ3-CB 4.36Å; W45-R59 HydrophobicContact CZ3-CG 3.6Å; W45-R59 PolarHBondContact O-NH1 3.39Å; P47-R59 PolarHBondContact O-NH1 3.03Å; P47-R59 PolarHBondContact O-NH2 3.49Å; I51-R59 VanDerWaalsContact CD1-NH1 3.34Å; D55-R59 WeakPolarHBondContact O-CB 3.39Å; D55-R59 VanDerWaalsContact O-CG 3.23Å; D55-R59 WeakPolarHBondContact O-CG 3.45Å; D55-R59 PolarHBondContact O-N 2.9Å; K56-R59 PolarHBondContact O-N 3.38Å; A57-R59 PolarHBondContact O-N 3.12Å; R59-I61 VanDerWaalsContact C-N 3.3Å; R59-I61 PolarHBondContact O-N 3.42Å; R59-V62 PolarHBondContact O-N 3.25Å; R59-Y63 HydrophobicContact CB-CD2 4.44Å; R59-Y63 HydrophobicContact CB-CE2 4.45Å; R59-Y63 VanDerWaalsContact O-CD2 3.23Å; R59-Y63 WeakPolarHBondContact O-CD2 3.42Å; R59-Y63 PolarHBondContact O-N 3.45Å
60	A	89.5	Confident	88.9	Confident	12 Å²	12	60.3 Å²	60.3	10%	0.099	37%	0.369	C	S	.	.	H	α-helix	trans	-59.4	-41.2	176.5	0	0	0	0	0	111.8	K56 A57 F64 F761 I765	K56-A60 WeakPolarHBondContact O-CB 3.4Å; K56-A60 PolarHBondContact O-N 3.36Å; A57-A60 PolarHBondContact O-N 3.32Å; A60-F64 WeakPolarHBondContact O-CB 3.37Å; A60-F64 PolarHBondContact O-N 2.86Å; A60-F761 HydrophobicContact CB-CE2 4.4Å; A60-F761 WeakPolarHBondContact O-CE2 3.49Å; A60-I765 HydrophobicContact CB-CD1 4.1Å; A60-I765 HydrophobicContact CB-CG1 3.71Å
61	I	92.6	Very high	89.9	Confident	117 Å²	117	56.3 Å²	56.3	60%	0.6	33%	0.326	S	S	*	.	H	α-helix	trans	-64.5	-42.9	176.3	-68.2	164.5	0	0	0	111.2	A57 A58 R59 F64 S65	A57-I61 VanDerWaalsContact O-CG1 3.28Å; A57-I61 WeakPolarHBondContact O-CG1 3.02Å; A57-I61 PolarHBondContact O-N 2.97Å; A58-I61 PolarHBondContact O-N 3.46Å; R59-I61 VanDerWaalsContact C-N 3.3Å; R59-I61 PolarHBondContact O-N 3.42Å; I61-F64 PolarHBondContact O-N 3.19Å; I61-S65 WeakPolarHBondContact O-CB 3.38Å; I61-S65 PolarHBondContact O-N 2.91Å; I61-S65 PolarHBondContact O-OG 2.72Å
62	V	94	Very high	90.5	Very high	72 Å²	72	56.3 Å²	56.3	44%	0.436	33%	0.327	S	S	.	.	H	α-helix	trans	-64.8	-46.5	177.8	171.5	0	0	0	0	111.4	A58 R59 S65 A66	A58-V62 WeakPolarHBondContact O-CG2 3.38Å; A58-V62 PolarHBondContact O-N 3.47Å; R59-V62 PolarHBondContact O-N 3.25Å; V62-S65 PolarHBondContact O-N 3.42Å; V62-S65 PolarHBondContact O-OG 2.99Å; V62-A66 VanDerWaalsContact O-CB 3.29Å; V62-A66 WeakPolarHBondContact O-CB 3.15Å; V62-A66 PolarHBondContact O-N 2.76Å
63	Y	93.2	Very high	90.9	Very high	23 Å²	23	52.5 Å²	52.5	9%	0.09	30%	0.303	C	S	.	.	H	α-helix	trans	-66.6	-39	177.5	-74.1	-57	0	0	0	112.1	W45 R59 A66 L67 V757	W45-Y63 WeakPolarHBondContact CB-OH 3.33Å; W45-Y63 PolarHBondContact N-OH 3.1Å; W45-Y63 VanDerWaalsContact N-OH 3.13Å; R59-Y63 HydrophobicContact CB-CD2 4.44Å; R59-Y63 HydrophobicContact CB-CE2 4.45Å; R59-Y63 VanDerWaalsContact O-CD2 3.23Å; R59-Y63 WeakPolarHBondContact O-CD2 3.42Å; R59-Y63 PolarHBondContact O-N 3.45Å; Y63-A66 PolarHBondContact O-N 3.46Å; Y63-L67 WeakPolarHBondContact O-CB 3.48Å; Y63-L67 PolarHBondContact O-N 3.4Å; Y63-V757 HydrophobicContact CD1-CG1 4.19Å
64	F	94	Very high	91.4	Very high	71 Å²	71	46.5 Å²	46.5	31%	0.311	27%	0.266	S	S	.	.	H	α-helix	trans	-63.9	-44.2	175.6	-175.3	-104.4	0	0	0	112.1	A60 I61 L67 M68 F761 F776	A60-F64 WeakPolarHBondContact O-CB 3.37Å; A60-F64 PolarHBondContact O-N 2.86Å; I61-F64 PolarHBondContact O-N 3.19Å; F64-L67 PolarHBondContact O-N 3.45Å; F64-M68 HydrophobicContact CD1-CG 4.32Å; F64-M68 HydrophobicContact CE1-CG 3.94Å; F64-M68 HydrophobicContact CE2-CG 4.4Å; F64-M68 HydrophobicContact CZ-CG 3.98Å; F64-M68 HydrophobicContact CZ-SD 4.18Å; F64-M68 WeakPolarHBondContact O-CG 3.48Å; F64-M68 PolarHBondContact O-N 2.77Å; F64-F761 HydrophobicContact CB-CD2 4.09Å; F64-F761 HydrophobicContact CB-CE2 3.64Å; F64-F761 HydrophobicContact CB-CZ 4.32Å; F64-F761 HydrophobicContact CD2-CE1 4.48Å; F64-F761 HydrophobicContact CD2-CE2 4.01Å; F64-F761 AromaticContact CD2-CZ 3.8Å; F64-F761 HydrophobicContact CD2-CZ 3.8Å; F64-F761 HydrophobicContact CG-CE2 4.25Å; F64-F761 HydrophobicContact CG-CZ 4.47Å; F64-F776 AromaticContact CE2-CD1 3.98Å; F64-F776 HydrophobicContact CE2-CD1 3.98Å; F64-F776 AromaticContact CE2-CE1 3.99Å; F64-F776 HydrophobicContact CE2-CE1 3.99Å
65	S	93.8	Very high	91.6	Very high	66 Å²	66	45 Å²	45	46%	0.462	25%	0.249	S	C	.	.	H	α-helix	trans	-66.6	-39.8	177.7	66.8	0	0	0	0	111.7	I61 V62 M68 Y69	I61-S65 WeakPolarHBondContact O-CB 3.38Å; I61-S65 PolarHBondContact O-N 2.91Å; I61-S65 PolarHBondContact O-OG 2.72Å; V62-S65 PolarHBondContact O-N 3.42Å; V62-S65 PolarHBondContact O-OG 2.99Å; S65-M68 PolarHBondContact O-N 3.27Å; S65-Y69 WeakPolarHBondContact O-CB 3.44Å; S65-Y69 PolarHBondContact O-N 3.07Å
66	A	94.3	Very high	91.7	Very high	35 Å²	35	41.7 Å²	41.7	29%	0.289	23%	0.231	S	C	.	.	H	α-helix	trans	-61.4	-44.8	172.4	0	0	0	0	0	111.6	V62 Y63 Y69 L70 V757	V62-A66 VanDerWaalsContact O-CB 3.29Å; V62-A66 WeakPolarHBondContact O-CB 3.15Å; V62-A66 PolarHBondContact O-N 2.76Å; Y63-A66 PolarHBondContact O-N 3.46Å; A66-Y69 PolarHBondContact O-N 3.38Å; A66-L70 WeakPolarHBondContact O-CB 3.45Å; A66-L70 VanDerWaalsContact O-CG 3.28Å; A66-L70 WeakPolarHBondContact O-CG 3.37Å; A66-L70 PolarHBondContact O-N 3.4Å; A66-V757 HydrophobicContact CB-CG1 4.29Å
67	L	94.4	Very high	92.1	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-61.2	-46.7	178.1	-171.4	68.9	0	0	0	111.4	Y63 F64 Y69 L70 F71 I754 V757 A758 F776	Y63-L67 WeakPolarHBondContact O-CB 3.48Å; Y63-L67 PolarHBondContact O-N 3.4Å; F64-L67 PolarHBondContact O-N 3.45Å; L67-Y69 VanDerWaalsContact C-N 3.31Å; L67-Y69 PolarHBondContact O-N 3.41Å; L67-L70 PolarHBondContact O-N 3.09Å; L67-F71 HydrophobicContact CD1-CE1 4.28Å; L67-F71 HydrophobicContact CD1-CE2 4.03Å; L67-F71 HydrophobicContact CD1-CZ 3.66Å; L67-F71 HydrophobicContact CD2-CE2 3.79Å; L67-F71 HydrophobicContact CD2-CZ 3.97Å; L67-F71 HydrophobicContact CG-CD2 4.18Å; L67-F71 HydrophobicContact CG-CE2 3.43Å; L67-F71 VanDerWaalsContact CG-CE2 3.43Å; L67-F71 HydrophobicContact CG-CZ 3.61Å; L67-F71 VanDerWaalsContact O-CD2 3.27Å; L67-F71 WeakPolarHBondContact O-CD2 3.18Å; L67-F71 WeakPolarHBondContact O-CG 3.3Å; L67-F71 PolarHBondContact O-N 3.04Å; L67-I754 HydrophobicContact CD1-CG2 3.96Å; L67-V757 HydrophobicContact CB-CG1 4.07Å; L67-V757 HydrophobicContact CD1-CG1 4.25Å; L67-A758 HydrophobicContact CD1-CB 4.12Å; L67-F776 HydrophobicContact CD2-CB 4.3Å
68	M	92.9	Very high	92.1	Very high	85 Å²	85	34.4 Å²	34.4	42%	0.419	19%	0.19	S	C	.	.	H	α-helix	trans	-61.6	-38.8	174.9	-70.9	-59	-59.3	0	0	112.4	F64 S65 F71 L72	F64-M68 HydrophobicContact CD1-CG 4.32Å; F64-M68 HydrophobicContact CE1-CG 3.94Å; F64-M68 HydrophobicContact CE2-CG 4.4Å; F64-M68 HydrophobicContact CZ-CG 3.98Å; F64-M68 HydrophobicContact CZ-SD 4.18Å; F64-M68 WeakPolarHBondContact O-CG 3.48Å; F64-M68 PolarHBondContact O-N 2.77Å; S65-M68 PolarHBondContact O-N 3.27Å; M68-F71 PolarHBondContact O-N 3.01Å; M68-F71 HydrophobicContact SD-CD2 4.26Å; M68-L72 PolarHBondContact O-N 2.85Å; M68-L72 VanDerWaalsContact O-N 3.17Å
69	Y	94.2	Very high	91.8	Very high	83 Å²	83	32.6 Å²	32.6	33%	0.325	17%	0.174	S	C	.	.	H	α-helix	trans	-68.4	-35	176.5	-171.1	-110.7	0	0	0	112.7	S65 A66 L67 L72 G73 L717 F720 W721	S65-Y69 WeakPolarHBondContact O-CB 3.44Å; S65-Y69 PolarHBondContact O-N 3.07Å; A66-Y69 PolarHBondContact O-N 3.38Å; L67-Y69 VanDerWaalsContact C-N 3.31Å; L67-Y69 PolarHBondContact O-N 3.41Å; Y69-L72 HydrophobicContact CD2-CD2 4.48Å; Y69-L72 WeakPolarHBondContact O-CB 3.29Å; Y69-L72 PolarHBondContact O-N 2.65Å; Y69-G73 PolarHBondContact O-N 3.37Å; Y69-G73 VanDerWaalsContact O-N 3.16Å; Y69-L717 WeakPolarHBondContact CE2-O 2.84Å; Y69-F720 HydrophobicContact CE1-CD1 4.27Å; Y69-F720 WeakPolarHBondContact OH-CB 3.23Å; Y69-F720 VanDerWaalsContact OH-CD1 3.26Å; Y69-F720 WeakPolarHBondContact OH-CD1 3.2Å; Y69-W721 AromaticContact CD1-CZ2 3.89Å; Y69-W721 HydrophobicContact CD1-CZ2 3.89Å; Y69-W721 AromaticContact CD1-NE1 3.61Å; Y69-W721 AromaticContact CE1-CE2 3.63Å; Y69-W721 AromaticContact CE1-CZ2 3.73Å; Y69-W721 HydrophobicContact CE1-CZ2 3.73Å; Y69-W721 AromaticContact CE1-NE1 3.23Å; Y69-W721 AromaticContact CE2-NE1 3.66Å; Y69-W721 AromaticContact CG-NE1 3.99Å; Y69-W721 AromaticContact CZ-CD1 3.8Å; Y69-W721 AromaticContact CZ-NE1 3.26Å; Y69-W721 VanDerWaalsContact CZ-NE1 3.26Å; Y69-W721 PolarHBondContact O-NE1 3.1Å; Y69-W721 VanDerWaalsContact O-NE1 3.16Å
70	L	94.7	Very high	91.7	Very high	19 Å²	19	32.4 Å²	32.4	10%	0.099	17%	0.173	C	C	.	.	H	α-helix	trans	-71.1	-38.6	174.5	-71.1	164.8	0	0	0	112.2	A66 L67 L72 G73 V74 W721 L750 V753 I754 V757	A66-L70 WeakPolarHBondContact O-CB 3.45Å; A66-L70 VanDerWaalsContact O-CG 3.28Å; A66-L70 WeakPolarHBondContact O-CG 3.37Å; A66-L70 PolarHBondContact O-N 3.4Å; L67-L70 PolarHBondContact O-N 3.09Å; L70-L72 PolarHBondContact O-N 3.28Å; L70-G73 CarbonylContact O-C 3.37Å; L70-G73 WeakPolarHBondContact O-CA 3.29Å; L70-G73 PolarHBondContact O-N 2.84Å; L70-V74 PolarHBondContact O-N 3.06Å; L70-W721 HydrophobicContact CD2-CH2 4.06Å; L70-W721 HydrophobicContact CD2-CZ2 4.09Å; L70-L750 HydrophobicContact CD2-CD2 4.35Å; L70-V753 HydrophobicContact CD1-CG1 3.78Å; L70-V753 HydrophobicContact CD2-CG1 4.02Å; L70-I754 HydrophobicContact CB-CD1 4.06Å; L70-I754 HydrophobicContact CB-CG1 3.6Å; L70-I754 HydrophobicContact CD1-CG1 4.1Å; L70-I754 HydrophobicContact CG-CG1 4.38Å; L70-V757 HydrophobicContact CD1-CB 4.29Å; L70-V757 HydrophobicContact CD1-CG1 4.45Å; L70-V757 HydrophobicContact CD1-CG2 4.01Å
71	F	93.6	Very high	91.8	Very high	5 Å²	5	31.8 Å²	31.8	2%	0.022	17%	0.168	C	C	.	.	H	α-helix	trans	-62	-34.3	172.8	-67.5	-41.4	0	0	0	112.4	L67 M68 V74 S75 I754 T781	L67-F71 HydrophobicContact CD1-CE1 4.28Å; L67-F71 HydrophobicContact CD1-CE2 4.03Å; L67-F71 HydrophobicContact CD1-CZ 3.66Å; L67-F71 HydrophobicContact CD2-CE2 3.79Å; L67-F71 HydrophobicContact CD2-CZ 3.97Å; L67-F71 HydrophobicContact CG-CD2 4.18Å; L67-F71 HydrophobicContact CG-CE2 3.43Å; L67-F71 VanDerWaalsContact CG-CE2 3.43Å; L67-F71 HydrophobicContact CG-CZ 3.61Å; L67-F71 VanDerWaalsContact O-CD2 3.27Å; L67-F71 WeakPolarHBondContact O-CD2 3.18Å; L67-F71 WeakPolarHBondContact O-CG 3.3Å; L67-F71 PolarHBondContact O-N 3.04Å; M68-F71 PolarHBondContact O-N 3.01Å; M68-F71 HydrophobicContact SD-CD2 4.26Å; F71-V74 PolarHBondContact O-N 3.4Å; F71-S75 WeakPolarHBondContact O-CB 3.42Å; F71-S75 PolarHBondContact O-N 3.38Å; F71-S75 PolarHBondContact O-OG 2.86Å; F71-I754 HydrophobicContact CD1-CD1 3.97Å; F71-I754 HydrophobicContact CE1-CD1 4.15Å; F71-I754 HydrophobicContact CE1-CG1 4.5Å; F71-I754 HydrophobicContact CE1-CG2 3.71Å; F71-I754 HydrophobicContact CZ-CG2 4.29Å; F71-T781 HydrophobicContact CE1-CG2 4.3Å
72	L	90.6	Very high	91.5	Very high	33 Å²	33	26.3 Å²	26.3	17%	0.173	14%	0.14	C	C	.	.	H	α-helix	trans	-63	-43.8	171.2	-172.4	65.1	0	0	0	111.1	M68 Y69 L70 S75 I76 L717 T718	M68-L72 PolarHBondContact O-N 2.85Å; M68-L72 VanDerWaalsContact O-N 3.17Å; Y69-L72 HydrophobicContact CD2-CD2 4.48Å; Y69-L72 WeakPolarHBondContact O-CB 3.29Å; Y69-L72 PolarHBondContact O-N 2.65Å; L70-L72 PolarHBondContact O-N 3.28Å; L72-S75 PolarHBondContact O-N 3.48Å; L72-I76 HydrophobicContact CG-CD1 4.38Å; L72-I76 WeakPolarHBondContact O-CD1 3.38Å; L72-I76 VanDerWaalsContact O-CG1 3.3Å; L72-I76 WeakPolarHBondContact O-CG1 3.42Å; L72-I76 PolarHBondContact O-N 3.36Å; L72-I76 VanDerWaalsContact O-N 3.14Å; L72-L717 HydrophobicContact CD2-CB 4.45Å; L72-T718 HydrophobicContact CD1-CG2 3.65Å; L72-T718 HydrophobicContact CD2-CG2 3.55Å; L72-T718 HydrophobicContact CG-CG2 3.7Å
73	G	92.8	Very high	91.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.1	-52	172.4	0	0	0	0	0	112.6	Y69 L70 S75 I76 I77 F725	Y69-G73 PolarHBondContact O-N 3.37Å; Y69-G73 VanDerWaalsContact O-N 3.16Å; L70-G73 CarbonylContact O-C 3.37Å; L70-G73 WeakPolarHBondContact O-CA 3.29Å; L70-G73 PolarHBondContact O-N 2.84Å; G73-S75 VanDerWaalsContact C-N 3.28Å; G73-S75 PolarHBondContact O-N 3.17Å; G73-I76 PolarHBondContact O-N 3.23Å; G73-I76 VanDerWaalsContact O-N 3.14Å; G73-I77 PolarHBondContact O-N 2.95Å; G73-F725 VanDerWaalsContact O-CE2 3.22Å; G73-F725 WeakPolarHBondContact O-CE2 3.41Å
74	V	92.2	Very high	90.9	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.012	12%	0.119	C	C	.	.	H	α-helix	trans	-58.4	-40.2	177	170.9	0	0	0	0	111.9	L70 F71 I76 I77 A78 P129 L750 I754	L70-V74 PolarHBondContact O-N 3.06Å; F71-V74 PolarHBondContact O-N 3.4Å; V74-I76 VanDerWaalsContact C-N 3.32Å; V74-I76 PolarHBondContact O-N 3.25Å; V74-I77 VanDerWaalsContact O-CG2 3.31Å; V74-I77 WeakPolarHBondContact O-CG2 3.41Å; V74-I77 PolarHBondContact O-N 2.9Å; V74-A78 WeakPolarHBondContact O-CB 3.25Å; V74-A78 PolarHBondContact O-N 3.43Å; V74-P129 HydrophobicContact CG1-CB 4.13Å; V74-P129 HydrophobicContact CG1-CG 3.56Å; V74-L750 HydrophobicContact CG2-CB 3.91Å; V74-L750 HydrophobicContact CG2-CD1 4.41Å; V74-I754 HydrophobicContact CB-CD1 4.37Å; V74-I754 HydrophobicContact CG2-CD1 3.34Å
75	S	88.6	Confident	90.6	Very high	13 Å²	13	18.9 Å²	18.9	9%	0.091	10%	0.104	C	C	.	.	H	α-helix	trans	-61.4	-40.4	178	-59.5	0	0	0	0	112	F71 L72 G73 D79 T336	F71-S75 WeakPolarHBondContact O-CB 3.42Å; F71-S75 PolarHBondContact O-N 3.38Å; F71-S75 PolarHBondContact O-OG 2.86Å; L72-S75 PolarHBondContact O-N 3.48Å; G73-S75 VanDerWaalsContact C-N 3.28Å; G73-S75 PolarHBondContact O-N 3.17Å; S75-D79 PolarHBondContact O-N 3.31Å; S75-T336 VanDerWaalsContact O-CG2 3.31Å; S75-T336 WeakPolarHBondContact O-CG2 3.46Å
76	I	89.8	Confident	90.2	Very high	11 Å²	11	16.3 Å²	16.3	6%	0.056	9%	0.085	C	C	.	.	H	α-helix	trans	-72.7	-44.3	-179.6	-61.4	161.1	0	0	0	111.5	L72 G73 V74 A78 D79 T340 T718 W721 K722 F725	L72-I76 HydrophobicContact CG-CD1 4.38Å; L72-I76 WeakPolarHBondContact O-CD1 3.38Å; L72-I76 VanDerWaalsContact O-CG1 3.3Å; L72-I76 WeakPolarHBondContact O-CG1 3.42Å; L72-I76 PolarHBondContact O-N 3.36Å; L72-I76 VanDerWaalsContact O-N 3.14Å; G73-I76 PolarHBondContact O-N 3.23Å; G73-I76 VanDerWaalsContact O-N 3.14Å; V74-I76 VanDerWaalsContact C-N 3.32Å; V74-I76 PolarHBondContact O-N 3.25Å; I76-A78 VanDerWaalsContact C-N 3.26Å; I76-A78 PolarHBondContact O-N 3.23Å; I76-D79 WeakPolarHBondContact O-CB 3.36Å; I76-D79 PolarHBondContact O-N 3.22Å; I76-T340 HydrophobicContact CD1-CG2 4.26Å; I76-T340 HydrophobicContact CG1-CG2 3.77Å; I76-T718 HydrophobicContact CD1-CG2 3.86Å; I76-W721 HydrophobicContact CD1-CB 3.54Å; I76-W721 HydrophobicContact CD1-CG 4.26Å; I76-K722 HydrophobicContact CG2-CG 4.4Å; I76-F725 HydrophobicContact CB-CD2 4.03Å; I76-F725 HydrophobicContact CB-CE2 4.09Å; I76-F725 HydrophobicContact CG2-CD2 3.72Å; I76-F725 HydrophobicContact CG2-CE2 4.28Å
77	I	92.1	Very high	89.7	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-68.3	-30.6	177.8	-172.1	65.2	0	0	0	111.4	G73 V74 D79 R80 F81 F725 V728 V746 I747 L750	G73-I77 PolarHBondContact O-N 2.95Å; V74-I77 VanDerWaalsContact O-CG2 3.31Å; V74-I77 WeakPolarHBondContact O-CG2 3.41Å; V74-I77 PolarHBondContact O-N 2.9Å; I77-D79 PolarHBondContact O-N 3.33Å; I77-R80 HydrophobicContact CD1-CB 4.29Å; I77-R80 PolarHBondContact O-N 2.88Å; I77-F81 WeakPolarHBondContact O-CB 3.19Å; I77-F81 PolarHBondContact O-N 3.15Å; I77-F725 HydrophobicContact CB-CD1 4.39Å; I77-F725 HydrophobicContact CB-CD2 3.95Å; I77-F725 HydrophobicContact CB-CE1 4.28Å; I77-F725 HydrophobicContact CB-CE2 3.82Å; I77-F725 HydrophobicContact CB-CG 4.24Å; I77-F725 HydrophobicContact CB-CZ 4Å; I77-F725 HydrophobicContact CD1-CB 4.18Å; I77-F725 HydrophobicContact CD1-CD1 3.95Å; I77-F725 HydrophobicContact CD1-CD2 4.45Å; I77-F725 HydrophobicContact CD1-CE1 4.49Å; I77-F725 HydrophobicContact CD1-CG 3.94Å; I77-F725 HydrophobicContact CG2-CE2 4.42Å; I77-F725 HydrophobicContact CG2-CZ 4.39Å; I77-V728 HydrophobicContact CD1-CG2 3.9Å; I77-V746 HydrophobicContact CD1-CB 4.42Å; I77-V746 HydrophobicContact CD1-CG1 4.13Å; I77-V746 HydrophobicContact CG1-CB 4.29Å; I77-V746 HydrophobicContact CG1-CG1 3.93Å; I77-I747 HydrophobicContact CB-CG1 4.41Å; I77-I747 HydrophobicContact CG1-CD1 4.48Å; I77-I747 HydrophobicContact CG1-CG1 3.93Å; I77-I747 HydrophobicContact CG2-CD1 4.42Å; I77-I747 HydrophobicContact CG2-CG1 3.6Å; I77-L750 HydrophobicContact CG2-CD1 3.92Å
78	A	87.8	Confident	89.3	Confident	1 Å²	1	15.6 Å²	15.6	1%	0.008	8%	0.077	C	C	.	.	H	α-helix	trans	-61.9	-29.7	173.6	0	0	0	0	0	112.4	V74 I76 F81 M82	V74-A78 WeakPolarHBondContact O-CB 3.25Å; V74-A78 PolarHBondContact O-N 3.43Å; I76-A78 VanDerWaalsContact C-N 3.26Å; I76-A78 PolarHBondContact O-N 3.23Å; A78-F81 PolarHBondContact O-N 2.8Å; A78-M82 WeakPolarHBondContact O-CB 3.49Å; A78-M82 VanDerWaalsContact O-CG 3.26Å; A78-M82 WeakPolarHBondContact O-CG 3.1Å; A78-M82 PolarHBondContact O-N 2.89Å
79	D	83.6	Confident	88.8	Confident	11 Å²	11	11.9 Å²	11.9	6%	0.059	6%	0.059	C	C	.	.	H	α-helix	trans	-60.8	-53.1	171.3	-175.7	34.3	0	0	0	111.1	S75 I76 I77 F81 M82 A83 M333 T336 R337	S75-D79 PolarHBondContact O-N 3.31Å; I76-D79 WeakPolarHBondContact O-CB 3.36Å; I76-D79 PolarHBondContact O-N 3.22Å; I77-D79 PolarHBondContact O-N 3.33Å; D79-F81 VanDerWaalsContact C-N 3.28Å; D79-F81 PolarHBondContact O-N 2.67Å; D79-M82 PolarHBondContact O-N 3.42Å; D79-A83 PolarHBondContact O-N 3.32Å; D79-M333 WeakPolarHBondContact OD1-CA 3.42Å; D79-M333 WeakPolarHBondContact OD1-CB 3.1Å; D79-M333 WeakPolarHBondContact OD1-CG 3.35Å; D79-T336 HydrophobicContact CB-CG2 3.87Å; D79-R337 IonicContact OD2-NE 2.91Å
80	R	87.4	Confident	88	Confident	20 Å²	20	8.7 Å²	8.7	8%	0.075	5%	0.049	C	C	.	.	H	α-helix	trans	-60.6	-39.2	177	-68.3	-69.5	-179.4	-178.1	-8.6	112.2	I77 A83 A84 E688	I77-R80 HydrophobicContact CD1-CB 4.29Å; I77-R80 PolarHBondContact O-N 2.88Å; R80-A83 PolarHBondContact O-N 3.43Å; R80-A84 PolarHBondContact O-N 3.45Å; R80-E688 IonicContact CZ-OE2 3.89Å; R80-E688 IonicContact NH1-OE2 2.81Å; R80-E688 IonicContact NH2-OE1 3.96Å; R80-E688 IonicContact NH2-OE2 2.87Å; R80-E688 PolarHBondContact NH2-OE2 3.1Å
81	F	90.9	Very high	87.2	Confident	0 Å²	0	11 Å²	11	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64	-43	176.9	-174	-134.7	0	0	0	112.1	I77 A78 D79 A84 I85 L124 G125 A128 F740 C743 I744 I747	I77-F81 WeakPolarHBondContact O-CB 3.19Å; I77-F81 PolarHBondContact O-N 3.15Å; A78-F81 PolarHBondContact O-N 2.8Å; D79-F81 VanDerWaalsContact C-N 3.28Å; D79-F81 PolarHBondContact O-N 2.67Å; F81-A84 WeakPolarHBondContact O-CB 3.15Å; F81-A84 PolarHBondContact O-N 3.02Å; F81-I85 HydrophobicContact CD1-CD1 4.02Å; F81-I85 HydrophobicContact CD2-CD1 4.31Å; F81-I85 HydrophobicContact CE1-CD1 3.84Å; F81-I85 HydrophobicContact CE2-CD1 4.13Å; F81-I85 HydrophobicContact CE2-CG1 4.47Å; F81-I85 HydrophobicContact CG-CD1 4.26Å; F81-I85 HydrophobicContact CZ-CD1 3.88Å; F81-I85 WeakPolarHBondContact O-CG1 3.49Å; F81-I85 PolarHBondContact O-N 3.3Å; F81-L124 HydrophobicContact CE1-CD2 3.94Å; F81-L124 HydrophobicContact CZ-CD2 3.56Å; F81-G125 VanDerWaalsContact CE1-CA 3.47Å; F81-A128 HydrophobicContact CD1-CB 4.27Å; F81-A128 HydrophobicContact CE1-CB 3.62Å; F81-A128 HydrophobicContact CZ-CB 4.45Å; F81-F740 HydrophobicContact CD2-CD2 4.06Å; F81-F740 HydrophobicContact CD2-CE2 4.46Å; F81-F740 AromaticContact CE2-CD2 3.31Å; F81-F740 HydrophobicContact CE2-CD2 3.31Å; F81-F740 AromaticContact CE2-CE2 3.36Å; F81-F740 HydrophobicContact CE2-CE2 3.36Å; F81-F740 HydrophobicContact CE2-CG 4.02Å; F81-F740 HydrophobicContact CE2-CZ 4.13Å; F81-F740 HydrophobicContact CZ-CD2 4.07Å; F81-F740 AromaticContact CZ-CE2 3.63Å; F81-F740 HydrophobicContact CZ-CE2 3.63Å; F81-F740 HydrophobicContact CZ-CZ 4.26Å; F81-C743 HydrophobicContact CB-CB 3.89Å; F81-C743 HydrophobicContact CD2-CB 3.56Å; F81-C743 HydrophobicContact CE2-CB 4.45Å; F81-C743 HydrophobicContact CG-CB 4.07Å; F81-I744 HydrophobicContact CD2-CG1 4.4Å; F81-I744 HydrophobicContact CE2-CD1 3.93Å; F81-I744 HydrophobicContact CE2-CG1 3.48Å; F81-I744 VanDerWaalsContact CE2-CG1 3.48Å; F81-I744 HydrophobicContact CZ-CD1 3.98Å; F81-I744 HydrophobicContact CZ-CG1 3.65Å; F81-I747 HydrophobicContact CB-CD1 3.97Å; F81-I747 HydrophobicContact CD1-CD1 3.8Å; F81-I747 HydrophobicContact CE1-CD1 4.42Å; F81-I747 HydrophobicContact CG-CD1 3.88Å
82	M	87.5	Confident	86.2	Confident	2 Å²	2	14.3 Å²	14.3	1%	0.01	8%	0.075	C	C	.	.	H	α-helix	trans	-67.8	-35.6	175.3	-71.2	-58.3	-103.4	0	0	112.9	A78 D79 A84 I85 E86 M122 G125 A329 R332 M333	A78-M82 WeakPolarHBondContact O-CB 3.49Å; A78-M82 VanDerWaalsContact O-CG 3.26Å; A78-M82 WeakPolarHBondContact O-CG 3.1Å; A78-M82 PolarHBondContact O-N 2.89Å; D79-M82 PolarHBondContact O-N 3.42Å; M82-A84 VanDerWaalsContact C-N 3.31Å; M82-A84 PolarHBondContact O-N 3.3Å; M82-I85 PolarHBondContact O-N 2.96Å; M82-I85 HydrophobicContact SD-CD1 3.9Å; M82-E86 WeakPolarHBondContact O-CB 3.26Å; M82-E86 PolarHBondContact O-N 3.22Å; M82-M122 HydrophobicContact CE-SD 4.34Å; M82-G125 VanDerWaalsContact SD-CA 3.58Å; M82-A329 HydrophobicContact CB-CB 4.47Å; M82-R332 HydrophobicContact CE-CB 4.35Å; M82-R332 HydrophobicContact CE-CG 4.44Å; M82-R332 HydrophobicContact CG-CB 4.45Å; M82-R332 HydrophobicContact CG-CG 4.06Å; M82-R332 PolarHBondContact SD-NH1 3.32Å; M82-M333 HydrophobicContact CB-CG 4.1Å
83	A	85.5	Confident	85.5	Confident	9 Å²	9	19.2 Å²	19.2	7%	0.074	9%	0.094	C	C	.	.	H	α-helix	trans	-60.2	-43.1	173	0	0	0	0	0	111.3	D79 R80 E86 V87 M333 V677 T731	D79-A83 PolarHBondContact O-N 3.32Å; R80-A83 PolarHBondContact O-N 3.43Å; A83-E86 PolarHBondContact O-N 3.39Å; A83-V87 WeakPolarHBondContact O-CG2 2.99Å; A83-V87 PolarHBondContact O-N 3.22Å; A83-V87 VanDerWaalsContact O-N 3.1Å; A83-M333 WeakPolarHBondContact CA-SD 3.35Å; A83-M333 HydrophobicContact CB-SD 3.52Å; A83-M333 VanDerWaalsContact CB-SD 3.52Å; A83-V677 HydrophobicContact CB-CG1 4.4Å; A83-T731 HydrophobicContact CB-CG2 3.98Å
84	A	89.5	Confident	84.5	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.6	-43.9	175.4	0	0	0	0	0	112.2	R80 F81 M82 V87 I88 T731 C739 F740	R80-A84 PolarHBondContact O-N 3.45Å; F81-A84 WeakPolarHBondContact O-CB 3.15Å; F81-A84 PolarHBondContact O-N 3.02Å; M82-A84 VanDerWaalsContact C-N 3.31Å; M82-A84 PolarHBondContact O-N 3.3Å; A84-V87 PolarHBondContact O-N 2.88Å; A84-I88 WeakPolarHBondContact O-CD1 3.08Å; A84-I88 VanDerWaalsContact O-CG1 3.26Å; A84-I88 WeakPolarHBondContact O-CG1 3.46Å; A84-I88 PolarHBondContact O-N 3.44Å; A84-T731 HydrophobicContact CB-CG2 4.49Å; A84-C739 HydrophobicContact CB-CB 3.92Å; A84-F740 HydrophobicContact CB-CB 4.09Å
85	I	87.4	Confident	83.6	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.2	-41.5	177.2	-68.3	160.7	0	0	0	111.4	F81 M82 V87 I88 T89 L121 M122 F740	F81-I85 HydrophobicContact CD1-CD1 4.02Å; F81-I85 HydrophobicContact CD2-CD1 4.31Å; F81-I85 HydrophobicContact CE1-CD1 3.84Å; F81-I85 HydrophobicContact CE2-CD1 4.13Å; F81-I85 HydrophobicContact CE2-CG1 4.47Å; F81-I85 HydrophobicContact CG-CD1 4.26Å; F81-I85 HydrophobicContact CZ-CD1 3.88Å; F81-I85 WeakPolarHBondContact O-CG1 3.49Å; F81-I85 PolarHBondContact O-N 3.3Å; M82-I85 PolarHBondContact O-N 2.96Å; M82-I85 HydrophobicContact SD-CD1 3.9Å; I85-V87 VanDerWaalsContact C-N 3.35Å; I85-V87 PolarHBondContact O-N 3.26Å; I85-I88 PolarHBondContact O-N 3Å; I85-T89 HydrophobicContact CG2-CG2 4.1Å; I85-T89 WeakPolarHBondContact O-CB 3.23Å; I85-T89 VanDerWaalsContact O-CG2 3.31Å; I85-T89 WeakPolarHBondContact O-CG2 3.41Å; I85-T89 PolarHBondContact O-N 3.3Å; I85-T89 PolarHBondContact O-OG1 2.88Å; I85-L121 WeakPolarHBondContact CD1-O 3.41Å; I85-L121 HydrophobicContact CG2-CB 3.67Å; I85-M122 HydrophobicContact CG2-CE 3.88Å; I85-M122 HydrophobicContact CG2-CG 4.24Å; I85-M122 HydrophobicContact CG2-SD 3.53Å; I85-M122 VanDerWaalsContact CG2-SD 3.53Å; I85-F740 HydrophobicContact CD1-CE2 4.32Å; I85-F740 HydrophobicContact CG1-CD2 3.81Å; I85-F740 HydrophobicContact CG1-CE2 3.86Å
86	E	84.2	Confident	82.6	Confident	12 Å²	12	33.6 Å²	33.6	6%	0.056	17%	0.171	C	C	.	.	H	α-helix	trans	-60.2	-45.2	176.8	-173.6	66.3	-175.9	0	0	111	M82 A83 I88 T89 S90 M122 S327 A329 M333 V677	M82-E86 WeakPolarHBondContact O-CB 3.26Å; M82-E86 PolarHBondContact O-N 3.22Å; A83-E86 PolarHBondContact O-N 3.39Å; E86-I88 PolarHBondContact O-N 2.86Å; E86-T89 PolarHBondContact O-N 2.87Å; E86-T89 PolarHBondContact O-OG1 3.37Å; E86-S90 WeakPolarHBondContact O-CB 3.45Å; E86-S90 PolarHBondContact O-N 3.42Å; E86-S90 PolarHBondContact O-OG 3.36Å; E86-M122 WeakPolarHBondContact OE2-CE 3.15Å; E86-S327 VanDerWaalsContact CD-CB 3.47Å; E86-S327 VanDerWaalsContact CD-OG 3.28Å; E86-S327 WeakPolarHBondContact OE1-CB 3.46Å; E86-S327 PolarHBondContact OE1-OG 2.84Å; E86-S327 VanDerWaalsContact OE2-CB 3.26Å; E86-S327 WeakPolarHBondContact OE2-CB 3.33Å; E86-S327 PolarHBondContact OE2-OG 2.89Å; E86-A329 HydrophobicContact CB-CB 3.77Å; E86-A329 HydrophobicContact CG-CB 4.19Å; E86-A329 WeakPolarHBondContact OE2-CB 3.35Å; E86-M333 HydrophobicContact CB-CE 4.04Å; E86-M333 HydrophobicContact CG-CE 4.29Å; E86-V677 HydrophobicContact CG-CG1 4.5Å
87	V	83.9	Confident	81.5	Confident	21 Å²	21	35.1 Å²	35.1	13%	0.127	18%	0.179	C	C	.	.	H	α-helix	trans	-64.8	-38.9	177.1	174.1	0	0	0	0	112	A83 A84 I85 S90	A83-V87 WeakPolarHBondContact O-CG2 2.99Å; A83-V87 PolarHBondContact O-N 3.22Å; A83-V87 VanDerWaalsContact O-N 3.1Å; A84-V87 PolarHBondContact O-N 2.88Å; I85-V87 VanDerWaalsContact C-N 3.35Å; I85-V87 PolarHBondContact O-N 3.26Å; V87-S90 PolarHBondContact O-OG 2.9Å
88	I	86.2	Confident	80.2	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.1	-40.9	176.9	-68.3	164.1	0	0	0	111.6	A84 I85 E86 Q91 W112 L121 G735 W737 F740	A84-I88 WeakPolarHBondContact O-CD1 3.08Å; A84-I88 VanDerWaalsContact O-CG1 3.26Å; A84-I88 WeakPolarHBondContact O-CG1 3.46Å; A84-I88 PolarHBondContact O-N 3.44Å; I85-I88 PolarHBondContact O-N 3Å; E86-I88 PolarHBondContact O-N 2.86Å; I88-Q91 WeakPolarHBondContact O-CG 3.29Å; I88-W112 PolarHBondContact O-NE1 3.47Å; I88-L121 HydrophobicContact CG2-CD1 3.83Å; I88-G735 WeakPolarHBondContact CG1-O 3.08Å; I88-W737 HydrophobicContact CD1-CD2 3.9Å; I88-W737 HydrophobicContact CD1-CE3 4.07Å; I88-W737 HydrophobicContact CD1-CG 4.25Å; I88-W737 HydrophobicContact CD1-CZ3 4.46Å; I88-W737 HydrophobicContact CG1-CD2 4.32Å; I88-W737 HydrophobicContact CG1-CG 4.39Å; I88-W737 HydrophobicContact CG2-CH2 4.38Å; I88-W737 HydrophobicContact CG2-CZ2 3.71Å; I88-F740 HydrophobicContact CD1-CB 3.77Å; I88-F740 HydrophobicContact CD1-CD2 4.04Å; I88-F740 HydrophobicContact CD1-CG 3.98Å
89	T	81.5	Confident	78.7	Confident	8 Å²	8	47.9 Å²	47.9	5%	0.049	23%	0.229	C	C	.	.	H	α-helix	trans	-85.2	-22.5	-173.7	54.7	0	0	0	0	113.4	I85 E86 Q91 L121 M122	I85-T89 HydrophobicContact CG2-CG2 4.1Å; I85-T89 WeakPolarHBondContact O-CB 3.23Å; I85-T89 VanDerWaalsContact O-CG2 3.31Å; I85-T89 WeakPolarHBondContact O-CG2 3.41Å; I85-T89 PolarHBondContact O-N 3.3Å; I85-T89 PolarHBondContact O-OG1 2.88Å; E86-T89 PolarHBondContact O-N 2.87Å; E86-T89 PolarHBondContact O-OG1 3.37Å; T89-Q91 VanDerWaalsContact C-N 3.29Å; T89-Q91 PolarHBondContact O-N 3.24Å; T89-L121 HydrophobicContact CG2-CB 4.18Å; T89-L121 HydrophobicContact CG2-CD1 3.9Å; T89-M122 HydrophobicContact CG2-CE 4.35Å; T89-M122 WeakPolarHBondContact OG1-CE 3.21Å
90	S	77.8	Confident	77.3	Confident	16 Å²	16	54.1 Å²	54.1	11%	0.112	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	5.4	176.1	59.7	0	0	0	0	114.2	E86 V87 E92 A674	E86-S90 WeakPolarHBondContact O-CB 3.45Å; E86-S90 PolarHBondContact O-N 3.42Å; E86-S90 PolarHBondContact O-OG 3.36Å; V87-S90 PolarHBondContact O-OG 2.9Å; S90-E92 PolarHBondContact O-N 3.45Å; S90-A674 VanDerWaalsContact OG-CB 3.23Å; S90-A674 WeakPolarHBondContact OG-CB 3.12Å
91	Q	77.7	Confident	75.9	Confident	66 Å²	66	59.2 Å²	59.2	31%	0.308	28%	0.284	S	S	.	.			trans	-58.9	131.3	175.4	-66.9	-178	1.9	0	0	111.3	I88 T89 I111 G735	I88-Q91 WeakPolarHBondContact O-CG 3.29Å; T89-Q91 VanDerWaalsContact C-N 3.29Å; T89-Q91 PolarHBondContact O-N 3.24Å; Q91-I111 HydrophobicContact CB-CD1 3.84Å; Q91-I111 HydrophobicContact CB-CG1 4.45Å; Q91-I111 WeakPolarHBondContact O-CG1 3.44Å; Q91-I111 PolarHBondContact O-N 3.44Å; Q91-G735 PolarHBondContact NE2-O 3.32Å
92	E	74.2	Confident	74.4	Confident	76 Å²	76	61 Å²	61	36%	0.355	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	149.7	179	-62.3	-178.1	-177.5	0	0	110.9	S90 S108 V109 R110	S90-E92 PolarHBondContact O-N 3.45Å; E92-S108 WeakPolarHBondContact OE2-CB 3.39Å; E92-S108 PolarHBondContact OE2-OG 3.33Å; E92-V109 CarbonylContact C-O 3.56Å; E92-V109 WeakPolarHBondContact CA-O 3.48Å; E92-R110 HydrophobicContact CG-CG 4.28Å
93	K	74.2	Confident	73.3	Confident	135 Å²	135	66.6 Å²	66.6	59%	0.587	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	128.1	174.5	179.6	177.9	-179.3	-177.7	0	108.7	V95 V109 I111	K93-V95 PolarHBondContact O-N 3.4Å; K93-V109 PolarHBondContact N-O 2.9Å; K93-V109 PolarHBondContact O-N 2.84Å; K93-I111 HydrophobicContact CB-CD1 4.38Å; K93-I111 HydrophobicContact CB-CG1 3.84Å
94	E	73	Confident	72.4	Confident	156 Å²	156	71.2 Å²	71.2	73%	0.729	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	124	172.6	-64.6	-178.9	177.2	0	0	110.2
95	V	72.2	Confident	71.2	Confident	55 Å²	55	74 Å²	74	33%	0.333	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.6	175.2	-176.9	0	0	0	0	108.2	K93 L97 I107 V109	K93-V95 PolarHBondContact O-N 3.4Å; V95-L97 HydrophobicContact CG1-CD2 4.45Å; V95-L97 HydrophobicContact CG1-CG 4.41Å; V95-L97 PolarHBondContact O-N 3.48Å; V95-I107 PolarHBondContact N-O 2.95Å; V95-I107 PolarHBondContact O-N 3.09Å; V95-V109 HydrophobicContact CG2-CG2 4.36Å
96	T	69.4	Low	70.1	Confident	107 Å²	107	77.7 Å²	77.7	66%	0.656	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	105	173.1	51.8	0	0	0	0	109.3	T106	T96-T106 HydrophobicContact CG2-CG2 3.64Å
97	L	65	Low	69.2	Low	42 Å²	42	78.1 Å²	78.1	22%	0.22	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	134.6	171.8	-70.1	168.1	0	0	0	109.7	V95 T104 Q105 I107	V95-L97 HydrophobicContact CG1-CD2 4.45Å; V95-L97 HydrophobicContact CG1-CG 4.41Å; V95-L97 PolarHBondContact O-N 3.48Å; L97-T104 WeakPolarHBondContact O-CA 3.41Å; L97-Q105 PolarHBondContact N-O 3.27Å; L97-Q105 PolarHBondContact O-N 3.38Å; L97-I107 HydrophobicContact CD1-CB 4.44Å; L97-I107 HydrophobicContact CD1-CD1 3.6Å; L97-I107 HydrophobicContact CD1-CG1 4.05Å
98	R	65.2	Low	68.3	Low	205 Å²	205	79.5 Å²	79.5	77%	0.774	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	112.1	174.5	-166.1	173.6	-174.9	-176.3	-1.3	108.6	T104	R98-T104 HydrophobicContact CG-CG2 4.45Å
99	K	57.3	Low	67.3	Low	64 Å²	64	81.9 Å²	81.9	28%	0.278	42%	0.419	S	S	.	.			trans	-65.1	158.3	178.1	-163.1	166.2	-177.2	153.6	0	110.3	N101 G102 E103 E283	K99-N101 PolarHBondContact O-N 2.91Å; K99-N101 VanDerWaalsContact O-N 3.14Å; K99-G102 PolarHBondContact O-N 3.21Å; K99-E103 WeakPolarHBondContact CB-O 3.39Å; K99-E103 PolarHBondContact N-O 3.48Å; K99-E283 WeakPolarHBondContact CE-OE1 3.24Å; K99-E283 IonicContact NZ-OE1 2.57Å; K99-E283 PolarHBondContact NZ-OE1 3.17Å; K99-E283 VanDerWaalsContact NZ-OE1 3.13Å
100	K	52.9	Low	66.8	Low	143 Å²	143	87.1 Å²	87.1	62%	0.622	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-29.5	173	-70.2	-176.6	178.9	177.3	0	113.1	G102	K100-G102 PolarHBondContact O-N 3.14Å
101	N	59.3	Low	66.8	Low	127 Å²	127	90.9 Å²	90.9	68%	0.679	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	0.7	179.3	-60.7	6.9	0	0	0	113.1	K99 E103	K99-N101 PolarHBondContact O-N 2.91Å; K99-N101 VanDerWaalsContact O-N 3.14Å; N101-E103 VanDerWaalsContact C-N 3.29Å; N101-E103 PolarHBondContact O-N 3.4Å
102	G	58.9	Low	66.9	Low	37 Å²	37	91.4 Å²	91.4	38%	0.381	46%	0.455	S	S	.	.	S	Bend	trans	88.5	-17.3	-179.1	0	0	0	0	0	114.7	K99 K100	K99-G102 PolarHBondContact O-N 3.21Å; K100-G102 PolarHBondContact O-N 3.14Å
103	E	64.1	Low	67.3	Low	120 Å²	120	90 Å²	90	56%	0.561	45%	0.45	S	S	*	.			trans	-65.6	137.6	175.3	-65.9	178.8	169	0	0	112	K99 N101	K99-E103 WeakPolarHBondContact CB-O 3.39Å; K99-E103 PolarHBondContact N-O 3.48Å; N101-E103 VanDerWaalsContact C-N 3.29Å; N101-E103 PolarHBondContact O-N 3.4Å
104	T	66.1	Low	67.5	Low	106 Å²	106	89.2 Å²	89.2	65%	0.65	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	120	173.9	51.9	0	0	0	0	109.7	L97 R98	L97-T104 WeakPolarHBondContact O-CA 3.41Å; R98-T104 HydrophobicContact CG-CG2 4.45Å
105	Q	64.1	Low	67.8	Low	58 Å²	58	82.6 Å²	82.6	27%	0.271	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	127.9	172.5	-66.5	-169.6	8.2	0	0	109.6	L97	L97-Q105 PolarHBondContact N-O 3.27Å; L97-Q105 PolarHBondContact O-N 3.38Å
106	T	65.1	Low	68.5	Low	78 Å²	78	81.1 Å²	81.1	48%	0.479	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	112.4	171.3	48.8	0	0	0	0	108.5	T96	T96-T106 HydrophobicContact CG2-CG2 3.64Å
107	I	65.5	Low	69.2	Low	20 Å²	20	76.5 Å²	76.5	10%	0.103	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	133.7	174.3	-51.7	-167.4	0	0	0	108	V95 L97 V109	V95-I107 PolarHBondContact N-O 2.95Å; V95-I107 PolarHBondContact O-N 3.09Å; L97-I107 HydrophobicContact CD1-CB 4.44Å; L97-I107 HydrophobicContact CD1-CD1 3.6Å; L97-I107 HydrophobicContact CD1-CG1 4.05Å; I107-V109 HydrophobicContact CG2-CG2 4.25Å
108	S	65.9	Low	69.9	Low	51 Å²	51	75.8 Å²	75.8	36%	0.357	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	120.7	170.4	65.5	0	0	0	0	109.2	E92	E92-S108 WeakPolarHBondContact OE2-CB 3.39Å; E92-S108 PolarHBondContact OE2-OG 3.33Å
109	V	64.9	Low	70.8	Confident	49 Å²	49	66.5 Å²	66.5	30%	0.297	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	135.8	-177.8	-177.7	0	0	0	0	108.8	E92 K93 V95 I107 I111	E92-V109 CarbonylContact C-O 3.56Å; E92-V109 WeakPolarHBondContact CA-O 3.48Å; K93-V109 PolarHBondContact N-O 2.9Å; K93-V109 PolarHBondContact O-N 2.84Å; V95-V109 HydrophobicContact CG2-CG2 4.36Å; I107-V109 HydrophobicContact CG2-CG2 4.25Å; V109-I111 PolarHBondContact O-N 3.06Å
110	R	71.3	Confident	72.2	Confident	119 Å²	119	64.4 Å²	64.4	45%	0.449	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	132.8	175.2	-68.8	-177.8	-179.9	172.9	0.2	110.7	E92 W112	E92-R110 HydrophobicContact CG-CG 4.28Å; R110-W112 VanDerWaalsContact C-N 3.26Å; R110-W112 PolarHBondContact O-N 3.43Å
111	I	77.9	Confident	73.7	Confident	95 Å²	95	58.6 Å²	58.6	49%	0.487	31%	0.312	S	S	.	.	S	Bend	trans	-65.2	-36.6	177.7	-63.6	175.8	0	0	0	110.4	Q91 K93 V109	Q91-I111 HydrophobicContact CB-CD1 3.84Å; Q91-I111 HydrophobicContact CB-CG1 4.45Å; Q91-I111 WeakPolarHBondContact O-CG1 3.44Å; Q91-I111 PolarHBondContact O-N 3.44Å; K93-I111 HydrophobicContact CB-CD1 4.38Å; K93-I111 HydrophobicContact CB-CG1 3.84Å; V109-I111 PolarHBondContact O-N 3.06Å
112	W	79.7	Confident	74.8	Confident	77 Å²	77	52.6 Å²	52.6	29%	0.292	28%	0.28	S	S	.	.	S	Bend	trans	-95.7	128.3	-179.3	-66.8	86.9	0	0	0	111.3	I88 R110 V116 L121	I88-W112 PolarHBondContact O-NE1 3.47Å; R110-W112 VanDerWaalsContact C-N 3.26Å; R110-W112 PolarHBondContact O-N 3.43Å; W112-V116 HydrophobicContact CE3-CG1 4.21Å; W112-V116 HydrophobicContact CZ3-CG1 4.33Å; W112-L121 HydrophobicContact CH2-CD1 4.14Å; W112-L121 HydrophobicContact CZ2-CD1 4.12Å
113	N	81.8	Confident	76	Confident	46 Å²	46	50.8 Å²	50.8	25%	0.246	26%	0.262	C	S	.	.			trans	-63.5	136.2	165.1	170.1	-82	0	0	0	109.5	T115 V116 S117 Y232 D235	N113-T115 VanDerWaalsContact C-N 3.34Å; N113-T115 PolarHBondContact O-N 2.78Å; N113-T115 WeakPolarHBondContact OD1-CA 3.45Å; N113-T115 VanDerWaalsContact OD1-CB 3.28Å; N113-T115 WeakPolarHBondContact OD1-CB 3.19Å; N113-T115 PolarHBondContact OD1-N 3.38Å; N113-V116 HydrophobicContact CB-CB 4.19Å; N113-V116 HydrophobicContact CB-CG2 4.05Å; N113-V116 PolarHBondContact O-N 2.91Å; N113-V116 VanDerWaalsContact O-N 3.09Å; N113-V116 PolarHBondContact OD1-N 3.26Å; N113-V116 VanDerWaalsContact OD1-N 3.1Å; N113-S117 PolarHBondContact O-N 3.43Å; N113-S117 PolarHBondContact O-OG 3.33Å; N113-Y232 HydrophobicContact CB-CD2 4Å; N113-Y232 HydrophobicContact CB-CE2 3.94Å; N113-D235 PolarHBondContact ND2-OD2 3.05Å
114	E	78	Confident	77.2	Confident	118 Å²	118	46.7 Å²	46.7	55%	0.551	24%	0.243	S	C	*	.	H	α-helix	trans	-59.7	-40.1	-175.3	-172.4	-178.7	173.3	0	0	113	S117 N118	E114-S117 PolarHBondContact O-OG 3.49Å; E114-N118 WeakPolarHBondContact O-CB 3.41Å; E114-N118 PolarHBondContact O-N 3.29Å; E114-N118 PolarHBondContact O-ND2 3.13Å
115	T	80.4	Confident	78.1	Confident	17 Å²	17	41.7 Å²	41.7	10%	0.104	21%	0.213	C	C	.	.	H	α-helix	trans	-66.2	-40.1	176.3	-61.7	0	0	0	0	111.3	N113 L119 V185 A231 D235	N113-T115 VanDerWaalsContact C-N 3.34Å; N113-T115 PolarHBondContact O-N 2.78Å; N113-T115 WeakPolarHBondContact OD1-CA 3.45Å; N113-T115 VanDerWaalsContact OD1-CB 3.28Å; N113-T115 WeakPolarHBondContact OD1-CB 3.19Å; N113-T115 PolarHBondContact OD1-N 3.38Å; T115-L119 HydrophobicContact CG2-CD1 4.06Å; T115-L119 WeakPolarHBondContact O-CG 3.33Å; T115-L119 PolarHBondContact O-N 3.44Å; T115-L119 VanDerWaalsContact O-N 3.1Å; T115-V185 HydrophobicContact CG2-CG1 3.82Å; T115-A231 HydrophobicContact CG2-CB 3.9Å; T115-D235 HydrophobicContact CG2-CB 4.22Å; T115-D235 WeakPolarHBondContact OG1-CB 3.32Å; T115-D235 PolarHBondContact OG1-OD1 3.45Å; T115-D235 PolarHBondContact OG1-OD2 3.32Å
116	V	86.7	Confident	79	Confident	24 Å²	24	38.9 Å²	38.9	15%	0.145	20%	0.2	C	C	.	.	H	α-helix	trans	-67.8	-48.4	178.6	174.5	0	0	0	0	111.1	W112 N113 N118 L119 T120 V228 Y232	W112-V116 HydrophobicContact CE3-CG1 4.21Å; W112-V116 HydrophobicContact CZ3-CG1 4.33Å; N113-V116 HydrophobicContact CB-CB 4.19Å; N113-V116 HydrophobicContact CB-CG2 4.05Å; N113-V116 PolarHBondContact O-N 2.91Å; N113-V116 VanDerWaalsContact O-N 3.09Å; N113-V116 PolarHBondContact OD1-N 3.26Å; N113-V116 VanDerWaalsContact OD1-N 3.1Å; V116-N118 VanDerWaalsContact C-N 3.26Å; V116-N118 PolarHBondContact O-N 3.18Å; V116-L119 PolarHBondContact O-N 3.36Å; V116-T120 HydrophobicContact CG1-CG2 4.14Å; V116-T120 WeakPolarHBondContact O-CB 3.37Å; V116-T120 WeakPolarHBondContact O-CG2 3.39Å; V116-T120 PolarHBondContact O-N 3.45Å; V116-T120 PolarHBondContact O-OG1 3.36Å; V116-V228 HydrophobicContact CB-CG1 4.46Å; V116-V228 HydrophobicContact CG1-CG1 3.82Å; V116-V228 HydrophobicContact CG2-CG1 4.25Å; V116-Y232 HydrophobicContact CG2-CD2 3.68Å; V116-Y232 HydrophobicContact CG2-CG 4.06Å
117	S	83	Confident	80.2	Confident	10 Å²	10	35.2 Å²	35.2	7%	0.07	18%	0.177	C	C	.	.	H	α-helix	trans	-59.2	-41.4	177.3	61.6	0	0	0	0	111.1	N113 E114 L119 T120 L121 M122	N113-S117 PolarHBondContact O-N 3.43Å; N113-S117 PolarHBondContact O-OG 3.33Å; E114-S117 PolarHBondContact O-OG 3.49Å; S117-L119 PolarHBondContact O-N 2.79Å; S117-T120 PolarHBondContact O-N 3.06Å; S117-L121 PolarHBondContact O-N 2.95Å; S117-M122 WeakPolarHBondContact O-CB 3.24Å; S117-M122 VanDerWaalsContact O-CG 3.32Å; S117-M122 WeakPolarHBondContact O-CG 3.44Å; S117-M122 PolarHBondContact O-N 2.93Å
118	N	80.8	Confident	81.5	Confident	27 Å²	27	34.4 Å²	34.4	14%	0.144	17%	0.173	C	C	.	.	H	α-helix	trans	-63.2	-36.2	178.6	-82	-27.8	0	0	0	114.2	E114 V116 A123 R328	E114-N118 WeakPolarHBondContact O-CB 3.41Å; E114-N118 PolarHBondContact O-N 3.29Å; E114-N118 PolarHBondContact O-ND2 3.13Å; V116-N118 VanDerWaalsContact C-N 3.26Å; V116-N118 PolarHBondContact O-N 3.18Å; N118-A123 PolarHBondContact O-N 3.08Å; N118-R328 PolarHBondContact O-NH1 3.49Å; N118-R328 WeakPolarHBondContact OD1-CD 3.48Å
119	L	82.7	Confident	82.8	Confident	11 Å²	11	32 Å²	32	6%	0.058	16%	0.157	C	C	.	.	H	α-helix	trans	-92.2	-19	-179.8	-71.4	172.4	0	0	0	113.9	T115 V116 S117 T189 A231 V812	T115-L119 HydrophobicContact CG2-CD1 4.06Å; T115-L119 WeakPolarHBondContact O-CG 3.33Å; T115-L119 PolarHBondContact O-N 3.44Å; T115-L119 VanDerWaalsContact O-N 3.1Å; V116-L119 PolarHBondContact O-N 3.36Å; S117-L119 PolarHBondContact O-N 2.79Å; L119-T189 HydrophobicContact CD1-CG2 3.78Å; L119-T189 HydrophobicContact CD2-CG2 3.71Å; L119-T189 HydrophobicContact CG-CG2 4.34Å; L119-A231 HydrophobicContact CD1-CB 3.17Å; L119-V812 WeakPolarHBondContact O-CG2 3.31Å
120	T	86.7	Confident	84.1	Confident	20 Å²	20	29.8 Å²	29.8	12%	0.123	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-92.9	179.8	55.8	0	0	0	0	111.2	V116 S117 M122 L124 F224 V228	V116-T120 HydrophobicContact CG1-CG2 4.14Å; V116-T120 WeakPolarHBondContact O-CB 3.37Å; V116-T120 WeakPolarHBondContact O-CG2 3.39Å; V116-T120 PolarHBondContact O-N 3.45Å; V116-T120 PolarHBondContact O-OG1 3.36Å; S117-T120 PolarHBondContact O-N 3.06Å; T120-M122 PolarHBondContact O-N 3.38Å; T120-L124 VanDerWaalsContact O-CB 3.23Å; T120-L124 WeakPolarHBondContact O-CB 3.48Å; T120-L124 PolarHBondContact O-N 3.17Å; T120-F224 HydrophobicContact CG2-CZ 4.18Å; T120-V228 HydrophobicContact CG2-CB 4.23Å; T120-V228 HydrophobicContact CG2-CG1 3.67Å; T120-V228 HydrophobicContact CG2-CG2 3.46Å; T120-V228 VanDerWaalsContact CG2-CG2 3.46Å
121	L	84.3	Confident	85.2	Confident	20 Å²	20	24.7 Å²	24.7	11%	0.105	13%	0.125	C	C	.	.	H	α-helix	trans	-69.1	-37	-171.6	-66.6	174.9	0	0	0	112.2	I85 I88 T89 W112 S117 L124 G125 F740	I85-L121 WeakPolarHBondContact CD1-O 3.41Å; I85-L121 HydrophobicContact CG2-CB 3.67Å; I88-L121 HydrophobicContact CG2-CD1 3.83Å; T89-L121 HydrophobicContact CG2-CB 4.18Å; T89-L121 HydrophobicContact CG2-CD1 3.9Å; W112-L121 HydrophobicContact CH2-CD1 4.14Å; W112-L121 HydrophobicContact CZ2-CD1 4.12Å; S117-L121 PolarHBondContact O-N 2.95Å; L121-L124 PolarHBondContact O-N 3.31Å; L121-G125 PolarHBondContact O-N 3.33Å; L121-F740 HydrophobicContact CD2-CE2 4.23Å; L121-F740 HydrophobicContact CD2-CZ 4.21Å
122	M	83	Confident	86	Confident	1 Å²	1	21.7 Å²	21.7	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-69	-42.4	179.5	-66.6	-65.1	-179.8	0	0	112.8	M82 I85 E86 T89 S117 T120 G125 S126 A329	M82-M122 HydrophobicContact CE-SD 4.34Å; I85-M122 HydrophobicContact CG2-CE 3.88Å; I85-M122 HydrophobicContact CG2-CG 4.24Å; I85-M122 HydrophobicContact CG2-SD 3.53Å; I85-M122 VanDerWaalsContact CG2-SD 3.53Å; E86-M122 WeakPolarHBondContact OE2-CE 3.15Å; T89-M122 HydrophobicContact CG2-CE 4.35Å; T89-M122 WeakPolarHBondContact OG1-CE 3.21Å; S117-M122 WeakPolarHBondContact O-CB 3.24Å; S117-M122 VanDerWaalsContact O-CG 3.32Å; S117-M122 WeakPolarHBondContact O-CG 3.44Å; S117-M122 PolarHBondContact O-N 2.93Å; T120-M122 PolarHBondContact O-N 3.38Å; M122-G125 PolarHBondContact O-N 2.83Å; M122-S126 PolarHBondContact O-N 3.5Å; M122-S126 VanDerWaalsContact O-N 3.11Å; M122-A329 HydrophobicContact CE-CB 3.79Å; M122-A329 HydrophobicContact SD-CB 3.71Å
123	A	84.4	Confident	86.7	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-68.2	-41	175.8	0	0	0	0	0	111.1	N118 G125 S126 S127 V812	N118-A123 PolarHBondContact O-N 3.08Å; A123-G125 VanDerWaalsContact C-N 3.28Å; A123-G125 PolarHBondContact O-N 3.34Å; A123-S126 WeakPolarHBondContact O-CB 3.48Å; A123-S126 PolarHBondContact O-N 3.2Å; A123-S127 WeakPolarHBondContact O-CB 3.36Å; A123-S127 PolarHBondContact O-N 3.18Å; A123-S127 PolarHBondContact O-OG 3.02Å; A123-V812 HydrophobicContact CB-CB 4.35Å; A123-V812 HydrophobicContact CB-CG2 3.72Å
124	L	88.3	Confident	87.1	Confident	34 Å²	34	16.4 Å²	16.4	18%	0.178	9%	0.087	C	C	.	.	H	α-helix	trans	-58.6	-42.7	170.8	-177.3	157.4	0	0	0	111.4	F81 T120 L121 S126 S127 A128 F740 L816	F81-L124 HydrophobicContact CE1-CD2 3.94Å; F81-L124 HydrophobicContact CZ-CD2 3.56Å; T120-L124 VanDerWaalsContact O-CB 3.23Å; T120-L124 WeakPolarHBondContact O-CB 3.48Å; T120-L124 PolarHBondContact O-N 3.17Å; L121-L124 PolarHBondContact O-N 3.31Å; L124-S126 VanDerWaalsContact C-N 3.29Å; L124-S126 PolarHBondContact O-N 2.73Å; L124-S127 CarbonylContact O-C 3.44Å; L124-S127 PolarHBondContact O-N 3.43Å; L124-A128 WeakPolarHBondContact O-CA 3.23Å; L124-A128 WeakPolarHBondContact O-CB 3.49Å; L124-A128 PolarHBondContact O-N 3.08Å; L124-F740 HydrophobicContact CD2-CE2 4.43Å; L124-F740 HydrophobicContact CD2-CZ 4.38Å; L124-L816 HydrophobicContact CD1-CD2 3.64Å; L124-L816 HydrophobicContact CG-CD2 4.18Å
125	G	86	Confident	87.9	Confident	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-48.4	-51.7	171.9	0	0	0	0	0	112.8	F81 M82 L121 M122 A123 R332	F81-G125 VanDerWaalsContact CE1-CA 3.47Å; M82-G125 VanDerWaalsContact SD-CA 3.58Å; L121-G125 PolarHBondContact O-N 3.33Å; M122-G125 PolarHBondContact O-N 2.83Å; A123-G125 VanDerWaalsContact C-N 3.28Å; A123-G125 PolarHBondContact O-N 3.34Å; G125-R332 PolarHBondContact O-NH1 3.34Å; G125-R332 PolarHBondContact O-NH2 3.21Å
126	S	83.3	Confident	88.5	Confident	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.1	-52.1	177.8	164.3	0	0	0	0	112	M122 A123 L124 R332 D785 S809	M122-S126 PolarHBondContact O-N 3.5Å; M122-S126 VanDerWaalsContact O-N 3.11Å; A123-S126 WeakPolarHBondContact O-CB 3.48Å; A123-S126 PolarHBondContact O-N 3.2Å; L124-S126 VanDerWaalsContact C-N 3.29Å; L124-S126 PolarHBondContact O-N 2.73Å; S126-R332 VanDerWaalsContact CA-CZ 3.47Å; S126-R332 VanDerWaalsContact CA-NH1 3.28Å; S126-R332 PolarHBondContact O-NH2 3.33Å; S126-R332 VanDerWaalsContact O-NH2 3.08Å; S126-D785 WeakPolarHBondContact CB-OD1 3.19Å; S126-D785 PolarHBondContact OG-OD1 3.33Å; S126-D785 PolarHBondContact OG-OD2 3.28Å; S126-S809 WeakPolarHBondContact CB-OG 3.3Å; S126-S809 PolarHBondContact OG-OG 2.99Å
127	S	90.3	Very high	88.7	Confident	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-89.5	1.8	-170.4	-68	0	0	0	0	116.8	A123 L124 P129 E130 I131 S809 N813	A123-S127 WeakPolarHBondContact O-CB 3.36Å; A123-S127 PolarHBondContact O-N 3.18Å; A123-S127 PolarHBondContact O-OG 3.02Å; L124-S127 CarbonylContact O-C 3.44Å; L124-S127 PolarHBondContact O-N 3.43Å; S127-P129 VanDerWaalsContact C-CD 3.48Å; S127-E130 VanDerWaalsContact C-OE2 3.23Å; S127-E130 WeakPolarHBondContact CA-OE2 3.28Å; S127-E130 PolarHBondContact O-N 3.28Å; S127-E130 VanDerWaalsContact O-OE2 3.12Å; S127-I131 VanDerWaalsContact O-CG1 3.3Å; S127-I131 WeakPolarHBondContact O-CG1 3.35Å; S127-I131 PolarHBondContact O-N 2.93Å; S127-S809 WeakPolarHBondContact OG-CB 3.16Å; S127-S809 PolarHBondContact OG-O 2.99Å; S127-N813 WeakPolarHBondContact CB-OD1 3.47Å; S127-N813 PolarHBondContact OG-OD1 3.46Å
128	A	92.4	Very high	89.2	Confident	3 Å²	3	11.8 Å²	11.8	3%	0.025	6%	0.064	C	C	.	.	H	α-helix	trans	-56.7	-41.9	-172	0	0	0	0	0	113.6	F81 L124 E130 I131 L132	F81-A128 HydrophobicContact CD1-CB 4.27Å; F81-A128 HydrophobicContact CE1-CB 3.62Å; F81-A128 HydrophobicContact CZ-CB 4.45Å; L124-A128 WeakPolarHBondContact O-CA 3.23Å; L124-A128 WeakPolarHBondContact O-CB 3.49Å; L124-A128 PolarHBondContact O-N 3.08Å; A128-E130 VanDerWaalsContact C-N 3.34Å; A128-E130 PolarHBondContact O-N 3.39Å; A128-I131 PolarHBondContact O-N 2.86Å; A128-L132 HydrophobicContact CB-CD1 4.42Å; A128-L132 VanDerWaalsContact O-CB 3.25Å; A128-L132 WeakPolarHBondContact O-CB 3.36Å; A128-L132 WeakPolarHBondContact O-CD1 3.07Å; A128-L132 VanDerWaalsContact O-CG 3.24Å; A128-L132 WeakPolarHBondContact O-CG 3.41Å; A128-L132 PolarHBondContact O-N 3.03Å
129	P	92.3	Very high	89.7	Confident	2 Å²	2	14.8 Å²	14.8	1%	0.013	8%	0.079	C	C	.	.	H	α-helix	trans	-58.1	-42.9	177.7	-26.3	36.5	0	0	0	113.9	V74 S127 L133 I747 T751 T781	V74-P129 HydrophobicContact CG1-CB 4.13Å; V74-P129 HydrophobicContact CG1-CG 3.56Å; S127-P129 VanDerWaalsContact C-CD 3.48Å; P129-L133 VanDerWaalsContact O-CB 3.23Å; P129-L133 WeakPolarHBondContact O-CB 3.44Å; P129-L133 PolarHBondContact O-N 3.31Å; P129-I747 HydrophobicContact CG-CG2 4.28Å; P129-T751 HydrophobicContact CB-CG2 3.79Å; P129-T781 HydrophobicContact CB-CG2 3.84Å
130	E	93.2	Very high	89.9	Confident	1 Å²	1	15.9 Å²	15.9	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-70.6	-43.2	-179	-64.5	82.9	175	0	0	112.3	S127 A128 S134 T152 I153 S156 T781	S127-E130 VanDerWaalsContact C-OE2 3.23Å; S127-E130 WeakPolarHBondContact CA-OE2 3.28Å; S127-E130 PolarHBondContact O-N 3.28Å; S127-E130 VanDerWaalsContact O-OE2 3.12Å; A128-E130 VanDerWaalsContact C-N 3.34Å; A128-E130 PolarHBondContact O-N 3.39Å; E130-S134 PolarHBondContact O-N 3.28Å; E130-S134 VanDerWaalsContact O-N 3.14Å; E130-S134 PolarHBondContact O-OG 3.07Å; E130-T152 HydrophobicContact CG-CG2 4.08Å; E130-I153 HydrophobicContact CB-CG1 4.16Å; E130-S156 PolarHBondContact OE1-OG 3.44Å; E130-T781 WeakPolarHBondContact OE1-CB 3.49Å; E130-T781 PolarHBondContact OE1-OG1 2.91Å
131	I	93.7	Very high	89.9	Confident	13 Å²	13	17.9 Å²	17.9	7%	0.067	10%	0.1	C	C	.	.	H	α-helix	trans	-62.3	-49.8	177.2	-68.7	166.6	0	0	0	109.5	S127 A128 S134 V135 V812 L816	S127-I131 VanDerWaalsContact O-CG1 3.3Å; S127-I131 WeakPolarHBondContact O-CG1 3.35Å; S127-I131 PolarHBondContact O-N 2.93Å; A128-I131 PolarHBondContact O-N 2.86Å; I131-S134 PolarHBondContact O-N 3.4Å; I131-V135 WeakPolarHBondContact O-CG2 3.22Å; I131-V135 PolarHBondContact O-N 2.96Å; I131-V135 VanDerWaalsContact O-N 3.09Å; I131-V812 HydrophobicContact CD1-CG1 4.06Å; I131-L816 HydrophobicContact CD1-CB 4.49Å; I131-L816 HydrophobicContact CD1-CD2 4.01Å; I131-L816 HydrophobicContact CD1-CG 4.31Å
132	L	94.6	Very high	90.2	Very high	32 Å²	32	22.6 Å²	22.6	17%	0.168	13%	0.125	C	C	.	.	H	α-helix	trans	-66.8	-40.1	-178.5	-71.6	167	0	0	0	111.5	A128 S134 V135 I136 I744 I747	A128-L132 HydrophobicContact CB-CD1 4.42Å; A128-L132 VanDerWaalsContact O-CB 3.25Å; A128-L132 WeakPolarHBondContact O-CB 3.36Å; A128-L132 WeakPolarHBondContact O-CD1 3.07Å; A128-L132 VanDerWaalsContact O-CG 3.24Å; A128-L132 WeakPolarHBondContact O-CG 3.41Å; A128-L132 PolarHBondContact O-N 3.03Å; L132-S134 VanDerWaalsContact C-N 3.29Å; L132-S134 PolarHBondContact O-N 3.19Å; L132-V135 PolarHBondContact O-N 3.07Å; L132-I136 HydrophobicContact CB-CD1 4.29Å; L132-I136 VanDerWaalsContact O-CB 3.28Å; L132-I136 WeakPolarHBondContact O-CB 3.3Å; L132-I136 WeakPolarHBondContact O-CD1 2.95Å; L132-I136 WeakPolarHBondContact O-CG1 3.03Å; L132-I136 PolarHBondContact O-N 3.35Å; L132-I744 HydrophobicContact CD1-CG2 4.4Å; L132-I744 HydrophobicContact CD2-CG2 4.29Å; L132-I747 HydrophobicContact CD1-CB 3.97Å; L132-I747 HydrophobicContact CD1-CG2 3.56Å
133	L	94.1	Very high	90.6	Very high	8 Å²	8	24.6 Å²	24.6	4%	0.042	13%	0.134	C	C	.	.	H	α-helix	trans	-57.7	-43.7	175.3	-177.1	65.4	0	0	0	111.6	P129 E137 L148 T152 V777	P129-L133 VanDerWaalsContact O-CB 3.23Å; P129-L133 WeakPolarHBondContact O-CB 3.44Å; P129-L133 PolarHBondContact O-N 3.31Å; L133-E137 VanDerWaalsContact O-CB 3.28Å; L133-E137 WeakPolarHBondContact O-CB 3.27Å; L133-E137 PolarHBondContact O-N 3.3Å; L133-L148 HydrophobicContact CD1-CD2 4.18Å; L133-L148 HydrophobicContact CD2-CD2 4.46Å; L133-L148 HydrophobicContact CD2-CG 4.5Å; L133-T152 HydrophobicContact CD2-CG2 4.03Å; L133-T152 WeakPolarHBondContact CD2-OG1 3.42Å; L133-V777 HydrophobicContact CD2-CG1 3.88Å
134	S	91.9	Very high	90.8	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-67.9	-39.2	-179.7	-56.6	0	0	0	0	112.6	E130 I131 L132 I138 G149 I153	E130-S134 PolarHBondContact O-N 3.28Å; E130-S134 VanDerWaalsContact O-N 3.14Å; E130-S134 PolarHBondContact O-OG 3.07Å; I131-S134 PolarHBondContact O-N 3.4Å; L132-S134 VanDerWaalsContact C-N 3.29Å; L132-S134 PolarHBondContact O-N 3.19Å; S134-I138 WeakPolarHBondContact O-CD1 3.42Å; S134-I138 WeakPolarHBondContact O-CG1 3.38Å; S134-I138 PolarHBondContact O-N 2.84Å; S134-G149 WeakPolarHBondContact OG-CA 3.36Å; S134-G149 PolarHBondContact OG-O 3.4Å; S134-I153 WeakPolarHBondContact OG-CD1 3.46Å
135	V	94	Very high	90.7	Very high	20 Å²	20	30.7 Å²	30.7	12%	0.121	17%	0.167	C	C	.	.	H	α-helix	trans	-69.3	-44.4	176.5	173.4	0	0	0	0	111.2	I131 L132 I138 I139 L820 I824	I131-V135 WeakPolarHBondContact O-CG2 3.22Å; I131-V135 PolarHBondContact O-N 2.96Å; I131-V135 VanDerWaalsContact O-N 3.09Å; L132-V135 PolarHBondContact O-N 3.07Å; V135-I138 PolarHBondContact O-N 2.95Å; V135-I139 HydrophobicContact CG1-CD1 3.88Å; V135-I139 WeakPolarHBondContact O-CG1 3.39Å; V135-I139 PolarHBondContact O-N 2.92Å; V135-I139 VanDerWaalsContact O-N 3.13Å; V135-L820 HydrophobicContact CG2-CD2 4.16Å; V135-L820 HydrophobicContact CG2-CG 4.32Å; V135-I824 HydrophobicContact CG1-CD1 4.47Å
136	I	92.7	Very high	90.7	Very high	35 Å²	35	31 Å²	31	18%	0.179	17%	0.171	C	C	.	.	H	α-helix	trans	-68.3	-39.2	-178.5	-68.3	166.2	0	0	0	111	I40 L132 I138 I139 G140 G748 A752	I40-I136 HydrophobicContact CD1-CG2 3.97Å; L132-I136 HydrophobicContact CB-CD1 4.29Å; L132-I136 VanDerWaalsContact O-CB 3.28Å; L132-I136 WeakPolarHBondContact O-CB 3.3Å; L132-I136 WeakPolarHBondContact O-CD1 2.95Å; L132-I136 WeakPolarHBondContact O-CG1 3.03Å; L132-I136 PolarHBondContact O-N 3.35Å; I136-I138 VanDerWaalsContact C-N 3.33Å; I136-I138 PolarHBondContact O-N 2.91Å; I136-I139 PolarHBondContact O-N 3.3Å; I136-G140 PolarHBondContact O-N 2.9Å; I136-G748 WeakPolarHBondContact CD1-O 3.43Å; I136-A752 HydrophobicContact CD1-CB 4.29Å; I136-A752 HydrophobicContact CG2-CB 3.91Å
137	E	91.5	Very high	90.8	Very high	10 Å²	10	33.1 Å²	33.1	5%	0.047	18%	0.182	C	C	.	.	H	α-helix	trans	-59.1	-45.7	177.1	-177.9	179.5	-145.5	0	0	111.2	L133 G140 K141 G146 D147 L148 G149	L133-E137 VanDerWaalsContact O-CB 3.28Å; L133-E137 WeakPolarHBondContact O-CB 3.27Å; L133-E137 PolarHBondContact O-N 3.3Å; E137-G140 PolarHBondContact O-N 3.3Å; E137-K141 HydrophobicContact CG-CD 3.93Å; E137-K141 HydrophobicContact CG-CG 4.5Å; E137-K141 WeakPolarHBondContact O-CB 3.49Å; E137-K141 WeakPolarHBondContact O-CG 3.26Å; E137-K141 PolarHBondContact O-N 2.86Å; E137-K141 IonicContact OE1-NZ 3.64Å; E137-K141 PolarHBondContact OE1-NZ 3.27Å; E137-G146 VanDerWaalsContact CD-CA 3.45Å; E137-G146 VanDerWaalsContact OE1-CA 3.29Å; E137-G146 WeakPolarHBondContact OE1-CA 3.38Å; E137-D147 PolarHBondContact OE1-N 2.98Å; E137-L148 WeakPolarHBondContact OE1-CB 3.42Å; E137-L148 PolarHBondContact OE1-N 3.41Å; E137-L148 VanDerWaalsContact OE1-N 3.08Å; E137-L148 PolarHBondContact OE2-N 3.38Å; E137-G149 WeakPolarHBondContact OE2-CA 3.47Å; E137-G149 PolarHBondContact OE2-N 3.47Å
138	I	92.3	Very high	90.7	Very high	7 Å²	7	33.5 Å²	33.5	4%	0.036	18%	0.184	C	C	.	.	H	α-helix	trans	-61.5	-47.5	177.8	-71.1	170.9	0	0	0	110.5	S134 V135 I136 G140 K141 F143 G821 A825	S134-I138 WeakPolarHBondContact O-CD1 3.42Å; S134-I138 WeakPolarHBondContact O-CG1 3.38Å; S134-I138 PolarHBondContact O-N 2.84Å; V135-I138 PolarHBondContact O-N 2.95Å; I136-I138 VanDerWaalsContact C-N 3.33Å; I136-I138 PolarHBondContact O-N 2.91Å; I138-G140 VanDerWaalsContact C-N 3.34Å; I138-G140 PolarHBondContact O-N 3.38Å; I138-K141 PolarHBondContact O-N 3.11Å; I138-F143 HydrophobicContact CG2-CB 4.49Å; I138-F143 HydrophobicContact CG2-CD1 4.25Å; I138-F143 WeakPolarHBondContact O-CA 3.46Å; I138-F143 PolarHBondContact O-N 3.31Å; I138-G821 WeakPolarHBondContact CD1-O 3.1Å; I138-A825 HydrophobicContact CG2-CB 3.71Å
139	I	91.6	Very high	90.7	Very high	91 Å²	91	33.4 Å²	33.4	47%	0.467	18%	0.183	S	C	.	.	H	α-helix	trans	-64.1	-42	179	-65.9	169	0	0	0	110.8	V135 I136 K141 N142 F143	V135-I139 HydrophobicContact CG1-CD1 3.88Å; V135-I139 WeakPolarHBondContact O-CG1 3.39Å; V135-I139 PolarHBondContact O-N 2.92Å; V135-I139 VanDerWaalsContact O-N 3.13Å; I136-I139 PolarHBondContact O-N 3.3Å; I139-K141 PolarHBondContact O-N 3.41Å; I139-N142 PolarHBondContact O-N 3.3Å; I139-F143 HydrophobicContact CG1-CE1 4.47Å
140	G	87.3	Confident	90.7	Very high	33 Å²	33	33.7 Å²	33.7	34%	0.34	19%	0.185	S	C	.	.	H	α-helix	trans	-68.6	-30.4	-178.9	0	0	0	0	0	114	I136 E137 I138 N142	I136-G140 PolarHBondContact O-N 2.9Å; E137-G140 PolarHBondContact O-N 3.3Å; I138-G140 VanDerWaalsContact C-N 3.34Å; I138-G140 PolarHBondContact O-N 3.38Å; G140-N142 VanDerWaalsContact C-N 3.31Å; G140-N142 PolarHBondContact O-N 3.16Å
141	K	87.8	Confident	90.6	Very high	63 Å²	63	33.9 Å²	33.9	27%	0.274	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	29.1	176.3	-67.2	-178.7	175.5	171.1	0	113	E137 I138 I139 F143 E144	E137-K141 HydrophobicContact CG-CD 3.93Å; E137-K141 HydrophobicContact CG-CG 4.5Å; E137-K141 WeakPolarHBondContact O-CB 3.49Å; E137-K141 WeakPolarHBondContact O-CG 3.26Å; E137-K141 PolarHBondContact O-N 2.86Å; E137-K141 IonicContact OE1-NZ 3.64Å; E137-K141 PolarHBondContact OE1-NZ 3.27Å; I138-K141 PolarHBondContact O-N 3.11Å; I139-K141 PolarHBondContact O-N 3.41Å; K141-F143 VanDerWaalsContact C-N 3.27Å; K141-F143 PolarHBondContact O-N 3.06Å; K141-E144 HydrophobicContact CB-CB 4.43Å; K141-E144 VanDerWaalsContact O-CB 3.3Å; K141-E144 WeakPolarHBondContact O-CB 3.36Å; K141-E144 WeakPolarHBondContact O-CG 3.43Å; K141-E144 PolarHBondContact O-N 2.87Å
142	N	89.2	Confident	90.7	Very high	118 Å²	118	33.2 Å²	33.2	63%	0.631	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	37.4	-180	-65.6	-53.5	0	0	0	114.5	I139 G140 E144	I139-N142 PolarHBondContact O-N 3.3Å; G140-N142 VanDerWaalsContact C-N 3.31Å; G140-N142 PolarHBondContact O-N 3.16Å; N142-E144 PolarHBondContact O-N 2.83Å
143	F	91	Very high	90.6	Very high	44 Å²	44	31.7 Å²	31.7	19%	0.193	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	11	-176.5	-51.7	-91.2	0	0	0	115.1	I138 I139 K141 I824 A825 Y828 H829 F836	I138-F143 HydrophobicContact CG2-CB 4.49Å; I138-F143 HydrophobicContact CG2-CD1 4.25Å; I138-F143 WeakPolarHBondContact O-CA 3.46Å; I138-F143 PolarHBondContact O-N 3.31Å; I139-F143 HydrophobicContact CG1-CE1 4.47Å; K141-F143 VanDerWaalsContact C-N 3.27Å; K141-F143 PolarHBondContact O-N 3.06Å; F143-I824 HydrophobicContact CD1-CG2 4Å; F143-I824 HydrophobicContact CE1-CG2 3.62Å; F143-A825 HydrophobicContact CB-CB 4.4Å; F143-Y828 HydrophobicContact CB-CD1 3.43Å; F143-Y828 VanDerWaalsContact CB-CD1 3.43Å; F143-Y828 HydrophobicContact CB-CE1 3.73Å; F143-Y828 HydrophobicContact CB-CG 4.1Å; F143-Y828 HydrophobicContact CD1-CD1 4.25Å; F143-Y828 HydrophobicContact CD1-CG 4.05Å; F143-Y828 AromaticContact CD2-CD1 3.46Å; F143-Y828 HydrophobicContact CD2-CD1 3.46Å; F143-Y828 VanDerWaalsContact CD2-CD1 3.46Å; F143-Y828 AromaticContact CD2-CD2 3.75Å; F143-Y828 HydrophobicContact CD2-CD2 3.75Å; F143-Y828 AromaticContact CD2-CE1 3.28Å; F143-Y828 HydrophobicContact CD2-CE1 3.28Å; F143-Y828 AromaticContact CD2-CE2 3.61Å; F143-Y828 HydrophobicContact CD2-CE2 3.61Å; F143-Y828 AromaticContact CD2-CG 3.64Å; F143-Y828 HydrophobicContact CD2-CG 3.64Å; F143-Y828 AromaticContact CD2-CZ 3.29Å; F143-Y828 HydrophobicContact CE1-CG 4.39Å; F143-Y828 HydrophobicContact CE2-CD1 4.27Å; F143-Y828 AromaticContact CE2-CD2 3.69Å; F143-Y828 HydrophobicContact CE2-CD2 3.69Å; F143-Y828 HydrophobicContact CE2-CE1 4.1Å; F143-Y828 AromaticContact CE2-CE2 3.52Å; F143-Y828 HydrophobicContact CE2-CE2 3.52Å; F143-Y828 HydrophobicContact CE2-CG 4.02Å; F143-Y828 AromaticContact CE2-CZ 3.67Å; F143-Y828 AromaticContact CG-CD1 3.45Å; F143-Y828 HydrophobicContact CG-CD1 3.45Å; F143-Y828 VanDerWaalsContact CG-CD1 3.45Å; F143-Y828 HydrophobicContact CG-CD2 4.2Å; F143-Y828 AromaticContact CG-CE1 3.72Å; F143-Y828 HydrophobicContact CG-CE1 3.72Å; F143-Y828 HydrophobicContact CG-CE2 4.45Å; F143-Y828 AromaticContact CG-CG 3.65Å; F143-Y828 HydrophobicContact CG-CG 3.65Å; F143-Y828 HydrophobicContact CZ-CD2 4.09Å; F143-Y828 HydrophobicContact CZ-CE2 4.31Å; F143-Y828 HydrophobicContact CZ-CG 4.38Å; F143-H829 PolarHBondContact O-NE2 3.16Å; F143-H829 VanDerWaalsContact O-NE2 3.09Å; F143-F836 WeakPolarHBondContact O-CD2 3.47Å; F143-F836 WeakPolarHBondContact O-CE2 3.24Å
144	E	88.9	Confident	90.6	Very high	127 Å²	127	31.3 Å²	31.3	59%	0.593	17%	0.173	S	C	*	.			trans	-78.6	149.1	168.6	-60.7	-178.7	176.3	0	0	111.2	K141 N142	K141-E144 HydrophobicContact CB-CB 4.43Å; K141-E144 VanDerWaalsContact O-CB 3.3Å; K141-E144 WeakPolarHBondContact O-CB 3.36Å; K141-E144 WeakPolarHBondContact O-CG 3.43Å; K141-E144 PolarHBondContact O-N 2.87Å; N142-E144 PolarHBondContact O-N 2.83Å
145	A	86	Confident	90.8	Very high	35 Å²	35	31.2 Å²	31.2	29%	0.289	17%	0.172	S	C	.	.			trans	-72.2	130.8	179.1	0	0	0	0	0	110.9	F836 L837 V838	A145-F836 HydrophobicContact CB-CE2 3.85Å; A145-F836 HydrophobicContact CB-CZ 3.89Å; A145-L837 WeakPolarHBondContact CB-O 3.11Å; A145-V838 HydrophobicContact CB-CB 4.39Å; A145-V838 HydrophobicContact CB-CG1 4.44Å; A145-V838 HydrophobicContact CB-CG2 3.87Å
146	G	85.8	Confident	90.7	Very high	7 Å²	7	30.2 Å²	30.2	7%	0.072	17%	0.167	C	C	.	.			trans	-105.8	162.7	171.5	0	0	0	0	0	113	E137 P150	E137-G146 VanDerWaalsContact CD-CA 3.45Å; E137-G146 VanDerWaalsContact OE1-CA 3.29Å; E137-G146 WeakPolarHBondContact OE1-CA 3.38Å; G146-P150 VanDerWaalsContact O-CD 3.25Å; G146-P150 WeakPolarHBondContact O-CD 3.27Å; G146-P150 WeakPolarHBondContact O-CG 3.3Å
147	D	87.3	Confident	90.8	Very high	43 Å²	43	28.6 Å²	28.6	23%	0.23	16%	0.158	C	C	.	.	S	Bend	trans	-89.1	-18	179.9	-74.4	-22.3	0	0	0	112.3	R33 E137 G151 D769 A770	R33-D147 IonicContact CZ-OD2 3.78Å; R33-D147 IonicContact NH1-OD1 3.55Å; R33-D147 IonicContact NH1-OD2 2.68Å; R33-D147 PolarHBondContact NH1-OD2 2.84Å; E137-D147 PolarHBondContact OE1-N 2.98Å; D147-G151 WeakPolarHBondContact O-CA 3.5Å; D147-G151 PolarHBondContact O-N 3.33Å; D147-G151 VanDerWaalsContact O-N 3.08Å; D147-D769 HydrophobicContact CB-CB 4.39Å; D147-A770 HydrophobicContact CB-CB 4.27Å
148	L	88.3	Confident	91	Very high	9 Å²	9	28.1 Å²	28.1	5%	0.047	16%	0.156	C	C	.	.	H	α-helix	trans	-77	-46.7	-170.2	-166.9	79.8	0	0	0	112.2	L133 E137 T152 D769 A773	L133-L148 HydrophobicContact CD1-CD2 4.18Å; L133-L148 HydrophobicContact CD2-CD2 4.46Å; L133-L148 HydrophobicContact CD2-CG 4.5Å; E137-L148 WeakPolarHBondContact OE1-CB 3.42Å; E137-L148 PolarHBondContact OE1-N 3.41Å; E137-L148 VanDerWaalsContact OE1-N 3.08Å; E137-L148 PolarHBondContact OE2-N 3.38Å; L148-T152 VanDerWaalsContact O-CB 3.29Å; L148-T152 WeakPolarHBondContact O-CB 3.33Å; L148-T152 PolarHBondContact O-N 3.39Å; L148-T152 PolarHBondContact O-OG1 3.07Å; L148-D769 HydrophobicContact CD1-CB 4.27Å; L148-A773 HydrophobicContact CD1-CB 3.92Å; L148-A773 HydrophobicContact CG-CB 4.38Å; L148-A773 VanDerWaalsContact O-CB 3.3Å; L148-A773 WeakPolarHBondContact O-CB 3.46Å
149	G	91.1	Very high	91.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.5	-59.8	179.7	0	0	0	0	0	111.9	S134 E137 G151 T152 I153	S134-G149 WeakPolarHBondContact OG-CA 3.36Å; S134-G149 PolarHBondContact OG-O 3.4Å; E137-G149 WeakPolarHBondContact OE2-CA 3.47Å; E137-G149 PolarHBondContact OE2-N 3.47Å; G149-G151 VanDerWaalsContact C-N 3.31Å; G149-G151 PolarHBondContact O-N 3.49Å; G149-T152 WeakPolarHBondContact O-CB 3.5Å; G149-T152 PolarHBondContact O-N 2.85Å; G149-T152 VanDerWaalsContact O-N 3.07Å; G149-I153 PolarHBondContact O-N 2.91Å
150	P	92.2	Very high	91.2	Very high	9 Å²	9	24 Å²	24	6%	0.058	13%	0.134	C	C	.	.	H	α-helix	trans	-57.2	-41.5	175.1	-24.6	34.6	0	0	0	113.2	G146 T152 I153 V154 I818 L843	G146-P150 VanDerWaalsContact O-CD 3.25Å; G146-P150 WeakPolarHBondContact O-CD 3.27Å; G146-P150 WeakPolarHBondContact O-CG 3.3Å; P150-T152 VanDerWaalsContact C-N 3.31Å; P150-T152 PolarHBondContact O-N 3.37Å; P150-I153 PolarHBondContact O-N 3.41Å; P150-V154 WeakPolarHBondContact O-CG2 3.28Å; P150-V154 PolarHBondContact O-N 2.97Å; P150-V154 VanDerWaalsContact O-N 3.07Å; P150-I818 HydrophobicContact CB-CD1 4.02Å; P150-I818 HydrophobicContact CG-CD1 3.92Å; P150-L843 HydrophobicContact CB-CD1 3.76Å; P150-L843 HydrophobicContact CB-CD2 3.83Å; P150-L843 HydrophobicContact CB-CG 4.47Å
151	G	92.2	Very high	91.5	Very high	4 Å²	4	22.6 Å²	22.6	4%	0.041	12%	0.119	C	C	.	.	H	α-helix	trans	-60.7	-38.9	175.1	0	0	0	0	0	112.8	D147 G149 G155 I774	D147-G151 WeakPolarHBondContact O-CA 3.5Å; D147-G151 PolarHBondContact O-N 3.33Å; D147-G151 VanDerWaalsContact O-N 3.08Å; G149-G151 VanDerWaalsContact C-N 3.31Å; G149-G151 PolarHBondContact O-N 3.49Å; G151-G155 PolarHBondContact O-N 3.06Å; G151-I774 VanDerWaalsContact O-CG1 3.26Å; G151-I774 WeakPolarHBondContact O-CG1 3.12Å
152	T	94.1	Very high	91.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-68.5	-43.5	177.2	-59.1	0	0	0	0	110.3	E130 L133 L148 G149 P150 V154 G155 S156 A773 V777	E130-T152 HydrophobicContact CG-CG2 4.08Å; L133-T152 HydrophobicContact CD2-CG2 4.03Å; L133-T152 WeakPolarHBondContact CD2-OG1 3.42Å; L148-T152 VanDerWaalsContact O-CB 3.29Å; L148-T152 WeakPolarHBondContact O-CB 3.33Å; L148-T152 PolarHBondContact O-N 3.39Å; L148-T152 PolarHBondContact O-OG1 3.07Å; G149-T152 WeakPolarHBondContact O-CB 3.5Å; G149-T152 PolarHBondContact O-N 2.85Å; G149-T152 VanDerWaalsContact O-N 3.07Å; P150-T152 VanDerWaalsContact C-N 3.31Å; P150-T152 PolarHBondContact O-N 3.37Å; T152-V154 PolarHBondContact O-N 3.44Å; T152-G155 PolarHBondContact O-N 2.72Å; T152-S156 VanDerWaalsContact O-CB 3.29Å; T152-S156 WeakPolarHBondContact O-CB 3.18Å; T152-S156 PolarHBondContact O-N 2.84Å; T152-S156 PolarHBondContact O-OG 3.31Å; T152-S156 VanDerWaalsContact O-OG 3.08Å; T152-A773 WeakPolarHBondContact OG1-CB 3.2Å; T152-V777 HydrophobicContact CG2-CB 4.29Å; T152-V777 HydrophobicContact CG2-CG1 3.78Å
153	I	94.2	Very high	92.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-58.6	-48.3	177.9	-78.2	173.1	0	0	0	111.6	E130 S134 G149 P150 A157 Y197 N813 V814 I818	E130-I153 HydrophobicContact CB-CG1 4.16Å; S134-I153 WeakPolarHBondContact OG-CD1 3.46Å; G149-I153 PolarHBondContact O-N 2.91Å; P150-I153 PolarHBondContact O-N 3.41Å; I153-A157 WeakPolarHBondContact O-CB 3.47Å; I153-A157 PolarHBondContact O-N 3.45Å; I153-Y197 HydrophobicContact CG2-CE1 4.25Å; I153-N813 WeakPolarHBondContact CD1-O 3.41Å; I153-N813 HydrophobicContact CG1-CB 4.33Å; I153-N813 HydrophobicContact CG2-CB 3.83Å; I153-V814 HydrophobicContact CG2-CG2 4.1Å; I153-I818 HydrophobicContact CD1-CD1 3.68Å; I153-I818 HydrophobicContact CD1-CG1 3.69Å; I153-I818 HydrophobicContact CG2-CG1 4.42Å
154	V	94.3	Very high	92.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-71.1	-40.5	-179.5	-173.8	0	0	0	0	111.1	P150 T152 A157 A158 Y197 M200 L843 S846 V847 Y894	P150-V154 WeakPolarHBondContact O-CG2 3.28Å; P150-V154 PolarHBondContact O-N 2.97Å; P150-V154 VanDerWaalsContact O-N 3.07Å; T152-V154 PolarHBondContact O-N 3.44Å; V154-A157 WeakPolarHBondContact O-CB 3.49Å; V154-A157 PolarHBondContact O-N 3.21Å; V154-A158 PolarHBondContact O-N 3.01Å; V154-Y197 HydrophobicContact CG2-CD1 4.34Å; V154-Y197 HydrophobicContact CG2-CE1 4.25Å; V154-M200 HydrophobicContact CG2-CE 4.11Å; V154-L843 HydrophobicContact CG2-CD1 4.01Å; V154-S846 WeakPolarHBondContact CG1-OG 3.42Å; V154-V847 HydrophobicContact CG1-CG2 4.18Å; V154-V847 HydrophobicContact CG2-CG2 3.62Å; V154-Y894 WeakPolarHBondContact CG1-OH 3.47Å
155	G	94.3	Very high	92.6	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-59.3	-46.8	174.2	0	0	0	0	0	113.2	G151 T152 A157 A158 F159 A778	G151-G155 PolarHBondContact O-N 3.06Å; T152-G155 PolarHBondContact O-N 2.72Å; G155-A157 VanDerWaalsContact C-N 3.32Å; G155-A157 PolarHBondContact O-N 3.16Å; G155-A158 PolarHBondContact O-N 3.35Å; G155-F159 WeakPolarHBondContact O-CB 3.29Å; G155-F159 PolarHBondContact O-N 3.39Å; G155-A778 VanDerWaalsContact C-CB 3.43Å
156	S	93.5	Very high	93.1	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-64.7	-38.8	177.6	-68.1	0	0	0	0	110.6	E130 T152 A158 F159 N160 A778 T781 S782	E130-S156 PolarHBondContact OE1-OG 3.44Å; T152-S156 VanDerWaalsContact O-CB 3.29Å; T152-S156 WeakPolarHBondContact O-CB 3.18Å; T152-S156 PolarHBondContact O-N 2.84Å; T152-S156 PolarHBondContact O-OG 3.31Å; T152-S156 VanDerWaalsContact O-OG 3.08Å; S156-A158 VanDerWaalsContact C-N 3.34Å; S156-A158 PolarHBondContact O-N 3.42Å; S156-F159 PolarHBondContact O-N 2.85Å; S156-N160 WeakPolarHBondContact O-CB 3.48Å; S156-N160 PolarHBondContact O-N 2.92Å; S156-N160 PolarHBondContact O-OD1 3.29Å; S156-A778 VanDerWaalsContact N-CB 3.31Å; S156-A778 VanDerWaalsContact OG-CA 3.32Å; S156-A778 WeakPolarHBondContact OG-CA 3.22Å; S156-A778 PolarHBondContact OG-O 3.17Å; S156-T781 PolarHBondContact OG-OG1 3.43Å; S156-S782 WeakPolarHBondContact CB-OG 3.47Å; S156-S782 PolarHBondContact OG-OG 3.42Å
157	A	94.3	Very high	93.5	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-61.3	-41.9	176.2	0	0	0	0	0	113.1	I153 V154 G155 L161 Y197 N810 Y850	I153-A157 WeakPolarHBondContact O-CB 3.47Å; I153-A157 PolarHBondContact O-N 3.45Å; V154-A157 WeakPolarHBondContact O-CB 3.49Å; V154-A157 PolarHBondContact O-N 3.21Å; G155-A157 VanDerWaalsContact C-N 3.32Å; G155-A157 PolarHBondContact O-N 3.16Å; A157-L161 WeakPolarHBondContact O-CB 3.26Å; A157-L161 PolarHBondContact O-N 2.86Å; A157-Y197 HydrophobicContact CB-CE1 3.67Å; A157-Y197 HydrophobicContact CB-CE2 4.06Å; A157-Y197 WeakPolarHBondContact CB-OH 3.4Å; A157-N810 PolarHBondContact O-ND2 3.35Å; A157-Y850 HydrophobicContact CB-CE1 4.35Å; A157-Y850 HydrophobicContact CB-CE2 3.97Å; A157-Y850 WeakPolarHBondContact O-CE2 3.47Å
158	A	95.4	Very high	93.8	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-64.9	-47.1	174.5	0	0	0	0	0	111.2	V154 G155 S156 N160 L161 F162 Y850 Y894	V154-A158 PolarHBondContact O-N 3.01Å; G155-A158 PolarHBondContact O-N 3.35Å; S156-A158 VanDerWaalsContact C-N 3.34Å; S156-A158 PolarHBondContact O-N 3.42Å; A158-N160 PolarHBondContact O-N 2.74Å; A158-L161 PolarHBondContact O-N 3.3Å; A158-F162 HydrophobicContact CB-CD2 3.99Å; A158-F162 HydrophobicContact CB-CE2 3.78Å; A158-F162 VanDerWaalsContact O-CB 3.25Å; A158-F162 WeakPolarHBondContact O-CB 3.39Å; A158-F162 WeakPolarHBondContact O-CD2 3.43Å; A158-F162 WeakPolarHBondContact O-CG 3.49Å; A158-F162 PolarHBondContact O-N 3.46Å; A158-Y850 HydrophobicContact CB-CD2 3.83Å; A158-Y850 HydrophobicContact CB-CE2 4.27Å; A158-Y894 HydrophobicContact CB-CD1 3.65Å; A158-Y894 HydrophobicContact CB-CE1 3.41Å; A158-Y894 VanDerWaalsContact CB-CE1 3.41Å; A158-Y894 HydrophobicContact CB-CE2 4.48Å; A158-Y894 HydrophobicContact CB-CG 4.3Å
159	F	95.6	Very high	94.1	Very high	11 Å²	11	3.2 Å²	3.2	5%	0.048	2%	0.019	C	C	.	.	I	π-helix	trans	-61.9	-45	178.1	-172.9	-94.8	0	0	0	112	G155 S156 V163 I164 L779 S782 T786 W891	G155-F159 WeakPolarHBondContact O-CB 3.29Å; G155-F159 PolarHBondContact O-N 3.39Å; S156-F159 PolarHBondContact O-N 2.85Å; F159-V163 HydrophobicContact CD2-CB 3.75Å; F159-V163 HydrophobicContact CD2-CG1 4.15Å; F159-V163 HydrophobicContact CD2-CG2 3.68Å; F159-V163 HydrophobicContact CE1-CB 4.45Å; F159-V163 HydrophobicContact CE1-CG1 4.33Å; F159-V163 HydrophobicContact CE2-CB 3.63Å; F159-V163 HydrophobicContact CE2-CG1 3.48Å; F159-V163 VanDerWaalsContact CE2-CG1 3.48Å; F159-V163 HydrophobicContact CE2-CG2 3.77Å; F159-V163 HydrophobicContact CG-CB 4.21Å; F159-V163 HydrophobicContact CG-CG2 4.45Å; F159-V163 HydrophobicContact CZ-CB 4.01Å; F159-V163 HydrophobicContact CZ-CG1 3.59Å; F159-V163 WeakPolarHBondContact O-CA 3.28Å; F159-V163 WeakPolarHBondContact O-CB 3.38Å; F159-V163 PolarHBondContact O-N 3.18Å; F159-I164 HydrophobicContact CD1-CD1 4.32Å; F159-I164 HydrophobicContact CD1-CG1 4.09Å; F159-I164 HydrophobicContact CE1-CD1 4.38Å; F159-I164 HydrophobicContact CE1-CG1 3.99Å; F159-I164 PolarHBondContact O-N 2.98Å; F159-I164 VanDerWaalsContact O-N 3.09Å; F159-L779 HydrophobicContact CD2-CD1 4.01Å; F159-L779 HydrophobicContact CE1-CD1 4.26Å; F159-L779 HydrophobicContact CE2-CD1 3.23Å; F159-L779 HydrophobicContact CZ-CD1 3.39Å; F159-S782 VanDerWaalsContact CD1-CB 3.42Å; F159-T786 VanDerWaalsContact CE1-OG1 3.31Å; F159-T786 WeakPolarHBondContact CE1-OG1 3.4Å; F159-W891 AromaticContact CD2-CE2 3.77Å; F159-W891 AromaticContact CD2-CZ2 3.84Å; F159-W891 HydrophobicContact CD2-CZ2 3.84Å; F159-W891 AromaticContact CD2-NE1 3.66Å; F159-W891 HydrophobicContact CE2-CZ2 4.23Å
160	N	92.7	Very high	94.2	Very high	1 Å²	1	5.4 Å²	5.4	1%	0.005	3%	0.032	C	C	.	.	I	π-helix	trans	-61	-49.6	177.8	-72.3	-7.5	0	0	0	111.7	S156 A158 I164 S782 V806 N810	S156-N160 WeakPolarHBondContact O-CB 3.48Å; S156-N160 PolarHBondContact O-N 2.92Å; S156-N160 PolarHBondContact O-OD1 3.29Å; A158-N160 PolarHBondContact O-N 2.74Å; N160-I164 HydrophobicContact CB-CD1 4.2Å; N160-I164 WeakPolarHBondContact O-CB 3.39Å; N160-I164 WeakPolarHBondContact OD1-CD1 3.37Å; N160-S782 WeakPolarHBondContact OD1-CB 3.41Å; N160-S782 PolarHBondContact OD1-OG 3.12Å; N160-V806 VanDerWaalsContact C-CG1 3.5Å; N160-V806 HydrophobicContact CB-CG1 3.98Å; N160-V806 HydrophobicContact CB-CG2 4.48Å; N160-V806 VanDerWaalsContact O-CG1 3.31Å; N160-V806 WeakPolarHBondContact O-CG1 3.5Å; N160-N810 WeakPolarHBondContact CB-OD1 3.32Å; N160-N810 PolarHBondContact ND2-OD1 2.83Å
161	L	94.1	Very high	94.1	Very high	4 Å²	4	6.8 Å²	6.8	2%	0.021	4%	0.041	C	C	.	.	I	π-helix	trans	-73.2	-35.3	-176.8	-172.7	60.3	0	0	0	113.2	A157 A158 I165 V806 Y850 A854 A857	A157-L161 WeakPolarHBondContact O-CB 3.26Å; A157-L161 PolarHBondContact O-N 2.86Å; A158-L161 PolarHBondContact O-N 3.3Å; L161-I165 WeakPolarHBondContact O-CB 3.05Å; L161-I165 VanDerWaalsContact O-CG1 3.22Å; L161-I165 WeakPolarHBondContact O-CG1 3.48Å; L161-V806 HydrophobicContact CB-CG1 4.49Å; L161-V806 HydrophobicContact CD1-CG1 4.37Å; L161-Y850 HydrophobicContact CD2-CE2 4.35Å; L161-A854 HydrophobicContact CD2-CB 3.43Å; L161-A854 VanDerWaalsContact CD2-CB 3.43Å; L161-A857 HydrophobicContact CD2-CB 4.37Å; L161-A857 HydrophobicContact CG-CB 4.28Å
162	F	96	Very high	94	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.039	C	C	.	.	I	π-helix	trans	-94.7	-58.6	-173.8	-53.3	-34.3	0	0	0	112	A158 G166 Y850 F853 A857 L887 W891	A158-F162 HydrophobicContact CB-CD2 3.99Å; A158-F162 HydrophobicContact CB-CE2 3.78Å; A158-F162 VanDerWaalsContact O-CB 3.25Å; A158-F162 WeakPolarHBondContact O-CB 3.39Å; A158-F162 WeakPolarHBondContact O-CD2 3.43Å; A158-F162 WeakPolarHBondContact O-CG 3.49Å; A158-F162 PolarHBondContact O-N 3.46Å; F162-G166 PolarHBondContact O-N 3.28Å; F162-Y850 HydrophobicContact CE2-CD2 4.23Å; F162-Y850 HydrophobicContact CZ-CD2 4.05Å; F162-Y850 HydrophobicContact CZ-CE2 4.25Å; F162-F853 HydrophobicContact CE1-CB 4.1Å; F162-F853 HydrophobicContact CE2-CB 4.18Å; F162-F853 HydrophobicContact CZ-CB 3.51Å; F162-A857 HydrophobicContact CD1-CB 3.88Å; F162-A857 HydrophobicContact CE1-CB 3.77Å; F162-L887 WeakPolarHBondContact O-CB 3.33Å; F162-W891 HydrophobicContact CB-CB 3.86Å; F162-W891 HydrophobicContact CD2-CB 4.01Å; F162-W891 HydrophobicContact CG-CB 4.39Å
163	V	95.7	Very high	93.7	Very high	8 Å²	8	9 Å²	9	5%	0.048	6%	0.055	C	C	.	.	I	π-helix	trans	-75.6	-49.9	-172.7	176.7	0	0	0	0	110.8	F159 I165 G166 V167 F888 W891	F159-V163 HydrophobicContact CD2-CB 3.75Å; F159-V163 HydrophobicContact CD2-CG1 4.15Å; F159-V163 HydrophobicContact CD2-CG2 3.68Å; F159-V163 HydrophobicContact CE1-CB 4.45Å; F159-V163 HydrophobicContact CE1-CG1 4.33Å; F159-V163 HydrophobicContact CE2-CB 3.63Å; F159-V163 HydrophobicContact CE2-CG1 3.48Å; F159-V163 VanDerWaalsContact CE2-CG1 3.48Å; F159-V163 HydrophobicContact CE2-CG2 3.77Å; F159-V163 HydrophobicContact CG-CB 4.21Å; F159-V163 HydrophobicContact CG-CG2 4.45Å; F159-V163 HydrophobicContact CZ-CB 4.01Å; F159-V163 HydrophobicContact CZ-CG1 3.59Å; F159-V163 WeakPolarHBondContact O-CA 3.28Å; F159-V163 WeakPolarHBondContact O-CB 3.38Å; F159-V163 PolarHBondContact O-N 3.18Å; V163-I165 PolarHBondContact O-N 2.74Å; V163-G166 CarbonylContact O-C 3.59Å; V163-G166 WeakPolarHBondContact O-CA 3.44Å; V163-G166 PolarHBondContact O-N 2.86Å; V163-G166 VanDerWaalsContact O-N 3.14Å; V163-V167 HydrophobicContact CG1-CG2 4.38Å; V163-V167 WeakPolarHBondContact O-CG2 3.14Å; V163-V167 PolarHBondContact O-N 3.5Å; V163-F888 HydrophobicContact CB-CE1 4.39Å; V163-F888 HydrophobicContact CG1-CD1 4.42Å; V163-F888 HydrophobicContact CG1-CE1 3.6Å; V163-F888 HydrophobicContact CG1-CZ 3.78Å; V163-F888 HydrophobicContact CG2-CD1 4.27Å; V163-F888 HydrophobicContact CG2-CE1 4.24Å; V163-W891 HydrophobicContact CG2-CB 3.88Å; V163-W891 HydrophobicContact CG2-CD2 3.58Å; V163-W891 HydrophobicContact CG2-CE3 4.06Å; V163-W891 HydrophobicContact CG2-CG 3.5Å; V163-W891 VanDerWaalsContact CG2-CG 3.5Å
164	I	94.3	Very high	93.3	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.076	C	C	.	.	I	π-helix	trans	-63.3	-45.1	-177.3	-58.3	-175.5	0	0	0	110.8	F159 N160 G166 V167 C168 D785 T786 S789 V806	F159-I164 HydrophobicContact CD1-CD1 4.32Å; F159-I164 HydrophobicContact CD1-CG1 4.09Å; F159-I164 HydrophobicContact CE1-CD1 4.38Å; F159-I164 HydrophobicContact CE1-CG1 3.99Å; F159-I164 PolarHBondContact O-N 2.98Å; F159-I164 VanDerWaalsContact O-N 3.09Å; N160-I164 HydrophobicContact CB-CD1 4.2Å; N160-I164 WeakPolarHBondContact O-CB 3.39Å; N160-I164 WeakPolarHBondContact OD1-CD1 3.37Å; I164-G166 VanDerWaalsContact C-N 3.33Å; I164-G166 PolarHBondContact O-N 3.47Å; I164-V167 PolarHBondContact O-N 3.45Å; I164-C168 WeakPolarHBondContact O-CB 3.08Å; I164-C168 PolarHBondContact O-N 3.24Å; I164-C168 PolarHBondContact O-SG 3.41Å; I164-D785 HydrophobicContact CD1-CB 3.79Å; I164-T786 HydrophobicContact CG1-CG2 4.37Å; I164-T786 WeakPolarHBondContact CG1-OG1 3.33Å; I164-S789 VanDerWaalsContact CG2-CB 3.42Å; I164-V806 HydrophobicContact CB-CG2 4.2Å; I164-V806 HydrophobicContact CG2-CG2 3.87Å
165	I	93.9	Very high	92.8	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-63.3	-40.7	174.8	-58.1	-54.7	0	0	0	111.3	L161 V163 V167 C168 I169 I803 V806 I861 L873 L887	L161-I165 WeakPolarHBondContact O-CB 3.05Å; L161-I165 VanDerWaalsContact O-CG1 3.22Å; L161-I165 WeakPolarHBondContact O-CG1 3.48Å; V163-I165 PolarHBondContact O-N 2.74Å; I165-V167 VanDerWaalsContact C-N 3.32Å; I165-V167 PolarHBondContact O-N 2.88Å; I165-C168 WeakPolarHBondContact O-CB 3.33Å; I165-C168 PolarHBondContact O-N 3.44Å; I165-I169 HydrophobicContact CG2-CD1 4.16Å; I165-I169 HydrophobicContact CG2-CG1 4.48Å; I165-I169 WeakPolarHBondContact O-CG1 3.47Å; I165-I169 PolarHBondContact O-N 2.84Å; I165-I803 HydrophobicContact CD1-CG1 4.09Å; I165-V806 HydrophobicContact CD1-CB 4.08Å; I165-V806 HydrophobicContact CD1-CG1 4.16Å; I165-V806 HydrophobicContact CD1-CG2 3.9Å; I165-V806 HydrophobicContact CG1-CG1 4.24Å; I165-I861 HydrophobicContact CG2-CD1 3.95Å; I165-I861 HydrophobicContact CG2-CG1 4.18Å; I165-L873 HydrophobicContact CG2-CD2 4.49Å; I165-L887 HydrophobicContact CB-CD1 4.32Å; I165-L887 HydrophobicContact CG2-CD1 4.02Å
166	G	95.1	Very high	92.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-57.1	-44	173.7	0	0	0	0	0	112.7	F162 V163 I164 I169 V170 A884	F162-G166 PolarHBondContact O-N 3.28Å; V163-G166 CarbonylContact O-C 3.59Å; V163-G166 WeakPolarHBondContact O-CA 3.44Å; V163-G166 PolarHBondContact O-N 2.86Å; V163-G166 VanDerWaalsContact O-N 3.14Å; I164-G166 VanDerWaalsContact C-N 3.33Å; I164-G166 PolarHBondContact O-N 3.47Å; G166-I169 PolarHBondContact O-N 2.9Å; G166-V170 WeakPolarHBondContact O-CG2 3.24Å; G166-V170 PolarHBondContact O-N 3.45Å; G166-A884 WeakPolarHBondContact O-CB 3.45Å
167	V	94.7	Very high	92.3	Very high	29 Å²	29	23.4 Å²	23.4	18%	0.176	15%	0.149	C	C	.	.	H	α-helix	trans	-62.7	-48.1	173.2	172.4	0	0	0	0	110.4	V163 I164 I165 I169 V170 V171 K790 F888	V163-V167 HydrophobicContact CG1-CG2 4.38Å; V163-V167 WeakPolarHBondContact O-CG2 3.14Å; V163-V167 PolarHBondContact O-N 3.5Å; I164-V167 PolarHBondContact O-N 3.45Å; I165-V167 VanDerWaalsContact C-N 3.32Å; I165-V167 PolarHBondContact O-N 2.88Å; V167-I169 PolarHBondContact O-N 3.49Å; V167-V170 PolarHBondContact O-N 3.28Å; V167-V171 HydrophobicContact CG1-CG1 3.82Å; V167-V171 WeakPolarHBondContact O-CG1 3.21Å; V167-V171 VanDerWaalsContact O-CG2 3.3Å; V167-V171 WeakPolarHBondContact O-CG2 3.26Å; V167-V171 PolarHBondContact O-N 3.24Å; V167-K790 HydrophobicContact CG1-CB 4.36Å; V167-F888 HydrophobicContact CG2-CE2 4.35Å; V167-F888 HydrophobicContact CG2-CZ 3.87Å
168	C	94	Very high	92.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-57.9	-34.7	178.6	-67.3	0	0	0	0	112.4	I164 I165 V172 S789 A793 L873	I164-C168 WeakPolarHBondContact O-CB 3.08Å; I164-C168 PolarHBondContact O-N 3.24Å; I164-C168 PolarHBondContact O-SG 3.41Å; I165-C168 WeakPolarHBondContact O-CB 3.33Å; I165-C168 PolarHBondContact O-N 3.44Å; C168-V172 WeakPolarHBondContact O-CG2 3.5Å; C168-S789 VanDerWaalsContact SG-C 3.58Å; C168-S789 PolarHBondContact SG-O 2.76Å; C168-A793 HydrophobicContact CB-CB 4.04Å; C168-L873 HydrophobicContact CB-CD1 4.13Å; C168-L873 HydrophobicContact CB-CD2 3.95Å
169	I	93.9	Very high	91.8	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-65.3	-42.8	173.8	-69.7	166.6	0	0	0	110.8	I165 G166 V167 L873 K880 A884 L887	I165-I169 HydrophobicContact CG2-CD1 4.16Å; I165-I169 HydrophobicContact CG2-CG1 4.48Å; I165-I169 WeakPolarHBondContact O-CG1 3.47Å; I165-I169 PolarHBondContact O-N 2.84Å; G166-I169 PolarHBondContact O-N 2.9Å; V167-I169 PolarHBondContact O-N 3.49Å; I169-L873 HydrophobicContact CG1-CD2 3.71Å; I169-K880 HydrophobicContact CG2-CB 4.34Å; I169-K880 HydrophobicContact CG2-CG 3.88Å; I169-K880 WeakPolarHBondContact CG2-O 3.23Å; I169-K880 WeakPolarHBondContact O-CE 3.45Å; I169-K880 VanDerWaalsContact O-CG 3.32Å; I169-K880 WeakPolarHBondContact O-CG 3.3Å; I169-A884 HydrophobicContact CG2-CB 4.44Å; I169-L887 HydrophobicContact CD1-CD1 3.81Å
170	V	92.9	Very high	91.3	Very high	45 Å²	45	30.4 Å²	30.4	27%	0.273	18%	0.176	S	C	.	.	H	α-helix	trans	-78.5	-29.6	-174.1	177.7	0	0	0	0	113.6	G166 V167 K880 Y881 A884	G166-V170 WeakPolarHBondContact O-CG2 3.24Å; G166-V170 PolarHBondContact O-N 3.45Å; V167-V170 PolarHBondContact O-N 3.28Å; V170-K880 WeakPolarHBondContact O-CE 3.22Å; V170-K880 PolarHBondContact O-NZ 2.95Å; V170-Y881 HydrophobicContact CG1-CE1 3.93Å; V170-Y881 HydrophobicContact CG2-CD1 4.42Å; V170-A884 HydrophobicContact CG2-CB 3.3Å
171	V	91	Very high	90.7	Very high	38 Å²	38	36.5 Å²	36.5	23%	0.23	20%	0.202	C	C	.	.	H	α-helix	trans	-82.5	-20.1	-174.4	-63.5	0	0	0	0	113.9	V167 K790 A793 V794	V167-V171 HydrophobicContact CG1-CG1 3.82Å; V167-V171 WeakPolarHBondContact O-CG1 3.21Å; V167-V171 VanDerWaalsContact O-CG2 3.3Å; V167-V171 WeakPolarHBondContact O-CG2 3.26Å; V167-V171 PolarHBondContact O-N 3.24Å; V171-K790 HydrophobicContact CB-CG 4.18Å; V171-K790 HydrophobicContact CG1-CD 4.1Å; V171-K790 HydrophobicContact CG1-CG 3.94Å; V171-K790 HydrophobicContact CG2-CB 4.49Å; V171-K790 HydrophobicContact CG2-CG 4.05Å; V171-A793 HydrophobicContact CG2-CB 4.11Å; V171-V794 HydrophobicContact CB-CG2 4.17Å; V171-V794 HydrophobicContact CG2-CG2 4.16Å
172	V	90.6	Very high	90	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-58.6	129.2	175.9	172.9	0	0	0	0	109.7	C168 Q176 R178 A793 L873 K880	C168-V172 WeakPolarHBondContact O-CG2 3.5Å; V172-Q176 HydrophobicContact CG1-CB 4.05Å; V172-Q176 WeakPolarHBondContact CG1-O 3.32Å; V172-R178 HydrophobicContact CG1-CG 4.31Å; V172-R178 HydrophobicContact CG2-CG 3.89Å; V172-A793 HydrophobicContact CG2-CB 4.35Å; V172-L873 HydrophobicContact CG2-CB 3.89Å; V172-K880 PolarHBondContact O-NZ 3.43Å
173	P	86.7	Confident	89.4	Confident	52 Å²	52	41.3 Å²	41.3	34%	0.338	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-52.4	145.9	-179.4	-28.5	35.1	0	0	0	113.6	G175 Q176	P173-G175 PolarHBondContact O-N 3.43Å; P173-Q176 HydrophobicContact CB-CG 4.44Å; P173-Q176 PolarHBondContact O-N 3.49Å; P173-Q176 VanDerWaalsContact O-N 3.12Å
174	D	85.9	Confident	88.8	Confident	82 Å²	82	43.9 Å²	43.9	44%	0.439	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	129.7	-178.5	-72.3	-19.9	0	0	0	110.9	K877 K880	D174-K877 WeakPolarHBondContact OD2-CE 3.45Å; D174-K877 IonicContact OD2-NZ 3.72Å; D174-K877 PolarHBondContact OD2-NZ 2.91Å; D174-K880 IonicContact OD1-NZ 3.63Å; D174-K880 PolarHBondContact OD1-NZ 3.24Å
175	G	83.6	Confident	88.3	Confident	78 Å²	78	44.8 Å²	44.8	80%	0.804	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.9	-13.4	-176.8	0	0	0	0	0	114.6	P173	P173-G175 PolarHBondContact O-N 3.43Å
176	Q	88.8	Confident	87.9	Confident	85 Å²	85	45.2 Å²	45.2	40%	0.397	25%	0.251	S	S	.	.			trans	-97.9	151.2	176.6	-59	-173.3	10.2	0	0	111.9	V172 P173 R178 G875	V172-Q176 HydrophobicContact CG1-CB 4.05Å; V172-Q176 WeakPolarHBondContact CG1-O 3.32Å; P173-Q176 HydrophobicContact CB-CG 4.44Å; P173-Q176 PolarHBondContact O-N 3.49Å; P173-Q176 VanDerWaalsContact O-N 3.12Å; Q176-R178 VanDerWaalsContact OE1-CZ 3.25Å; Q176-R178 VanDerWaalsContact OE1-NH1 3.1Å; Q176-G875 PolarHBondContact O-N 3.03Å; Q176-G875 VanDerWaalsContact O-N 3.08Å
177	V	89.8	Confident	87.5	Confident	57 Å²	57	50 Å²	50	35%	0.345	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	142.5	172.5	-70.2	0	0	0	0	108.9	L873	V177-L873 WeakPolarHBondContact CA-O 3.03Å
178	R	90.5	Very high	87.2	Confident	26 Å²	26	50.9 Å²	50.9	10%	0.098	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	130.4	172.2	-48.1	-61.6	-173.4	-154.1	9.1	108.9	V172 Q176 A793 V794 D796 Q797 A799 E872 L873	V172-R178 HydrophobicContact CG1-CG 4.31Å; V172-R178 HydrophobicContact CG2-CG 3.89Å; Q176-R178 VanDerWaalsContact OE1-CZ 3.25Å; Q176-R178 VanDerWaalsContact OE1-NH1 3.1Å; R178-A793 PolarHBondContact NE-O 3.17Å; R178-V794 PolarHBondContact NH2-O 3.31Å; R178-D796 WeakPolarHBondContact CD-O 3.22Å; R178-D796 PolarHBondContact NE-O 3.11Å; R178-D796 PolarHBondContact NH2-O 3.49Å; R178-Q797 VanDerWaalsContact CD-O 3.27Å; R178-Q797 WeakPolarHBondContact CD-O 3.39Å; R178-A799 HydrophobicContact CB-CB 3.98Å; R178-E872 PolarHBondContact O-N 3.41Å; R178-L873 HydrophobicContact CB-CB 4.07Å; R178-L873 HydrophobicContact CB-CD1 4.35Å; R178-L873 HydrophobicContact CG-CB 4.38Å; R178-L873 PolarHBondContact N-O 2.88Å; R178-L873 PolarHBondContact O-N 3.5Å
179	R	88.8	Confident	86.8	Confident	123 Å²	123	51.1 Å²	51.1	46%	0.464	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-113.7	148.9	177.5	-70.3	-172.5	178.9	175.3	5	111.7	K181 Y798 A799 G870 E872	R179-K181 PolarHBondContact O-N 2.81Å; R179-Y798 CarbonylContact O-C 3.58Å; R179-Y798 VanDerWaalsContact O-CA 3.32Å; R179-Y798 WeakPolarHBondContact O-CA 3.41Å; R179-Y798 WeakPolarHBondContact O-CB 3.44Å; R179-A799 PolarHBondContact O-N 2.77Å; R179-G870 PolarHBondContact NE-O 2.87Å; R179-G870 PolarHBondContact NH2-O 3.36Å; R179-E872 VanDerWaalsContact CA-OE2 3.27Å; R179-E872 WeakPolarHBondContact CA-OE2 3.46Å
180	I	85.3	Confident	86.6	Confident	9 Å²	9	51.4 Å²	51.4	5%	0.046	28%	0.279	C	S	.	.			trans	-74.8	122.4	171.1	-58.4	175.5	0	0	0	108.7	L183 F186 A799 D800 I803 E872	I180-L183 HydrophobicContact CB-CD2 4.11Å; I180-L183 HydrophobicContact CG2-CD2 4.17Å; I180-L183 HydrophobicContact CG2-CG 4.34Å; I180-F186 HydrophobicContact CD1-CB 4.49Å; I180-F186 HydrophobicContact CD1-CD1 3.94Å; I180-F186 HydrophobicContact CD1-CD2 3.82Å; I180-F186 HydrophobicContact CD1-CE1 4.1Å; I180-F186 HydrophobicContact CD1-CE2 4.01Å; I180-F186 HydrophobicContact CD1-CG 3.79Å; I180-F186 HydrophobicContact CD1-CZ 4.13Å; I180-F186 HydrophobicContact CG2-CB 4.04Å; I180-F186 HydrophobicContact CG2-CG 4.44Å; I180-A799 HydrophobicContact CG1-CB 3.94Å; I180-D800 WeakPolarHBondContact CA-OD2 3.49Å; I180-D800 WeakPolarHBondContact CG2-OD1 3.41Å; I180-I803 HydrophobicContact CD1-CD1 3.92Å; I180-I803 HydrophobicContact CD1-CG2 4.31Å; I180-I803 HydrophobicContact CG1-CD1 4.1Å; I180-E872 HydrophobicContact CD1-CG 4.23Å; I180-E872 HydrophobicContact CG1-CG 4.26Å
181	K	80	Confident	86.5	Confident	128 Å²	128	52.3 Å²	52.3	56%	0.557	29%	0.287	S	S	*	.	S	Bend	trans	-79.7	-45.8	177.2	-177.3	-177	173.8	-166.5	0	111	R179 L183 Y798 D800	R179-K181 PolarHBondContact O-N 2.81Å; K181-L183 PolarHBondContact O-N 2.82Å; K181-Y798 HydrophobicContact CB-CD1 3.93Å; K181-Y798 HydrophobicContact CB-CE1 4.29Å; K181-Y798 HydrophobicContact CB-CG 4.19Å; K181-Y798 HydrophobicContact CD-CD2 4.43Å; K181-Y798 HydrophobicContact CD-CE1 4.39Å; K181-Y798 HydrophobicContact CD-CE2 4.24Å; K181-D800 PolarHBondContact N-OD1 3.48Å; K181-D800 PolarHBondContact N-OD2 3.13Å
182	H	79	Confident	86.6	Confident	72 Å²	72	52.9 Å²	52.9	33%	0.333	29%	0.285	S	S	.	.			trans	-99.6	67.5	-173.8	-64.3	-101.7	0	0	0	112.6	S184 V185 F186 D235 D800	H182-S184 VanDerWaalsContact C-N 3.32Å; H182-S184 PolarHBondContact O-N 3.44Å; H182-V185 HydrophobicContact CB-CB 4.29Å; H182-V185 HydrophobicContact CB-CG2 4.27Å; H182-V185 PolarHBondContact O-N 3.42Å; H182-F186 PolarHBondContact O-N 3.09Å; H182-D235 IonicContact ND1-OD1 2.58Å; H182-D800 IonicContact CD2-OD1 2.79Å; H182-D800 PolarHBondContact N-OD1 3.27Å
183	L	82.5	Confident	86.6	Confident	33 Å²	33	53 Å²	53	17%	0.173	29%	0.286	C	S	.	.	H	α-helix	trans	-61.3	-35	-174.5	-69.1	150.4	0	0	0	114.4	I180 K181 V185 F186 F187 R865	I180-L183 HydrophobicContact CB-CD2 4.11Å; I180-L183 HydrophobicContact CG2-CD2 4.17Å; I180-L183 HydrophobicContact CG2-CG 4.34Å; K181-L183 PolarHBondContact O-N 2.82Å; L183-V185 VanDerWaalsContact C-N 3.34Å; L183-F186 PolarHBondContact O-N 3.29Å; L183-F187 HydrophobicContact CB-CD2 4.35Å; L183-F187 HydrophobicContact CB-CE2 4.27Å; L183-F187 WeakPolarHBondContact O-CD2 3.39Å; L183-F187 PolarHBondContact O-N 2.9Å; L183-R865 VanDerWaalsContact CD1-NH1 3.28Å
184	S	83.3	Confident	86.9	Confident	62 Å²	62	51.9 Å²	51.9	43%	0.434	28%	0.277	S	S	.	.	H	α-helix	trans	-62.8	-43.2	178.8	-54.2	0	0	0	0	111.5	H182 F187 I188	H182-S184 VanDerWaalsContact C-N 3.32Å; H182-S184 PolarHBondContact O-N 3.44Å; S184-F187 PolarHBondContact O-N 3.12Å; S184-I188 WeakPolarHBondContact O-CG1 3.16Å; S184-I188 PolarHBondContact O-N 3.35Å; S184-I188 VanDerWaalsContact O-N 3.16Å
185	V	83.7	Confident	87.3	Confident	20 Å²	20	51 Å²	51	12%	0.121	27%	0.269	C	S	.	.	H	α-helix	trans	-64.6	-46.7	176	-178.9	0	0	0	0	109.1	T115 H182 L183 F187 I188 T189 D235	T115-V185 HydrophobicContact CG2-CG1 3.82Å; H182-V185 HydrophobicContact CB-CB 4.29Å; H182-V185 HydrophobicContact CB-CG2 4.27Å; H182-V185 PolarHBondContact O-N 3.42Å; L183-V185 VanDerWaalsContact C-N 3.34Å; V185-F187 PolarHBondContact O-N 2.84Å; V185-I188 PolarHBondContact O-N 2.8Å; V185-T189 HydrophobicContact CG1-CG2 4.14Å; V185-T189 WeakPolarHBondContact O-CG2 3.28Å; V185-T189 PolarHBondContact O-N 2.97Å; V185-T189 PolarHBondContact O-OG1 2.88Å; V185-D235 HydrophobicContact CG2-CB 4.13Å
186	F	85.5	Confident	87.8	Confident	10 Å²	10	47.2 Å²	47.2	4%	0.044	23%	0.231	C	C	.	.	H	α-helix	trans	-57.7	-43.5	176.5	173.5	-102.6	0	0	0	113.5	I180 H182 L183 I188 T189 S190 I803 T807 L862	I180-F186 HydrophobicContact CD1-CB 4.49Å; I180-F186 HydrophobicContact CD1-CD1 3.94Å; I180-F186 HydrophobicContact CD1-CD2 3.82Å; I180-F186 HydrophobicContact CD1-CE1 4.1Å; I180-F186 HydrophobicContact CD1-CE2 4.01Å; I180-F186 HydrophobicContact CD1-CG 3.79Å; I180-F186 HydrophobicContact CD1-CZ 4.13Å; I180-F186 HydrophobicContact CG2-CB 4.04Å; I180-F186 HydrophobicContact CG2-CG 4.44Å; H182-F186 PolarHBondContact O-N 3.09Å; L183-F186 PolarHBondContact O-N 3.29Å; F186-I188 VanDerWaalsContact C-N 3.33Å; F186-I188 PolarHBondContact O-N 2.95Å; F186-T189 WeakPolarHBondContact CA-OG1 3.43Å; F186-T189 PolarHBondContact O-N 3.46Å; F186-T189 PolarHBondContact O-OG1 3.35Å; F186-S190 WeakPolarHBondContact O-CB 3.46Å; F186-S190 PolarHBondContact O-N 2.01Å; F186-I803 HydrophobicContact CD2-CG2 3.96Å; F186-I803 HydrophobicContact CE2-CG2 3.38Å; F186-I803 HydrophobicContact CZ-CG2 4.25Å; F186-T807 HydrophobicContact CE2-CG2 4.06Å; F186-L862 HydrophobicContact CE1-CD2 4.12Å
187	F	87.8	Confident	88.1	Confident	101 Å²	101	43.2 Å²	43.2	44%	0.443	21%	0.212	S	C	.	.	H	α-helix	trans	-64.9	-38.1	178	-81.6	-62.2	0	0	0	112	L183 S184 V185 S191 L862	L183-F187 HydrophobicContact CB-CD2 4.35Å; L183-F187 HydrophobicContact CB-CE2 4.27Å; L183-F187 WeakPolarHBondContact O-CD2 3.39Å; L183-F187 PolarHBondContact O-N 2.9Å; S184-F187 PolarHBondContact O-N 3.12Å; V185-F187 PolarHBondContact O-N 2.84Å; F187-S191 VanDerWaalsContact O-CB 3.24Å; F187-S191 WeakPolarHBondContact O-CB 3.06Å; F187-S191 PolarHBondContact O-N 3.37Å; F187-S191 PolarHBondContact O-OG 3.31Å; F187-L862 HydrophobicContact CE1-CD1 4.05Å; F187-L862 HydrophobicContact CE1-CD2 4.11Å; F187-L862 HydrophobicContact CZ-CD2 4.06Å
188	I	87.6	Confident	88.2	Confident	46 Å²	46	44.4 Å²	44.4	24%	0.236	22%	0.216	C	C	.	.	H	α-helix	trans	-68.6	-50.6	176.9	-70.7	166.8	0	0	0	109.9	S184 V185 F186 S190 S191 W192 C230 A234	S184-I188 WeakPolarHBondContact O-CG1 3.16Å; S184-I188 PolarHBondContact O-N 3.35Å; S184-I188 VanDerWaalsContact O-N 3.16Å; V185-I188 PolarHBondContact O-N 2.8Å; F186-I188 VanDerWaalsContact C-N 3.33Å; F186-I188 PolarHBondContact O-N 2.95Å; I188-S190 VanDerWaalsContact C-N 3.35Å; I188-S190 PolarHBondContact O-N 3.49Å; I188-S191 PolarHBondContact O-N 3.4Å; I188-S191 PolarHBondContact O-OG 3.48Å; I188-W192 WeakPolarHBondContact O-CB 3.46Å; I188-W192 VanDerWaalsContact O-CD1 3.22Å; I188-W192 PolarHBondContact O-N 3.43Å; I188-C230 HydrophobicContact CG2-CB 4.26Å; I188-A234 HydrophobicContact CD1-CB 3.23Å
189	T	86.6	Confident	88.4	Confident	6 Å²	6	44.1 Å²	44.1	4%	0.037	22%	0.215	C	C	.	.	H	α-helix	trans	-64.4	-40.1	-179.5	58.9	0	0	0	0	112	L119 V185 F186 S193	L119-T189 HydrophobicContact CD1-CG2 3.78Å; L119-T189 HydrophobicContact CD2-CG2 3.71Å; L119-T189 HydrophobicContact CG-CG2 4.34Å; V185-T189 HydrophobicContact CG1-CG2 4.14Å; V185-T189 WeakPolarHBondContact O-CG2 3.28Å; V185-T189 PolarHBondContact O-N 2.97Å; V185-T189 PolarHBondContact O-OG1 2.88Å; F186-T189 WeakPolarHBondContact CA-OG1 3.43Å; F186-T189 PolarHBondContact O-N 3.46Å; F186-T189 PolarHBondContact O-OG1 3.35Å; T189-S193 VanDerWaalsContact O-CB 3.26Å; T189-S193 WeakPolarHBondContact O-CB 3.3Å; T189-S193 PolarHBondContact O-N 3.46Å; T189-S193 PolarHBondContact O-OG 2.93Å
190	S	88.7	Confident	88.5	Confident	6 Å²	6	38.3 Å²	38.3	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-66.5	-43.7	177.2	-178.1	0	0	0	0	112.3	F186 I188 S193 L194 I858	F186-S190 WeakPolarHBondContact O-CB 3.46Å; F186-S190 PolarHBondContact O-N 2.01Å; I188-S190 VanDerWaalsContact C-N 3.35Å; I188-S190 PolarHBondContact O-N 3.49Å; S190-S193 WeakPolarHBondContact CA-OG 3.23Å; S190-S193 PolarHBondContact O-N 3.05Å; S190-S193 PolarHBondContact O-OG 3.43Å; S190-L194 PolarHBondContact O-N 3.14Å; S190-I858 WeakPolarHBondContact OG-CD1 3.44Å
191	S	91	Very high	88.8	Confident	64 Å²	64	41.6 Å²	41.6	45%	0.448	21%	0.206	S	C	.	.	H	α-helix	trans	-65.1	-43.7	177.4	55.2	0	0	0	0	112.1	F187 I188 S193 L194 F195	F187-S191 VanDerWaalsContact O-CB 3.24Å; F187-S191 WeakPolarHBondContact O-CB 3.06Å; F187-S191 PolarHBondContact O-N 3.37Å; F187-S191 PolarHBondContact O-OG 3.31Å; I188-S191 PolarHBondContact O-N 3.4Å; I188-S191 PolarHBondContact O-OG 3.48Å; S191-S193 VanDerWaalsContact C-N 3.35Å; S191-L194 PolarHBondContact O-N 2.91Å; S191-F195 VanDerWaalsContact O-CB 3.29Å; S191-F195 WeakPolarHBondContact O-CB 3.3Å; S191-F195 PolarHBondContact O-N 2.94Å
192	W	92.7	Very high	89.3	Confident	50 Å²	50	37.5 Å²	37.5	19%	0.189	19%	0.19	C	C	.	.	H	α-helix	trans	-67.1	-34.2	174.5	-81.4	99.9	0	0	0	112.8	I188 F195 A196 F223 I226 I227 F815	I188-W192 WeakPolarHBondContact O-CB 3.46Å; I188-W192 VanDerWaalsContact O-CD1 3.22Å; I188-W192 PolarHBondContact O-N 3.43Å; W192-F195 AromaticContact CE3-CD1 3.73Å; W192-F195 HydrophobicContact CE3-CD1 3.73Å; W192-F195 HydrophobicContact CE3-CE1 4.32Å; W192-F195 AromaticContact CZ3-CD1 3.72Å; W192-F195 HydrophobicContact CZ3-CD1 3.72Å; W192-F195 AromaticContact CZ3-CE1 3.84Å; W192-F195 HydrophobicContact CZ3-CE1 3.84Å; W192-F195 PolarHBondContact O-N 2.67Å; W192-A196 WeakPolarHBondContact O-CB 3.29Å; W192-A196 PolarHBondContact O-N 2.84Å; W192-F223 HydrophobicContact CH2-CD1 4.15Å; W192-F223 HydrophobicContact CZ3-CB 4.34Å; W192-F223 AromaticContact CZ3-CD1 3.89Å; W192-F223 HydrophobicContact CZ3-CD1 3.89Å; W192-F223 HydrophobicContact CZ3-CE1 4.46Å; W192-F223 HydrophobicContact CZ3-CG 4.16Å; W192-I226 HydrophobicContact CH2-CG2 3.82Å; W192-I226 HydrophobicContact CZ2-CG2 3.95Å; W192-I227 HydrophobicContact CB-CB 4.45Å; W192-I227 HydrophobicContact CB-CD1 3.36Å; W192-I227 HydrophobicContact CB-CG1 3.75Å; W192-I227 HydrophobicContact CD2-CB 4.21Å; W192-I227 HydrophobicContact CD2-CG1 4.3Å; W192-I227 HydrophobicContact CG-CB 4.18Å; W192-I227 HydrophobicContact CG-CD1 3.95Å; W192-I227 HydrophobicContact CG-CG1 3.73Å; W192-F815 AromaticContact CE3-CE2 3.96Å; W192-F815 HydrophobicContact CE3-CE2 3.96Å; W192-F815 AromaticContact CE3-CZ 3.77Å; W192-F815 HydrophobicContact CE3-CZ 3.77Å; W192-F815 HydrophobicContact CZ3-CZ 4.29Å
193	S	91.4	Very high	89.9	Confident	4 Å²	4	34.1 Å²	34.1	3%	0.028	17%	0.174	C	C	.	.	H	α-helix	trans	-63.6	-43.9	175.6	75	0	0	0	0	111.5	T189 S190 S191 A196 Y197 T807	T189-S193 VanDerWaalsContact O-CB 3.26Å; T189-S193 WeakPolarHBondContact O-CB 3.3Å; T189-S193 PolarHBondContact O-N 3.46Å; T189-S193 PolarHBondContact O-OG 2.93Å; S190-S193 WeakPolarHBondContact CA-OG 3.23Å; S190-S193 PolarHBondContact O-N 3.05Å; S190-S193 PolarHBondContact O-OG 3.43Å; S191-S193 VanDerWaalsContact C-N 3.35Å; S193-A196 WeakPolarHBondContact O-CB 3.44Å; S193-A196 PolarHBondContact O-N 3.23Å; S193-Y197 WeakPolarHBondContact O-CD2 3.4Å; S193-T807 WeakPolarHBondContact CB-O 3.08Å
194	L	92.4	Very high	90.2	Very high	27 Å²	27	32.5 Å²	32.5	14%	0.141	17%	0.166	C	C	.	.	H	α-helix	trans	-67.4	-42.8	174.6	-75.2	175.8	0	0	0	111.5	S190 S191 A196 Y197 L198 A854 L855 I858	S190-L194 PolarHBondContact O-N 3.14Å; S191-L194 PolarHBondContact O-N 2.91Å; L194-A196 PolarHBondContact O-N 2.81Å; L194-Y197 PolarHBondContact O-N 3.37Å; L194-L198 PolarHBondContact O-N 2.84Å; L194-A854 HydrophobicContact CD2-CB 3.44Å; L194-A854 VanDerWaalsContact CD2-CB 3.44Å; L194-L855 HydrophobicContact CD1-CD2 3.56Å; L194-L855 HydrophobicContact CD1-CG 4.3Å; L194-I858 HydrophobicContact CD1-CD1 3.53Å; L194-I858 HydrophobicContact CD2-CD1 3.94Å; L194-I858 HydrophobicContact CG-CD1 3.72Å
195	F	94.6	Very high	90.4	Very high	63 Å²	63	31.2 Å²	31.2	28%	0.276	16%	0.159	S	C	.	.	H	α-helix	trans	-60	-34.2	178.2	176.6	-106.5	0	0	0	111.5	S191 W192 Y197 L198 W199 F223 F815	S191-F195 VanDerWaalsContact O-CB 3.29Å; S191-F195 WeakPolarHBondContact O-CB 3.3Å; S191-F195 PolarHBondContact O-N 2.94Å; W192-F195 AromaticContact CE3-CD1 3.73Å; W192-F195 HydrophobicContact CE3-CD1 3.73Å; W192-F195 HydrophobicContact CE3-CE1 4.32Å; W192-F195 AromaticContact CZ3-CD1 3.72Å; W192-F195 HydrophobicContact CZ3-CD1 3.72Å; W192-F195 AromaticContact CZ3-CE1 3.84Å; W192-F195 HydrophobicContact CZ3-CE1 3.84Å; W192-F195 PolarHBondContact O-N 2.67Å; F195-Y197 PolarHBondContact O-N 2.91Å; F195-L198 HydrophobicContact CD2-CD2 4.28Å; F195-L198 PolarHBondContact O-N 3.43Å; F195-W199 HydrophobicContact CE1-CB 4.22Å; F195-W199 HydrophobicContact CE1-CE3 4.5Å; F195-W199 HydrophobicContact CE2-CB 4.46Å; F195-W199 HydrophobicContact CE2-CE3 4.31Å; F195-W199 HydrophobicContact CZ-CB 4.17Å; F195-W199 HydrophobicContact CZ-CD2 4.25Å; F195-W199 AromaticContact CZ-CE3 3.72Å; F195-W199 HydrophobicContact CZ-CE3 3.72Å; F195-W199 HydrophobicContact CZ-CG 4.44Å; F195-W199 WeakPolarHBondContact O-CB 3.23Å; F195-W199 PolarHBondContact O-N 3.42Å; F195-F223 HydrophobicContact CE1-CD2 4.29Å; F195-F223 AromaticContact CE1-CE2 3.99Å; F195-F223 HydrophobicContact CE1-CE2 3.99Å; F195-F223 HydrophobicContact CE1-CZ 4.19Å; F195-F223 HydrophobicContact CZ-CE2 4.37Å; F195-F223 HydrophobicContact CZ-CZ 4.42Å; F195-F815 HydrophobicContact CD1-CZ 4.13Å
196	A	94.3	Very high	90.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59.3	-47.2	178.4	0	0	0	0	0	112.2	W192 S193 L194 W199 M200 V814 F815	W192-A196 WeakPolarHBondContact O-CB 3.29Å; W192-A196 PolarHBondContact O-N 2.84Å; S193-A196 WeakPolarHBondContact O-CB 3.44Å; S193-A196 PolarHBondContact O-N 3.23Å; L194-A196 PolarHBondContact O-N 2.81Å; A196-W199 PolarHBondContact O-N 3.2Å; A196-M200 PolarHBondContact O-N 3.13Å; A196-V814 HydrophobicContact CB-CB 3.79Å; A196-V814 HydrophobicContact CB-CG1 4.04Å; A196-V814 HydrophobicContact CB-CG2 4.17Å; A196-V814 WeakPolarHBondContact O-CG1 3.44Å; A196-F815 HydrophobicContact CB-CD1 4.18Å; A196-F815 HydrophobicContact CB-CD2 4.26Å; A196-F815 HydrophobicContact CB-CE1 3.61Å; A196-F815 HydrophobicContact CB-CE2 3.7Å; A196-F815 HydrophobicContact CB-CG 4.47Å; A196-F815 HydrophobicContact CB-CZ 3.32Å
197	Y	94.2	Very high	90.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-71.7	-38.3	177.5	-66.8	-88.6	0	0	0	111.9	I153 V154 A157 S193 L194 F195 W199 M200 Y201 N810 V814 V847 Y850	I153-Y197 HydrophobicContact CG2-CE1 4.25Å; V154-Y197 HydrophobicContact CG2-CD1 4.34Å; V154-Y197 HydrophobicContact CG2-CE1 4.25Å; A157-Y197 HydrophobicContact CB-CE1 3.67Å; A157-Y197 HydrophobicContact CB-CE2 4.06Å; A157-Y197 WeakPolarHBondContact CB-OH 3.4Å; S193-Y197 WeakPolarHBondContact O-CD2 3.4Å; L194-Y197 PolarHBondContact O-N 3.37Å; F195-Y197 PolarHBondContact O-N 2.91Å; Y197-W199 VanDerWaalsContact C-N 3.32Å; Y197-W199 PolarHBondContact O-N 3.19Å; Y197-M200 HydrophobicContact CD1-CE 3.43Å; Y197-M200 VanDerWaalsContact CD1-CE 3.43Å; Y197-M200 HydrophobicContact CE1-CE 3.88Å; Y197-M200 HydrophobicContact CG-CE 4.19Å; Y197-M200 WeakPolarHBondContact O-CB 2.93Å; Y197-M200 PolarHBondContact O-N 2.61Å; Y197-Y201 PolarHBondContact O-N 2.94Å; Y197-N810 HydrophobicContact CE2-CB 4.21Å; Y197-N810 VanDerWaalsContact CE2-O 3.28Å; Y197-N810 WeakPolarHBondContact CE2-O 3.43Å; Y197-N810 PolarHBondContact OH-O 3.47Å; Y197-V814 HydrophobicContact CD1-CG2 3.92Å; Y197-V814 HydrophobicContact CD2-CG2 4.16Å; Y197-V814 HydrophobicContact CE1-CG2 3.5Å; Y197-V814 HydrophobicContact CE2-CG2 3.76Å; Y197-V814 HydrophobicContact CG-CG2 4.2Å; Y197-V847 WeakPolarHBondContact O-CG1 3.44Å; Y197-Y850 AromaticContact CD1-CD1 3.92Å; Y197-Y850 HydrophobicContact CD1-CD1 3.92Å; Y197-Y850 AromaticContact CD1-CE1 3.9Å; Y197-Y850 HydrophobicContact CD1-CE1 3.9Å; Y197-Y850 HydrophobicContact CD2-CD1 4.22Å; Y197-Y850 AromaticContact CD2-CE1 3.46Å; Y197-Y850 HydrophobicContact CD2-CE1 3.46Å; Y197-Y850 VanDerWaalsContact CD2-CE1 3.46Å; Y197-Y850 HydrophobicContact CE1-CE1 4.29Å; Y197-Y850 AromaticContact CE2-CE1 3.91Å; Y197-Y850 HydrophobicContact CE2-CE1 3.91Å; Y197-Y850 AromaticContact CG-CD1 3.78Å; Y197-Y850 HydrophobicContact CG-CD1 3.78Å; Y197-Y850 AromaticContact CG-CE1 3.51Å; Y197-Y850 HydrophobicContact CG-CE1 3.51Å
198	L	92.4	Very high	90.9	Very high	83 Å²	83	34.9 Å²	34.9	44%	0.435	18%	0.182	S	C	.	.	H	α-helix	trans	-59.7	-45.1	172.4	-171.2	95.2	0	0	0	111.1	L194 F195 M200 Y201 L202	L194-L198 PolarHBondContact O-N 2.84Å; F195-L198 HydrophobicContact CD2-CD2 4.28Å; F195-L198 PolarHBondContact O-N 3.43Å; L198-M200 VanDerWaalsContact C-N 3.34Å; L198-M200 PolarHBondContact O-N 3.18Å; L198-Y201 WeakPolarHBondContact O-CB 3.38Å; L198-Y201 PolarHBondContact O-N 3.48Å; L198-Y201 VanDerWaalsContact O-N 3.12Å; L198-L202 HydrophobicContact CD2-CD1 4.32Å; L198-L202 WeakPolarHBondContact O-CG 3.31Å; L198-L202 PolarHBondContact O-N 2.8Å
199	W	94.5	Very high	90.9	Very high	20 Å²	20	37.1 Å²	37.1	8%	0.076	20%	0.199	C	C	.	.	H	α-helix	trans	-61.1	-43.6	177.9	177.3	-100.9	0	0	0	111.3	F195 A196 Y197 Y201 L202 I203 F207 L219 T220 F223	F195-W199 HydrophobicContact CE1-CB 4.22Å; F195-W199 HydrophobicContact CE1-CE3 4.5Å; F195-W199 HydrophobicContact CE2-CB 4.46Å; F195-W199 HydrophobicContact CE2-CE3 4.31Å; F195-W199 HydrophobicContact CZ-CB 4.17Å; F195-W199 HydrophobicContact CZ-CD2 4.25Å; F195-W199 AromaticContact CZ-CE3 3.72Å; F195-W199 HydrophobicContact CZ-CE3 3.72Å; F195-W199 HydrophobicContact CZ-CG 4.44Å; F195-W199 WeakPolarHBondContact O-CB 3.23Å; F195-W199 PolarHBondContact O-N 3.42Å; A196-W199 PolarHBondContact O-N 3.2Å; Y197-W199 VanDerWaalsContact C-N 3.32Å; Y197-W199 PolarHBondContact O-N 3.19Å; W199-Y201 VanDerWaalsContact C-N 3.28Å; W199-Y201 PolarHBondContact O-N 3.08Å; W199-L202 HydrophobicContact CE3-CD1 4.34Å; W199-L202 WeakPolarHBondContact O-CB 3.43Å; W199-L202 PolarHBondContact O-N 3.44Å; W199-L202 VanDerWaalsContact O-N 3.09Å; W199-I203 HydrophobicContact CD2-CG2 4.27Å; W199-I203 HydrophobicContact CH2-CG2 4.48Å; W199-I203 HydrophobicContact CZ2-CG2 3.76Å; W199-I203 WeakPolarHBondContact O-CG1 3.41Å; W199-I203 PolarHBondContact O-N 2.88Å; W199-F207 HydrophobicContact CE3-CE2 4.42Å; W199-F207 HydrophobicContact CH2-CD2 4.48Å; W199-F207 AromaticContact CH2-CE2 3.81Å; W199-F207 HydrophobicContact CH2-CE2 3.81Å; W199-F207 AromaticContact CZ3-CE2 3.66Å; W199-F207 HydrophobicContact CZ3-CE2 3.66Å; W199-F207 HydrophobicContact CZ3-CZ 4.38Å; W199-L219 HydrophobicContact CH2-CD2 3.8Å; W199-L219 HydrophobicContact CZ2-CD2 3.76Å; W199-L219 HydrophobicContact CZ2-CG 4.3Å; W199-T220 PolarHBondContact NE1-OG1 3.32Å; W199-F223 AromaticContact CD2-CE2 3.73Å; W199-F223 HydrophobicContact CD2-CE2 3.73Å; W199-F223 AromaticContact CE2-CE2 3.59Å; W199-F223 HydrophobicContact CE3-CE2 4.15Å; W199-F223 HydrophobicContact CG-CE2 4.15Å; W199-F223 HydrophobicContact CH2-CE2 4.31Å; W199-F223 AromaticContact CZ2-CE2 3.92Å; W199-F223 HydrophobicContact CZ2-CE2 3.92Å; W199-F223 HydrophobicContact CZ3-CE2 4.41Å; W199-F223 AromaticContact NE1-CE2 3.87Å
200	M	91.4	Very high	90.9	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-58.3	-39.4	173	179	172.3	23.4	0	0	112.3	V154 A196 Y197 L198 I203 I204 V814 I818 W822 V847	V154-M200 HydrophobicContact CG2-CE 4.11Å; A196-M200 PolarHBondContact O-N 3.13Å; Y197-M200 HydrophobicContact CD1-CE 3.43Å; Y197-M200 VanDerWaalsContact CD1-CE 3.43Å; Y197-M200 HydrophobicContact CE1-CE 3.88Å; Y197-M200 HydrophobicContact CG-CE 4.19Å; Y197-M200 WeakPolarHBondContact O-CB 2.93Å; Y197-M200 PolarHBondContact O-N 2.61Å; L198-M200 VanDerWaalsContact C-N 3.34Å; L198-M200 PolarHBondContact O-N 3.18Å; M200-I203 VanDerWaalsContact O-CG1 3.25Å; M200-I203 WeakPolarHBondContact O-CG1 3.49Å; M200-I204 VanDerWaalsContact O-CG1 3.27Å; M200-I204 WeakPolarHBondContact O-CG1 3.46Å; M200-I204 PolarHBondContact O-N 3.46Å; M200-V814 HydrophobicContact CB-CG1 4.26Å; M200-V814 HydrophobicContact CE-CB 4.43Å; M200-V814 HydrophobicContact CE-CG1 3.98Å; M200-V814 HydrophobicContact CE-CG2 3.57Å; M200-I818 HydrophobicContact SD-CG1 4.2Å; M200-W822 HydrophobicContact CG-CH2 4.17Å; M200-V847 HydrophobicContact CE-CG2 4.02Å; M200-V847 HydrophobicContact SD-CG2 4.24Å
201	Y	91.1	Very high	91	Very high	77 Å²	77	38.5 Å²	38.5	30%	0.302	21%	0.21	S	C	.	.	H	α-helix	trans	-66	-43	172.1	173	-98.7	0	0	0	112.3	Y197 L198 W199 I203 I204 A205 V206 T848	Y197-Y201 PolarHBondContact O-N 2.94Å; L198-Y201 WeakPolarHBondContact O-CB 3.38Å; L198-Y201 PolarHBondContact O-N 3.48Å; L198-Y201 VanDerWaalsContact O-N 3.12Å; W199-Y201 VanDerWaalsContact C-N 3.28Å; W199-Y201 PolarHBondContact O-N 3.08Å; Y201-I203 PolarHBondContact O-N 3.25Å; Y201-I204 PolarHBondContact O-N 3.47Å; Y201-A205 HydrophobicContact CD2-CB 4.06Å; Y201-A205 HydrophobicContact CE2-CB 3.72Å; Y201-A205 WeakPolarHBondContact O-CB 3.41Å; Y201-A205 PolarHBondContact O-N 3.23Å; Y201-V206 HydrophobicContact CD1-CG2 4.39Å; Y201-V206 HydrophobicContact CE1-CG2 3.89Å; Y201-T848 WeakPolarHBondContact CD2-OG1 3.29Å; Y201-T848 WeakPolarHBondContact CE2-OG1 3.22Å
202	L	91.1	Very high	91.2	Very high	42 Å²	42	35.6 Å²	35.6	22%	0.22	19%	0.189	C	C	.	.	I	π-helix	trans	-60.1	-43.8	-179.8	-68.9	176.2	0	0	0	112.3	L198 W199 V206 F207	L198-L202 HydrophobicContact CD2-CD1 4.32Å; L198-L202 WeakPolarHBondContact O-CG 3.31Å; L198-L202 PolarHBondContact O-N 2.8Å; W199-L202 HydrophobicContact CE3-CD1 4.34Å; W199-L202 WeakPolarHBondContact O-CB 3.43Å; W199-L202 PolarHBondContact O-N 3.44Å; W199-L202 VanDerWaalsContact O-N 3.09Å; L202-V206 HydrophobicContact CD2-CB 4.1Å; L202-V206 HydrophobicContact CD2-CG1 4.36Å; L202-V206 HydrophobicContact CD2-CG2 3.91Å; L202-V206 CarbonylContact O-C 3.31Å; L202-V206 WeakPolarHBondContact O-CA 3.38Å; L202-V206 WeakPolarHBondContact O-CB 3.4Å; L202-V206 PolarHBondContact O-N 3.38Å; L202-F207 HydrophobicContact CB-CD2 4.36Å; L202-F207 HydrophobicContact CB-CE2 4.04Å; L202-F207 HydrophobicContact CB-CZ 4.36Å; L202-F207 HydrophobicContact CD1-CZ 4.4Å; L202-F207 PolarHBondContact O-N 2.95Å
203	I	91.6	Very high	91.2	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.2	C	C	.	.	I	π-helix	trans	-69.5	-39.4	-179.2	61.5	-172.1	0	0	0	112.3	W199 M200 Y201 F207 E216 W822	W199-I203 HydrophobicContact CD2-CG2 4.27Å; W199-I203 HydrophobicContact CH2-CG2 4.48Å; W199-I203 HydrophobicContact CZ2-CG2 3.76Å; W199-I203 WeakPolarHBondContact O-CG1 3.41Å; W199-I203 PolarHBondContact O-N 2.88Å; M200-I203 VanDerWaalsContact O-CG1 3.25Å; M200-I203 WeakPolarHBondContact O-CG1 3.49Å; Y201-I203 PolarHBondContact O-N 3.25Å; I203-F207 HydrophobicContact CG2-CD2 4.28Å; I203-E216 HydrophobicContact CG2-CB 4.15Å; I203-E216 HydrophobicContact CG2-CG 4.4Å; I203-W822 HydrophobicContact CD1-CE3 3.94Å; I203-W822 HydrophobicContact CD1-CZ3 3.45Å; I203-W822 VanDerWaalsContact CD1-CZ3 3.45Å; I203-W822 HydrophobicContact CG1-CZ3 3.99Å
204	I	89.3	Confident	91.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.213	C	C	.	.	I	π-helix	trans	-82.1	-27.5	-177.3	67.9	-171.8	0	0	0	114.2	M200 Y201 P209 G210 W822 V838 P840 L843	M200-I204 VanDerWaalsContact O-CG1 3.27Å; M200-I204 WeakPolarHBondContact O-CG1 3.46Å; M200-I204 PolarHBondContact O-N 3.46Å; Y201-I204 PolarHBondContact O-N 3.47Å; I204-P209 WeakPolarHBondContact O-CA 3.41Å; I204-G210 PolarHBondContact O-N 2.64Å; I204-G210 VanDerWaalsContact O-N 3.14Å; I204-W822 HydrophobicContact CG2-CH2 3.6Å; I204-W822 HydrophobicContact CG2-CZ3 3.87Å; I204-V838 HydrophobicContact CG2-CG1 4.13Å; I204-P840 HydrophobicContact CB-CB 4.36Å; I204-P840 HydrophobicContact CG1-CB 4.17Å; I204-L843 HydrophobicContact CD1-CD2 4.26Å; I204-L843 HydrophobicContact CD1-CG 4.23Å
205	A	86.6	Confident	91.6	Very high	35 Å²	35	44.1 Å²	44.1	29%	0.289	23%	0.228	S	C	.	.	I	π-helix	trans	-119.1	-24.1	-169.9	0	0	0	0	0	114.7	Y201 P840	Y201-A205 HydrophobicContact CD2-CB 4.06Å; Y201-A205 HydrophobicContact CE2-CB 3.72Å; Y201-A205 WeakPolarHBondContact O-CB 3.41Å; Y201-A205 PolarHBondContact O-N 3.23Å; A205-P840 HydrophobicContact CB-CB 4.4Å
206	V	88.3	Confident	91.6	Very high	77 Å²	77	41.1 Å²	41.1	47%	0.467	22%	0.215	S	C	.	.	I	π-helix	trans	-114	-52.9	-169.6	-177	0	0	0	0	113	Y201 L202	Y201-V206 HydrophobicContact CD1-CG2 4.39Å; Y201-V206 HydrophobicContact CE1-CG2 3.89Å; L202-V206 HydrophobicContact CD2-CB 4.1Å; L202-V206 HydrophobicContact CD2-CG1 4.36Å; L202-V206 HydrophobicContact CD2-CG2 3.91Å; L202-V206 CarbonylContact O-C 3.31Å; L202-V206 WeakPolarHBondContact O-CA 3.38Å; L202-V206 WeakPolarHBondContact O-CB 3.4Å; L202-V206 PolarHBondContact O-N 3.38Å
207	F	90.1	Very high	91.6	Very high	100 Å²	100	41.1 Å²	41.1	44%	0.439	22%	0.215	S	C	.	.	I	π-helix	trans	-76.1	-60.3	-175.3	-65.4	-29.6	0	0	0	112	W199 L202 I203 E216	W199-F207 HydrophobicContact CE3-CE2 4.42Å; W199-F207 HydrophobicContact CH2-CD2 4.48Å; W199-F207 AromaticContact CH2-CE2 3.81Å; W199-F207 HydrophobicContact CH2-CE2 3.81Å; W199-F207 AromaticContact CZ3-CE2 3.66Å; W199-F207 HydrophobicContact CZ3-CE2 3.66Å; W199-F207 HydrophobicContact CZ3-CZ 4.38Å; L202-F207 HydrophobicContact CB-CD2 4.36Å; L202-F207 HydrophobicContact CB-CE2 4.04Å; L202-F207 HydrophobicContact CB-CZ 4.36Å; L202-F207 HydrophobicContact CD1-CZ 4.4Å; L202-F207 PolarHBondContact O-N 2.95Å; I203-F207 HydrophobicContact CG2-CD2 4.28Å; F207-E216 WeakPolarHBondContact CB-OE1 3.2Å
208	T	88.9	Confident	91.7	Very high	30 Å²	30	44.1 Å²	44.1	18%	0.184	23%	0.231	C	C	.	.	S	Bend	trans	-129.5	85.7	177.5	44.9	0	0	0	0	109.2	G210 V211 E213 E216	T208-G210 PolarHBondContact O-N 3.11Å; T208-G210 VanDerWaalsContact O-N 3.13Å; T208-V211 WeakPolarHBondContact CB-O 3.38Å; T208-V211 PolarHBondContact O-N 2.92Å; T208-V211 VanDerWaalsContact O-N 3.13Å; T208-V211 PolarHBondContact OG1-O 3.12Å; T208-E213 HydrophobicContact CG2-CG 4.14Å; T208-E216 VanDerWaalsContact OG1-CD 3.25Å; T208-E216 PolarHBondContact OG1-OE1 3.09Å; T208-E216 PolarHBondContact OG1-OE2 3.03Å
209	P	87.4	Confident	91.9	Very high	93 Å²	93	42.5 Å²	42.5	60%	0.604	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	122.8	-172.1	24.6	-34.1	0	0	0	111.1	I204 V211	I204-P209 WeakPolarHBondContact O-CA 3.41Å; P209-V211 VanDerWaalsContact C-N 3.27Å; P209-V211 PolarHBondContact O-N 3.38Å
210	G	86.6	Confident	91.9	Very high	11 Å²	11	41.6 Å²	41.6	11%	0.113	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	80	-3.6	177.3	0	0	0	0	0	116.1	I204 T208 L837 V838	I204-G210 PolarHBondContact O-N 2.64Å; I204-G210 VanDerWaalsContact O-N 3.14Å; T208-G210 PolarHBondContact O-N 3.11Å; T208-G210 VanDerWaalsContact O-N 3.13Å; G210-L837 WeakPolarHBondContact O-CA 3.34Å; G210-V838 CarbonylContact C-O 3.58Å; G210-V838 VanDerWaalsContact CA-O 3.25Å; G210-V838 WeakPolarHBondContact CA-O 3.2Å; G210-V838 PolarHBondContact O-N 2.75Å
211	V	91.8	Very high	92.1	Very high	30 Å²	30	45 Å²	45	18%	0.182	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-136.2	125.9	-176.8	-173.5	0	0	0	0	109.4	T208 P209 Q835 F836 L837	T208-V211 WeakPolarHBondContact CB-O 3.38Å; T208-V211 PolarHBondContact O-N 2.92Å; T208-V211 VanDerWaalsContact O-N 3.13Å; T208-V211 PolarHBondContact OG1-O 3.12Å; P209-V211 VanDerWaalsContact C-N 3.27Å; P209-V211 PolarHBondContact O-N 3.38Å; V211-Q835 HydrophobicContact CG1-CB 3.93Å; V211-Q835 HydrophobicContact CG1-CG 4.34Å; V211-F836 WeakPolarHBondContact CA-O 3.46Å; V211-L837 HydrophobicContact CG2-CD2 3.77Å
212	V	93.8	Very high	92.4	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.018	24%	0.24	C	C	.	.			trans	-100.4	118.2	175.9	174.1	0	0	0	0	109.3	E216 A217 W822 F836 V838	V212-E216 HydrophobicContact CG1-CB 4.38Å; V212-A217 HydrophobicContact CG1-CB 4.03Å; V212-W822 HydrophobicContact CG1-CE3 4.01Å; V212-W822 HydrophobicContact CG2-CE3 3.89Å; V212-W822 HydrophobicContact CG2-CZ3 3.93Å; V212-F836 HydrophobicContact CB-CD1 3.83Å; V212-F836 HydrophobicContact CB-CE1 4.23Å; V212-F836 HydrophobicContact CG1-CD1 4.33Å; V212-F836 PolarHBondContact N-O 2.82Å; V212-V838 HydrophobicContact CB-CG2 4.28Å; V212-V838 HydrophobicContact CG2-CB 3.99Å; V212-V838 HydrophobicContact CG2-CG2 3.64Å
213	E	94.3	Very high	92.6	Very high	89 Å²	89	44.5 Å²	44.5	42%	0.416	24%	0.235	S	C	.	.			trans	-78.4	156.8	178.2	-65.9	-169.6	175.1	0	0	111.8	T208 W215 E216 A217	T208-E213 HydrophobicContact CG2-CG 4.14Å; E213-W215 VanDerWaalsContact C-N 3.25Å; E213-W215 PolarHBondContact O-N 3.15Å; E213-W215 PolarHBondContact OE2-NE1 3.4Å; E213-E216 HydrophobicContact CB-CG 4.18Å; E213-E216 PolarHBondContact N-OE2 3.48Å; E213-E216 PolarHBondContact O-N 3.4Å; E213-E216 VanDerWaalsContact O-N 3.13Å; E213-A217 PolarHBondContact O-N 3.24Å; E213-A217 VanDerWaalsContact O-N 3.1Å
214	V	95.2	Very high	92.6	Very high	48 Å²	48	46 Å²	46	29%	0.291	24%	0.241	S	C	.	.	H	α-helix	trans	-57.5	-40.3	-179.1	-179.2	0	0	0	0	111.6	L218 A826 I827 A830	V214-L218 HydrophobicContact CG1-CD1 3.81Å; V214-L218 HydrophobicContact CG1-CG 4.29Å; V214-L218 WeakPolarHBondContact O-CB 3.48Å; V214-L218 VanDerWaalsContact O-CG 3.26Å; V214-L218 WeakPolarHBondContact O-CG 3.36Å; V214-L218 PolarHBondContact O-N 3.3Å; V214-A826 HydrophobicContact CG2-CB 4.07Å; V214-I827 HydrophobicContact CG1-CG1 3.97Å; V214-A830 HydrophobicContact CG2-CB 3.67Å
215	W	95.6	Very high	92.8	Very high	123 Å²	123	49 Å²	49	47%	0.466	26%	0.261	S	S	.	.	H	α-helix	trans	-70.5	-34.2	-179.4	73.3	-92.9	0	0	0	112.1	E213 L219	E213-W215 VanDerWaalsContact C-N 3.25Å; E213-W215 PolarHBondContact O-N 3.15Å; E213-W215 PolarHBondContact OE2-NE1 3.4Å; W215-L219 HydrophobicContact CE3-CD2 4.24Å; W215-L219 HydrophobicContact CZ3-CD2 3.98Å; W215-L219 WeakPolarHBondContact O-CB 3.46Å; W215-L219 PolarHBondContact O-N 2.77Å
216	E	94.9	Very high	93.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66.7	-44.7	177.6	-63.3	179.5	135	0	0	110.8	I203 F207 T208 V212 E213 L219 T220	I203-E216 HydrophobicContact CG2-CB 4.15Å; I203-E216 HydrophobicContact CG2-CG 4.4Å; F207-E216 WeakPolarHBondContact CB-OE1 3.2Å; T208-E216 VanDerWaalsContact OG1-CD 3.25Å; T208-E216 PolarHBondContact OG1-OE1 3.09Å; T208-E216 PolarHBondContact OG1-OE2 3.03Å; V212-E216 HydrophobicContact CG1-CB 4.38Å; E213-E216 HydrophobicContact CB-CG 4.18Å; E213-E216 PolarHBondContact N-OE2 3.48Å; E213-E216 PolarHBondContact O-N 3.4Å; E213-E216 VanDerWaalsContact O-N 3.13Å; E216-L219 PolarHBondContact O-N 3.42Å; E216-T220 WeakPolarHBondContact O-CB 3.25Å; E216-T220 PolarHBondContact O-N 3.03Å; E216-T220 PolarHBondContact O-OG1 3.29Å
217	A	94.7	Very high	93.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.1	-48.3	177	0	0	0	0	0	111.7	V212 E213 L219 T220 F221 W822 S823 A826	V212-A217 HydrophobicContact CG1-CB 4.03Å; E213-A217 PolarHBondContact O-N 3.24Å; E213-A217 VanDerWaalsContact O-N 3.1Å; A217-L219 VanDerWaalsContact C-N 3.35Å; A217-L219 PolarHBondContact O-N 3.27Å; A217-T220 WeakPolarHBondContact O-CB 3.12Å; A217-T220 PolarHBondContact O-N 3.43Å; A217-F221 PolarHBondContact O-N 2.93Å; A217-W822 HydrophobicContact CB-CB 4.04Å; A217-S823 PolarHBondContact O-OG 3.11Å; A217-S823 VanDerWaalsContact O-OG 3.1Å; A217-A826 HydrophobicContact CB-CB 4.18Å
218	L	96.4	Very high	93.4	Very high	63 Å²	63	42.7 Å²	42.7	33%	0.33	22%	0.224	S	C	.	.	H	α-helix	trans	-63.3	-39.7	177.3	-74.4	175.8	0	0	0	112.1	V214 T220 F221 I222 S823 I827	V214-L218 HydrophobicContact CG1-CD1 3.81Å; V214-L218 HydrophobicContact CG1-CG 4.29Å; V214-L218 WeakPolarHBondContact O-CB 3.48Å; V214-L218 VanDerWaalsContact O-CG 3.26Å; V214-L218 WeakPolarHBondContact O-CG 3.36Å; V214-L218 PolarHBondContact O-N 3.3Å; L218-T220 VanDerWaalsContact C-N 3.33Å; L218-F221 PolarHBondContact O-N 3.43Å; L218-I222 WeakPolarHBondContact O-CB 3.45Å; L218-I222 VanDerWaalsContact O-CG1 3.23Å; L218-I222 WeakPolarHBondContact O-CG1 3.49Å; L218-I222 PolarHBondContact O-N 2.84Å; L218-S823 PolarHBondContact N-OG 2.94Å; L218-I827 HydrophobicContact CD2-CD1 4.36Å
219	L	96.3	Very high	93.5	Very high	50 Å²	50	46 Å²	46	26%	0.262	24%	0.24	S	C	.	.	H	α-helix	trans	-65.6	-39.6	177.4	-176.6	61.1	0	0	0	111.2	W199 W215 E216 A217 F221 I222 F223	W199-L219 HydrophobicContact CH2-CD2 3.8Å; W199-L219 HydrophobicContact CZ2-CD2 3.76Å; W199-L219 HydrophobicContact CZ2-CG 4.3Å; W215-L219 HydrophobicContact CE3-CD2 4.24Å; W215-L219 HydrophobicContact CZ3-CD2 3.98Å; W215-L219 WeakPolarHBondContact O-CB 3.46Å; W215-L219 PolarHBondContact O-N 2.77Å; E216-L219 PolarHBondContact O-N 3.42Å; A217-L219 VanDerWaalsContact C-N 3.35Å; A217-L219 PolarHBondContact O-N 3.27Å; L219-F221 VanDerWaalsContact C-N 3.28Å; L219-F221 PolarHBondContact O-N 3.31Å; L219-I222 CarbonylContact O-C 3.59Å; L219-I222 PolarHBondContact O-N 3.35Å; L219-F223 HydrophobicContact CD1-CE1 4.03Å; L219-F223 HydrophobicContact CD1-CZ 4Å; L219-F223 HydrophobicContact CD2-CE2 4.29Å; L219-F223 HydrophobicContact CD2-CZ 3.95Å; L219-F223 HydrophobicContact CG-CD2 4.47Å; L219-F223 HydrophobicContact CG-CE1 4.23Å; L219-F223 HydrophobicContact CG-CE2 3.85Å; L219-F223 HydrophobicContact CG-CZ 3.7Å; L219-F223 WeakPolarHBondContact O-CD2 3.19Å; L219-F223 WeakPolarHBondContact O-CG 3.03Å; L219-F223 PolarHBondContact O-N 2.97Å
220	T	95.5	Very high	93.6	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-57.8	-43.1	173.2	-54.6	0	0	0	0	111	W199 E216 A217 L218 F223 F815	W199-T220 PolarHBondContact NE1-OG1 3.32Å; E216-T220 WeakPolarHBondContact O-CB 3.25Å; E216-T220 PolarHBondContact O-N 3.03Å; E216-T220 PolarHBondContact O-OG1 3.29Å; A217-T220 WeakPolarHBondContact O-CB 3.12Å; A217-T220 PolarHBondContact O-N 3.43Å; L218-T220 VanDerWaalsContact C-N 3.33Å; T220-F223 PolarHBondContact O-N 3.37Å; T220-F815 HydrophobicContact CG2-CD1 4.34Å
221	F	95.3	Very high	93.6	Very high	73 Å²	73	43 Å²	43	32%	0.32	22%	0.219	S	C	.	.	H	α-helix	trans	-67.1	-41	174.6	-178.6	-130.3	0	0	0	112.9	A217 L218 L219 F223 F224 P225 F815 L816	A217-F221 PolarHBondContact O-N 2.93Å; L218-F221 PolarHBondContact O-N 3.43Å; L219-F221 VanDerWaalsContact C-N 3.28Å; L219-F221 PolarHBondContact O-N 3.31Å; F221-F223 VanDerWaalsContact C-N 3.26Å; F221-F223 PolarHBondContact O-N 2.93Å; F221-F224 WeakPolarHBondContact O-CB 3.42Å; F221-F224 PolarHBondContact O-N 3.07Å; F221-F224 VanDerWaalsContact O-N 3.17Å; F221-P225 WeakPolarHBondContact O-CD 3.49Å; F221-F815 WeakPolarHBondContact CA-O 3.46Å; F221-L816 HydrophobicContact CD2-CD1 4.14Å; F221-L816 HydrophobicContact CE2-CD1 3.57Å
222	I	95.8	Very high	93.3	Very high	84 Å²	84	46.3 Å²	46.3	43%	0.431	23%	0.228	S	C	.	.	H	α-helix	trans	-67.7	-23.7	177.4	-70	164.8	0	0	0	112.2	L218 L219 F224 P225 I226	L218-I222 WeakPolarHBondContact O-CB 3.45Å; L218-I222 VanDerWaalsContact O-CG1 3.23Å; L218-I222 WeakPolarHBondContact O-CG1 3.49Å; L218-I222 PolarHBondContact O-N 2.84Å; L219-I222 CarbonylContact O-C 3.59Å; L219-I222 PolarHBondContact O-N 3.35Å; I222-F224 PolarHBondContact O-N 3.36Å; I222-P225 WeakPolarHBondContact O-CD 3.37Å; I222-P225 WeakPolarHBondContact O-CG 3.47Å; I222-I226 HydrophobicContact CG2-CD1 3.8Å; I222-I226 HydrophobicContact CG2-CG1 4.34Å; I222-I226 WeakPolarHBondContact O-CG1 3.44Å; I222-I226 PolarHBondContact O-N 2.81Å
223	F	95.2	Very high	93	Very high	24 Å²	24	49.1 Å²	49.1	11%	0.105	24%	0.243	C	C	.	.	H	α-helix	trans	-63	-23.9	173	-74.1	-39.9	0	0	0	113.2	W192 F195 W199 L219 T220 F221 I226 I227 F815	W192-F223 HydrophobicContact CH2-CD1 4.15Å; W192-F223 HydrophobicContact CZ3-CB 4.34Å; W192-F223 AromaticContact CZ3-CD1 3.89Å; W192-F223 HydrophobicContact CZ3-CD1 3.89Å; W192-F223 HydrophobicContact CZ3-CE1 4.46Å; W192-F223 HydrophobicContact CZ3-CG 4.16Å; F195-F223 HydrophobicContact CE1-CD2 4.29Å; F195-F223 AromaticContact CE1-CE2 3.99Å; F195-F223 HydrophobicContact CE1-CE2 3.99Å; F195-F223 HydrophobicContact CE1-CZ 4.19Å; F195-F223 HydrophobicContact CZ-CE2 4.37Å; F195-F223 HydrophobicContact CZ-CZ 4.42Å; W199-F223 AromaticContact CD2-CE2 3.73Å; W199-F223 HydrophobicContact CD2-CE2 3.73Å; W199-F223 AromaticContact CE2-CE2 3.59Å; W199-F223 HydrophobicContact CE3-CE2 4.15Å; W199-F223 HydrophobicContact CG-CE2 4.15Å; W199-F223 HydrophobicContact CH2-CE2 4.31Å; W199-F223 AromaticContact CZ2-CE2 3.92Å; W199-F223 HydrophobicContact CZ2-CE2 3.92Å; W199-F223 HydrophobicContact CZ3-CE2 4.41Å; W199-F223 AromaticContact NE1-CE2 3.87Å; L219-F223 HydrophobicContact CD1-CE1 4.03Å; L219-F223 HydrophobicContact CD1-CZ 4Å; L219-F223 HydrophobicContact CD2-CE2 4.29Å; L219-F223 HydrophobicContact CD2-CZ 3.95Å; L219-F223 HydrophobicContact CG-CD2 4.47Å; L219-F223 HydrophobicContact CG-CE1 4.23Å; L219-F223 HydrophobicContact CG-CE2 3.85Å; L219-F223 HydrophobicContact CG-CZ 3.7Å; L219-F223 WeakPolarHBondContact O-CD2 3.19Å; L219-F223 WeakPolarHBondContact O-CG 3.03Å; L219-F223 PolarHBondContact O-N 2.97Å; T220-F223 PolarHBondContact O-N 3.37Å; F221-F223 VanDerWaalsContact C-N 3.26Å; F221-F223 PolarHBondContact O-N 2.93Å; F223-I226 HydrophobicContact CD1-CD1 3.92Å; F223-I226 HydrophobicContact CE1-CD1 4.41Å; F223-I226 PolarHBondContact O-N 3.16Å; F223-I227 WeakPolarHBondContact O-CG2 3.47Å; F223-I227 PolarHBondContact O-N 3.19Å; F223-F815 HydrophobicContact CB-CD1 3.5Å; F223-F815 VanDerWaalsContact CB-CD1 3.5Å; F223-F815 HydrophobicContact CB-CD2 4.39Å; F223-F815 HydrophobicContact CB-CE1 3.58Å; F223-F815 HydrophobicContact CB-CE2 4.46Å; F223-F815 HydrophobicContact CB-CG 3.94Å; F223-F815 HydrophobicContact CB-CZ 4.09Å; F223-F815 HydrophobicContact CD2-CD1 4.23Å; F223-F815 AromaticContact CD2-CE1 3.86Å; F223-F815 HydrophobicContact CD2-CE1 3.86Å; F223-F815 HydrophobicContact CG-CD1 4.35Å; F223-F815 HydrophobicContact CG-CE1 4.09Å
224	F	93.6	Very high	92.4	Very high	32 Å²	32	45.7 Å²	45.7	14%	0.14	23%	0.23	C	C	.	.	H	α-helix	trans	-62.5	-54.7	175.1	177.3	-116.2	0	0	0	113.5	T120 F221 I222 I226 I227 V228 V812 F815	T120-F224 HydrophobicContact CG2-CZ 4.18Å; F221-F224 WeakPolarHBondContact O-CB 3.42Å; F221-F224 PolarHBondContact O-N 3.07Å; F221-F224 VanDerWaalsContact O-N 3.17Å; I222-F224 PolarHBondContact O-N 3.36Å; F224-I226 PolarHBondContact O-N 2.95Å; F224-I227 WeakPolarHBondContact O-CG2 3.25Å; F224-I227 PolarHBondContact O-N 3.47Å; F224-V228 HydrophobicContact CE2-CG2 4.24Å; F224-V228 HydrophobicContact CZ-CG2 4.45Å; F224-V228 VanDerWaalsContact O-CG2 3.27Å; F224-V228 WeakPolarHBondContact O-CG2 3.39Å; F224-V228 PolarHBondContact O-N 3.32Å; F224-V812 HydrophobicContact CD2-CG2 4.18Å; F224-V812 HydrophobicContact CE2-CB 4.5Å; F224-V812 HydrophobicContact CE2-CG1 4.15Å; F224-V812 HydrophobicContact CE2-CG2 3.7Å; F224-F815 HydrophobicContact CB-CB 3.85Å
225	P	93.5	Very high	91.7	Very high	63 Å²	63	45.1 Å²	45.1	41%	0.409	23%	0.225	S	C	.	.	H	α-helix	trans	-63.6	-30.1	173.2	20.9	-30.9	0	0	0	112.8	F221 I222 V228 I229	F221-P225 WeakPolarHBondContact O-CD 3.49Å; I222-P225 WeakPolarHBondContact O-CD 3.37Å; I222-P225 WeakPolarHBondContact O-CG 3.47Å; P225-V228 PolarHBondContact O-N 2.97Å; P225-I229 VanDerWaalsContact O-CG1 3.3Å; P225-I229 WeakPolarHBondContact O-CG1 3.45Å; P225-I229 PolarHBondContact O-N 3.15Å
226	I	93.4	Very high	90.6	Very high	59 Å²	59	41.1 Å²	41.1	30%	0.303	21%	0.214	S	C	.	.	H	α-helix	trans	-64.1	-48.2	177.1	-68	169.8	0	0	0	111.5	W192 I222 F223 F224 V228 I229 C230	W192-I226 HydrophobicContact CH2-CG2 3.82Å; W192-I226 HydrophobicContact CZ2-CG2 3.95Å; I222-I226 HydrophobicContact CG2-CD1 3.8Å; I222-I226 HydrophobicContact CG2-CG1 4.34Å; I222-I226 WeakPolarHBondContact O-CG1 3.44Å; I222-I226 PolarHBondContact O-N 2.81Å; F223-I226 HydrophobicContact CD1-CD1 3.92Å; F223-I226 HydrophobicContact CE1-CD1 4.41Å; F223-I226 PolarHBondContact O-N 3.16Å; F224-I226 PolarHBondContact O-N 2.95Å; I226-V228 VanDerWaalsContact C-N 3.27Å; I226-V228 PolarHBondContact O-N 3Å; I226-I229 PolarHBondContact O-N 3.48Å; I226-C230 WeakPolarHBondContact O-CB 3.18Å; I226-C230 PolarHBondContact O-N 3.31Å; I226-C230 PolarHBondContact O-SG 3.48Å
227	I	91.7	Very high	89.2	Confident	5 Å²	5	46.7 Å²	46.7	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-39.3	177.5	-175.1	-175.1	0	0	0	111	W192 F223 F224 C230 A231 A811 F815	W192-I227 HydrophobicContact CB-CB 4.45Å; W192-I227 HydrophobicContact CB-CD1 3.36Å; W192-I227 HydrophobicContact CB-CG1 3.75Å; W192-I227 HydrophobicContact CD2-CB 4.21Å; W192-I227 HydrophobicContact CD2-CG1 4.3Å; W192-I227 HydrophobicContact CG-CB 4.18Å; W192-I227 HydrophobicContact CG-CD1 3.95Å; W192-I227 HydrophobicContact CG-CG1 3.73Å; F223-I227 WeakPolarHBondContact O-CG2 3.47Å; F223-I227 PolarHBondContact O-N 3.19Å; F224-I227 WeakPolarHBondContact O-CG2 3.25Å; F224-I227 PolarHBondContact O-N 3.47Å; I227-C230 PolarHBondContact O-N 3.34Å; I227-A231 WeakPolarHBondContact O-CB 3.32Å; I227-A231 PolarHBondContact O-N 2.97Å; I227-A811 HydrophobicContact CD1-CB 3.88Å; I227-F815 HydrophobicContact CG2-CD2 4.34Å
228	V	91.2	Very high	87.2	Confident	16 Å²	16	50.7 Å²	50.7	10%	0.097	26%	0.259	C	S	.	.	H	α-helix	trans	-62.4	-46.4	178.3	174.4	0	0	0	0	111	V116 T120 F224 P225 I226 A231 Y232	V116-V228 HydrophobicContact CB-CG1 4.46Å; V116-V228 HydrophobicContact CG1-CG1 3.82Å; V116-V228 HydrophobicContact CG2-CG1 4.25Å; T120-V228 HydrophobicContact CG2-CB 4.23Å; T120-V228 HydrophobicContact CG2-CG1 3.67Å; T120-V228 HydrophobicContact CG2-CG2 3.46Å; T120-V228 VanDerWaalsContact CG2-CG2 3.46Å; F224-V228 HydrophobicContact CE2-CG2 4.24Å; F224-V228 HydrophobicContact CZ-CG2 4.45Å; F224-V228 VanDerWaalsContact O-CG2 3.27Å; F224-V228 WeakPolarHBondContact O-CG2 3.39Å; F224-V228 PolarHBondContact O-N 3.32Å; P225-V228 PolarHBondContact O-N 2.97Å; I226-V228 VanDerWaalsContact C-N 3.27Å; I226-V228 PolarHBondContact O-N 3Å; V228-A231 PolarHBondContact O-N 3.25Å; V228-Y232 WeakPolarHBondContact O-CB 3.43Å; V228-Y232 PolarHBondContact O-N 3.33Å
229	I	90.8	Very high	84.7	Confident	100 Å²	100	54.1 Å²	54.1	51%	0.513	27%	0.272	S	S	.	.	H	α-helix	trans	-63.5	-44.3	176.1	-67.1	165.8	0	0	0	110.5	P225 I226 A231 Y232 L233	P225-I229 VanDerWaalsContact O-CG1 3.3Å; P225-I229 WeakPolarHBondContact O-CG1 3.45Å; P225-I229 PolarHBondContact O-N 3.15Å; I226-I229 PolarHBondContact O-N 3.48Å; I229-A231 VanDerWaalsContact C-N 3.32Å; I229-A231 PolarHBondContact O-N 3.01Å; I229-Y232 PolarHBondContact O-N 3.5Å; I229-L233 HydrophobicContact CG2-CD1 4Å; I229-L233 HydrophobicContact CG2-CG 4.33Å; I229-L233 WeakPolarHBondContact O-CB 3.22Å; I229-L233 VanDerWaalsContact O-CG 3.27Å; I229-L233 WeakPolarHBondContact O-CG 3.29Å; I229-L233 PolarHBondContact O-N 2.95Å
230	C	89.8	Confident	82.2	Confident	41 Å²	41	57.3 Å²	57.3	28%	0.277	28%	0.284	S	S	.	.	H	α-helix	trans	-60.6	-42.2	178.2	-68.6	0	0	0	0	112	I188 I226 I227 L233 A234	I188-C230 HydrophobicContact CG2-CB 4.26Å; I226-C230 WeakPolarHBondContact O-CB 3.18Å; I226-C230 PolarHBondContact O-N 3.31Å; I226-C230 PolarHBondContact O-SG 3.48Å; I227-C230 PolarHBondContact O-N 3.34Å; C230-L233 PolarHBondContact O-N 2.9Å; C230-A234 WeakPolarHBondContact O-CB 3.4Å; C230-A234 PolarHBondContact O-N 2.94Å
231	A	86.6	Confident	79.8	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-67.7	-41.7	177.5	0	0	0	0	0	112	T115 L119 I227 V228 I229 L233 A234 D235	T115-A231 HydrophobicContact CG2-CB 3.9Å; L119-A231 HydrophobicContact CD1-CB 3.17Å; I227-A231 WeakPolarHBondContact O-CB 3.32Å; I227-A231 PolarHBondContact O-N 2.97Å; V228-A231 PolarHBondContact O-N 3.25Å; I229-A231 VanDerWaalsContact C-N 3.32Å; I229-A231 PolarHBondContact O-N 3.01Å; A231-L233 PolarHBondContact O-N 3.03Å; A231-A234 WeakPolarHBondContact O-CB 3.43Å; A231-A234 PolarHBondContact O-N 3.39Å; A231-D235 WeakPolarHBondContact O-CB 3.21Å; A231-D235 PolarHBondContact O-N 2.92Å
232	Y	86.6	Confident	77	Confident	98 Å²	98	68 Å²	68	38%	0.384	33%	0.33	S	S	.	.	H	α-helix	trans	-59.3	-44.7	173.6	176.5	-105.6	0	0	0	112.2	N113 V116 V228 I229 A234 D235 T236	N113-Y232 HydrophobicContact CB-CD2 4Å; N113-Y232 HydrophobicContact CB-CE2 3.94Å; V116-Y232 HydrophobicContact CG2-CD2 3.68Å; V116-Y232 HydrophobicContact CG2-CG 4.06Å; V228-Y232 WeakPolarHBondContact O-CB 3.43Å; V228-Y232 PolarHBondContact O-N 3.33Å; I229-Y232 PolarHBondContact O-N 3.5Å; Y232-A234 VanDerWaalsContact C-N 3.27Å; Y232-A234 PolarHBondContact O-N 2.84Å; Y232-D235 PolarHBondContact O-N 3Å; Y232-T236 HydrophobicContact CD1-CG2 4.41Å; Y232-T236 HydrophobicContact CD2-CG2 3.98Å; Y232-T236 HydrophobicContact CE1-CG2 4Å; Y232-T236 HydrophobicContact CE2-CG2 3.53Å; Y232-T236 HydrophobicContact CG-CG2 4.4Å; Y232-T236 WeakPolarHBondContact O-CB 3.41Å; Y232-T236 WeakPolarHBondContact O-CG2 3.14Å; Y232-T236 PolarHBondContact O-N 3.26Å; Y232-T236 PolarHBondContact O-OG1 3.07Å
233	L	86.7	Confident	73.9	Confident	62 Å²	62	72.2 Å²	72.2	33%	0.325	35%	0.346	S	S	.	.	H	α-helix	trans	-64.8	-31.8	177.1	-69.6	175.6	0	0	0	112.7	I229 C230 A231 T236	I229-L233 HydrophobicContact CG2-CD1 4Å; I229-L233 HydrophobicContact CG2-CG 4.33Å; I229-L233 WeakPolarHBondContact O-CB 3.22Å; I229-L233 VanDerWaalsContact O-CG 3.27Å; I229-L233 WeakPolarHBondContact O-CG 3.29Å; I229-L233 PolarHBondContact O-N 2.95Å; C230-L233 PolarHBondContact O-N 2.9Å; A231-L233 PolarHBondContact O-N 3.03Å; L233-T236 PolarHBondContact O-OG1 3.21Å
234	A	82.5	Confident	71.1	Confident	18 Å²	18	75.4 Å²	75.4	15%	0.149	36%	0.363	C	S	.	.	H	α-helix	trans	-73.2	-39.2	176.5	0	0	0	0	0	112.8	I188 C230 A231 Y232	I188-A234 HydrophobicContact CD1-CB 3.23Å; C230-A234 WeakPolarHBondContact O-CB 3.4Å; C230-A234 PolarHBondContact O-N 2.94Å; A231-A234 WeakPolarHBondContact O-CB 3.43Å; A231-A234 PolarHBondContact O-N 3.39Å; Y232-A234 VanDerWaalsContact C-N 3.27Å; Y232-A234 PolarHBondContact O-N 2.84Å
235	D	78.7	Confident	68.3	Low	35 Å²	35	82.8 Å²	82.8	19%	0.187	40%	0.395	C	S	.	.	H	α-helix	trans	-73	-44.5	-179.5	-170.5	42.8	0	0	0	112.3	N113 T115 H182 V185 A231 Y232 K237	N113-D235 PolarHBondContact ND2-OD2 3.05Å; T115-D235 HydrophobicContact CG2-CB 4.22Å; T115-D235 WeakPolarHBondContact OG1-CB 3.32Å; T115-D235 PolarHBondContact OG1-OD1 3.45Å; T115-D235 PolarHBondContact OG1-OD2 3.32Å; H182-D235 IonicContact ND1-OD1 2.58Å; V185-D235 HydrophobicContact CG2-CB 4.13Å; A231-D235 WeakPolarHBondContact O-CB 3.21Å; A231-D235 PolarHBondContact O-N 2.92Å; Y232-D235 PolarHBondContact O-N 3Å; D235-K237 PolarHBondContact O-N 3.37Å
236	T	73.5	Confident	65.4	Low	39 Å²	39	89.2 Å²	89.2	24%	0.239	42%	0.417	C	S	.	.	S	Bend	trans	-65.7	-7.8	176.7	53.4	0	0	0	0	113.9	Y232 L233 I238	Y232-T236 HydrophobicContact CD1-CG2 4.41Å; Y232-T236 HydrophobicContact CD2-CG2 3.98Å; Y232-T236 HydrophobicContact CE1-CG2 4Å; Y232-T236 HydrophobicContact CE2-CG2 3.53Å; Y232-T236 HydrophobicContact CG-CG2 4.4Å; Y232-T236 WeakPolarHBondContact O-CB 3.41Å; Y232-T236 WeakPolarHBondContact O-CG2 3.14Å; Y232-T236 PolarHBondContact O-N 3.26Å; Y232-T236 PolarHBondContact O-OG1 3.07Å; L233-T236 PolarHBondContact O-OG1 3.21Å; T236-I238 PolarHBondContact O-N 3.4Å
237	K	65.4	Low	62.4	Low	117 Å²	117	95.1 Å²	95.1	51%	0.509	44%	0.44	S	S	.	.			trans	52.1	20	177.1	-67	175.4	-174.7	170.9	0	114.7	D235 F239 F240 K241	D235-K237 PolarHBondContact O-N 3.37Å; K237-F239 PolarHBondContact O-N 3Å; K237-F239 VanDerWaalsContact O-N 3.17Å; K237-F240 PolarHBondContact O-N 3.4Å; K237-K241 PolarHBondContact O-N 3.25Å
238	I	53.3	Low	59.2	Low	85 Å²	85	104.6 Å²	104.6	44%	0.436	48%	0.477	S	S	.	.	H	α-helix	trans	-54.9	-40.1	-175.9	-69.8	171	0	0	0	111.3	T236 K242	T236-I238 PolarHBondContact O-N 3.4Å; I238-K242 PolarHBondContact O-N 3.2Å
239	F	43.6	Very low	56	Low	135 Å²	135	115.5 Å²	115.5	59%	0.592	52%	0.516	S	S	*	.	H	α-helix	trans	-71.2	-37.1	178.2	-78.5	-84	0	0	0	113.3	K237 F243	K237-F239 PolarHBondContact O-N 3Å; K237-F239 VanDerWaalsContact O-N 3.17Å; F239-F243 PolarHBondContact O-N 3.06Å
240	F	44.2	Very low	53.1	Low	117 Å²	117	115.2 Å²	115.2	51%	0.513	53%	0.529	S	S	.	.	H	α-helix	trans	-78.2	-35.8	-178.9	-77.8	-74.1	0	0	0	112.8	K237 K242 F243 L244	K237-F240 PolarHBondContact O-N 3.4Å; F240-K242 VanDerWaalsContact C-N 3.31Å; F240-K242 PolarHBondContact O-N 3.19Å; F240-F243 PolarHBondContact O-N 3.04Å; F240-L244 HydrophobicContact CB-CD1 4.11Å; F240-L244 HydrophobicContact CD1-CD1 4.27Å; F240-L244 VanDerWaalsContact O-CB 3.26Å; F240-L244 WeakPolarHBondContact O-CB 3.29Å; F240-L244 PolarHBondContact O-N 3.38Å
241	K	43.7	Very low	50.2	Low	126 Å²	126	119.6 Å²	119.6	55%	0.548	56%	0.555	S	S	.	*	H	α-helix	trans	-66.4	-31.9	174.4	-77.2	-175.1	177.9	177.1	0	112.1	K237 K245	K237-K241 PolarHBondContact O-N 3.25Å; K241-K245 WeakPolarHBondContact O-CB 3.36Å; K241-K245 VanDerWaalsContact O-CG 3.24Å; K241-K245 WeakPolarHBondContact O-CG 3.22Å; K241-K245 PolarHBondContact O-N 2.93Å
242	K	37.2	Very low	47.4	Very low	171 Å²	171	125.1 Å²	125.1	74%	0.743	60%	0.6	S	S	*	*	H	α-helix	trans	-69.5	-37.1	171.4	-94	-177.1	176.9	175.9	0	112.9	I238 F240	I238-K242 PolarHBondContact O-N 3.2Å; F240-K242 VanDerWaalsContact C-N 3.31Å; F240-K242 PolarHBondContact O-N 3.19Å
243	F	31.5	Very low	44.6	Very low	174 Å²	174	127.6 Å²	127.6	76%	0.763	62%	0.619	S	S	*	*	H	α-helix	trans	-84.7	-34.9	-179.4	-94.3	-88.5	0	0	0	114.7	F239 F240 K245	F239-F243 PolarHBondContact O-N 3.06Å; F240-F243 PolarHBondContact O-N 3.04Å; F243-K245 VanDerWaalsContact C-N 3.32Å; F243-K245 PolarHBondContact O-N 3.3Å
244	L	36.6	Very low	41.7	Very low	90 Å²	90	132.7 Å²	132.7	47%	0.471	64%	0.644	S	S	.	*	H	α-helix	trans	-78.2	-12.8	177.5	-87.1	141.6	0	0	0	113.7	F240 K246 K247 Y248	F240-L244 HydrophobicContact CB-CD1 4.11Å; F240-L244 HydrophobicContact CD1-CD1 4.27Å; F240-L244 VanDerWaalsContact O-CB 3.26Å; F240-L244 WeakPolarHBondContact O-CB 3.29Å; F240-L244 PolarHBondContact O-N 3.38Å; L244-K246 PolarHBondContact O-N 2.86Å; L244-K247 PolarHBondContact O-N 2.93Å; L244-K247 VanDerWaalsContact O-N 3.17Å; L244-Y248 HydrophobicContact CD2-CD2 4.11Å; L244-Y248 HydrophobicContact CD2-CE2 4.14Å
245	K	34.7	Very low	39.1	Very low	187 Å²	187	142.1 Å²	142.1	81%	0.813	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	-5.9	171.8	-98.3	-179.8	-178.7	-170.3	0	114.3	K241 F243	K241-K245 WeakPolarHBondContact O-CB 3.36Å; K241-K245 VanDerWaalsContact O-CG 3.24Å; K241-K245 WeakPolarHBondContact O-CG 3.22Å; K241-K245 PolarHBondContact O-N 2.93Å; F243-K245 VanDerWaalsContact C-N 3.32Å; F243-K245 PolarHBondContact O-N 3.3Å
246	K	32.7	Very low	36.7	Very low	198 Å²	198	145.1 Å²	145.1	86%	0.861	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	1.9	175.8	-111.2	-177.5	-179.2	-179.4	0	117.3	L244	L244-K246 PolarHBondContact O-N 2.86Å
247	K	28.7	Very low	34.8	Very low	183 Å²	183	147.6 Å²	147.6	80%	0.796	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.7	2.5	-177.1	-109.6	-178.2	-178.4	-178.5	0	120.1	L244	L244-K247 PolarHBondContact O-N 2.93Å; L244-K247 VanDerWaalsContact O-N 3.17Å
248	Y	24.9	Very low	32.9	Very low	204 Å²	204	149.9 Å²	149.9	80%	0.8	75%	0.753	S	S	*	*			trans	-109.9	76.2	170.5	-85.4	-91.9	0	0	0	111.4	L244	L244-Y248 HydrophobicContact CD2-CD2 4.11Å; L244-Y248 HydrophobicContact CD2-CE2 4.14Å
249	R	24.5	Very low	31.7	Very low	245 Å²	245	149.2 Å²	149.2	93%	0.925	77%	0.767	S	S	*	*			trans	-120	131	155.8	-132.8	179.9	-176.7	176.8	0.3	104.8
250	A	29.8	Very low	31	Very low	94 Å²	94	150.7 Å²	150.7	78%	0.777	78%	0.781	S	S	*	*	S	Bend	trans	78.7	75.7	176.6	0	0	0	0	0	118.1
251	T	28.3	Very low	30.4	Very low	134 Å²	134	153.4 Å²	153.4	82%	0.822	80%	0.8	S	S	*	*			trans	-167.6	67.2	137.5	-0.5	0	0	0	0	110.5
252	A	28.1	Very low	29.8	Very low	115 Å²	115	156.1 Å²	156.1	95%	0.95	82%	0.815	S	S	*	*			trans	-135.9	30.6	164.4	0	0	0	0	0	110.5
253	L	28.3	Very low	29.3	Very low	150 Å²	150	154.6 Å²	154.6	79%	0.785	81%	0.814	S	S	*	*			trans	-115.8	131.6	171.9	-143.8	146.9	0	0	0	105.4
254	M	25.9	Very low	29.2	Very low	170 Å²	170	152.9 Å²	152.9	84%	0.837	82%	0.818	S	S	*	*			trans	87.3	81.8	-179.4	-58.2	-173.7	170.9	0	0	117.8
255	K	27.6	Very low	28.8	Very low	216 Å²	216	154.6 Å²	154.6	94%	0.939	83%	0.828	S	S	*	*				-135.3	69.6	125.3	-108	-175.4	-179.9	-178.5	0	108.6	A257	K255-A257 PolarHBondContact O-N 3.2Å
256	A	28.1	Very low	28.4	Very low	97 Å²	97	154.8 Å²	154.8	80%	0.802	83%	0.831	S	S	*	*			trans	-81.5	101.2	158.4	0	0	0	0	0	106.3
257	A	33.2	Very low	28.1	Very low	92 Å²	92	151.2 Å²	151.2	76%	0.76	83%	0.826	S	S	*	*			trans	-97.1	96.6	167	0	0	0	0	0	107.2	K255	K255-A257 PolarHBondContact O-N 3.2Å
258	N	26.3	Very low	28	Very low	164 Å²	164	151.1 Å²	151.1	88%	0.877	83%	0.829	S	S	*	*	S	Bend	trans	40.7	120.7	153.8	-62	-6.9	0	0	0	120.2
259	G	29	Very low	28	Very low	71 Å²	71	150 Å²	150	73%	0.732	83%	0.831	S	S	*	*			trans	137.9	78.1	146.2	0	0	0	0	0	114.6
260	D	27.5	Very low	28	Very low	166 Å²	166	143.6 Å²	143.6	89%	0.888	82%	0.819	S	S	*	*			trans	25.9	97.7	152.7	-55.2	-21.2	0	0	0	118
261	L	32.8	Very low	27.7	Very low	174 Å²	174	145.2 Å²	145.2	91%	0.911	82%	0.819	S	S	*	*			trans	-136.2	120	153.8	-155.3	73.1	0	0	0	109.3	L263	L261-L263 PolarHBondContact O-N 3.46Å
262	E	29.4	Very low	27.7	Very low	183 Å²	183	147.6 Å²	147.6	86%	0.855	81%	0.814	S	S	*	*			trans	-58.7	120.4	-176.4	-65.7	-178.9	150.2	0	0	111	T264	E262-T264 PolarHBondContact O-N 3.18Å
263	L	26.6	Very low	27.7	Very low	139 Å²	139	146 Å²	146	73%	0.728	80%	0.8	S	S	*	*			trans	-63.7	98.2	-178.4	-172.1	75.8	0	0	0	110.4	L261 N265	L261-L263 PolarHBondContact O-N 3.46Å; L263-N265 PolarHBondContact O-N 3.37Å
264	T	29.6	Very low	28	Very low	139 Å²	139	144 Å²	144	85%	0.853	80%	0.796	S	S	*	*			trans	-76	111.2	163.6	-1.6	0	0	0	0	108	E262 H266	E262-T264 PolarHBondContact O-N 3.18Å; T264-H266 PolarHBondContact O-N 2.98Å
265	N	28.3	Very low	28.2	Very low	126 Å²	126	141.1 Å²	141.1	67%	0.674	79%	0.789	S	S	*	*	S	Bend	trans	-60.8	95.7	-176.4	-75	-31.6	0	0	0	112.7	L263	L263-N265 PolarHBondContact O-N 3.37Å
266	H	26.6	Very low	28.6	Very low	190 Å²	190	136.5 Å²	136.5	88%	0.88	77%	0.774	S	S	*	*			trans	-157.5	65.8	150.4	-81.3	-62.2	0	0	0	109.9	T264	T264-H266 PolarHBondContact O-N 2.98Å
267	T	26.7	Very low	29.2	Very low	124 Å²	124	134.2 Å²	134.2	76%	0.761	76%	0.76	S	S	*	*			trans	-93.7	95.5	164.4	46	0	0	0	0	108.6	E269	T267-E269 PolarHBondContact O-N 3.26Å
268	E	26.2	Very low	29.6	Very low	181 Å²	181	137 Å²	137	85%	0.846	76%	0.757	S	S	*	*			trans	-66.3	113.6	161.1	-78.4	-173.8	151.6	0	0	108.6	V270	E268-V270 PolarHBondContact O-N 3.46Å
269	E	24.3	Very low	30.4	Very low	181 Å²	181	131.2 Å²	131.2	85%	0.846	73%	0.73	S	S	*	*			trans	-67.5	91.2	172.7	-77.4	-175.9	139.8	0	0	110.3	T267 T271	T267-E269 PolarHBondContact O-N 3.26Å; E269-T271 PolarHBondContact O-N 3.23Å
270	V	26	Very low	31.3	Very low	110 Å²	110	131.7 Å²	131.7	67%	0.667	72%	0.715	S	S	*	*			trans	-72.5	100.2	168.3	-178.2	0	0	0	0	108.9	E268 Y272	E268-V270 PolarHBondContact O-N 3.46Å; V270-Y272 WeakPolarHBondContact O-CD2 3.44Å; V270-Y272 PolarHBondContact O-N 3.05Å
271	T	23.7	Very low	32.6	Very low	127 Å²	127	126 Å²	126	78%	0.779	69%	0.691	S	S	*	*			trans	-75.3	112.3	177.8	-51.9	0	0	0	0	109.8	E269 A273	E269-T271 PolarHBondContact O-N 3.23Å; T271-A273 PolarHBondContact O-N 3.07Å
272	Y	27.8	Very low	33.5	Very low	185 Å²	185	120.4 Å²	120.4	73%	0.725	66%	0.66	S	S	*	*			trans	-72.9	106.5	179.5	-73.7	-96.5	0	0	0	111.9	V270	V270-Y272 WeakPolarHBondContact O-CD2 3.44Å; V270-Y272 PolarHBondContact O-N 3.05Å
273	A	28.1	Very low	34.7	Very low	80 Å²	80	114 Å²	114	66%	0.661	63%	0.631	S	S	*	*			trans	-93.9	116.8	156.1	0	0	0	0	0	108.7	T271	T271-A273 PolarHBondContact O-N 3.07Å
274	P	35.2	Very low	36.2	Very low	108 Å²	108	110.1 Å²	110.1	70%	0.701	62%	0.615	S	S	*	*			trans	-94.2	107.6	-176.4	33.3	-27.4	0	0	0	110.9
275	T	29.4	Very low	37.6	Very low	110 Å²	110	109.1 Å²	109.1	68%	0.675	60%	0.601	S	S	*	*			trans	-98.2	132.9	156.3	-37.4	0	0	0	0	107
276	D	35.9	Very low	39.2	Very low	120 Å²	120	105.1 Å²	105.1	64%	0.642	58%	0.577	S	S	*	*			trans	65.5	92.4	172.8	-50.6	-29.2	0	0	0	117.4	E278 S279	D276-E278 VanDerWaalsContact C-N 3.28Å; D276-E278 PolarHBondContact O-N 2.74Å; D276-S279 PolarHBondContact O-OG 2.91Å
277	G	40.5	Very low	40.9	Very low	49 Å²	49	99.5 Å²	99.5	51%	0.505	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.8	6.6	-178.5	0	0	0	0	0	116.1
278	E	42.2	Very low	42.7	Very low	149 Å²	149	100.6 Å²	100.6	70%	0.696	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-46.4	171	-76.6	175.8	169.4	0	0	110.1	D276 L280 A281 E282	D276-E278 VanDerWaalsContact C-N 3.28Å; D276-E278 PolarHBondContact O-N 2.74Å; E278-L280 VanDerWaalsContact C-N 3.26Å; E278-L280 PolarHBondContact O-N 2.94Å; E278-L280 VanDerWaalsContact O-N 3.16Å; E278-A281 PolarHBondContact O-N 2.71Å; E278-E282 WeakPolarHBondContact O-CG 3.36Å; E278-E282 PolarHBondContact O-N 2.74Å; E278-E282 VanDerWaalsContact O-N 3.16Å
279	S	42.6	Very low	44.6	Very low	44 Å²	44	96 Å²	96	31%	0.308	52%	0.522	S	S	.	.	H	α-helix	trans	-60	-33.7	-179.9	72.8	0	0	0	0	113.3	D276 E283	D276-S279 PolarHBondContact O-OG 2.91Å; S279-E283 VanDerWaalsContact O-CB 3.22Å; S279-E283 WeakPolarHBondContact O-CB 3.41Å; S279-E283 PolarHBondContact O-N 3.13Å
280	L	48.6	Very low	46.7	Very low	81 Å²	81	88.5 Å²	88.5	42%	0.424	49%	0.486	S	S	.	.	H	α-helix	trans	-71.8	-32	178.2	-78.5	168.6	0	0	0	113.8	E278 S284	E278-L280 VanDerWaalsContact C-N 3.26Å; E278-L280 PolarHBondContact O-N 2.94Å; E278-L280 VanDerWaalsContact O-N 3.16Å; L280-S284 VanDerWaalsContact O-CB 3.3Å; L280-S284 WeakPolarHBondContact O-CB 3.11Å; L280-S284 PolarHBondContact O-N 3.23Å
281	A	53	Low	48.7	Very low	45 Å²	45	86.8 Å²	86.8	37%	0.372	47%	0.472	S	S	.	.	H	α-helix	trans	-74	-41.9	177.1	0	0	0	0	0	110	E278 S284 E285	E278-A281 PolarHBondContact O-N 2.71Å; A281-S284 PolarHBondContact O-N 2.99Å; A281-E285 WeakPolarHBondContact O-CG 3.04Å; A281-E285 PolarHBondContact O-N 2.93Å
282	E	53.4	Low	50.9	Low	58 Å²	58	84 Å²	84	27%	0.271	45%	0.452	S	S	.	.	H	α-helix	trans	-67.1	-43.7	179.3	-66.4	165.7	-173.6	0	0	111.8	E278 S284 E285 F286	E278-E282 WeakPolarHBondContact O-CG 3.36Å; E278-E282 PolarHBondContact O-N 2.74Å; E278-E282 VanDerWaalsContact O-N 3.16Å; E282-S284 VanDerWaalsContact C-N 3.32Å; E282-S284 PolarHBondContact O-N 2.86Å; E282-E285 PolarHBondContact O-N 3.45Å; E282-F286 PolarHBondContact O-N 3.32Å
283	E	54.5	Low	53	Low	49 Å²	49	75.8 Å²	75.8	23%	0.229	42%	0.42	C	S	.	.	H	α-helix	trans	-61.8	-41.1	173.6	-169.5	168.8	-159	0	0	110.8	K99 S279 E285 F286 D287	K99-E283 WeakPolarHBondContact CE-OE1 3.24Å; K99-E283 IonicContact NZ-OE1 2.57Å; K99-E283 PolarHBondContact NZ-OE1 3.17Å; K99-E283 VanDerWaalsContact NZ-OE1 3.13Å; S279-E283 VanDerWaalsContact O-CB 3.22Å; S279-E283 WeakPolarHBondContact O-CB 3.41Å; S279-E283 PolarHBondContact O-N 3.13Å; E283-E285 VanDerWaalsContact C-N 3.32Å; E283-E285 PolarHBondContact O-N 3.31Å; E283-F286 PolarHBondContact O-N 3.09Å; E283-D287 WeakPolarHBondContact O-CB 3.46Å; E283-D287 VanDerWaalsContact O-CG 3.26Å; E283-D287 PolarHBondContact O-N 3.46Å
284	S	57.6	Low	55.1	Low	57 Å²	57	72.2 Å²	72.2	40%	0.399	39%	0.39	S	S	.	.	H	α-helix	trans	-66.8	-27.9	176.5	179	0	0	0	0	114.1	L280 A281 E282 R288	L280-S284 VanDerWaalsContact O-CB 3.3Å; L280-S284 WeakPolarHBondContact O-CB 3.11Å; L280-S284 PolarHBondContact O-N 3.23Å; A281-S284 PolarHBondContact O-N 2.99Å; E282-S284 VanDerWaalsContact C-N 3.32Å; E282-S284 PolarHBondContact O-N 2.86Å; S284-R288 WeakPolarHBondContact O-CB 3.25Å; S284-R288 PolarHBondContact O-N 3.49Å
285	E	58.9	Low	56.9	Low	118 Å²	118	72.2 Å²	72.2	55%	0.551	38%	0.381	S	S	*	.	H	α-helix	trans	-77.2	-43.2	175.3	-76	-177.6	172.7	0	0	111.2	A281 E282 E283 R288 H289	A281-E285 WeakPolarHBondContact O-CG 3.04Å; A281-E285 PolarHBondContact O-N 2.93Å; E282-E285 PolarHBondContact O-N 3.45Å; E283-E285 VanDerWaalsContact C-N 3.32Å; E283-E285 PolarHBondContact O-N 3.31Å; E285-R288 WeakPolarHBondContact O-CB 3.29Å; E285-R288 PolarHBondContact O-N 2.86Å; E285-H289 PolarHBondContact O-CD2 3.1Å; E285-H289 PolarHBondContact O-N 2.8Å
286	F	62	Low	59.1	Low	41 Å²	41	67 Å²	67	18%	0.18	35%	0.348	C	S	.	.	H	α-helix	trans	-58.9	-46.9	173.3	-178.2	-91.6	0	0	0	111.9	E282 E283 R288 H289 R290 V668	E282-F286 PolarHBondContact O-N 3.32Å; E283-F286 PolarHBondContact O-N 3.09Å; F286-R288 VanDerWaalsContact C-N 3.28Å; F286-R288 PolarHBondContact O-N 2.96Å; F286-H289 PolarHBondContact O-N 3.45Å; F286-R290 PolarHBondContact O-N 2.88Å; F286-V668 HydrophobicContact CD2-CG1 3.74Å; F286-V668 HydrophobicContact CE1-CG1 4.45Å; F286-V668 HydrophobicContact CE2-CB 4.39Å; F286-V668 HydrophobicContact CE2-CG1 3.23Å; F286-V668 HydrophobicContact CZ-CB 4.48Å; F286-V668 HydrophobicContact CZ-CG1 3.64Å
287	D	62.7	Low	61	Low	73 Å²	73	61.4 Å²	61.4	39%	0.39	32%	0.318	S	S	.	.	H	α-helix	trans	-61.7	-37.5	177.4	-72.4	-17.8	0	0	0	111.6	E283 R290 M291	E283-D287 WeakPolarHBondContact O-CB 3.46Å; E283-D287 VanDerWaalsContact O-CG 3.26Å; E283-D287 PolarHBondContact O-N 3.46Å; D287-R290 WeakPolarHBondContact O-CB 3.35Å; D287-R290 PolarHBondContact O-N 2.73Å; D287-M291 VanDerWaalsContact O-CG 3.28Å; D287-M291 WeakPolarHBondContact O-CG 3.18Å; D287-M291 PolarHBondContact O-N 3.4Å
288	R	64.8	Low	62.6	Low	146 Å²	146	62 Å²	62	55%	0.551	31%	0.307	S	S	*	.	H	α-helix	trans	-65.9	-46.7	176	-171.9	-168.1	-45.1	-110.6	-7.9	111.9	S284 E285 F286 R290 M291 D292	S284-R288 WeakPolarHBondContact O-CB 3.25Å; S284-R288 PolarHBondContact O-N 3.49Å; E285-R288 WeakPolarHBondContact O-CB 3.29Å; E285-R288 PolarHBondContact O-N 2.86Å; F286-R288 VanDerWaalsContact C-N 3.28Å; F286-R288 PolarHBondContact O-N 2.96Å; R288-R290 VanDerWaalsContact C-N 3.26Å; R288-R290 PolarHBondContact O-N 3.17Å; R288-M291 WeakPolarHBondContact O-CB 3.39Å; R288-M291 PolarHBondContact O-N 3.49Å; R288-M291 VanDerWaalsContact O-N 3.12Å; R288-D292 PolarHBondContact O-N 3.02Å
289	H	65.7	Low	64.2	Low	84 Å²	84	58.2 Å²	58.2	39%	0.389	29%	0.289	S	S	.	.	H	α-helix	trans	-58.6	-42.9	176.4	-79.9	-140.4	0	0	0	110.7	E285 F286 M291 D292 Y293	E285-H289 PolarHBondContact O-CD2 3.1Å; E285-H289 PolarHBondContact O-N 2.8Å; F286-H289 PolarHBondContact O-N 3.45Å; H289-M291 VanDerWaalsContact C-N 3.33Å; H289-M291 PolarHBondContact O-N 2.83Å; H289-D292 PolarHBondContact O-N 3.48Å; H289-Y293 WeakPolarHBondContact O-CD2 3.23Å; H289-Y293 PolarHBondContact O-N 2.93Å; H289-Y293 VanDerWaalsContact O-N 3.08Å
290	R	68.4	Low	65.8	Low	24 Å²	24	56.7 Å²	56.7	9%	0.091	28%	0.278	C	S	.	.	H	α-helix	trans	-56.9	-45.5	174.9	-168.8	-169.2	178.1	82.4	0.3	111.8	F286 D287 R288 Y293 V294 Y571 V664 D665 V668	F286-R290 PolarHBondContact O-N 2.88Å; D287-R290 WeakPolarHBondContact O-CB 3.35Å; D287-R290 PolarHBondContact O-N 2.73Å; R288-R290 VanDerWaalsContact C-N 3.26Å; R288-R290 PolarHBondContact O-N 3.17Å; R290-Y293 PolarHBondContact O-N 2.63Å; R290-V294 WeakPolarHBondContact O-CG2 3.27Å; R290-V294 PolarHBondContact O-N 3.35Å; R290-Y571 PolarHBondContact NE-OH 3.36Å; R290-Y571 PolarHBondContact NH2-OH 3.23Å; R290-Y571 VanDerWaalsContact NH2-OH 3.12Å; R290-V664 HydrophobicContact CG-CG1 3.75Å; R290-D665 IonicContact CZ-OD1 2.81Å; R290-D665 IonicContact CZ-OD2 3.54Å; R290-D665 IonicContact NH1-OD1 3.29Å; R290-D665 PolarHBondContact NH1-OD1 3.04Å; R290-D665 IonicContact NH1-OD2 3.52Å; R290-D665 PolarHBondContact NH1-OD2 3.4Å; R290-D665 IonicContact NH2-OD1 2.75Å; R290-D665 IonicContact NH2-OD2 3.33Å; R290-D665 PolarHBondContact NH2-OD2 2.99Å; R290-V668 HydrophobicContact CB-CG2 4.14Å; R290-V668 HydrophobicContact CG-CG2 4.3Å
291	M	67.3	Low	66.9	Low	74 Å²	74	56.1 Å²	56.1	37%	0.365	27%	0.27	S	S	.	.	H	α-helix	trans	-63.5	-39.4	177.2	-67	-65.3	134.1	0	0	112.6	D287 R288 H289 Y293 V294 E295 Y571	D287-M291 VanDerWaalsContact O-CG 3.28Å; D287-M291 WeakPolarHBondContact O-CG 3.18Å; D287-M291 PolarHBondContact O-N 3.4Å; R288-M291 WeakPolarHBondContact O-CB 3.39Å; R288-M291 PolarHBondContact O-N 3.49Å; R288-M291 VanDerWaalsContact O-N 3.12Å; H289-M291 VanDerWaalsContact C-N 3.33Å; H289-M291 PolarHBondContact O-N 2.83Å; M291-Y293 PolarHBondContact O-N 3.35Å; M291-V294 PolarHBondContact O-N 2.81Å; M291-E295 PolarHBondContact O-N 3.27Å; M291-Y571 HydrophobicContact CE-CD1 3.74Å; M291-Y571 HydrophobicContact CE-CE1 3.41Å; M291-Y571 VanDerWaalsContact CE-CE1 3.41Å; M291-Y571 HydrophobicContact SD-CD1 4.25Å; M291-Y571 HydrophobicContact SD-CE1 4.4Å
292	D	70.1	Confident	67.8	Low	70 Å²	70	62.8 Å²	62.8	37%	0.374	29%	0.291	S	S	.	.	H	α-helix	trans	-63.6	-40	177.7	-65.1	-21.3	0	0	0	111.5	R288 H289 A296	R288-D292 PolarHBondContact O-N 3.02Å; H289-D292 PolarHBondContact O-N 3.48Å; D292-A296 VanDerWaalsContact O-CB 3.3Å; D292-A296 WeakPolarHBondContact O-CB 3.44Å; D292-A296 PolarHBondContact O-N 3.06Å
293	Y	72.6	Confident	68.9	Low	12 Å²	12	67.9 Å²	67.9	5%	0.047	31%	0.307	C	S	.	.	H	α-helix	trans	-63.3	-43.6	172.3	-82.1	-78.1	0	0	0	111.9	H289 R290 M291 A296 I297 Q317 V320 L667 V668	H289-Y293 WeakPolarHBondContact O-CD2 3.23Å; H289-Y293 PolarHBondContact O-N 2.93Å; H289-Y293 VanDerWaalsContact O-N 3.08Å; R290-Y293 PolarHBondContact O-N 2.63Å; M291-Y293 PolarHBondContact O-N 3.35Å; Y293-A296 PolarHBondContact O-N 3.5Å; Y293-I297 WeakPolarHBondContact O-CG1 3.25Å; Y293-I297 PolarHBondContact O-N 2.96Å; Y293-Q317 HydrophobicContact CE1-CG 4.2Å; Y293-V320 HydrophobicContact CD1-CB 4.2Å; Y293-V320 HydrophobicContact CD1-CG2 3.59Å; Y293-V320 HydrophobicContact CD2-CG1 4.32Å; Y293-V320 HydrophobicContact CD2-CG2 4.33Å; Y293-V320 HydrophobicContact CE1-CB 3.88Å; Y293-V320 HydrophobicContact CE1-CG1 4.09Å; Y293-V320 HydrophobicContact CE1-CG2 3.81Å; Y293-V320 HydrophobicContact CE2-CB 4.5Å; Y293-V320 HydrophobicContact CE2-CG1 3.84Å; Y293-V320 HydrophobicContact CE2-CG2 4.5Å; Y293-V320 HydrophobicContact CG-CG2 3.86Å; Y293-L667 HydrophobicContact CD1-CB 3.87Å; Y293-L667 HydrophobicContact CD1-CD1 3.92Å; Y293-L667 HydrophobicContact CE1-CB 3.89Å; Y293-L667 HydrophobicContact CE1-CD1 4.35Å; Y293-L667 HydrophobicContact CG-CB 4.4Å; Y293-V668 HydrophobicContact CD2-CG2 3.75Å; Y293-V668 HydrophobicContact CE2-CG2 4.22Å; Y293-V668 HydrophobicContact CG-CG2 4.48Å
294	V	72	Confident	69.9	Low	4 Å²	4	69.3 Å²	69.3	2%	0.024	32%	0.316	C	S	.	.	H	α-helix	trans	-62	-46.4	178.3	171.4	0	0	0	0	110.9	R290 M291 I297 K298 Y571 F660 V664	R290-V294 WeakPolarHBondContact O-CG2 3.27Å; R290-V294 PolarHBondContact O-N 3.35Å; M291-V294 PolarHBondContact O-N 2.81Å; V294-I297 PolarHBondContact O-N 3.42Å; V294-K298 HydrophobicContact CG1-CD 4.25Å; V294-K298 VanDerWaalsContact O-CG 3.32Å; V294-K298 WeakPolarHBondContact O-CG 3.44Å; V294-K298 PolarHBondContact O-N 3.33Å; V294-Y571 HydrophobicContact CG1-CD2 3.75Å; V294-Y571 HydrophobicContact CG1-CE2 4.12Å; V294-Y571 HydrophobicContact CG1-CG 4.16Å; V294-Y571 HydrophobicContact CG2-CD2 4.13Å; V294-Y571 HydrophobicContact CG2-CE2 3.63Å; V294-F660 HydrophobicContact CG1-CE1 4.44Å; V294-F660 HydrophobicContact CG1-CZ 4.35Å; V294-F660 HydrophobicContact CG2-CE1 4.23Å; V294-V664 HydrophobicContact CG2-CG1 4.04Å; V294-V664 HydrophobicContact CG2-CG2 4.1Å
295	E	73.9	Confident	70.5	Confident	109 Å²	109	71.6 Å²	71.6	51%	0.509	33%	0.33	S	S	.	.	H	α-helix	trans	-62.5	-43.7	177	-174.4	172.7	-151.1	0	0	111.6	M291 I297 K298 E299	M291-E295 PolarHBondContact O-N 3.27Å; E295-I297 PolarHBondContact O-N 2.87Å; E295-K298 PolarHBondContact O-N 2.8Å; E295-E299 PolarHBondContact O-N 3.37Å
296	A	74.3	Confident	71	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-59.3	-47	175.9	0	0	0	0	0	112.1	D292 Y293 K298 E299 I300 E319 V320	D292-A296 VanDerWaalsContact O-CB 3.3Å; D292-A296 WeakPolarHBondContact O-CB 3.44Å; D292-A296 PolarHBondContact O-N 3.06Å; Y293-A296 PolarHBondContact O-N 3.5Å; A296-K298 VanDerWaalsContact C-N 3.32Å; A296-K298 PolarHBondContact O-N 3.5Å; A296-E299 PolarHBondContact O-N 2.96Å; A296-I300 VanDerWaalsContact O-CD1 3.31Å; A296-I300 WeakPolarHBondContact O-CD1 3.4Å; A296-I300 WeakPolarHBondContact O-CG1 3.46Å; A296-I300 PolarHBondContact O-N 2.61Å; A296-E319 HydrophobicContact CB-CB 4.07Å; A296-E319 HydrophobicContact CB-CG 4Å; A296-V320 HydrophobicContact CB-CG2 3.86Å
297	I	76.4	Confident	71.5	Confident	2 Å²	2	73.1 Å²	73.1	1%	0.01	34%	0.343	C	S	.	.	H	α-helix	trans	-63.5	-40.4	178.8	-60.7	162	0	0	0	110.8	Y293 V294 E295 I300 R301 L312 A316 F660 V664 L667	Y293-I297 WeakPolarHBondContact O-CG1 3.25Å; Y293-I297 PolarHBondContact O-N 2.96Å; V294-I297 PolarHBondContact O-N 3.42Å; E295-I297 PolarHBondContact O-N 2.87Å; I297-I300 PolarHBondContact O-N 3.36Å; I297-R301 WeakPolarHBondContact O-CB 3.36Å; I297-R301 PolarHBondContact O-N 3.27Å; I297-L312 HydrophobicContact CG2-CD1 3.79Å; I297-L312 HydrophobicContact CG2-CD2 3.62Å; I297-L312 HydrophobicContact CG2-CG 3.72Å; I297-A316 HydrophobicContact CD1-CB 4.39Å; I297-A316 HydrophobicContact CG1-CB 3.45Å; I297-A316 VanDerWaalsContact CG1-CB 3.45Å; I297-F660 HydrophobicContact CB-CE2 3.75Å; I297-F660 HydrophobicContact CB-CZ 4.06Å; I297-F660 HydrophobicContact CD1-CE2 3.92Å; I297-F660 HydrophobicContact CD1-CZ 3.98Å; I297-F660 HydrophobicContact CG1-CE2 4.43Å; I297-F660 HydrophobicContact CG2-CD2 4.03Å; I297-F660 HydrophobicContact CG2-CE2 3.26Å; I297-F660 HydrophobicContact CG2-CZ 4.08Å; I297-V664 HydrophobicContact CD1-CG2 3.55Å; I297-L667 HydrophobicContact CD1-CD1 4.24Å
298	K	72.8	Confident	71.9	Confident	62 Å²	62	71.4 Å²	71.4	27%	0.27	34%	0.344	S	S	.	.	H	α-helix	trans	-60.7	-46.1	175.8	-74.6	179.2	-175.4	-172.7	0	111.9	V294 E295 A296 I300 K302 N569	V294-K298 HydrophobicContact CG1-CD 4.25Å; V294-K298 VanDerWaalsContact O-CG 3.32Å; V294-K298 WeakPolarHBondContact O-CG 3.44Å; V294-K298 PolarHBondContact O-N 3.33Å; E295-K298 PolarHBondContact O-N 2.8Å; A296-K298 VanDerWaalsContact C-N 3.32Å; A296-K298 PolarHBondContact O-N 3.5Å; K298-I300 PolarHBondContact O-N 3.44Å; K298-K302 WeakPolarHBondContact O-CB 3.44Å; K298-K302 PolarHBondContact O-N 3.18Å; K298-N569 VanDerWaalsContact CE-O 3.22Å; K298-N569 WeakPolarHBondContact CE-O 3.1Å; K298-N569 PolarHBondContact NZ-O 3.29Å
299	E	76.6	Confident	72.1	Confident	69 Å²	69	66.9 Å²	66.9	32%	0.322	33%	0.329	S	S	.	.	H	α-helix	trans	-63	-40.8	176.7	-74.3	-172.3	156.3	0	0	112.3	E295 A296 K302 R303 K323	E295-E299 PolarHBondContact O-N 3.37Å; A296-E299 PolarHBondContact O-N 2.96Å; E299-K302 PolarHBondContact O-N 3.45Å; E299-R303 WeakPolarHBondContact O-CG 3.46Å; E299-R303 PolarHBondContact O-N 3.08Å; E299-R303 VanDerWaalsContact O-N 3.13Å; E299-K323 IonicContact OE2-NZ 3.31Å; E299-K323 PolarHBondContact OE2-NZ 3.49Å
300	I	75.4	Confident	72.1	Confident	13 Å²	13	69.8 Å²	69.8	7%	0.067	34%	0.341	C	S	.	.	H	α-helix	trans	-68.4	-44.6	-180	-65.9	158.6	0	0	0	111.2	A296 I297 K298 K302 R303 N304 I307 L312 L315 A316 E319	A296-I300 VanDerWaalsContact O-CD1 3.31Å; A296-I300 WeakPolarHBondContact O-CD1 3.4Å; A296-I300 WeakPolarHBondContact O-CG1 3.46Å; A296-I300 PolarHBondContact O-N 2.61Å; I297-I300 PolarHBondContact O-N 3.36Å; K298-I300 PolarHBondContact O-N 3.44Å; I300-K302 VanDerWaalsContact C-N 3.3Å; I300-K302 PolarHBondContact O-N 3.32Å; I300-R303 PolarHBondContact O-N 3.4Å; I300-N304 PolarHBondContact O-N 3.07Å; I300-I307 HydrophobicContact CG2-CD1 4.23Å; I300-L312 HydrophobicContact CB-CD1 3.82Å; I300-L312 HydrophobicContact CG2-CD1 3.43Å; I300-L312 VanDerWaalsContact CG2-CD1 3.43Å; I300-L315 HydrophobicContact CD1-CB 3.7Å; I300-L315 HydrophobicContact CG1-CB 4.34Å; I300-L315 HydrophobicContact CG2-CB 4.06Å; I300-L315 HydrophobicContact CG2-CD1 3.76Å; I300-A316 VanDerWaalsContact CD1-CA 3.45Å; I300-A316 HydrophobicContact CD1-CB 3.98Å; I300-A316 VanDerWaalsContact CD1-N 3.29Å; I300-E319 HydrophobicContact CD1-CB 4.25Å
301	R	72	Confident	72.3	Confident	68 Å²	68	74.4 Å²	74.4	26%	0.257	36%	0.363	S	S	.	.	H	α-helix	trans	-61.2	-39.3	174.4	-86.4	-168.8	170.4	173.4	-1.6	112	I297 R303 N304 P305 L312	I297-R301 WeakPolarHBondContact O-CB 3.36Å; I297-R301 PolarHBondContact O-N 3.27Å; R301-R303 VanDerWaalsContact C-N 3.27Å; R301-R303 PolarHBondContact O-N 3.09Å; R301-N304 CarbonylContact O-C 3.58Å; R301-N304 PolarHBondContact O-N 2.95Å; R301-P305 WeakPolarHBondContact O-CA 3.23Å; R301-L312 HydrophobicContact CG-CD1 4.1Å; R301-L312 HydrophobicContact CG-CD2 3.84Å
302	K	72.9	Confident	72.6	Confident	186 Å²	186	71 Å²	71	81%	0.809	35%	0.347	S	S	*	.	H	α-helix	trans	-61.6	-36.3	175.8	-174	176.7	-179.7	177.4	0	112.3	K298 E299 I300	K298-K302 WeakPolarHBondContact O-CB 3.44Å; K298-K302 PolarHBondContact O-N 3.18Å; E299-K302 PolarHBondContact O-N 3.45Å; I300-K302 VanDerWaalsContact C-N 3.3Å; I300-K302 PolarHBondContact O-N 3.32Å
303	R	75.5	Confident	72.6	Confident	164 Å²	164	68.5 Å²	68.5	62%	0.619	33%	0.333	S	S	*	.	H	α-helix	trans	-77.6	-37.6	175.7	-66.9	-179.2	-168.1	-167.8	9.3	112.3	E299 I300 R301	E299-R303 WeakPolarHBondContact O-CG 3.46Å; E299-R303 PolarHBondContact O-N 3.08Å; E299-R303 VanDerWaalsContact O-N 3.13Å; I300-R303 PolarHBondContact O-N 3.4Å; R301-R303 VanDerWaalsContact C-N 3.27Å; R301-R303 PolarHBondContact O-N 3.09Å
304	N	75.5	Confident	72.4	Confident	79 Å²	79	69.9 Å²	69.9	42%	0.422	34%	0.34	S	S	.	.			trans	-131.1	88.6	-175.2	-62.1	-69.6	0	0	0	110.7	I300 R301 N306 I307	I300-N304 PolarHBondContact O-N 3.07Å; R301-N304 CarbonylContact O-C 3.58Å; R301-N304 PolarHBondContact O-N 2.95Å; N304-N306 VanDerWaalsContact C-N 3.3Å; N304-N306 PolarHBondContact O-N 3.32Å; N304-I307 HydrophobicContact CB-CB 4.11Å; N304-I307 HydrophobicContact CB-CD1 4.49Å; N304-I307 HydrophobicContact CB-CG2 4.41Å; N304-I307 VanDerWaalsContact O-CG2 3.27Å; N304-I307 WeakPolarHBondContact O-CG2 3.34Å
305	P	71.7	Confident	72.4	Confident	106 Å²	106	72.7 Å²	72.7	69%	0.688	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-27	-175.6	22.9	-32.3	0	0	0	113.9	R301	R301-P305 WeakPolarHBondContact O-CA 3.23Å
306	N	68.1	Low	72.4	Confident	159 Å²	159	67.5 Å²	67.5	85%	0.85	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	22.2	-174	-62.3	-14.5	0	0	0	113.7	N304	N304-N306 VanDerWaalsContact C-N 3.3Å; N304-N306 PolarHBondContact O-N 3.32Å
307	I	73	Confident	72.1	Confident	31 Å²	31	68.8 Å²	68.8	16%	0.159	34%	0.336	C	S	.	.			trans	-76.8	136.5	-176.3	-167.3	165.7	0	0	0	111.9	I300 N304 E311 L312 L315	I300-I307 HydrophobicContact CG2-CD1 4.23Å; N304-I307 HydrophobicContact CB-CB 4.11Å; N304-I307 HydrophobicContact CB-CD1 4.49Å; N304-I307 HydrophobicContact CB-CG2 4.41Å; N304-I307 VanDerWaalsContact O-CG2 3.27Å; N304-I307 WeakPolarHBondContact O-CG2 3.34Å; I307-E311 HydrophobicContact CD1-CB 4.05Å; I307-E311 HydrophobicContact CG1-CB 3.77Å; I307-L312 HydrophobicContact CG1-CB 4.48Å; I307-L312 HydrophobicContact CG2-CB 4.05Å; I307-L312 HydrophobicContact CG2-CD1 3.89Å; I307-L312 HydrophobicContact CG2-CD2 4.37Å; I307-L312 HydrophobicContact CG2-CG 4.33Å; I307-L315 HydrophobicContact CD1-CD1 3.32Å; I307-L315 HydrophobicContact CD1-CG 4.31Å
308	G	71.4	Confident	71.6	Confident	38 Å²	38	69.6 Å²	69.6	39%	0.392	34%	0.34	S	S	.	.			trans	-68.1	149	176.5	0	0	0	0	0	112.1	K310 E311 L312	G308-K310 VanDerWaalsContact C-N 3.32Å; G308-K310 PolarHBondContact O-N 2.91Å; G308-E311 PolarHBondContact O-N 3.26Å; G308-E311 VanDerWaalsContact O-N 3.12Å; G308-L312 WeakPolarHBondContact O-CB 3.38Å; G308-L312 PolarHBondContact O-N 3.36Å
309	M	68.1	Low	71.5	Confident	51 Å²	51	69 Å²	69	25%	0.251	34%	0.338	S	S	.	.	H	α-helix	trans	-56	-41.2	-175	-168.9	67.1	111.7	0	0	113.5	L312 E313 E659	M309-L312 WeakPolarHBondContact O-CB 3.34Å; M309-L312 PolarHBondContact O-N 2.86Å; M309-L312 HydrophobicContact SD-CD2 4.36Å; M309-E313 VanDerWaalsContact O-CG 3.28Å; M309-E313 WeakPolarHBondContact O-CG 3.08Å; M309-E313 PolarHBondContact O-N 3.09Å; M309-E659 HydrophobicContact CE-CB 3.53Å
310	K	66.5	Low	71.1	Confident	145 Å²	145	66.6 Å²	66.6	63%	0.63	33%	0.328	S	S	*	.	H	α-helix	trans	-65.4	-42.6	177.7	-70.9	-175.8	177.5	-179.6	0	112.7	G308 L312 E313 E314 F357	G308-K310 VanDerWaalsContact C-N 3.32Å; G308-K310 PolarHBondContact O-N 2.91Å; K310-L312 VanDerWaalsContact C-N 3.34Å; K310-E313 WeakPolarHBondContact O-CB 3.39Å; K310-E313 PolarHBondContact O-N 3.1Å; K310-E314 PolarHBondContact O-N 2.97Å; K310-F357 HydrophobicContact CD-CE1 4.41Å
311	E	71.4	Confident	70.6	Confident	121 Å²	121	66.6 Å²	66.6	57%	0.565	33%	0.328	S	S	*	.	H	α-helix	trans	-67.4	-37.9	177	-66.3	179	176.3	0	0	111.3	I307 G308 E314 L315	I307-E311 HydrophobicContact CD1-CB 4.05Å; I307-E311 HydrophobicContact CG1-CB 3.77Å; G308-E311 PolarHBondContact O-N 3.26Å; G308-E311 VanDerWaalsContact O-N 3.12Å; E311-E314 PolarHBondContact O-N 3.03Å; E311-L315 WeakPolarHBondContact O-CG 3.46Å; E311-L315 PolarHBondContact O-N 3.39Å
312	L	74.4	Confident	70.4	Confident	3 Å²	3	65.4 Å²	65.4	2%	0.016	33%	0.327	C	S	.	.	H	α-helix	trans	-60.8	-44.3	175.4	-177	56	0	0	0	111.8	I297 I300 R301 I307 G308 M309 K310 L315 A316	I297-L312 HydrophobicContact CG2-CD1 3.79Å; I297-L312 HydrophobicContact CG2-CD2 3.62Å; I297-L312 HydrophobicContact CG2-CG 3.72Å; I300-L312 HydrophobicContact CB-CD1 3.82Å; I300-L312 HydrophobicContact CG2-CD1 3.43Å; I300-L312 VanDerWaalsContact CG2-CD1 3.43Å; R301-L312 HydrophobicContact CG-CD1 4.1Å; R301-L312 HydrophobicContact CG-CD2 3.84Å; I307-L312 HydrophobicContact CG1-CB 4.48Å; I307-L312 HydrophobicContact CG2-CB 4.05Å; I307-L312 HydrophobicContact CG2-CD1 3.89Å; I307-L312 HydrophobicContact CG2-CD2 4.37Å; I307-L312 HydrophobicContact CG2-CG 4.33Å; G308-L312 WeakPolarHBondContact O-CB 3.38Å; G308-L312 PolarHBondContact O-N 3.36Å; M309-L312 WeakPolarHBondContact O-CB 3.34Å; M309-L312 PolarHBondContact O-N 2.86Å; M309-L312 HydrophobicContact SD-CD2 4.36Å; K310-L312 VanDerWaalsContact C-N 3.34Å; L312-L315 PolarHBondContact O-N 3.35Å; L312-A316 VanDerWaalsContact O-CB 3.25Å; L312-A316 WeakPolarHBondContact O-CB 3.32Å; L312-A316 PolarHBondContact O-N 3.46Å
313	E	70	Confident	70	Confident	17 Å²	17	61.8 Å²	61.8	8%	0.079	31%	0.311	C	S	.	.	H	α-helix	trans	-60	-45.4	176	-78.8	178.4	-167.7	0	0	112.9	M309 K310 A316 Q317 T663 R666 L667	M309-E313 VanDerWaalsContact O-CG 3.28Å; M309-E313 WeakPolarHBondContact O-CG 3.08Å; M309-E313 PolarHBondContact O-N 3.09Å; K310-E313 WeakPolarHBondContact O-CB 3.39Å; K310-E313 PolarHBondContact O-N 3.1Å; E313-A316 PolarHBondContact O-N 3.1Å; E313-Q317 WeakPolarHBondContact O-CG 3.11Å; E313-Q317 PolarHBondContact O-N 3.38Å; E313-T663 VanDerWaalsContact CD-CG2 3.5Å; E313-T663 HydrophobicContact CG-CG2 3.22Å; E313-T663 WeakPolarHBondContact OE1-CB 3.42Å; E313-T663 WeakPolarHBondContact OE1-CG2 3.33Å; E313-T663 PolarHBondContact OE1-OG1 3.34Å; E313-R666 IonicContact OE1-CZ 2.71Å; E313-R666 IonicContact OE1-NH2 3.78Å; E313-R666 PolarHBondContact OE1-NH2 3.31Å; E313-R666 IonicContact OE2-CZ 3.73Å; E313-R666 IonicContact OE2-NE 3.67Å; E313-R666 IonicContact OE2-NH2 3.83Å; E313-R666 PolarHBondContact OE2-NH2 3.29Å; E313-L667 HydrophobicContact CB-CD1 4.49Å; E313-L667 HydrophobicContact CB-CD2 4.14Å; E313-L667 HydrophobicContact CG-CD1 4.29Å; E313-L667 HydrophobicContact CG-CD2 4.31Å; E313-L667 HydrophobicContact CG-CG 4.48Å
314	E	68	Low	69.4	Low	41 Å²	41	55.1 Å²	55.1	19%	0.192	29%	0.293	C	S	.	.	H	α-helix	trans	-64.6	-46.8	177.3	-76.5	172.9	-130.6	0	0	112.1	K310 E311 A316 Q317 M318 F357	K310-E314 PolarHBondContact O-N 2.97Å; E311-E314 PolarHBondContact O-N 3.03Å; E314-A316 VanDerWaalsContact C-N 3.26Å; E314-A316 PolarHBondContact O-N 3.03Å; E314-Q317 PolarHBondContact O-N 2.96Å; E314-M318 WeakPolarHBondContact O-CB 3.32Å; E314-M318 VanDerWaalsContact O-CG 3.24Å; E314-M318 WeakPolarHBondContact O-CG 3.38Å; E314-M318 PolarHBondContact O-N 2.82Å; E314-F357 VanDerWaalsContact CD-CE2 3.49Å; E314-F357 HydrophobicContact CG-CE2 4.48Å; E314-F357 WeakPolarHBondContact OE1-CE2 3.28Å; E314-F357 WeakPolarHBondContact OE1-CZ 3.29Å
315	L	71.4	Confident	68.8	Low	62 Å²	62	56.9 Å²	56.9	33%	0.325	31%	0.309	S	S	.	.	H	α-helix	trans	-60.7	-39.7	176.3	-71.6	-175.9	0	0	0	110.8	I300 I307 E311 L312 M318 E319	I300-L315 HydrophobicContact CD1-CB 3.7Å; I300-L315 HydrophobicContact CG1-CB 4.34Å; I300-L315 HydrophobicContact CG2-CB 4.06Å; I300-L315 HydrophobicContact CG2-CD1 3.76Å; I307-L315 HydrophobicContact CD1-CD1 3.32Å; I307-L315 HydrophobicContact CD1-CG 4.31Å; E311-L315 WeakPolarHBondContact O-CG 3.46Å; E311-L315 PolarHBondContact O-N 3.39Å; L312-L315 PolarHBondContact O-N 3.35Å; L315-M318 PolarHBondContact O-N 2.68Å; L315-E319 VanDerWaalsContact O-CB 3.31Å; L315-E319 WeakPolarHBondContact O-CB 3.37Å; L315-E319 PolarHBondContact O-N 2.84Å
316	A	74.5	Confident	68.8	Low	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-66.2	-44.7	177.6	0	0	0	0	0	112	I297 I300 L312 E313 E314 M318 E319 V320 L667	I297-A316 HydrophobicContact CD1-CB 4.39Å; I297-A316 HydrophobicContact CG1-CB 3.45Å; I297-A316 VanDerWaalsContact CG1-CB 3.45Å; I300-A316 VanDerWaalsContact CD1-CA 3.45Å; I300-A316 HydrophobicContact CD1-CB 3.98Å; I300-A316 VanDerWaalsContact CD1-N 3.29Å; L312-A316 VanDerWaalsContact O-CB 3.25Å; L312-A316 WeakPolarHBondContact O-CB 3.32Å; L312-A316 PolarHBondContact O-N 3.46Å; E313-A316 PolarHBondContact O-N 3.1Å; E314-A316 VanDerWaalsContact C-N 3.26Å; E314-A316 PolarHBondContact O-N 3.03Å; A316-M318 VanDerWaalsContact C-N 3.29Å; A316-M318 PolarHBondContact O-N 2.74Å; A316-E319 PolarHBondContact O-N 3.45Å; A316-V320 WeakPolarHBondContact O-CB 3.41Å; A316-V320 WeakPolarHBondContact O-CG2 3.17Å; A316-V320 PolarHBondContact O-N 2.8Å; A316-L667 HydrophobicContact CB-CD1 4.2Å
317	Q	68.6	Low	68.9	Low	27 Å²	27	48 Å²	48	13%	0.126	26%	0.255	C	S	.	.	H	α-helix	trans	-58.5	-42.7	172.7	-74.5	-178.6	-11.8	0	0	111.9	Y293 E313 E314 L321 L667	Y293-Q317 HydrophobicContact CE1-CG 4.2Å; E313-Q317 WeakPolarHBondContact O-CG 3.11Å; E313-Q317 PolarHBondContact O-N 3.38Å; E314-Q317 PolarHBondContact O-N 2.96Å; Q317-L321 WeakPolarHBondContact O-CB 3.04Å; Q317-L321 PolarHBondContact O-N 3.41Å; Q317-L667 HydrophobicContact CG-CD2 3.41Å; Q317-L667 VanDerWaalsContact CG-CD2 3.41Å; Q317-L667 HydrophobicContact CG-CG 4.46Å
318	M	65.8	Low	68.9	Low	19 Å²	19	47.5 Å²	47.5	9%	0.094	25%	0.251	C	S	.	.	H	α-helix	trans	-67.1	-40.1	178.3	-72.9	-60.6	-50.9	0	0	112.3	E314 L315 A316 L321 N322 I346 K350 R353	E314-M318 WeakPolarHBondContact O-CB 3.32Å; E314-M318 VanDerWaalsContact O-CG 3.24Å; E314-M318 WeakPolarHBondContact O-CG 3.38Å; E314-M318 PolarHBondContact O-N 2.82Å; L315-M318 PolarHBondContact O-N 2.68Å; A316-M318 VanDerWaalsContact C-N 3.29Å; A316-M318 PolarHBondContact O-N 2.74Å; M318-L321 HydrophobicContact CE-CD2 4.16Å; M318-L321 WeakPolarHBondContact O-CB 3.16Å; M318-L321 PolarHBondContact O-N 2.72Å; M318-L321 HydrophobicContact SD-CD2 4.31Å; M318-N322 WeakPolarHBondContact O-CB 3.42Å; M318-N322 VanDerWaalsContact O-CG 3.3Å; M318-N322 PolarHBondContact O-N 3.45Å; M318-I346 HydrophobicContact CE-CG2 3.65Å; M318-K350 HydrophobicContact CE-CB 4.34Å; M318-R353 PolarHBondContact SD-NH2 3.39Å
319	E	70.3	Confident	68.8	Low	51 Å²	51	45.7 Å²	45.7	24%	0.238	23%	0.233	C	C	.	.	H	α-helix	trans	-65.6	-45.8	178	-168.2	68.3	-169.8	0	0	110.7	A296 I300 L315 A316 N322 K323	A296-E319 HydrophobicContact CB-CB 4.07Å; A296-E319 HydrophobicContact CB-CG 4Å; I300-E319 HydrophobicContact CD1-CB 4.25Å; L315-E319 VanDerWaalsContact O-CB 3.31Å; L315-E319 WeakPolarHBondContact O-CB 3.37Å; L315-E319 PolarHBondContact O-N 2.84Å; A316-E319 PolarHBondContact O-N 3.45Å; E319-N322 PolarHBondContact O-N 3.14Å; E319-K323 HydrophobicContact CG-CD 4.21Å; E319-K323 WeakPolarHBondContact O-CB 3.35Å; E319-K323 WeakPolarHBondContact O-CG 3.46Å; E319-K323 PolarHBondContact O-N 3.43Å; E319-K323 WeakPolarHBondContact OE1-CE 3.42Å; E319-K323 IonicContact OE1-NZ 3.13Å
320	V	68.5	Low	69.4	Low	18 Å²	18	43.4 Å²	43.4	11%	0.109	22%	0.221	C	C	.	.	H	α-helix	trans	-65	-39.8	175.5	174.6	0	0	0	0	111.3	Y293 A296 A316 N322 K323 G324	Y293-V320 HydrophobicContact CD1-CB 4.2Å; Y293-V320 HydrophobicContact CD1-CG2 3.59Å; Y293-V320 HydrophobicContact CD2-CG1 4.32Å; Y293-V320 HydrophobicContact CD2-CG2 4.33Å; Y293-V320 HydrophobicContact CE1-CB 3.88Å; Y293-V320 HydrophobicContact CE1-CG1 4.09Å; Y293-V320 HydrophobicContact CE1-CG2 3.81Å; Y293-V320 HydrophobicContact CE2-CB 4.5Å; Y293-V320 HydrophobicContact CE2-CG1 3.84Å; Y293-V320 HydrophobicContact CE2-CG2 4.5Å; Y293-V320 HydrophobicContact CG-CG2 3.86Å; A296-V320 HydrophobicContact CB-CG2 3.86Å; A316-V320 WeakPolarHBondContact O-CB 3.41Å; A316-V320 WeakPolarHBondContact O-CG2 3.17Å; A316-V320 PolarHBondContact O-N 2.8Å; V320-N322 VanDerWaalsContact C-N 3.31Å; V320-N322 PolarHBondContact O-N 3.5Å; V320-K323 PolarHBondContact O-N 2.96Å; V320-G324 WeakPolarHBondContact O-CA 3.19Å; V320-G324 PolarHBondContact O-N 3.47Å
321	L	65.6	Low	70	Confident	13 Å²	13	36.7 Å²	36.7	7%	0.068	19%	0.192	C	C	.	.	H	α-helix	trans	-60	-41	173.5	-174.5	93.4	0	0	0	111.9	Q317 M318 I346 L673 V676	Q317-L321 WeakPolarHBondContact O-CB 3.04Å; Q317-L321 PolarHBondContact O-N 3.41Å; M318-L321 HydrophobicContact CE-CD2 4.16Å; M318-L321 WeakPolarHBondContact O-CB 3.16Å; M318-L321 PolarHBondContact O-N 2.72Å; M318-L321 HydrophobicContact SD-CD2 4.31Å; L321-I346 HydrophobicContact CD2-CG2 4.37Å; L321-L673 HydrophobicContact CD1-CB 3.85Å; L321-L673 HydrophobicContact CD1-CD1 3.64Å; L321-L673 HydrophobicContact CD1-CG 3.8Å; L321-L673 HydrophobicContact CG-CD1 3.84Å; L321-L673 HydrophobicContact CG-CG 4.41Å; L321-V676 HydrophobicContact CD1-CG2 4.12Å; L321-V676 HydrophobicContact CD2-CG1 4.39Å; L321-V676 HydrophobicContact CD2-CG2 3.96Å
322	N	66.6	Low	70.1	Confident	42 Å²	42	31 Å²	31	23%	0.225	17%	0.165	C	C	.	.	H	α-helix	trans	-72.1	-40.3	179.5	-80.4	-17.1	0	0	0	112.9	M318 E319 V320 I346	M318-N322 WeakPolarHBondContact O-CB 3.42Å; M318-N322 VanDerWaalsContact O-CG 3.3Å; M318-N322 PolarHBondContact O-N 3.45Å; E319-N322 PolarHBondContact O-N 3.14Å; V320-N322 VanDerWaalsContact C-N 3.31Å; V320-N322 PolarHBondContact O-N 3.5Å; N322-I346 WeakPolarHBondContact OD1-CD1 3.46Å; N322-I346 VanDerWaalsContact OD1-CG2 3.32Å; N322-I346 WeakPolarHBondContact OD1-CG2 3.28Å
323	K	65.6	Low	70.3	Confident	111 Å²	111	31 Å²	31	48%	0.483	17%	0.165	S	C	.	.	H	α-helix	trans	-75.8	-25.8	177.9	-72.4	-179.6	178.4	175.6	0	112.7	E299 E319 V320	E299-K323 IonicContact OE2-NZ 3.31Å; E299-K323 PolarHBondContact OE2-NZ 3.49Å; E319-K323 HydrophobicContact CG-CD 4.21Å; E319-K323 WeakPolarHBondContact O-CB 3.35Å; E319-K323 WeakPolarHBondContact O-CG 3.46Å; E319-K323 PolarHBondContact O-N 3.43Å; E319-K323 WeakPolarHBondContact OE1-CE 3.42Å; E319-K323 IonicContact OE1-NZ 3.13Å; V320-K323 PolarHBondContact O-N 2.96Å
324	G	62.6	Low	70.7	Confident	24 Å²	24	30.7 Å²	30.7	25%	0.247	16%	0.164	C	C	.	.	S	Bend	trans	-64.7	158.8	-177.3	0	0	0	0	0	114	V320 K326	V320-G324 WeakPolarHBondContact O-CA 3.19Å; V320-G324 PolarHBondContact O-N 3.47Å; G324-K326 PolarHBondContact O-N 2.72Å
325	P	61.8	Low	71	Confident	116 Å²	116	28.8 Å²	28.8	75%	0.753	16%	0.155	S	C	*	.	P	Polyproline II helix	trans	-64.6	126.2	176.3	27.5	-33.4	0	0	0	110.5
326	K	72.5	Confident	71.2	Confident	54 Å²	54	26 Å²	26	24%	0.235	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-89.1	137.5	179	-69.9	160.5	-179.7	168.6	0	110	G324 Y330 Y331	G324-K326 PolarHBondContact O-N 2.72Å; K326-Y330 HydrophobicContact CB-CD1 3.81Å; K326-Y330 HydrophobicContact CB-CE1 4.39Å; K326-Y330 HydrophobicContact CB-CG 4.34Å; K326-Y330 HydrophobicContact CD-CD1 3.98Å; K326-Y330 HydrophobicContact CD-CE1 3.68Å; K326-Y330 HydrophobicContact CG-CD1 3.97Å; K326-Y330 HydrophobicContact CG-CE1 4.1Å; K326-Y331 HydrophobicContact CB-CD2 4.44Å; K326-Y331 HydrophobicContact CB-CE1 4.18Å; K326-Y331 HydrophobicContact CB-CE2 3.66Å; K326-Y331 HydrophobicContact CD-CE1 3.83Å; K326-Y331 WeakPolarHBondContact CD-OH 3.31Å
327	S	71.1	Confident	71.4	Confident	24 Å²	24	26.5 Å²	26.5	17%	0.168	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-66.6	155.1	176	172.5	0	0	0	0	112.1	E86 A329 Y330 Y331	E86-S327 VanDerWaalsContact CD-CB 3.47Å; E86-S327 VanDerWaalsContact CD-OG 3.28Å; E86-S327 WeakPolarHBondContact OE1-CB 3.46Å; E86-S327 PolarHBondContact OE1-OG 2.84Å; E86-S327 VanDerWaalsContact OE2-CB 3.26Å; E86-S327 WeakPolarHBondContact OE2-CB 3.33Å; E86-S327 PolarHBondContact OE2-OG 2.89Å; S327-A329 PolarHBondContact O-N 3.41Å; S327-A329 PolarHBondContact OG-N 3.32Å; S327-Y330 WeakPolarHBondContact O-CB 3.31Å; S327-Y330 PolarHBondContact O-N 2.95Å; S327-Y331 WeakPolarHBondContact O-CD2 3.42Å; S327-Y331 PolarHBondContact O-N 3.26Å
328	R	72	Confident	71.7	Confident	21 Å²	21	29 Å²	29	8%	0.079	15%	0.154	C	C	.	.	H	α-helix	trans	-57.2	-36.7	169.5	-79.3	176.1	55.7	-154.1	-9	112.4	N118 Y330 Y331 R332 N805	N118-R328 PolarHBondContact O-NH1 3.49Å; N118-R328 WeakPolarHBondContact OD1-CD 3.48Å; R328-Y330 VanDerWaalsContact C-N 3.33Å; R328-Y331 PolarHBondContact O-N 3.49Å; R328-R332 PolarHBondContact O-N 2.57Å; R328-N805 PolarHBondContact NE-OD1 2.81Å; R328-N805 VanDerWaalsContact NH2-CA 3.35Å; R328-N805 PolarHBondContact NH2-OD1 3.48Å
329	A	69.8	Low	71.8	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63	-44.3	177.4	0	0	0	0	0	110.7	M82 E86 M122 S327 Y331 R332 M333	M82-A329 HydrophobicContact CB-CB 4.47Å; E86-A329 HydrophobicContact CB-CB 3.77Å; E86-A329 HydrophobicContact CG-CB 4.19Å; E86-A329 WeakPolarHBondContact OE2-CB 3.35Å; M122-A329 HydrophobicContact CE-CB 3.79Å; M122-A329 HydrophobicContact SD-CB 3.71Å; S327-A329 PolarHBondContact O-N 3.41Å; S327-A329 PolarHBondContact OG-N 3.32Å; A329-Y331 VanDerWaalsContact C-N 3.3Å; A329-Y331 PolarHBondContact O-N 3.09Å; A329-R332 WeakPolarHBondContact O-CB 3.48Å; A329-R332 PolarHBondContact O-N 2.81Å; A329-M333 HydrophobicContact CB-CE 3.61Å; A329-M333 VanDerWaalsContact O-CE 3.28Å; A329-M333 WeakPolarHBondContact O-CE 3.34Å; A329-M333 WeakPolarHBondContact O-CG 3.31Å; A329-M333 PolarHBondContact O-N 2.86Å
330	Y	80.5	Confident	72.1	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.008	15%	0.152	C	C	.	.	H	α-helix	trans	-52.5	-48.5	179	169.5	-86.1	0	0	0	111.5	K326 S327 R328 R332 M333 Q334 N344 V345 I346 L673	K326-Y330 HydrophobicContact CB-CD1 3.81Å; K326-Y330 HydrophobicContact CB-CE1 4.39Å; K326-Y330 HydrophobicContact CB-CG 4.34Å; K326-Y330 HydrophobicContact CD-CD1 3.98Å; K326-Y330 HydrophobicContact CD-CE1 3.68Å; K326-Y330 HydrophobicContact CG-CD1 3.97Å; K326-Y330 HydrophobicContact CG-CE1 4.1Å; S327-Y330 WeakPolarHBondContact O-CB 3.31Å; S327-Y330 PolarHBondContact O-N 2.95Å; R328-Y330 VanDerWaalsContact C-N 3.33Å; Y330-R332 VanDerWaalsContact C-N 3.32Å; Y330-R332 PolarHBondContact O-N 3.31Å; Y330-M333 PolarHBondContact O-N 2.86Å; Y330-Q334 HydrophobicContact CE1-CB 4.48Å; Y330-Q334 WeakPolarHBondContact O-CB 3.32Å; Y330-Q334 PolarHBondContact O-N 3.26Å; Y330-Q334 PolarHBondContact OH-OE1 2.97Å; Y330-N344 PolarHBondContact OH-OD1 2.82Å; Y330-V345 HydrophobicContact CD2-CB 4.49Å; Y330-V345 HydrophobicContact CE2-CB 3.93Å; Y330-V345 HydrophobicContact CE2-CG1 4.43Å; Y330-V345 HydrophobicContact CE2-CG2 4.27Å; Y330-I346 HydrophobicContact CE2-CD1 4.05Å; Y330-I346 HydrophobicContact CE2-CG1 3.83Å; Y330-I346 VanDerWaalsContact OH-CD1 3.26Å; Y330-I346 WeakPolarHBondContact OH-CD1 3.43Å; Y330-I346 WeakPolarHBondContact OH-CG1 3.4Å; Y330-L673 HydrophobicContact CD2-CD2 4.01Å; Y330-L673 HydrophobicContact CG-CD2 4.43Å
331	Y	78.7	Confident	72	Confident	5 Å²	5	27.4 Å²	27.4	2%	0.02	15%	0.147	C	C	.	.	H	α-helix	trans	-65.4	-35.9	179.7	-69.3	-55.4	0	0	0	113.2	K326 S327 R328 A329 A335 V791 A792 D796	K326-Y331 HydrophobicContact CB-CD2 4.44Å; K326-Y331 HydrophobicContact CB-CE1 4.18Å; K326-Y331 HydrophobicContact CB-CE2 3.66Å; K326-Y331 HydrophobicContact CD-CE1 3.83Å; K326-Y331 WeakPolarHBondContact CD-OH 3.31Å; S327-Y331 WeakPolarHBondContact O-CD2 3.42Å; S327-Y331 PolarHBondContact O-N 3.26Å; R328-Y331 PolarHBondContact O-N 3.49Å; A329-Y331 VanDerWaalsContact C-N 3.3Å; A329-Y331 PolarHBondContact O-N 3.09Å; Y331-A335 WeakPolarHBondContact O-CB 3.48Å; Y331-A335 PolarHBondContact O-N 3.38Å; Y331-V791 HydrophobicContact CD1-CG1 3.74Å; Y331-V791 HydrophobicContact CE1-CG1 4.46Å; Y331-A792 HydrophobicContact CD2-CB 3.86Å; Y331-A792 HydrophobicContact CE2-CB 4.38Å; Y331-A792 HydrophobicContact CG-CB 4Å; Y331-D796 WeakPolarHBondContact CE2-OD1 3.36Å; Y331-D796 VanDerWaalsContact CE2-OD2 3.25Å; Y331-D796 WeakPolarHBondContact CE2-OD2 3.45Å; Y331-D796 VanDerWaalsContact CZ-OD1 3.31Å; Y331-D796 VanDerWaalsContact OH-CG 3.26Å; Y331-D796 PolarHBondContact OH-OD1 2.97Å
332	R	74.7	Confident	72.1	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.008	15%	0.15	C	C	.	.	H	α-helix	trans	-66.3	-41.7	174.9	-172.8	155	-176.1	-129.9	12.4	112	M82 G125 S126 R328 A329 Y330 A335 T336 D785 A788	M82-R332 HydrophobicContact CE-CB 4.35Å; M82-R332 HydrophobicContact CE-CG 4.44Å; M82-R332 HydrophobicContact CG-CB 4.45Å; M82-R332 HydrophobicContact CG-CG 4.06Å; M82-R332 PolarHBondContact SD-NH1 3.32Å; G125-R332 PolarHBondContact O-NH1 3.34Å; G125-R332 PolarHBondContact O-NH2 3.21Å; S126-R332 VanDerWaalsContact CA-CZ 3.47Å; S126-R332 VanDerWaalsContact CA-NH1 3.28Å; S126-R332 PolarHBondContact O-NH2 3.33Å; S126-R332 VanDerWaalsContact O-NH2 3.08Å; R328-R332 PolarHBondContact O-N 2.57Å; A329-R332 WeakPolarHBondContact O-CB 3.48Å; A329-R332 PolarHBondContact O-N 2.81Å; Y330-R332 VanDerWaalsContact C-N 3.32Å; Y330-R332 PolarHBondContact O-N 3.31Å; R332-A335 WeakPolarHBondContact O-CB 3.13Å; R332-A335 PolarHBondContact O-N 2.97Å; R332-T336 PolarHBondContact O-N 3.21Å; R332-T336 VanDerWaalsContact O-N 3.08Å; R332-T336 PolarHBondContact O-OG1 3.21Å; R332-D785 IonicContact CZ-OD1 2.81Å; R332-D785 IonicContact NE-OD1 2.74Å; R332-D785 IonicContact NH2-OD1 3.91Å; R332-A788 HydrophobicContact CB-CB 3.66Å; R332-A788 HydrophobicContact CG-CB 3.85Å
333	M	77.7	Confident	72.1	Confident	2 Å²	2	25.8 Å²	25.8	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-67.1	-45.8	178.1	-66.9	-179.5	-92.5	0	0	111.7	D79 M82 A83 E86 A329 Y330 A335 T336 R337 V677	D79-M333 WeakPolarHBondContact OD1-CA 3.42Å; D79-M333 WeakPolarHBondContact OD1-CB 3.1Å; D79-M333 WeakPolarHBondContact OD1-CG 3.35Å; M82-M333 HydrophobicContact CB-CG 4.1Å; A83-M333 WeakPolarHBondContact CA-SD 3.35Å; A83-M333 HydrophobicContact CB-SD 3.52Å; A83-M333 VanDerWaalsContact CB-SD 3.52Å; E86-M333 HydrophobicContact CB-CE 4.04Å; E86-M333 HydrophobicContact CG-CE 4.29Å; A329-M333 HydrophobicContact CB-CE 3.61Å; A329-M333 VanDerWaalsContact O-CE 3.28Å; A329-M333 WeakPolarHBondContact O-CE 3.34Å; A329-M333 WeakPolarHBondContact O-CG 3.31Å; A329-M333 PolarHBondContact O-N 2.86Å; Y330-M333 PolarHBondContact O-N 2.86Å; M333-A335 VanDerWaalsContact C-N 3.28Å; M333-A335 PolarHBondContact O-N 3.14Å; M333-T336 PolarHBondContact O-N 3.47Å; M333-R337 WeakPolarHBondContact O-CB 3.37Å; M333-R337 VanDerWaalsContact O-CG 3.31Å; M333-R337 WeakPolarHBondContact O-CG 3.36Å; M333-R337 PolarHBondContact O-N 2.77Å; M333-V677 HydrophobicContact CE-CG1 3.27Å; M333-V677 HydrophobicContact CE-CG2 4.48Å; M333-V677 HydrophobicContact SD-CG1 3.32Å; M333-V677 WeakPolarHBondContact SD-CG1 3.38Å
334	Q	78.3	Confident	72.3	Confident	11 Å²	11	21.2 Å²	21.2	5%	0.051	12%	0.121	C	C	.	.	H	α-helix	trans	-58.7	-42	175.9	-169.6	-178.2	7.1	0	0	111.4	Y330 R337 Q338 N344	Y330-Q334 HydrophobicContact CE1-CB 4.48Å; Y330-Q334 WeakPolarHBondContact O-CB 3.32Å; Y330-Q334 PolarHBondContact O-N 3.26Å; Y330-Q334 PolarHBondContact OH-OE1 2.97Å; Q334-R337 PolarHBondContact O-N 3.48Å; Q334-Q338 VanDerWaalsContact O-CG 3.32Å; Q334-Q338 WeakPolarHBondContact O-CG 3.27Å; Q334-Q338 PolarHBondContact O-N 2.8Å; Q334-N344 PolarHBondContact NE2-OD1 2.99Å
335	A	75.1	Confident	72.4	Confident	1 Å²	1	20 Å²	20	1%	0.008	11%	0.109	C	C	.	.	H	α-helix	trans	-59.4	-50.4	176.2	0	0	0	0	0	112.8	Y331 R332 M333 R337 Q338 L339 F787 V791	Y331-A335 WeakPolarHBondContact O-CB 3.48Å; Y331-A335 PolarHBondContact O-N 3.38Å; R332-A335 WeakPolarHBondContact O-CB 3.13Å; R332-A335 PolarHBondContact O-N 2.97Å; M333-A335 VanDerWaalsContact C-N 3.28Å; M333-A335 PolarHBondContact O-N 3.14Å; A335-R337 VanDerWaalsContact C-N 3.35Å; A335-R337 PolarHBondContact O-N 2.89Å; A335-Q338 PolarHBondContact O-N 2.99Å; A335-L339 WeakPolarHBondContact O-CG 3.43Å; A335-L339 PolarHBondContact O-N 3.4Å; A335-F787 VanDerWaalsContact CB-C 3.45Å; A335-F787 HydrophobicContact CB-CB 3.63Å; A335-V791 HydrophobicContact CB-CG2 3.89Å
336	T	74.4	Confident	72.2	Confident	2 Å²	2	14.7 Å²	14.7	1%	0.012	7%	0.074	C	C	.	.	H	α-helix	trans	-63.4	-42.7	178.8	-58.5	0	0	0	0	111.3	S75 D79 R332 M333 Q338 L339 T340	S75-T336 VanDerWaalsContact O-CG2 3.31Å; S75-T336 WeakPolarHBondContact O-CG2 3.46Å; D79-T336 HydrophobicContact CB-CG2 3.87Å; R332-T336 PolarHBondContact O-N 3.21Å; R332-T336 VanDerWaalsContact O-N 3.08Å; R332-T336 PolarHBondContact O-OG1 3.21Å; M333-T336 PolarHBondContact O-N 3.47Å; T336-Q338 VanDerWaalsContact C-N 3.34Å; T336-Q338 PolarHBondContact O-N 3.44Å; T336-L339 WeakPolarHBondContact O-CB 3.24Å; T336-L339 PolarHBondContact O-N 3.28Å; T336-L339 VanDerWaalsContact O-N 3.1Å; T336-T340 HydrophobicContact CG2-CG2 4.35Å; T336-T340 WeakPolarHBondContact O-CG2 3.43Å; T336-T340 PolarHBondContact O-N 2.82Å; T336-T340 PolarHBondContact O-OG1 2.94Å
337	R	79.6	Confident	71.7	Confident	12 Å²	12	15.6 Å²	15.6	5%	0.045	8%	0.078	C	C	.	.	H	α-helix	trans	-65.5	-33.9	-179.9	-70.4	-176.8	167.6	-175.6	-1.9	113.5	D79 M333 Q334 A335 L339 T340 G341 S342 G343 E688	D79-R337 IonicContact OD2-NE 2.91Å; M333-R337 WeakPolarHBondContact O-CB 3.37Å; M333-R337 VanDerWaalsContact O-CG 3.31Å; M333-R337 WeakPolarHBondContact O-CG 3.36Å; M333-R337 PolarHBondContact O-N 2.77Å; Q334-R337 PolarHBondContact O-N 3.48Å; A335-R337 VanDerWaalsContact C-N 3.35Å; A335-R337 PolarHBondContact O-N 2.89Å; R337-L339 VanDerWaalsContact C-N 3.31Å; R337-T340 PolarHBondContact O-N 3.41Å; R337-T340 PolarHBondContact O-OG1 3.45Å; R337-G341 PolarHBondContact O-N 2.87Å; R337-S342 PolarHBondContact O-N 3.36Å; R337-G343 VanDerWaalsContact CB-O 3.29Å; R337-G343 WeakPolarHBondContact CB-O 3.39Å; R337-E688 IonicContact CZ-OE1 3.66Å; R337-E688 IonicContact NE-OE1 3.2Å; R337-E688 PolarHBondContact NE-OE1 3.32Å; R337-E688 IonicContact NH2-OE1 3.73Å; R337-E688 PolarHBondContact NH2-OE1 2.96Å; R337-E688 IonicContact NH2-OE2 3.46Å
338	Q	73.8	Confident	71.1	Confident	78 Å²	78	16.6 Å²	16.6	36%	0.364	8%	0.079	S	C	.	.	H	α-helix	trans	-64.3	-34.7	172.3	-77.4	179	3.5	0	0	112.3	Q334 A335 T336	Q334-Q338 VanDerWaalsContact O-CG 3.32Å; Q334-Q338 WeakPolarHBondContact O-CG 3.27Å; Q334-Q338 PolarHBondContact O-N 2.8Å; A335-Q338 PolarHBondContact O-N 2.99Å; T336-Q338 VanDerWaalsContact C-N 3.34Å; T336-Q338 PolarHBondContact O-N 3.44Å
339	L	69.8	Low	70.5	Confident	51 Å²	51	16 Å²	16	27%	0.267	8%	0.079	S	C	.	.	H	α-helix	trans	-74.2	-34.1	177	-63.6	167.9	0	0	0	112.4	A335 T336 R337 M714 F787	A335-L339 WeakPolarHBondContact O-CG 3.43Å; A335-L339 PolarHBondContact O-N 3.4Å; T336-L339 WeakPolarHBondContact O-CB 3.24Å; T336-L339 PolarHBondContact O-N 3.28Å; T336-L339 VanDerWaalsContact O-N 3.1Å; R337-L339 VanDerWaalsContact C-N 3.31Å; L339-M714 VanDerWaalsContact O-CB 3.3Å; L339-M714 WeakPolarHBondContact O-CB 3.45Å; L339-M714 WeakPolarHBondContact O-CE 3.21Å; L339-F787 HydrophobicContact CD1-CB 4.33Å; L339-F787 HydrophobicContact CD1-CD1 4.25Å; L339-F787 HydrophobicContact CD1-CD2 3.31Å; L339-F787 HydrophobicContact CD1-CE1 4.4Å; L339-F787 HydrophobicContact CD1-CE2 3.48Å; L339-F787 VanDerWaalsContact CD1-CE2 3.48Å; L339-F787 HydrophobicContact CD1-CG 3.72Å; L339-F787 HydrophobicContact CD1-CZ 4.04Å; L339-F787 HydrophobicContact CD2-CD1 4.07Å; L339-F787 HydrophobicContact CD2-CD2 4.35Å; L339-F787 HydrophobicContact CD2-CE1 3.68Å; L339-F787 HydrophobicContact CD2-CE2 3.97Å; L339-F787 HydrophobicContact CD2-CG 4.39Å; L339-F787 HydrophobicContact CD2-CZ 3.62Å; L339-F787 HydrophobicContact CG-CD1 4.49Å; L339-F787 HydrophobicContact CG-CD2 4.33Å; L339-F787 HydrophobicContact CG-CE2 4.34Å; L339-F787 HydrophobicContact CG-CG 4.4Å; L339-F787 HydrophobicContact CG-CZ 4.44Å
340	T	75.6	Confident	70	Confident	4 Å²	4	19.4 Å²	19.4	3%	0.025	9%	0.094	C	C	.	.	H	α-helix	trans	-94.3	-0.5	-175.3	63.6	0	0	0	0	113.8	I76 T336 R337 S342 T718 K722	I76-T340 HydrophobicContact CD1-CG2 4.26Å; I76-T340 HydrophobicContact CG1-CG2 3.77Å; T336-T340 HydrophobicContact CG2-CG2 4.35Å; T336-T340 WeakPolarHBondContact O-CG2 3.43Å; T336-T340 PolarHBondContact O-N 2.82Å; T336-T340 PolarHBondContact O-OG1 2.94Å; R337-T340 PolarHBondContact O-N 3.41Å; R337-T340 PolarHBondContact O-OG1 3.45Å; T340-S342 VanDerWaalsContact C-N 3.33Å; T340-S342 PolarHBondContact O-N 3.31Å; T340-S342 PolarHBondContact OG1-OG 2.91Å; T340-T718 HydrophobicContact CG2-CG2 3.81Å; T340-K722 WeakPolarHBondContact O-CE 3.47Å; T340-K722 PolarHBondContact O-NZ 3.47Å
341	G	67.4	Low	68.8	Low	1 Å²	1	22.3 Å²	22.3	1%	0.01	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	29.1	-176.3	0	0	0	0	0	113.7	R337 S693	R337-G341 PolarHBondContact O-N 2.87Å; G341-S693 PolarHBondContact O-N 3.05Å; G341-S693 VanDerWaalsContact O-N 3.11Å
342	S	66.6	Low	67.9	Low	18 Å²	18	26 Å²	26	13%	0.126	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-91.1	5.4	180	-56.8	0	0	0	0	113.5	R337 T340 K722	R337-S342 PolarHBondContact O-N 3.36Å; T340-S342 VanDerWaalsContact C-N 3.33Å; T340-S342 PolarHBondContact O-N 3.31Å; T340-S342 PolarHBondContact OG1-OG 2.91Å; S342-K722 VanDerWaalsContact OG-CE 3.27Å; S342-K722 WeakPolarHBondContact OG-CE 3.38Å; S342-K722 PolarHBondContact OG-NZ 2.89Å
343	G	66.8	Low	67	Low	3 Å²	3	29.1 Å²	29.1	3%	0.031	14%	0.141	C	C	.	.			trans	75.5	-169.2	177.4	0	0	0	0	0	115.4	R337 S693	R337-G343 VanDerWaalsContact CB-O 3.29Å; R337-G343 WeakPolarHBondContact CB-O 3.39Å; G343-S693 VanDerWaalsContact CA-CB 3.5Å; G343-S693 PolarHBondContact N-O 3.13Å
344	N	69.5	Low	66	Low	14 Å²	14	36.8 Å²	36.8	8%	0.075	17%	0.169	C	C	.	.			trans	-101.3	137.6	-175.2	-163.9	-6.1	0	0	0	111.8	Y330 Q334 I346 K347 K348	Y330-N344 PolarHBondContact OH-OD1 2.82Å; Q334-N344 PolarHBondContact NE2-OD1 2.99Å; N344-I346 VanDerWaalsContact C-N 3.35Å; N344-I346 PolarHBondContact O-N 3.04Å; N344-K347 HydrophobicContact CB-CB 4.19Å; N344-K347 PolarHBondContact O-N 2.95Å; N344-K348 PolarHBondContact O-N 3.44Å
345	V	63.9	Low	64.9	Low	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59	-43.9	-176.1	-171.8	0	0	0	0	111.5	Y330 K348 A349 V676 V677	Y330-V345 HydrophobicContact CD2-CB 4.49Å; Y330-V345 HydrophobicContact CE2-CB 3.93Å; Y330-V345 HydrophobicContact CE2-CG1 4.43Å; Y330-V345 HydrophobicContact CE2-CG2 4.27Å; V345-K348 WeakPolarHBondContact O-CB 3.22Å; V345-K348 PolarHBondContact O-N 3.43Å; V345-A349 PolarHBondContact O-N 2.9Å; V345-V676 HydrophobicContact CG1-CG1 4.18Å; V345-V677 HydrophobicContact CG1-CG2 4.16Å
346	I	58.7	Low	63.9	Low	4 Å²	4	46 Å²	46	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-70	-39.2	-177.5	-60.7	179.7	0	0	0	111.7	M318 L321 N322 Y330 N344 K348 A349 K350 V698	M318-I346 HydrophobicContact CE-CG2 3.65Å; L321-I346 HydrophobicContact CD2-CG2 4.37Å; N322-I346 WeakPolarHBondContact OD1-CD1 3.46Å; N322-I346 VanDerWaalsContact OD1-CG2 3.32Å; N322-I346 WeakPolarHBondContact OD1-CG2 3.28Å; Y330-I346 HydrophobicContact CE2-CD1 4.05Å; Y330-I346 HydrophobicContact CE2-CG1 3.83Å; Y330-I346 VanDerWaalsContact OH-CD1 3.26Å; Y330-I346 WeakPolarHBondContact OH-CD1 3.43Å; Y330-I346 WeakPolarHBondContact OH-CG1 3.4Å; N344-I346 VanDerWaalsContact C-N 3.35Å; N344-I346 PolarHBondContact O-N 3.04Å; I346-K348 PolarHBondContact O-N 2.68Å; I346-A349 PolarHBondContact O-N 2.96Å; I346-K350 PolarHBondContact O-N 3.09Å; I346-V698 HydrophobicContact CG2-CG2 4.5Å
347	K	61.2	Low	62.8	Low	72 Å²	72	50.7 Å²	50.7	31%	0.313	24%	0.243	S	C	.	.	H	α-helix	trans	-61.2	-35.2	178.9	-171	175.4	178	178.8	0	111.2	N344 K350 V351	N344-K347 HydrophobicContact CB-CB 4.19Å; N344-K347 PolarHBondContact O-N 2.95Å; K347-K350 PolarHBondContact O-N 2.99Å; K347-V351 WeakPolarHBondContact O-CG2 3.12Å; K347-V351 PolarHBondContact O-N 2.84Å
348	K	60	Low	61.6	Low	45 Å²	45	57.2 Å²	57.2	20%	0.196	28%	0.278	C	S	.	.	H	α-helix	trans	-61.7	-53.4	175	-178.7	-171.5	168.3	-170.6	0	112	N344 V345 I346 K350 V351 E352	N344-K348 PolarHBondContact O-N 3.44Å; V345-K348 WeakPolarHBondContact O-CB 3.22Å; V345-K348 PolarHBondContact O-N 3.43Å; I346-K348 PolarHBondContact O-N 2.68Å; K348-K350 PolarHBondContact O-N 2.79Å; K348-V351 PolarHBondContact O-N 3.49Å; K348-E352 VanDerWaalsContact CE-CD 3.45Å; K348-E352 WeakPolarHBondContact CE-OE1 3.29Å; K348-E352 IonicContact NZ-OE1 2.86Å; K348-E352 PolarHBondContact O-N 3.25Å
349	A	58.2	Low	60.3	Low	8 Å²	8	60.5 Å²	60.5	7%	0.066	30%	0.298	C	S	.	.	H	α-helix	trans	-61.6	-29.5	-179.5	0	0	0	0	0	113.2	V345 I346 R353 V676	V345-A349 PolarHBondContact O-N 2.9Å; I346-A349 PolarHBondContact O-N 2.96Å; A349-R353 PolarHBondContact O-N 3.15Å; A349-V676 HydrophobicContact CB-CB 4.08Å; A349-V676 HydrophobicContact CB-CG1 3.57Å; A349-V676 HydrophobicContact CB-CG2 3.83Å
350	K	58.8	Low	58.9	Low	73 Å²	73	65.4 Å²	65.4	32%	0.317	33%	0.325	S	S	.	.	H	α-helix	trans	-64.3	-39.8	172.1	-171.9	176.9	-177.8	174.8	0	112.3	M318 I346 K347 K348 R354	M318-K350 HydrophobicContact CE-CB 4.34Å; I346-K350 PolarHBondContact O-N 3.09Å; K347-K350 PolarHBondContact O-N 2.99Å; K348-K350 PolarHBondContact O-N 2.79Å; K350-R354 WeakPolarHBondContact O-CG 3.39Å; K350-R354 PolarHBondContact O-N 3.49Å
351	V	56	Low	57.4	Low	62 Å²	62	76.2 Å²	76.2	38%	0.376	37%	0.365	S	S	.	.	H	α-helix	trans	-74.2	-44.8	-179.3	173.4	0	0	0	0	111.3	K347 K348 R353 R354 M355	K347-V351 WeakPolarHBondContact O-CG2 3.12Å; K347-V351 PolarHBondContact O-N 2.84Å; K348-V351 PolarHBondContact O-N 3.49Å; V351-R353 PolarHBondContact O-N 3.47Å; V351-R354 PolarHBondContact O-N 3.36Å; V351-M355 HydrophobicContact CG1-CE 3.53Å; V351-M355 PolarHBondContact O-N 3.24Å
352	E	59.5	Low	55.9	Low	83 Å²	83	84 Å²	84	39%	0.388	41%	0.406	S	S	.	.	H	α-helix	trans	-64.3	-40.8	-178.7	-73	174.3	163.2	0	0	112.3	K348 M355 S356	K348-E352 VanDerWaalsContact CE-CD 3.45Å; K348-E352 WeakPolarHBondContact CE-OE1 3.29Å; K348-E352 IonicContact NZ-OE1 2.86Å; K348-E352 PolarHBondContact O-N 3.25Å; E352-M355 PolarHBondContact O-N 2.96Å; E352-S356 PolarHBondContact O-N 3.45Å
353	R	56.7	Low	54.4	Low	67 Å²	67	90.1 Å²	90.1	25%	0.253	44%	0.443	S	S	.	.	H	α-helix	trans	-64.4	-43	176	-81.4	-157.9	-88.7	-178.8	-9.9	112.6	M318 A349 V351 M355 S356 F357	M318-R353 PolarHBondContact SD-NH2 3.39Å; A349-R353 PolarHBondContact O-N 3.15Å; V351-R353 PolarHBondContact O-N 3.47Å; R353-M355 VanDerWaalsContact C-N 3.27Å; R353-M355 PolarHBondContact O-N 3.3Å; R353-S356 PolarHBondContact O-N 3.02Å; R353-S356 VanDerWaalsContact O-N 3.1Å; R353-S356 PolarHBondContact O-OG 3.07Å; R353-F357 WeakPolarHBondContact O-CD2 3.5Å
354	R	57.3	Low	53.1	Low	163 Å²	163	96.5 Å²	96.5	62%	0.615	48%	0.481	S	S	*	.	H	α-helix	trans	-56.9	-39.2	175.4	-79.1	-178.3	179.3	-176.6	-3.1	112.8	K350 V351 S356	K350-R354 WeakPolarHBondContact O-CG 3.39Å; K350-R354 PolarHBondContact O-N 3.49Å; V351-R354 PolarHBondContact O-N 3.36Å; R354-S356 VanDerWaalsContact C-N 3.33Å; R354-S356 PolarHBondContact O-N 3.38Å
355	M	53.8	Low	51.9	Low	135 Å²	135	105.1 Å²	105.1	67%	0.665	52%	0.521	S	S	*	.	H	α-helix	trans	-68.7	-29	179	-67.8	-179.1	-172.5	0	0	113.4	V351 E352 R353 F357	V351-M355 HydrophobicContact CG1-CE 3.53Å; V351-M355 PolarHBondContact O-N 3.24Å; E352-M355 PolarHBondContact O-N 2.96Å; R353-M355 VanDerWaalsContact C-N 3.27Å; R353-M355 PolarHBondContact O-N 3.3Å; M355-F357 VanDerWaalsContact C-N 3.32Å; M355-F357 PolarHBondContact O-N 3.47Å
356	S	53.4	Low	51.3	Low	72 Å²	72	111.5 Å²	111.5	50%	0.503	56%	0.56	S	S	.	*	H	α-helix	trans	-72.3	-19.6	-178.2	69.3	0	0	0	0	114.7	E352 R353 R354	E352-S356 PolarHBondContact O-N 3.45Å; R353-S356 PolarHBondContact O-N 3.02Å; R353-S356 VanDerWaalsContact O-N 3.1Å; R353-S356 PolarHBondContact O-OG 3.07Å; R354-S356 VanDerWaalsContact C-N 3.33Å; R354-S356 PolarHBondContact O-N 3.38Å
357	F	53.1	Low	51.6	Low	100 Å²	100	119.3 Å²	119.3	44%	0.439	59%	0.591	S	S	.	*	H	α-helix	trans	-81.4	-25.1	-177.9	-85.7	-90.2	0	0	0	114.6	K310 E314 R353 M355 D359	K310-F357 HydrophobicContact CD-CE1 4.41Å; E314-F357 VanDerWaalsContact CD-CE2 3.49Å; E314-F357 HydrophobicContact CG-CE2 4.48Å; E314-F357 WeakPolarHBondContact OE1-CE2 3.28Å; E314-F357 WeakPolarHBondContact OE1-CZ 3.29Å; R353-F357 WeakPolarHBondContact O-CD2 3.5Å; M355-F357 VanDerWaalsContact C-N 3.32Å; M355-F357 PolarHBondContact O-N 3.47Å; F357-D359 PolarHBondContact O-N 3.43Å
358	D	52.7	Low	52.3	Low	148 Å²	148	119.2 Å²	119.2	79%	0.791	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-20.1	-179.1	-93.6	-21.3	0	0	0	113
359	D	48.1	Very low	53	Low	148 Å²	148	122.8 Å²	122.8	79%	0.791	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-17.6	-171.1	-146.2	23.7	0	0	0	114.4	F357 R361	F357-D359 PolarHBondContact O-N 3.43Å; D359-R361 PolarHBondContact O-N 2.84Å
360	N	39.6	Very low	53.9	Low	154 Å²	154	126.8 Å²	126.8	82%	0.824	64%	0.642	S	S	*	*			trans	-100.7	26	-160.7	-125.1	18.6	0	0	0	116.8
361	R	43.7	Very low	55.1	Low	230 Å²	230	124.7 Å²	124.7	87%	0.868	64%	0.635	S	S	*	*			trans	-104.6	13.5	-168.1	-113.5	177.1	174	153.7	-1.1	118.2	D359	D359-R361 PolarHBondContact O-N 2.84Å
362	L	36.7	Very low	56.6	Low	165 Å²	165	121.7 Å²	121.7	86%	0.864	62%	0.617	S	S	*	*			trans	-134.7	89.3	-171.3	-72.4	158.1	0	0	0	115.3
363	T	35.7	Very low	58.1	Low	147 Å²	147	121 Å²	121	90%	0.902	61%	0.611	S	S	*	*			trans	-157.1	121.1	158.9	43.3	0	0	0	0	113
364	T	38.1	Very low	59.8	Low	136 Å²	136	117.8 Å²	117.8	83%	0.834	60%	0.599	S	S	*	*			trans	-138.8	138.5	169.8	-55.3	0	0	0	0	110.1
365	E	44	Very low	61.4	Low	195 Å²	195	111.7 Å²	111.7	91%	0.911	58%	0.577	S	S	*	*			trans	-72.7	139.5	-173.8	-63.7	-178.4	163	0	0	113.9
366	T	52.6	Low	63.2	Low	135 Å²	135	105.4 Å²	105.4	83%	0.828	55%	0.546	S	S	*	.			trans	-127.3	127	-168.3	-44.1	0	0	0	0	112.2
367	Y	65.7	Low	64.8	Low	168 Å²	168	106.2 Å²	106.2	66%	0.659	55%	0.545	S	S	*	.			trans	-74	152.2	168.9	-75.5	-86.4	0	0	0	111.8
368	P	74.6	Confident	66	Low	69 Å²	69	104.7 Å²	104.7	45%	0.448	55%	0.545	S	S	.	.			trans	-60.6	143.3	176.5	-21.3	32.4	0	0	0	112.9	H370	P368-H370 VanDerWaalsContact C-N 3.26Å; P368-H370 VanDerWaalsContact CB-CE1 3.4Å; P368-H370 WeakPolarHBondContact CB-CE1 3.23Å; P368-H370 PolarHBondContact O-N 3.45Å; P368-H370 VanDerWaalsContact O-N 3.11Å
369	P	74	Confident	67.3	Low	121 Å²	121	98.7 Å²	98.7	79%	0.786	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-10.7	-168.9	25	-34.3	0	0	0	116
370	H	77.2	Confident	68.9	Low	92 Å²	92	96.1 Å²	96.1	43%	0.426	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-5.9	-173.4	58.2	-84.4	0	0	0	114.7	P368	P368-H370 VanDerWaalsContact C-N 3.26Å; P368-H370 VanDerWaalsContact CB-CE1 3.4Å; P368-H370 WeakPolarHBondContact CB-CE1 3.23Å; P368-H370 PolarHBondContact O-N 3.45Å; P368-H370 VanDerWaalsContact O-N 3.11Å
371	V	85.3	Confident	71	Confident	28 Å²	28	90 Å²	90	17%	0.17	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	130.2	-176	179.6	0	0	0	0	110.6	R373 G398 G399 V475	V371-R373 HydrophobicContact CG1-CG 4.22Å; V371-G398 CarbonylContact O-C 3.54Å; V371-G399 PolarHBondContact O-N 2.84Å; V371-G399 VanDerWaalsContact O-N 3.12Å; V371-V475 HydrophobicContact CG1-CB 4.33Å; V371-V475 HydrophobicContact CG1-CG2 3.98Å
372	Q	87.5	Confident	72.9	Confident	0 Å²	0	82.4 Å²	82.4	0%	0	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127.6	170.4	-75	-169.1	-0.3	0	0	110.6	F374 G398 D400 I472 E473 P474 V475	Q372-F374 HydrophobicContact CB-CE2 3.96Å; Q372-G398 WeakPolarHBondContact CG-O 3.34Å; Q372-D400 PolarHBondContact NE2-O 3.34Å; Q372-I472 HydrophobicContact CB-CG2 4.05Å; Q372-I472 VanDerWaalsContact CD-CG2 3.47Å; Q372-I472 HydrophobicContact CG-CG2 3.54Å; Q372-E473 PolarHBondContact N-O 3.34Å; Q372-P474 CarbonylContact O-C 3.03Å; Q372-P474 WeakPolarHBondContact O-CA 3.47Å; Q372-V475 PolarHBondContact O-N 3.35Å
373	R	89.6	Confident	75.2	Confident	67 Å²	67	75.2 Å²	75.2	25%	0.253	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.5	-175.9	-58.2	179	-68.3	147.4	-2.3	110.1	V371 F375 R396 V397 V475 V477	V371-R373 HydrophobicContact CG1-CG 4.22Å; R373-F375 HydrophobicContact CB-CD1 4.46Å; R373-R396 CarbonylContact O-C 3.52Å; R373-R396 VanDerWaalsContact O-CA 3.3Å; R373-R396 WeakPolarHBondContact O-CA 3.5Å; R373-V397 WeakPolarHBondContact CB-O 3.46Å; R373-V397 PolarHBondContact N-O 2.93Å; R373-V397 PolarHBondContact O-N 3.27Å; R373-V475 WeakPolarHBondContact CA-O 3.26Å; R373-V477 HydrophobicContact CB-CB 4.44Å; R373-V477 HydrophobicContact CB-CG2 3.67Å; R373-V477 HydrophobicContact CG-CG2 3.67Å
374	F	92.8	Very high	77.3	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.5	175	-66.9	-98.5	0	0	0	109.7	Q372 T395 R396 V405 F431 L463 P474 V475 L476 V477	Q372-F374 HydrophobicContact CB-CE2 3.96Å; F374-T395 WeakPolarHBondContact CA-O 3.5Å; F374-R396 HydrophobicContact CD1-CB 4.05Å; F374-R396 HydrophobicContact CD1-CG 4.31Å; F374-R396 HydrophobicContact CE1-CB 3.78Å; F374-R396 HydrophobicContact CE1-CG 3.72Å; F374-R396 HydrophobicContact CE2-CG 4.28Å; F374-R396 HydrophobicContact CZ-CB 4.29Å; F374-R396 HydrophobicContact CZ-CG 3.69Å; F374-V405 HydrophobicContact CE1-CB 4.34Å; F374-V405 HydrophobicContact CE1-CG1 4.29Å; F374-V405 HydrophobicContact CE2-CB 4.41Å; F374-V405 HydrophobicContact CE2-CG1 4.01Å; F374-V405 HydrophobicContact CE2-CG2 4.47Å; F374-V405 HydrophobicContact CZ-CB 3.68Å; F374-V405 HydrophobicContact CZ-CG1 3.65Å; F374-V405 HydrophobicContact CZ-CG2 3.98Å; F374-F431 HydrophobicContact CD1-CD2 4.46Å; F374-F431 HydrophobicContact CD1-CE2 4.27Å; F374-F431 HydrophobicContact CE1-CD1 4.49Å; F374-F431 AromaticContact CE1-CD2 3.95Å; F374-F431 HydrophobicContact CE1-CD2 3.95Å; F374-F431 HydrophobicContact CE1-CE2 4.2Å; F374-F431 HydrophobicContact CE1-CG 4.11Å; F374-L463 HydrophobicContact CB-CD1 4.4Å; F374-L463 HydrophobicContact CB-CD2 4.15Å; F374-L463 HydrophobicContact CD1-CD2 4.11Å; F374-L463 HydrophobicContact CD2-CD1 4.13Å; F374-L463 HydrophobicContact CD2-CD2 3.55Å; F374-L463 HydrophobicContact CE1-CD2 4.38Å; F374-L463 HydrophobicContact CE2-CD2 3.88Å; F374-L463 HydrophobicContact CG-CD2 3.68Å; F374-L463 HydrophobicContact CZ-CD2 4.28Å; F374-P474 HydrophobicContact CD2-CB 4.32Å; F374-P474 HydrophobicContact CE2-CB 3.88Å; F374-V475 PolarHBondContact N-O 2.85Å; F374-L476 HydrophobicContact CB-CD2 4.21Å; F374-L476 WeakPolarHBondContact O-CA 2.97Å; F374-V477 PolarHBondContact O-N 2.9Å
375	F	91.6	Very high	79.3	Confident	36 Å²	36	64.8 Å²	64.8	16%	0.158	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	158.7	-176.5	59.2	-82.7	0	0	0	110.5	R373 N377 T395 V397 V477	R373-F375 HydrophobicContact CB-CD1 4.46Å; F375-N377 HydrophobicContact CD2-CB 4.41Å; F375-N377 HydrophobicContact CE2-CB 4.09Å; F375-T395 HydrophobicContact CZ-CG2 4.19Å; F375-T395 PolarHBondContact N-O 3Å; F375-T395 VanDerWaalsContact N-O 3.15Å; F375-T395 PolarHBondContact O-N 3.4Å; F375-V397 HydrophobicContact CE1-CB 4.34Å; F375-V397 HydrophobicContact CE1-CG2 3.86Å; F375-V397 HydrophobicContact CZ-CG2 4Å; F375-V477 VanDerWaalsContact CB-O 3.23Å; F375-V477 WeakPolarHBondContact CB-O 3.27Å
376	F	91.2	Very high	81	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.009	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	140.8	170.9	-73.7	-72.6	0	0	0	111.4	P378 V392 T393 V394 I440 V458 L460 P479 M480 V481 A482	F376-P378 CarbonylContact C-O 3.54Å; F376-P378 WeakPolarHBondContact CB-O 3.4Å; F376-V392 HydrophobicContact CD1-CG1 3.67Å; F376-V392 HydrophobicContact CE1-CG1 3.54Å; F376-T393 WeakPolarHBondContact CA-O 3.27Å; F376-V394 HydrophobicContact CD1-CG2 3.78Å; F376-V394 HydrophobicContact CE1-CG2 3.58Å; F376-V394 HydrophobicContact CZ-CG2 4.43Å; F376-I440 HydrophobicContact CE1-CD1 4.25Å; F376-V458 HydrophobicContact CE1-CG1 4.23Å; F376-V458 WeakPolarHBondContact CE2-O 3.38Å; F376-V458 HydrophobicContact CZ-CB 4.07Å; F376-V458 HydrophobicContact CZ-CG1 3.79Å; F376-V458 WeakPolarHBondContact CZ-O 3.37Å; F376-L460 HydrophobicContact CD2-CD1 4.05Å; F376-L460 HydrophobicContact CD2-CG 4.23Å; F376-L460 HydrophobicContact CE1-CD1 4.36Å; F376-L460 HydrophobicContact CE1-CD2 4.24Å; F376-L460 HydrophobicContact CE1-CG 4.21Å; F376-L460 HydrophobicContact CE2-CB 4.46Å; F376-L460 HydrophobicContact CE2-CD1 3.85Å; F376-L460 HydrophobicContact CE2-CD2 4.33Å; F376-L460 HydrophobicContact CE2-CG 3.52Å; F376-L460 HydrophobicContact CG-CD1 4.42Å; F376-L460 HydrophobicContact CZ-CD1 4Å; F376-L460 HydrophobicContact CZ-CD2 3.79Å; F376-L460 HydrophobicContact CZ-CG 3.5Å; F376-L460 VanDerWaalsContact CZ-CG 3.5Å; F376-P479 HydrophobicContact CB-CG 4.17Å; F376-P479 PolarHBondContact N-O 3.32Å; F376-P479 WeakPolarHBondContact O-CG 3.45Å; F376-M480 VanDerWaalsContact CE2-O 3.32Å; F376-M480 WeakPolarHBondContact CE2-O 3.2Å; F376-V481 VanDerWaalsContact CD2-C 3.46Å; F376-A482 HydrophobicContact CB-CB 4.14Å; F376-A482 HydrophobicContact CD1-CB 3.77Å; F376-A482 HydrophobicContact CD2-CB 3.7Å; F376-A482 VanDerWaalsContact CD2-N 3.29Å; F376-A482 HydrophobicContact CE1-CB 3.99Å; F376-A482 HydrophobicContact CE2-CB 3.89Å; F376-A482 VanDerWaalsContact CE2-N 3.3Å; F376-A482 HydrophobicContact CG-CB 3.62Å; F376-A482 HydrophobicContact CZ-CB 4.03Å
377	N	86.3	Confident	82.6	Confident	90 Å²	90	55.9 Å²	55.9	48%	0.481	30%	0.296	S	S	.	.	S	Bend	trans	-139.5	102.3	176.7	-171.7	11.4	0	0	0	110.5	F375 Y381 T393 T395	F375-N377 HydrophobicContact CD2-CB 4.41Å; F375-N377 HydrophobicContact CE2-CB 4.09Å; N377-Y381 PolarHBondContact O-OH 2.95Å; N377-T393 PolarHBondContact N-O 3.27Å; N377-T395 VanDerWaalsContact CB-OG1 3.26Å; N377-T395 WeakPolarHBondContact CB-OG1 3.4Å
378	P	79.3	Confident	83.7	Confident	67 Å²	67	49.3 Å²	49.3	44%	0.435	28%	0.28	S	S	.	.	S	Bend	cis	-73.3	169.6	-3.8	31.3	-37.9	0	0	0	113.9	F376 H380 Y381	F376-P378 CarbonylContact C-O 3.54Å; F376-P378 WeakPolarHBondContact CB-O 3.4Å; P378-H380 WeakPolarHBondContact CG-O 3.33Å; P378-Y381 WeakPolarHBondContact CD-OH 3.37Å; P378-Y381 HydrophobicContact CG-CD1 4.35Å; P378-Y381 HydrophobicContact CG-CE1 3.87Å; P378-Y381 HydrophobicContact CG-CE2 4.26Å; P378-Y381 WeakPolarHBondContact O-CE2 3.22Å; P378-Y381 PolarHBondContact O-OH 2.81Å
379	G	80.2	Confident	84.5	Confident	22 Å²	22	49.6 Å²	49.6	23%	0.227	28%	0.281	C	S	.	.	S	Bend	trans	-87.8	-2	172.1	0	0	0	0	0	114.8	A482 T483	G379-A482 VanDerWaalsContact O-CA 3.31Å; G379-A482 WeakPolarHBondContact O-CA 3.25Å; G379-T483 PolarHBondContact O-N 2.87Å; G379-T483 VanDerWaalsContact O-N 3.11Å
380	H	80.4	Confident	85.3	Confident	94 Å²	94	44.5 Å²	44.5	44%	0.435	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	130.6	177.8	-171.9	-82.4	0	0	0	108.4	P378 T382 T483	P378-H380 WeakPolarHBondContact CG-O 3.33Å; H380-T382 PolarHBondContact CE1-OG1 3.3Å; H380-T382 VanDerWaalsContact CE1-OG1 3.31Å; H380-T483 CarbonylContact C-O 3.52Å; H380-T483 WeakPolarHBondContact CA-O 3.37Å
381	Y	84.6	Confident	86.1	Confident	26 Å²	26	42.7 Å²	42.7	10%	0.102	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.6	176.7	-66.9	-93	0	0	0	107.9	N377 P378 F390 V392 T393 A482 T483 I484 M485	N377-Y381 PolarHBondContact O-OH 2.95Å; P378-Y381 WeakPolarHBondContact CD-OH 3.37Å; P378-Y381 HydrophobicContact CG-CD1 4.35Å; P378-Y381 HydrophobicContact CG-CE1 3.87Å; P378-Y381 HydrophobicContact CG-CE2 4.26Å; P378-Y381 WeakPolarHBondContact O-CE2 3.22Å; P378-Y381 PolarHBondContact O-OH 2.81Å; Y381-F390 HydrophobicContact CD1-CE2 4.32Å; Y381-F390 HydrophobicContact CG-CE2 4.39Å; Y381-V392 HydrophobicContact CD2-CG1 4.41Å; Y381-V392 HydrophobicContact CD2-CG2 4.23Å; Y381-V392 HydrophobicContact CE2-CB 4.32Å; Y381-V392 HydrophobicContact CE2-CG1 3.7Å; Y381-V392 HydrophobicContact CE2-CG2 4.17Å; Y381-V392 HydrophobicContact CG-CG2 4.44Å; Y381-T393 PolarHBondContact OH-N 3.46Å; Y381-A482 HydrophobicContact CD2-CB 4.09Å; Y381-A482 HydrophobicContact CE2-CB 3.97Å; Y381-T483 PolarHBondContact N-O 3.38Å; Y381-I484 CarbonylContact O-C 3.5Å; Y381-I484 WeakPolarHBondContact O-CA 3.35Å; Y381-M485 PolarHBondContact O-N 3.28Å
382	T	82.7	Confident	86.5	Confident	71 Å²	71	41.3 Å²	41.3	44%	0.436	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.6	171.9	-55.9	0	0	0	0	106.3	H380 M485 L487	H380-T382 PolarHBondContact CE1-OG1 3.3Å; H380-T382 VanDerWaalsContact CE1-OG1 3.31Å; T382-M485 WeakPolarHBondContact CA-O 3.37Å; T382-M485 HydrophobicContact CG2-CE 3.56Å; T382-M485 WeakPolarHBondContact OG1-CE 3.3Å; T382-L487 HydrophobicContact CG2-CD1 3.3Å; T382-L487 HydrophobicContact CG2-CD2 4.31Å; T382-L487 HydrophobicContact CG2-CG 3.61Å
383	V	84.9	Confident	86.8	Confident	14 Å²	14	42.5 Å²	42.5	9%	0.085	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	146	-178	-63.2	0	0	0	0	109.3	V387 F390 I444 I484 M485 V486 L487	V383-V387 HydrophobicContact CB-CB 4.35Å; V383-V387 HydrophobicContact CB-CG1 3.98Å; V383-V387 HydrophobicContact CG2-CG1 4.31Å; V383-F390 HydrophobicContact CG1-CD1 3.93Å; V383-F390 HydrophobicContact CG1-CD2 3.88Å; V383-F390 HydrophobicContact CG1-CE1 3.95Å; V383-F390 HydrophobicContact CG1-CE2 3.88Å; V383-F390 HydrophobicContact CG1-CG 3.91Å; V383-F390 HydrophobicContact CG1-CZ 3.93Å; V383-F390 HydrophobicContact CG2-CE1 4.06Å; V383-F390 HydrophobicContact CG2-CZ 4.35Å; V383-I444 HydrophobicContact CG2-CD1 4.35Å; V383-I444 HydrophobicContact CG2-CG1 4.08Å; V383-I484 HydrophobicContact CG2-CG2 3.82Å; V383-M485 PolarHBondContact N-O 3Å; V383-V486 HydrophobicContact CG2-CG2 4.3Å; V383-V486 CarbonylContact O-C 3.6Å; V383-V486 WeakPolarHBondContact O-CA 3.43Å; V383-L487 PolarHBondContact O-N 3.05Å
384	M	79.8	Confident	87	Confident	48 Å²	48	39.3 Å²	39.3	24%	0.236	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	151.4	169.7	-58.5	-71.5	-80.3	0	0	108.4	N386 V387 L487 D489	M384-N386 VanDerWaalsContact CB-OD1 3.32Å; M384-N386 WeakPolarHBondContact CB-OD1 3.15Å; M384-N386 PolarHBondContact O-N 2.92Å; M384-V387 VanDerWaalsContact O-CB 3.25Å; M384-V387 WeakPolarHBondContact O-CB 3.49Å; M384-V387 VanDerWaalsContact O-CG1 3.28Å; M384-V387 WeakPolarHBondContact O-CG1 3.28Å; M384-V387 PolarHBondContact O-N 3.48Å; M384-V387 VanDerWaalsContact O-N 3.1Å; M384-L487 HydrophobicContact SD-CB 4.29Å; M384-D489 HydrophobicContact CE-CB 3.27Å
385	E	80.2	Confident	87	Confident	16 Å²	16	40.2 Å²	40.2	8%	0.075	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-52	-44.8	174.1	-157.4	-170.5	154.7	0	0	112	V387 I444 I445 D446 D447 V486 L487	E385-V387 PolarHBondContact O-N 3.42Å; E385-I444 HydrophobicContact CG-CG2 4.48Å; E385-I444 VanDerWaalsContact O-CG2 3.31Å; E385-I444 WeakPolarHBondContact O-CG2 3.37Å; E385-I445 WeakPolarHBondContact CG-O 3.15Å; E385-D446 WeakPolarHBondContact OE1-CA 3.35Å; E385-D447 PolarHBondContact OE1-N 3.23Å; E385-V486 HydrophobicContact CB-CG1 4.35Å; E385-V486 HydrophobicContact CG-CG1 4.4Å; E385-L487 PolarHBondContact N-O 3.35Å
386	N	81.2	Confident	87	Confident	85 Å²	85	38.6 Å²	38.6	46%	0.455	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-69.5	4.1	178.8	72.7	17	0	0	0	116.7	M384 G388 D446 D489	M384-N386 VanDerWaalsContact CB-OD1 3.32Å; M384-N386 WeakPolarHBondContact CB-OD1 3.15Å; M384-N386 PolarHBondContact O-N 2.92Å; N386-G388 PolarHBondContact O-N 3.35Å; N386-D446 WeakPolarHBondContact CA-OD1 3.26Å; N386-D446 WeakPolarHBondContact CB-OD1 3.48Å; N386-D446 PolarHBondContact N-OD1 3.06Å; N386-D489 PolarHBondContact ND2-OD2 3.05Å
387	V	85.9	Confident	86.8	Confident	57 Å²	57	41 Å²	41	35%	0.345	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-64.5	-23.7	-174.6	74.8	0	0	0	0	112.8	V383 M384 E385 T389 F390 I444	V383-V387 HydrophobicContact CB-CB 4.35Å; V383-V387 HydrophobicContact CB-CG1 3.98Å; V383-V387 HydrophobicContact CG2-CG1 4.31Å; M384-V387 VanDerWaalsContact O-CB 3.25Å; M384-V387 WeakPolarHBondContact O-CB 3.49Å; M384-V387 VanDerWaalsContact O-CG1 3.28Å; M384-V387 WeakPolarHBondContact O-CG1 3.28Å; M384-V387 PolarHBondContact O-N 3.48Å; M384-V387 VanDerWaalsContact O-N 3.1Å; E385-V387 PolarHBondContact O-N 3.42Å; V387-T389 PolarHBondContact O-N 3.47Å; V387-T389 VanDerWaalsContact O-N 3.16Å; V387-F390 HydrophobicContact CG1-CD1 4.03Å; V387-F390 HydrophobicContact CG2-CB 4.19Å; V387-I444 HydrophobicContact CG1-CB 3.93Å; V387-I444 HydrophobicContact CG1-CG1 3.64Å
388	G	87.9	Confident	86.7	Confident	31 Å²	31	38.2 Å²	38.2	32%	0.32	24%	0.235	S	C	.	.			trans	66.8	-105.7	-171.3	0	0	0	0	0	111.1	N386 S443 I444	N386-G388 PolarHBondContact O-N 3.35Å; G388-S443 CarbonylContact O-C 3.55Å; G388-S443 VanDerWaalsContact O-CA 3.32Å; G388-S443 WeakPolarHBondContact O-CA 3.38Å; G388-I444 PolarHBondContact O-N 3.04Å
389	T	91.3	Very high	86.7	Confident	75 Å²	75	36.4 Å²	36.4	46%	0.46	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.6	-178	-46	0	0	0	0	112.1	V387 M441 I442 S443	V387-T389 PolarHBondContact O-N 3.47Å; V387-T389 VanDerWaalsContact O-N 3.16Å; T389-M441 HydrophobicContact CG2-CB 4.11Å; T389-M441 HydrophobicContact CG2-CE 3.87Å; T389-I442 CarbonylContact C-O 3.5Å; T389-I442 VanDerWaalsContact CA-O 3.28Å; T389-I442 WeakPolarHBondContact CA-O 3.34Å; T389-I442 WeakPolarHBondContact CG2-O 3.28Å; T389-S443 PolarHBondContact OG1-OG 3.16Å
390	F	92.2	Very high	86.7	Confident	14 Å²	14	37 Å²	37	6%	0.061	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	156.8	-179.6	75.5	-81.1	0	0	0	113.8	Y381 V383 V387 V392 I442 I444 I484	Y381-F390 HydrophobicContact CD1-CE2 4.32Å; Y381-F390 HydrophobicContact CG-CE2 4.39Å; V383-F390 HydrophobicContact CG1-CD1 3.93Å; V383-F390 HydrophobicContact CG1-CD2 3.88Å; V383-F390 HydrophobicContact CG1-CE1 3.95Å; V383-F390 HydrophobicContact CG1-CE2 3.88Å; V383-F390 HydrophobicContact CG1-CG 3.91Å; V383-F390 HydrophobicContact CG1-CZ 3.93Å; V383-F390 HydrophobicContact CG2-CE1 4.06Å; V383-F390 HydrophobicContact CG2-CZ 4.35Å; V387-F390 HydrophobicContact CG1-CD1 4.03Å; V387-F390 HydrophobicContact CG2-CB 4.19Å; F390-V392 HydrophobicContact CD2-CG2 4.3Å; F390-V392 HydrophobicContact CE2-CG2 3.56Å; F390-V392 HydrophobicContact CZ-CG2 4.2Å; F390-I442 HydrophobicContact CE1-CB 4.03Å; F390-I442 HydrophobicContact CE1-CG2 4.23Å; F390-I442 HydrophobicContact CZ-CB 4.21Å; F390-I442 HydrophobicContact CZ-CD1 4.5Å; F390-I442 PolarHBondContact N-O 2.93Å; F390-I442 PolarHBondContact O-N 3.16Å; F390-I444 HydrophobicContact CD1-CG1 4.2Å; F390-I444 HydrophobicContact CE1-CD1 3.94Å; F390-I444 HydrophobicContact CE1-CG1 3.85Å; F390-I484 HydrophobicContact CE1-CG2 4.33Å; F390-I484 HydrophobicContact CE2-CG1 4.31Å; F390-I484 HydrophobicContact CZ-CB 4.45Å; F390-I484 HydrophobicContact CZ-CG1 3.83Å; F390-I484 HydrophobicContact CZ-CG2 3.66Å
391	P	93.6	Very high	86.9	Confident	53 Å²	53	35 Å²	35	34%	0.344	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	127	-179	33.5	-32	0	0	0	114.2	Q439 I440 M441	P391-Q439 HydrophobicContact CB-CB 4.11Å; P391-Q439 HydrophobicContact CB-CG 4.15Å; P391-I440 CarbonylContact C-O 3.54Å; P391-I440 WeakPolarHBondContact CA-O 3.36Å; P391-M441 HydrophobicContact CB-SD 3.87Å
392	V	94.2	Very high	86.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127.7	167.7	172.8	0	0	0	0	110.2	F376 Y381 F390 Q439 I440 I442 A482 I484	F376-V392 HydrophobicContact CD1-CG1 3.67Å; F376-V392 HydrophobicContact CE1-CG1 3.54Å; Y381-V392 HydrophobicContact CD2-CG1 4.41Å; Y381-V392 HydrophobicContact CD2-CG2 4.23Å; Y381-V392 HydrophobicContact CE2-CB 4.32Å; Y381-V392 HydrophobicContact CE2-CG1 3.7Å; Y381-V392 HydrophobicContact CE2-CG2 4.17Å; Y381-V392 HydrophobicContact CG-CG2 4.44Å; F390-V392 HydrophobicContact CD2-CG2 4.3Å; F390-V392 HydrophobicContact CE2-CG2 3.56Å; F390-V392 HydrophobicContact CZ-CG2 4.2Å; V392-Q439 CarbonylContact O-C 3.5Å; V392-Q439 VanDerWaalsContact O-CA 3.26Å; V392-Q439 WeakPolarHBondContact O-CA 3.42Å; V392-I440 HydrophobicContact CB-CB 4.37Å; V392-I440 PolarHBondContact N-O 3.45Å; V392-I440 PolarHBondContact O-N 3.05Å; V392-I442 HydrophobicContact CB-CD1 4.34Å; V392-I442 HydrophobicContact CG2-CD1 3.6Å; V392-I442 HydrophobicContact CG2-CG1 4.38Å; V392-A482 HydrophobicContact CG1-CB 4.18Å; V392-I484 HydrophobicContact CG2-CD1 4.48Å; V392-I484 HydrophobicContact CG2-CG1 4.48Å
393	T	93.1	Very high	86.9	Confident	25 Å²	25	37.1 Å²	37.1	15%	0.153	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129	-169	-57.7	0	0	0	0	112.9	F376 N377 Y381 H437 K438	F376-T393 WeakPolarHBondContact CA-O 3.27Å; N377-T393 PolarHBondContact N-O 3.27Å; Y381-T393 PolarHBondContact OH-N 3.46Å; T393-H437 HydrophobicContact CG2-CB 3.97Å; T393-K438 CarbonylContact C-O 3.5Å; T393-K438 WeakPolarHBondContact CA-O 3.07Å
394	V	94.7	Very high	87.1	Confident	0 Å²	0	38 Å²	38	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.7	173.1	-177.5	0	0	0	0	108.9	F376 L429 F431 H437 K438 I440 L460	F376-V394 HydrophobicContact CD1-CG2 3.78Å; F376-V394 HydrophobicContact CE1-CG2 3.58Å; F376-V394 HydrophobicContact CZ-CG2 4.43Å; V394-L429 HydrophobicContact CB-CD1 4.12Å; V394-L429 HydrophobicContact CG2-CD1 3.73Å; V394-F431 HydrophobicContact CB-CZ 4.12Å; V394-F431 HydrophobicContact CG1-CE2 4.26Å; V394-F431 HydrophobicContact CG1-CZ 3.9Å; V394-H437 CarbonylContact O-C 3.6Å; V394-H437 WeakPolarHBondContact O-CA 3.5Å; V394-K438 PolarHBondContact N-O 2.94Å; V394-K438 PolarHBondContact O-N 3.23Å; V394-I440 HydrophobicContact CG2-CD1 4.16Å; V394-L460 HydrophobicContact CB-CD1 4.48Å; V394-L460 HydrophobicContact CG1-CD1 3.65Å; V394-L460 HydrophobicContact CG1-CD2 4.41Å; V394-L460 HydrophobicContact CG2-CD1 4.02Å; V394-L460 HydrophobicContact CG2-CD2 3.81Å; V394-L460 HydrophobicContact CG2-CG 4.46Å
395	T	92.4	Very high	87.7	Confident	18 Å²	18	35.7 Å²	35.7	11%	0.11	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	144	-176	-56.2	0	0	0	0	111.8	F374 F375 N377 V397 T436	F374-T395 WeakPolarHBondContact CA-O 3.5Å; F375-T395 HydrophobicContact CZ-CG2 4.19Å; F375-T395 PolarHBondContact N-O 3Å; F375-T395 VanDerWaalsContact N-O 3.15Å; F375-T395 PolarHBondContact O-N 3.4Å; N377-T395 VanDerWaalsContact CB-OG1 3.26Å; N377-T395 WeakPolarHBondContact CB-OG1 3.4Å; T395-V397 HydrophobicContact CG2-CG2 3.81Å; T395-T436 WeakPolarHBondContact CA-O 3.31Å
396	R	90.7	Very high	88.3	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.008	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.9	174.5	177.5	173.7	67.7	168.8	-2.7	110.2	R373 F374 M401 A403 F431 S432 E435 T436	R373-R396 CarbonylContact O-C 3.52Å; R373-R396 VanDerWaalsContact O-CA 3.3Å; R373-R396 WeakPolarHBondContact O-CA 3.5Å; F374-R396 HydrophobicContact CD1-CB 4.05Å; F374-R396 HydrophobicContact CD1-CG 4.31Å; F374-R396 HydrophobicContact CE1-CB 3.78Å; F374-R396 HydrophobicContact CE1-CG 3.72Å; F374-R396 HydrophobicContact CE2-CG 4.28Å; F374-R396 HydrophobicContact CZ-CB 4.29Å; F374-R396 HydrophobicContact CZ-CG 3.69Å; R396-M401 HydrophobicContact CG-CE 4.18Å; R396-M401 HydrophobicContact CG-SD 4.06Å; R396-M401 PolarHBondContact NH2-O 2.86Å; R396-M401 WeakPolarHBondContact O-CE 2.99Å; R396-A403 PolarHBondContact NH1-O 2.86Å; R396-F431 HydrophobicContact CB-CD1 4.32Å; R396-F431 HydrophobicContact CB-CE1 4.27Å; R396-S432 PolarHBondContact NH2-O 3.26Å; R396-E435 PolarHBondContact NE-O 2.95Å; R396-E435 PolarHBondContact NH2-O 3.46Å; R396-T436 PolarHBondContact N-O 3.41Å
397	V	87.5	Confident	88.9	Confident	54 Å²	54	30.9 Å²	30.9	33%	0.327	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	138.6	179.4	-170.5	0	0	0	0	112.7	R373 F375 T395	R373-V397 WeakPolarHBondContact CB-O 3.46Å; R373-V397 PolarHBondContact N-O 2.93Å; R373-V397 PolarHBondContact O-N 3.27Å; F375-V397 HydrophobicContact CE1-CB 4.34Å; F375-V397 HydrophobicContact CE1-CG2 3.86Å; F375-V397 HydrophobicContact CZ-CG2 4Å; T395-V397 HydrophobicContact CG2-CG2 3.81Å
398	G	83.3	Confident	89.4	Confident	31 Å²	31	30.7 Å²	30.7	32%	0.32	19%	0.188	S	C	.	.	S	Bend	trans	87.4	173.5	178	0	0	0	0	0	112.7	V371 Q372	V371-G398 CarbonylContact O-C 3.54Å; Q372-G398 WeakPolarHBondContact CG-O 3.34Å
399	G	79.5	Confident	89.8	Confident	29 Å²	29	31 Å²	31	30%	0.299	18%	0.179	S	C	.	.	S	Bend	trans	60.5	-160.2	-178.3	0	0	0	0	0	114.6	V371 M401	V371-G399 PolarHBondContact O-N 2.84Å; V371-G399 VanDerWaalsContact O-N 3.12Å; G399-M401 PolarHBondContact O-N 3.49Å
400	D	81	Confident	89.9	Confident	34 Å²	34	29.7 Å²	29.7	18%	0.182	17%	0.167	C	C	.	.			trans	-87.7	97.1	-175.4	174.6	14.3	0	0	0	113.5	Q372 H402 A403 T470 I472	Q372-D400 PolarHBondContact NE2-O 3.34Å; D400-H402 PolarHBondContact O-N 2.82Å; D400-H402 WeakPolarHBondContact OD1-CB 3.32Å; D400-H402 IonicContact OD1-CD2 3.99Å; D400-H402 PolarHBondContact OD1-CD2 2.89Å; D400-H402 IonicContact OD1-CG 2.72Å; D400-H402 PolarHBondContact OD1-N 3.43Å; D400-H402 VanDerWaalsContact OD1-N 3.09Å; D400-A403 PolarHBondContact O-N 3.43Å; D400-A403 VanDerWaalsContact O-N 3.11Å; D400-T470 PolarHBondContact OD2-OG1 3.09Å; D400-I472 HydrophobicContact CB-CD1 3.73Å; D400-I472 HydrophobicContact CB-CG1 4.19Å
401	M	83.5	Confident	90.1	Very high	52 Å²	52	29.8 Å²	29.8	26%	0.256	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-6.2	-176.5	-128.5	64	146.5	0	0	115.5	R396 G399 G434 T436	R396-M401 HydrophobicContact CG-CE 4.18Å; R396-M401 HydrophobicContact CG-SD 4.06Å; R396-M401 PolarHBondContact NH2-O 2.86Å; R396-M401 WeakPolarHBondContact O-CE 2.99Å; G399-M401 PolarHBondContact O-N 3.49Å; M401-G434 PolarHBondContact O-N 3.13Å; M401-T436 HydrophobicContact CE-CG2 3.8Å
402	H	83.1	Confident	90.1	Very high	140 Å²	140	31 Å²	31	65%	0.648	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-13.5	175.5	-63.9	-67.6	0	0	0	114	D400 A433	D400-H402 PolarHBondContact O-N 2.82Å; D400-H402 WeakPolarHBondContact OD1-CB 3.32Å; D400-H402 IonicContact OD1-CD2 3.99Å; D400-H402 PolarHBondContact OD1-CD2 2.89Å; D400-H402 IonicContact OD1-CG 2.72Å; D400-H402 PolarHBondContact OD1-N 3.43Å; D400-H402 VanDerWaalsContact OD1-N 3.09Å; H402-A433 WeakPolarHBondContact O-CB 3.48Å
403	A	85	Confident	89.8	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.008	20%	0.195	C	C	.	.	S	Bend	trans	-72.3	147.3	177.4	0	0	0	0	0	113.1	R396 D400 V405 H467 I472	R396-A403 PolarHBondContact NH1-O 2.86Å; D400-A403 PolarHBondContact O-N 3.43Å; D400-A403 VanDerWaalsContact O-N 3.11Å; A403-V405 HydrophobicContact CB-CG2 4.49Å; A403-H467 CarbonylContact C-O 3.57Å; A403-H467 WeakPolarHBondContact CA-O 3.48Å; A403-I472 HydrophobicContact CB-CD1 3.23Å
404	V	90.1	Very high	89.4	Confident	32 Å²	32	36 Å²	36	19%	0.194	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	116.6	174.1	-175.9	0	0	0	0	108.5	L430 F431 K466 H467	V404-L430 HydrophobicContact CG1-CD1 3.59Å; V404-L430 HydrophobicContact CG1-CG 4.17Å; V404-F431 VanDerWaalsContact CA-O 3.28Å; V404-F431 WeakPolarHBondContact CA-O 3.33Å; V404-F431 WeakPolarHBondContact CG1-O 3.43Å; V404-K466 HydrophobicContact CB-CB 4.4Å; V404-K466 HydrophobicContact CG1-CB 4.06Å; V404-K466 PolarHBondContact O-N 2.7Å; V404-H467 HydrophobicContact CB-CB 4.06Å; V404-H467 HydrophobicContact CG2-CB 4.17Å; V404-H467 PolarHBondContact N-O 3.04Å; V404-H467 PolarHBondContact O-N 3.47Å
405	V	91.7	Very high	88.8	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.7	-176.9	-175.9	0	0	0	0	108.7	F374 A403 F431 L463 E464 V465 P474	F374-V405 HydrophobicContact CE1-CB 4.34Å; F374-V405 HydrophobicContact CE1-CG1 4.29Å; F374-V405 HydrophobicContact CE2-CB 4.41Å; F374-V405 HydrophobicContact CE2-CG1 4.01Å; F374-V405 HydrophobicContact CE2-CG2 4.47Å; F374-V405 HydrophobicContact CZ-CB 3.68Å; F374-V405 HydrophobicContact CZ-CG1 3.65Å; F374-V405 HydrophobicContact CZ-CG2 3.98Å; A403-V405 HydrophobicContact CB-CG2 4.49Å; V405-F431 PolarHBondContact N-O 3.07Å; V405-F431 WeakPolarHBondContact O-CB 3.13Å; V405-F431 PolarHBondContact O-N 2.92Å; V405-L463 HydrophobicContact CG1-CD2 3.67Å; V405-E464 CarbonylContact C-O 3.53Å; V405-E464 WeakPolarHBondContact CA-O 3.2Å; V405-V465 HydrophobicContact CG2-CG2 4.4Å; V405-P474 HydrophobicContact CG1-CB 4.37Å
406	S	92.1	Very high	88.6	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	144.2	172.2	62.7	0	0	0	0	111.5	L429 L463 E464 K466	S406-L429 CarbonylContact C-O 3.5Å; S406-L429 WeakPolarHBondContact CA-O 3.3Å; S406-L463 WeakPolarHBondContact O-CA 3.17Å; S406-E464 PolarHBondContact N-O 3.07Å; S406-E464 PolarHBondContact O-N 3.39Å; S406-E464 PolarHBondContact OG-O 2.98Å; S406-K466 WeakPolarHBondContact OG-CE 3.26Å
407	V	94.8	Very high	88.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.7	174.1	62.4	0	0	0	0	109.4	L429 F431 L460 L463	V407-L429 HydrophobicContact CG1-CB 3.82Å; V407-L429 HydrophobicContact CG1-CD1 4.29Å; V407-L429 PolarHBondContact N-O 2.95Å; V407-L429 PolarHBondContact O-N 3.22Å; V407-F431 HydrophobicContact CG1-CD2 4.46Å; V407-F431 HydrophobicContact CG1-CE2 3.94Å; V407-L460 HydrophobicContact CG1-CD2 4.31Å; V407-L460 HydrophobicContact CG2-CB 3.88Å; V407-L460 HydrophobicContact CG2-CD2 3.99Å; V407-L460 HydrophobicContact CG2-CG 4.37Å; V407-L463 HydrophobicContact CB-CD2 4.06Å; V407-L463 HydrophobicContact CG2-CD2 4.3Å; V407-L463 HydrophobicContact CG2-CG 4.4Å
408	E	95	Very high	88.5	Confident	53 Å²	53	40.3 Å²	40.3	25%	0.248	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	143	175.2	-67.2	176.3	-137.3	0	0	110.1	G427 L428 L460 R461 N462	E408-G427 WeakPolarHBondContact CA-O 3.41Å; E408-L428 HydrophobicContact CB-CD1 4.48Å; E408-L428 HydrophobicContact CG-CD1 3.59Å; E408-L460 WeakPolarHBondContact O-CA 3.39Å; E408-R461 HydrophobicContact CB-CG 4.07Å; E408-R461 WeakPolarHBondContact CB-O 3.23Å; E408-R461 PolarHBondContact N-O 3.02Å; E408-R461 PolarHBondContact O-N 2.94Å; E408-R461 IonicContact OE2-CZ 3.78Å; E408-R461 IonicContact OE2-NH1 3.41Å; E408-R461 PolarHBondContact OE2-NH1 3.31Å; E408-R461 IonicContact OE2-NH2 2.66Å; E408-R461 PolarHBondContact OE2-NH2 3.2Å; E408-N462 HydrophobicContact CB-CB 4.5Å; E408-N462 HydrophobicContact CG-CB 4.23Å; E408-N462 WeakPolarHBondContact OE1-CB 3.41Å; E408-N462 PolarHBondContact OE1-ND2 3.08Å
409	Y	96.2	Very high	88.6	Confident	37 Å²	37	41.5 Å²	41.5	15%	0.145	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	150.6	174.1	71.1	-86.6	0	0	0	112	V425 K426 G427 L429 I440 H459	Y409-V425 HydrophobicContact CE2-CG1 3.77Å; Y409-K426 WeakPolarHBondContact O-CA 3.27Å; Y409-G427 WeakPolarHBondContact CD1-O 3.36Å; Y409-G427 PolarHBondContact N-O 3.01Å; Y409-G427 PolarHBondContact O-N 3.31Å; Y409-L429 HydrophobicContact CD1-CD1 4.25Å; Y409-L429 HydrophobicContact CD1-CD2 4.28Å; Y409-L429 HydrophobicContact CD1-CG 3.66Å; Y409-L429 HydrophobicContact CE1-CD2 3.87Å; Y409-L429 HydrophobicContact CE1-CG 3.75Å; Y409-I440 HydrophobicContact CD1-CD1 4.09Å; Y409-I440 HydrophobicContact CD1-CG1 4.18Å; Y409-I440 HydrophobicContact CD2-CB 4.46Å; Y409-I440 HydrophobicContact CD2-CD1 3.62Å; Y409-I440 HydrophobicContact CD2-CG1 3.91Å; Y409-I440 HydrophobicContact CD2-CG2 3.7Å; Y409-I440 HydrophobicContact CE1-CG1 4.21Å; Y409-I440 HydrophobicContact CE2-CB 4.25Å; Y409-I440 HydrophobicContact CE2-CD1 4.2Å; Y409-I440 HydrophobicContact CE2-CG1 3.96Å; Y409-I440 HydrophobicContact CE2-CG2 3.33Å; Y409-I440 HydrophobicContact CG-CD1 3.54Å; Y409-I440 HydrophobicContact CG-CG1 4.01Å; Y409-H459 VanDerWaalsContact CA-O 3.24Å; Y409-H459 WeakPolarHBondContact CA-O 3.18Å
410	F	94.9	Very high	88.9	Confident	48 Å²	48	46.6 Å²	46.6	21%	0.211	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	150.9	177.3	63.2	-73.4	0	0	0	110.6	L412 V425 K426 H459 R461	F410-L412 HydrophobicContact CD2-CD2 4.11Å; F410-L412 HydrophobicContact CD2-CG 3.95Å; F410-L412 HydrophobicContact CE2-CD1 3.74Å; F410-L412 HydrophobicContact CE2-CD2 3.89Å; F410-L412 HydrophobicContact CE2-CG 3.6Å; F410-L412 HydrophobicContact CZ-CD1 4.49Å; F410-V425 WeakPolarHBondContact CA-O 3.26Å; F410-K426 HydrophobicContact CB-CB 4.09Å; F410-H459 HydrophobicContact CD1-CB 4.16Å; F410-H459 HydrophobicContact CE1-CB 3.53Å; F410-H459 HydrophobicContact CE2-CB 4.23Å; F410-H459 HydrophobicContact CZ-CB 3.59Å; F410-H459 PolarHBondContact N-O 3.15Å; F410-H459 PolarHBondContact O-N 3.24Å; F410-R461 HydrophobicContact CD1-CG 4.21Å; F410-R461 HydrophobicContact CE1-CB 4.45Å; F410-R461 HydrophobicContact CE1-CG 3.73Å; F410-R461 VanDerWaalsContact CE1-NE 3.32Å
411	T	95.3	Very high	89.2	Confident	16 Å²	16	46 Å²	46	10%	0.098	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	149.8	171.7	55	0	0	0	0	111.5	Y422 P424 V425 F456 T457 V458	T411-Y422 HydrophobicContact CG2-CE2 4.01Å; T411-P424 WeakPolarHBondContact OG1-CA 3.22Å; T411-V425 PolarHBondContact N-O 3.4Å; T411-V425 PolarHBondContact OG1-N 3.3Å; T411-V425 VanDerWaalsContact OG1-N 3.15Å; T411-V425 PolarHBondContact OG1-O 3.25Å; T411-F456 HydrophobicContact CG2-CD2 4.41Å; T411-F456 HydrophobicContact CG2-CE2 4.26Å; T411-T457 CarbonylContact C-O 3.59Å; T411-T457 VanDerWaalsContact CA-O 3.31Å; T411-T457 WeakPolarHBondContact CA-O 3.45Å; T411-V458 HydrophobicContact CG2-CG2 4.09Å
412	L	93	Very high	89.7	Confident	80 Å²	80	43.6 Å²	43.6	42%	0.419	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	134.8	169.4	-73.7	179.8	0	0	0	109.6	F410 F456 T457	F410-L412 HydrophobicContact CD2-CD2 4.11Å; F410-L412 HydrophobicContact CD2-CG 3.95Å; F410-L412 HydrophobicContact CE2-CD1 3.74Å; F410-L412 HydrophobicContact CE2-CD2 3.89Å; F410-L412 HydrophobicContact CE2-CG 3.6Å; F410-L412 HydrophobicContact CZ-CD1 4.49Å; L412-F456 WeakPolarHBondContact O-CB 3.49Å; L412-T457 PolarHBondContact N-O 2.92Å; L412-T457 PolarHBondContact O-N 2.96Å; L412-T457 PolarHBondContact O-OG1 3.32Å
413	D	89.7	Confident	90.2	Very high	89 Å²	89	42.1 Å²	42.1	48%	0.476	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	141.3	175.3	-56.4	-12.5	0	0	0	110.6	A416 A418 Y422	D413-A416 WeakPolarHBondContact CA-O 3.3Å; D413-A416 WeakPolarHBondContact CB-O 3.21Å; D413-A418 VanDerWaalsContact OD1-CB 3.3Å; D413-A418 WeakPolarHBondContact OD1-CB 3.36Å; D413-A418 PolarHBondContact OD1-N 3.38Å; D413-Y422 PolarHBondContact N-OH 2.88Å; D413-Y422 WeakPolarHBondContact OD1-CE1 3.06Å; D413-Y422 PolarHBondContact OD1-OH 3.39Å
414	G	83.9	Confident	90.6	Very high	41 Å²	41	46 Å²	46	42%	0.423	27%	0.27	S	S	.	.	S	Bend	trans	-114.8	-109.3	170.9	0	0	0	0	0	109.1	A416 H455	G414-A416 PolarHBondContact N-O 2.87Å; G414-H455 CarbonylContact C-O 3.58Å; G414-H455 WeakPolarHBondContact CA-O 3.3Å; G414-H455 PolarHBondContact N-O 3.36Å
415	T	82.1	Confident	90.8	Very high	68 Å²	68	46.3 Å²	46.3	42%	0.417	27%	0.271	S	S	.	.	S	Bend	trans	-81.8	-31.7	160.6	50	0	0	0	0	111.4	E454 H455	T415-E454 WeakPolarHBondContact OG1-CA 3.5Å; T415-E454 WeakPolarHBondContact OG1-CB 3.48Å; T415-H455 PolarHBondContact N-O 2.84Å; T415-H455 PolarHBondContact OG1-N 3.44Å; T415-H455 PolarHBondContact OG1-ND1 3.25Å
416	A	87.2	Confident	90.9	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	-75.6	130.2	173.5	0	0	0	0	0	111.3	D413 G414 D421 Y422 E454 H455 F456	D413-A416 WeakPolarHBondContact CA-O 3.3Å; D413-A416 WeakPolarHBondContact CB-O 3.21Å; G414-A416 PolarHBondContact N-O 2.87Å; A416-D421 WeakPolarHBondContact CA-OD2 3.41Å; A416-D421 HydrophobicContact CB-CB 4.06Å; A416-Y422 HydrophobicContact CB-CD1 4.36Å; A416-E454 VanDerWaalsContact CA-OE2 3.24Å; A416-E454 WeakPolarHBondContact CA-OE2 3.42Å; A416-E454 HydrophobicContact CB-CB 3.83Å; A416-H455 PolarHBondContact N-O 3.18Å; A416-F456 HydrophobicContact CB-CB 4.28Å; A416-F456 HydrophobicContact CB-CD1 4.16Å
417	V	86.6	Confident	90.9	Very high	60 Å²	60	56.4 Å²	56.4	36%	0.364	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-98.9	129.7	-175.2	-178.2	0	0	0	0	111	G419 E420 D421	V417-G419 PolarHBondContact O-N 3.11Å; V417-E420 HydrophobicContact CB-CB 4.37Å; V417-E420 PolarHBondContact O-N 3.16Å; V417-D421 WeakPolarHBondContact CA-OD2 3.4Å; V417-D421 PolarHBondContact N-OD2 3.01Å; V417-D421 PolarHBondContact O-N 3.43Å; V417-D421 VanDerWaalsContact O-N 3.07Å
418	A	89.5	Confident	90.9	Very high	36 Å²	36	60.8 Å²	60.8	30%	0.298	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-61.7	124	176.5	0	0	0	0	0	112.5	D413 Y422 P424	D413-A418 VanDerWaalsContact OD1-CB 3.3Å; D413-A418 WeakPolarHBondContact OD1-CB 3.36Å; D413-A418 PolarHBondContact OD1-N 3.38Å; A418-Y422 HydrophobicContact CB-CE1 4Å; A418-P424 HydrophobicContact CB-CB 3.97Å; A418-P424 HydrophobicContact CB-CG 3.93Å
419	G	86.7	Confident	90.9	Very high	55 Å²	55	58.9 Å²	58.9	57%	0.567	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.4	-12.3	178.9	0	0	0	0	0	115	V417 Y422 I445	V417-G419 PolarHBondContact O-N 3.11Å; G419-Y422 PolarHBondContact N-O 2.73Å; G419-I445 WeakPolarHBondContact O-CD1 3.32Å
420	E	86	Confident	90.7	Very high	136 Å²	136	60.6 Å²	60.6	64%	0.636	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-53.6	168.8	-66.4	-179.6	169.6	0	0	108.4	V417 I445	V417-E420 HydrophobicContact CB-CB 4.37Å; V417-E420 PolarHBondContact O-N 3.16Å; E420-I445 VanDerWaalsContact O-CB 3.28Å; E420-I445 WeakPolarHBondContact O-CB 3.38Å; E420-I445 WeakPolarHBondContact O-CD1 3.32Å; E420-I445 WeakPolarHBondContact O-CG2 3.2Å
421	D	87.7	Confident	90.6	Very high	23 Å²	23	58.3 Å²	58.3	12%	0.123	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-25.9	-173.1	-38.2	-55.7	0	0	0	113.1	A416 V417 I444 I445 E454	A416-D421 WeakPolarHBondContact CA-OD2 3.41Å; A416-D421 HydrophobicContact CB-CB 4.06Å; V417-D421 WeakPolarHBondContact CA-OD2 3.4Å; V417-D421 PolarHBondContact N-OD2 3.01Å; V417-D421 PolarHBondContact O-N 3.43Å; V417-D421 VanDerWaalsContact O-N 3.07Å; D421-I444 WeakPolarHBondContact O-CG2 3.3Å; D421-I445 PolarHBondContact O-N 3.34Å; D421-E454 VanDerWaalsContact CG-OE2 3.29Å
422	Y	93.7	Very high	90.4	Very high	1 Å²	1	59.7 Å²	59.7	0%	0.004	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-151.2	156.2	-179.8	81.9	-79.6	0	0	0	114	T411 D413 A416 A418 G419 P424 S443 F456	T411-Y422 HydrophobicContact CG2-CE2 4.01Å; D413-Y422 PolarHBondContact N-OH 2.88Å; D413-Y422 WeakPolarHBondContact OD1-CE1 3.06Å; D413-Y422 PolarHBondContact OD1-OH 3.39Å; A416-Y422 HydrophobicContact CB-CD1 4.36Å; A418-Y422 HydrophobicContact CB-CE1 4Å; G419-Y422 PolarHBondContact N-O 2.73Å; Y422-P424 HydrophobicContact CE2-CB 4.31Å; Y422-S443 WeakPolarHBondContact CA-O 3.49Å; Y422-F456 HydrophobicContact CD1-CB 4.28Å; Y422-F456 AromaticContact CD1-CD1 3.85Å; Y422-F456 HydrophobicContact CD1-CD1 3.85Å; Y422-F456 HydrophobicContact CD1-CE1 4.32Å; Y422-F456 AromaticContact CD1-CG 3.97Å; Y422-F456 HydrophobicContact CD1-CG 3.97Å; Y422-F456 HydrophobicContact CD2-CD1 4.42Å; Y422-F456 HydrophobicContact CD2-CD2 4.03Å; Y422-F456 HydrophobicContact CD2-CE1 4.32Å; Y422-F456 AromaticContact CD2-CE2 3.93Å; Y422-F456 HydrophobicContact CD2-CE2 3.93Å; Y422-F456 HydrophobicContact CD2-CG 4.28Å; Y422-F456 HydrophobicContact CD2-CZ 4.09Å; Y422-F456 HydrophobicContact CE1-CB 3.82Å; Y422-F456 HydrophobicContact CE1-CD1 4.24Å; Y422-F456 HydrophobicContact CE1-CD2 4.35Å; Y422-F456 AromaticContact CE1-CG 3.89Å; Y422-F456 HydrophobicContact CE1-CG 3.89Å; Y422-F456 AromaticContact CE2-CD2 3.83Å; Y422-F456 HydrophobicContact CE2-CD2 3.83Å; Y422-F456 HydrophobicContact CE2-CE2 4.1Å; Y422-F456 HydrophobicContact CE2-CG 4.19Å; Y422-F456 AromaticContact CG-CD1 3.96Å; Y422-F456 HydrophobicContact CG-CD1 3.96Å; Y422-F456 HydrophobicContact CG-CD2 4.37Å; Y422-F456 AromaticContact CG-CE1 3.96Å; Y422-F456 HydrophobicContact CG-CE1 3.96Å; Y422-F456 HydrophobicContact CG-CE2 4.38Å; Y422-F456 HydrophobicContact CG-CG 4.17Å; Y422-F456 HydrophobicContact CG-CZ 4.18Å
423	E	92.6	Very high	90.1	Very high	108 Å²	108	58.6 Å²	58.6	51%	0.505	35%	0.352	S	S	.	.			trans	-85.3	120.7	173.9	-64.9	-174.5	150.3	0	0	111.3	S443	E423-S443 PolarHBondContact N-O 3.48Å; E423-S443 VanDerWaalsContact OE2-CB 3.22Å; E423-S443 WeakPolarHBondContact OE2-CB 3.48Å; E423-S443 PolarHBondContact OE2-OG 3.48Å
424	P	93	Very high	89.9	Confident	83 Å²	83	56.7 Å²	56.7	54%	0.539	35%	0.354	S	S	.	.			trans	-71.9	132.6	-177.7	28.6	-35.6	0	0	0	112.8	T411 A418 Y422	T411-P424 WeakPolarHBondContact OG1-CA 3.22Å; A418-P424 HydrophobicContact CB-CB 3.97Å; A418-P424 HydrophobicContact CB-CG 3.93Å; Y422-P424 HydrophobicContact CE2-CB 4.31Å
425	V	94	Very high	90.2	Very high	38 Å²	38	57.6 Å²	57.6	23%	0.23	35%	0.347	C	S	.	.			trans	-122.8	137	-178	-168.3	0	0	0	0	111.2	Y409 F410 T411	Y409-V425 HydrophobicContact CE2-CG1 3.77Å; F410-V425 WeakPolarHBondContact CA-O 3.26Å; T411-V425 PolarHBondContact N-O 3.4Å; T411-V425 PolarHBondContact OG1-N 3.3Å; T411-V425 VanDerWaalsContact OG1-N 3.15Å; T411-V425 PolarHBondContact OG1-O 3.25Å
426	K	94.5	Very high	90.5	Very high	184 Å²	184	57.5 Å²	57.5	80%	0.8	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.6	138.3	170.7	66.6	-175.9	179.5	-173.4	0	111.2	Y409 F410	Y409-K426 WeakPolarHBondContact O-CA 3.27Å; F410-K426 HydrophobicContact CB-CB 4.09Å
427	G	93.4	Very high	90.8	Very high	29 Å²	29	62.3 Å²	62.3	30%	0.299	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	-172.9	-177.5	0	0	0	0	0	115.4	E408 Y409	E408-G427 WeakPolarHBondContact CA-O 3.41Å; Y409-G427 WeakPolarHBondContact CD1-O 3.36Å; Y409-G427 PolarHBondContact N-O 3.01Å; Y409-G427 PolarHBondContact O-N 3.31Å
428	L	94.4	Very high	91.1	Very high	92 Å²	92	62.2 Å²	62.2	48%	0.482	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	123.5	177.6	-174.2	80.8	0	0	0	109.5	E408	E408-L428 HydrophobicContact CB-CD1 4.48Å; E408-L428 HydrophobicContact CG-CD1 3.59Å
429	L	93.8	Very high	91.3	Very high	12 Å²	12	65.7 Å²	65.7	6%	0.063	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	114.5	170.4	-67.4	177.6	0	0	0	109.6	V394 S406 V407 Y409 F431 K438 I440	V394-L429 HydrophobicContact CB-CD1 4.12Å; V394-L429 HydrophobicContact CG2-CD1 3.73Å; S406-L429 CarbonylContact C-O 3.5Å; S406-L429 WeakPolarHBondContact CA-O 3.3Å; V407-L429 HydrophobicContact CG1-CB 3.82Å; V407-L429 HydrophobicContact CG1-CD1 4.29Å; V407-L429 PolarHBondContact N-O 2.95Å; V407-L429 PolarHBondContact O-N 3.22Å; Y409-L429 HydrophobicContact CD1-CD1 4.25Å; Y409-L429 HydrophobicContact CD1-CD2 4.28Å; Y409-L429 HydrophobicContact CD1-CG 3.66Å; Y409-L429 HydrophobicContact CE1-CD2 3.87Å; Y409-L429 HydrophobicContact CE1-CG 3.75Å; L429-F431 HydrophobicContact CB-CE2 4.16Å; L429-K438 HydrophobicContact CB-CD 4.48Å; L429-K438 HydrophobicContact CD1-CB 4.23Å; L429-K438 HydrophobicContact CD2-CB 4.13Å; L429-K438 HydrophobicContact CD2-CD 4.19Å; L429-I440 HydrophobicContact CD1-CD1 4.03Å; L429-I440 HydrophobicContact CD1-CG1 3.9Å; L429-I440 HydrophobicContact CD2-CG1 4.26Å; L429-I440 HydrophobicContact CG-CG1 4.37Å
430	L	93.3	Very high	91.7	Very high	74 Å²	74	63.1 Å²	63.1	39%	0.387	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	110.3	173.6	-177.7	70.2	0	0	0	110	V404 K438 K466	V404-L430 HydrophobicContact CG1-CD1 3.59Å; V404-L430 HydrophobicContact CG1-CG 4.17Å; L430-K438 WeakPolarHBondContact O-CE 3.43Å; L430-K438 PolarHBondContact O-NZ 3.48Å; L430-K466 HydrophobicContact CD1-CG 4.05Å
431	F	92.9	Very high	92.1	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	112	173.2	-74.3	-100.5	0	0	0	110.5	F374 V394 R396 V404 V405 V407 L429 E435 K438	F374-F431 HydrophobicContact CD1-CD2 4.46Å; F374-F431 HydrophobicContact CD1-CE2 4.27Å; F374-F431 HydrophobicContact CE1-CD1 4.49Å; F374-F431 AromaticContact CE1-CD2 3.95Å; F374-F431 HydrophobicContact CE1-CD2 3.95Å; F374-F431 HydrophobicContact CE1-CE2 4.2Å; F374-F431 HydrophobicContact CE1-CG 4.11Å; V394-F431 HydrophobicContact CB-CZ 4.12Å; V394-F431 HydrophobicContact CG1-CE2 4.26Å; V394-F431 HydrophobicContact CG1-CZ 3.9Å; R396-F431 HydrophobicContact CB-CD1 4.32Å; R396-F431 HydrophobicContact CB-CE1 4.27Å; V404-F431 VanDerWaalsContact CA-O 3.28Å; V404-F431 WeakPolarHBondContact CA-O 3.33Å; V404-F431 WeakPolarHBondContact CG1-O 3.43Å; V405-F431 PolarHBondContact N-O 3.07Å; V405-F431 WeakPolarHBondContact O-CB 3.13Å; V405-F431 PolarHBondContact O-N 2.92Å; V407-F431 HydrophobicContact CG1-CD2 4.46Å; V407-F431 HydrophobicContact CG1-CE2 3.94Å; L429-F431 HydrophobicContact CB-CE2 4.16Å; F431-E435 WeakPolarHBondContact CA-OE2 3.45Å; F431-E435 HydrophobicContact CD1-CB 4.27Å; F431-K438 HydrophobicContact CD1-CG 4.27Å; F431-K438 HydrophobicContact CE1-CB 4.12Å; F431-K438 HydrophobicContact CE1-CG 3.99Å; F431-K438 HydrophobicContact CE2-CB 4.36Å; F431-K438 HydrophobicContact CE2-CG 4.47Å; F431-K438 HydrophobicContact CZ-CB 3.84Å; F431-K438 HydrophobicContact CZ-CG 4.09Å
432	S	90.4	Very high	92.5	Very high	45 Å²	45	60.6 Å²	60.6	32%	0.315	34%	0.335	S	S	.	.			trans	-74.1	169.2	174.6	-43	0	0	0	0	111.5	R396 G434 E435	R396-S432 PolarHBondContact NH2-O 3.26Å; S432-G434 PolarHBondContact O-N 2.73Å; S432-E435 VanDerWaalsContact CB-CD 3.44Å; S432-E435 VanDerWaalsContact CB-OE1 3.28Å; S432-E435 WeakPolarHBondContact CB-OE1 3.44Å; S432-E435 VanDerWaalsContact N-CD 3.34Å; S432-E435 PolarHBondContact N-OE2 3.17Å; S432-E435 PolarHBondContact O-N 2.93Å; S432-E435 VanDerWaalsContact O-N 3.15Å; S432-E435 PolarHBondContact OG-OE1 3Å
433	A	87.2	Confident	92.5	Very high	57 Å²	57	61.8 Å²	61.8	47%	0.471	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	126	173.6	0	0	0	0	0	110.9	H402 E435	H402-A433 WeakPolarHBondContact O-CB 3.48Å; A433-E435 PolarHBondContact O-N 3.06Å
434	G	84.4	Confident	92.4	Very high	49 Å²	49	57.2 Å²	57.2	51%	0.505	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	-9.3	179.3	0	0	0	0	0	116.4	M401 S432 T436	M401-G434 PolarHBondContact O-N 3.13Å; S432-G434 PolarHBondContact O-N 2.73Å; G434-T436 PolarHBondContact O-N 3.46Å
435	E	90.3	Very high	92.3	Very high	60 Å²	60	56.3 Å²	56.3	28%	0.28	31%	0.312	S	S	.	.			trans	-73.3	117.8	178.6	-69.2	177.7	-179.4	0	0	111.5	R396 F431 S432 A433 K438	R396-E435 PolarHBondContact NE-O 2.95Å; R396-E435 PolarHBondContact NH2-O 3.46Å; F431-E435 WeakPolarHBondContact CA-OE2 3.45Å; F431-E435 HydrophobicContact CD1-CB 4.27Å; S432-E435 VanDerWaalsContact CB-CD 3.44Å; S432-E435 VanDerWaalsContact CB-OE1 3.28Å; S432-E435 WeakPolarHBondContact CB-OE1 3.44Å; S432-E435 VanDerWaalsContact N-CD 3.34Å; S432-E435 PolarHBondContact N-OE2 3.17Å; S432-E435 PolarHBondContact O-N 2.93Å; S432-E435 VanDerWaalsContact O-N 3.15Å; S432-E435 PolarHBondContact OG-OE1 3Å; A433-E435 PolarHBondContact O-N 3.06Å; E435-K438 WeakPolarHBondContact OE2-CE 3.48Å; E435-K438 IonicContact OE2-NZ 3.65Å; E435-K438 PolarHBondContact OE2-NZ 2.94Å
436	T	88.9	Confident	91.7	Very high	66 Å²	66	58.9 Å²	58.9	41%	0.405	33%	0.325	S	S	.	.			trans	-92.3	-17.3	-178.1	58.4	0	0	0	0	113.2	T395 R396 M401 G434	T395-T436 WeakPolarHBondContact CA-O 3.31Å; R396-T436 PolarHBondContact N-O 3.41Å; M401-T436 HydrophobicContact CE-CG2 3.8Å; G434-T436 PolarHBondContact O-N 3.46Å
437	H	92.5	Very high	90.9	Very high	101 Å²	101	53.1 Å²	53.1	47%	0.468	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	156.4	-179.9	60.1	-78	0	0	0	111.8	T393 V394	T393-H437 HydrophobicContact CG2-CB 3.97Å; V394-H437 CarbonylContact O-C 3.6Å; V394-H437 WeakPolarHBondContact O-CA 3.5Å
438	K	94.2	Very high	90	Very high	58 Å²	58	58.7 Å²	58.7	25%	0.252	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	156.1	169.2	-79.2	-147.7	170.5	-167.3	0	111.4	T393 V394 L429 L430 F431 E435	T393-K438 CarbonylContact C-O 3.5Å; T393-K438 WeakPolarHBondContact CA-O 3.07Å; V394-K438 PolarHBondContact N-O 2.94Å; V394-K438 PolarHBondContact O-N 3.23Å; L429-K438 HydrophobicContact CB-CD 4.48Å; L429-K438 HydrophobicContact CD1-CB 4.23Å; L429-K438 HydrophobicContact CD2-CB 4.13Å; L429-K438 HydrophobicContact CD2-CD 4.19Å; L430-K438 WeakPolarHBondContact O-CE 3.43Å; L430-K438 PolarHBondContact O-NZ 3.48Å; F431-K438 HydrophobicContact CD1-CG 4.27Å; F431-K438 HydrophobicContact CE1-CB 4.12Å; F431-K438 HydrophobicContact CE1-CG 3.99Å; F431-K438 HydrophobicContact CE2-CB 4.36Å; F431-K438 HydrophobicContact CE2-CG 4.47Å; F431-K438 HydrophobicContact CZ-CB 3.84Å; F431-K438 HydrophobicContact CZ-CG 4.09Å; E435-K438 WeakPolarHBondContact OE2-CE 3.48Å; E435-K438 IonicContact OE2-NZ 3.65Å; E435-K438 PolarHBondContact OE2-NZ 2.94Å
439	Q	94.1	Very high	88.9	Confident	108 Å²	108	59.4 Å²	59.4	51%	0.505	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	142.9	-177.4	-68.3	177.6	-19.2	0	0	111.8	P391 V392	P391-Q439 HydrophobicContact CB-CB 4.11Å; P391-Q439 HydrophobicContact CB-CG 4.15Å; V392-Q439 CarbonylContact O-C 3.5Å; V392-Q439 VanDerWaalsContact O-CA 3.26Å; V392-Q439 WeakPolarHBondContact O-CA 3.42Å
440	I	94.8	Very high	87.7	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.01	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.2	172	-59.5	162.2	0	0	0	106.5	F376 P391 V392 V394 Y409 L429 I442 V458	F376-I440 HydrophobicContact CE1-CD1 4.25Å; P391-I440 CarbonylContact C-O 3.54Å; P391-I440 WeakPolarHBondContact CA-O 3.36Å; V392-I440 HydrophobicContact CB-CB 4.37Å; V392-I440 PolarHBondContact N-O 3.45Å; V392-I440 PolarHBondContact O-N 3.05Å; V394-I440 HydrophobicContact CG2-CD1 4.16Å; Y409-I440 HydrophobicContact CD1-CD1 4.09Å; Y409-I440 HydrophobicContact CD1-CG1 4.18Å; Y409-I440 HydrophobicContact CD2-CB 4.46Å; Y409-I440 HydrophobicContact CD2-CD1 3.62Å; Y409-I440 HydrophobicContact CD2-CG1 3.91Å; Y409-I440 HydrophobicContact CD2-CG2 3.7Å; Y409-I440 HydrophobicContact CE1-CG1 4.21Å; Y409-I440 HydrophobicContact CE2-CB 4.25Å; Y409-I440 HydrophobicContact CE2-CD1 4.2Å; Y409-I440 HydrophobicContact CE2-CG1 3.96Å; Y409-I440 HydrophobicContact CE2-CG2 3.33Å; Y409-I440 HydrophobicContact CG-CD1 3.54Å; Y409-I440 HydrophobicContact CG-CG1 4.01Å; L429-I440 HydrophobicContact CD1-CD1 4.03Å; L429-I440 HydrophobicContact CD1-CG1 3.9Å; L429-I440 HydrophobicContact CD2-CG1 4.26Å; L429-I440 HydrophobicContact CG-CG1 4.37Å; I440-I442 HydrophobicContact CG2-CG1 4.1Å; I440-V458 HydrophobicContact CD1-CG1 4.08Å
441	M	95	Very high	86.8	Confident	106 Å²	106	63.3 Å²	63.3	52%	0.522	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	126.9	177.5	-59.1	-59.6	-68.4	0	0	109.4	T389 P391	T389-M441 HydrophobicContact CG2-CB 4.11Å; T389-M441 HydrophobicContact CG2-CE 3.87Å; P391-M441 HydrophobicContact CB-SD 3.87Å
442	I	94.7	Very high	85.8	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	134.6	179.3	-54	179.3	0	0	0	108.6	T389 F390 V392 I440 F456 V458	T389-I442 CarbonylContact C-O 3.5Å; T389-I442 VanDerWaalsContact CA-O 3.28Å; T389-I442 WeakPolarHBondContact CA-O 3.34Å; T389-I442 WeakPolarHBondContact CG2-O 3.28Å; F390-I442 HydrophobicContact CE1-CB 4.03Å; F390-I442 HydrophobicContact CE1-CG2 4.23Å; F390-I442 HydrophobicContact CZ-CB 4.21Å; F390-I442 HydrophobicContact CZ-CD1 4.5Å; F390-I442 PolarHBondContact N-O 2.93Å; F390-I442 PolarHBondContact O-N 3.16Å; V392-I442 HydrophobicContact CB-CD1 4.34Å; V392-I442 HydrophobicContact CG2-CD1 3.6Å; V392-I442 HydrophobicContact CG2-CG1 4.38Å; I440-I442 HydrophobicContact CG2-CG1 4.1Å; I442-F456 HydrophobicContact CD1-CE2 4.2Å; I442-F456 HydrophobicContact CG2-CE2 3.98Å; I442-F456 HydrophobicContact CG2-CZ 3.73Å; I442-V458 HydrophobicContact CD1-CG2 3.38Å
443	S	93.1	Very high	85.3	Confident	25 Å²	25	73.7 Å²	73.7	18%	0.175	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	134.9	177.3	-47.1	0	0	0	0	110.8	G388 T389 Y422 E423	G388-S443 CarbonylContact O-C 3.55Å; G388-S443 VanDerWaalsContact O-CA 3.32Å; G388-S443 WeakPolarHBondContact O-CA 3.38Å; T389-S443 PolarHBondContact OG1-OG 3.16Å; Y422-S443 WeakPolarHBondContact CA-O 3.49Å; E423-S443 PolarHBondContact N-O 3.48Å; E423-S443 VanDerWaalsContact OE2-CB 3.22Å; E423-S443 WeakPolarHBondContact OE2-CB 3.48Å; E423-S443 PolarHBondContact OE2-OG 3.48Å
444	I	92.2	Very high	85.2	Confident	12 Å²	12	73.1 Å²	73.1	6%	0.062	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-103.6	145.7	171.9	-54.6	-56.4	0	0	0	108.4	V383 E385 V387 G388 F390 D421 F456 V486	V383-I444 HydrophobicContact CG2-CD1 4.35Å; V383-I444 HydrophobicContact CG2-CG1 4.08Å; E385-I444 HydrophobicContact CG-CG2 4.48Å; E385-I444 VanDerWaalsContact O-CG2 3.31Å; E385-I444 WeakPolarHBondContact O-CG2 3.37Å; V387-I444 HydrophobicContact CG1-CB 3.93Å; V387-I444 HydrophobicContact CG1-CG1 3.64Å; G388-I444 PolarHBondContact O-N 3.04Å; F390-I444 HydrophobicContact CD1-CG1 4.2Å; F390-I444 HydrophobicContact CE1-CD1 3.94Å; F390-I444 HydrophobicContact CE1-CG1 3.85Å; D421-I444 WeakPolarHBondContact O-CG2 3.3Å; I444-F456 HydrophobicContact CD1-CE1 3.65Å; I444-F456 HydrophobicContact CD1-CZ 3.93Å; I444-V486 HydrophobicContact CD1-CG2 4.05Å; I444-V486 HydrophobicContact CG2-CG1 4.04Å
445	I	89.2	Confident	85.3	Confident	64 Å²	64	74.4 Å²	74.4	33%	0.328	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-99	139	177.7	-59.8	169.7	0	0	0	107.4	E385 G419 E420 D421	E385-I445 WeakPolarHBondContact CG-O 3.15Å; G419-I445 WeakPolarHBondContact O-CD1 3.32Å; E420-I445 VanDerWaalsContact O-CB 3.28Å; E420-I445 WeakPolarHBondContact O-CB 3.38Å; E420-I445 WeakPolarHBondContact O-CD1 3.32Å; E420-I445 WeakPolarHBondContact O-CG2 3.2Å; D421-I445 PolarHBondContact O-N 3.34Å
446	D	82.7	Confident	85.5	Confident	92 Å²	92	71.5 Å²	71.5	49%	0.492	36%	0.357	S	S	.	.			trans	-121	128	-170.2	-176.9	49.3	0	0	0	110.6	E385 N386	E385-D446 WeakPolarHBondContact OE1-CA 3.35Å; N386-D446 WeakPolarHBondContact CA-OD1 3.26Å; N386-D446 WeakPolarHBondContact CB-OD1 3.48Å; N386-D446 PolarHBondContact N-OD1 3.06Å
447	D	78.3	Confident	85.6	Confident	63 Å²	63	69.5 Å²	69.5	34%	0.337	34%	0.344	S	S	.	.			trans	-126.7	-164.7	173.2	86.5	39.1	0	0	0	114.8	E385 I449	E385-D447 PolarHBondContact OE1-N 3.23Å; D447-I449 WeakPolarHBondContact OD1-CB 3.38Å; D447-I449 PolarHBondContact OD1-N 2.62Å
448	D	72.7	Confident	85.7	Confident	146 Å²	146	64.7 Å²	64.7	78%	0.781	32%	0.322	S	S	*	.	S	Bend	trans	-127.7	22.7	-173.1	-75.1	-55.9	0	0	0	111	D490	D448-D490 VanDerWaalsContact CA-OD2 3.26Å; D448-D490 WeakPolarHBondContact CA-OD2 3.27Å
449	I	72.9	Confident	85.7	Confident	107 Å²	107	64.2 Å²	64.2	55%	0.549	32%	0.321	S	S	.	.	S	Bend	trans	-116.1	127.1	-178.2	-58.9	175.8	0	0	0	108.5	D447 E451 D490	D447-I449 WeakPolarHBondContact OD1-CB 3.38Å; D447-I449 PolarHBondContact OD1-N 2.62Å; I449-E451 WeakPolarHBondContact O-CG 3.21Å; I449-E451 PolarHBondContact O-N 3.17Å; I449-E451 VanDerWaalsContact O-N 3.13Å; I449-D490 PolarHBondContact N-OD2 2.87Å
450	F	68.9	Low	85.7	Confident	105 Å²	105	59.5 Å²	59.5	46%	0.461	30%	0.299	S	S	.	.			trans	-60.5	116.1	172	176.2	-99	0	0	0	112.1	D488 D490 H491 S519	F450-D488 WeakPolarHBondContact CA-OD1 3.45Å; F450-D488 WeakPolarHBondContact CD2-OD2 3.38Å; F450-D490 HydrophobicContact CB-CB 4.3Å; F450-H491 HydrophobicContact CD2-CB 3.65Å; F450-H491 HydrophobicContact CE2-CB 3.73Å; F450-S519 WeakPolarHBondContact CE2-O 3.31Å
451	E	72.6	Confident	85.6	Confident	64 Å²	64	64.4 Å²	64.4	30%	0.299	32%	0.318	S	S	.	.			trans	-114.4	172.4	175.6	-61.4	-167.7	170.2	0	0	112	I449 D488	I449-E451 WeakPolarHBondContact O-CG 3.21Å; I449-E451 PolarHBondContact O-N 3.17Å; I449-E451 VanDerWaalsContact O-N 3.13Å; E451-D488 PolarHBondContact N-OD1 3.34Å
452	E	73.1	Confident	85.2	Confident	165 Å²	165	63.7 Å²	63.7	77%	0.771	32%	0.316	S	S	*	.			trans	-85.2	147	172.6	-67.3	-173.3	169.1	0	0	109.3	E454	E452-E454 WeakPolarHBondContact O-CG 3.48Å; E452-E454 PolarHBondContact O-N 3.44Å
453	D	79	Confident	85	Confident	97 Å²	97	65.6 Å²	65.6	52%	0.519	33%	0.326	S	S	.	.			trans	-54.9	128.7	177.3	-64.8	-30.2	0	0	0	111.8	L487 D488	D453-L487 HydrophobicContact CB-CD2 4.14Å; D453-L487 VanDerWaalsContact CG-CD2 3.48Å; D453-L487 WeakPolarHBondContact OD1-CD2 3.35Å; D453-D488 PolarHBondContact OD1-N 3.47Å
454	E	85.6	Confident	84.7	Confident	46 Å²	46	69 Å²	69	22%	0.215	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	167.1	-174.7	-52.3	-157.1	132.3	0	0	113.3	T415 A416 D421 E452 M485 V486	T415-E454 WeakPolarHBondContact OG1-CA 3.5Å; T415-E454 WeakPolarHBondContact OG1-CB 3.48Å; A416-E454 VanDerWaalsContact CA-OE2 3.24Å; A416-E454 WeakPolarHBondContact CA-OE2 3.42Å; A416-E454 HydrophobicContact CB-CB 3.83Å; D421-E454 VanDerWaalsContact CG-OE2 3.29Å; E452-E454 WeakPolarHBondContact O-CG 3.48Å; E452-E454 PolarHBondContact O-N 3.44Å; E454-M485 CarbonylContact O-C 3.57Å; E454-M485 WeakPolarHBondContact O-CA 3.44Å; E454-V486 PolarHBondContact N-O 3.13Å; E454-V486 PolarHBondContact O-N 3.28Å
455	H	86.8	Confident	84.4	Confident	75 Å²	75	71 Å²	71	35%	0.347	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	152.5	177.5	70.3	-71	0	0	0	112.9	G414 T415 A416 T483 I484	G414-H455 CarbonylContact C-O 3.58Å; G414-H455 WeakPolarHBondContact CA-O 3.3Å; G414-H455 PolarHBondContact N-O 3.36Å; T415-H455 PolarHBondContact N-O 2.84Å; T415-H455 PolarHBondContact OG1-N 3.44Å; T415-H455 PolarHBondContact OG1-ND1 3.25Å; A416-H455 PolarHBondContact N-O 3.18Å; H455-T483 HydrophobicContact CB-CG2 4.38Å; H455-I484 CarbonylContact C-O 3.54Å; H455-I484 WeakPolarHBondContact CA-O 3.49Å; H455-I484 VanDerWaalsContact CB-O 3.28Å; H455-I484 WeakPolarHBondContact CB-O 3.04Å
456	F	93.3	Very high	84.2	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	173.7	166.8	67.8	-84.9	0	0	0	109.5	T411 L412 A416 Y422 I442 I444 V458 I484 V486	T411-F456 HydrophobicContact CG2-CD2 4.41Å; T411-F456 HydrophobicContact CG2-CE2 4.26Å; L412-F456 WeakPolarHBondContact O-CB 3.49Å; A416-F456 HydrophobicContact CB-CB 4.28Å; A416-F456 HydrophobicContact CB-CD1 4.16Å; Y422-F456 HydrophobicContact CD1-CB 4.28Å; Y422-F456 AromaticContact CD1-CD1 3.85Å; Y422-F456 HydrophobicContact CD1-CD1 3.85Å; Y422-F456 HydrophobicContact CD1-CE1 4.32Å; Y422-F456 AromaticContact CD1-CG 3.97Å; Y422-F456 HydrophobicContact CD1-CG 3.97Å; Y422-F456 HydrophobicContact CD2-CD1 4.42Å; Y422-F456 HydrophobicContact CD2-CD2 4.03Å; Y422-F456 HydrophobicContact CD2-CE1 4.32Å; Y422-F456 AromaticContact CD2-CE2 3.93Å; Y422-F456 HydrophobicContact CD2-CE2 3.93Å; Y422-F456 HydrophobicContact CD2-CG 4.28Å; Y422-F456 HydrophobicContact CD2-CZ 4.09Å; Y422-F456 HydrophobicContact CE1-CB 3.82Å; Y422-F456 HydrophobicContact CE1-CD1 4.24Å; Y422-F456 HydrophobicContact CE1-CD2 4.35Å; Y422-F456 AromaticContact CE1-CG 3.89Å; Y422-F456 HydrophobicContact CE1-CG 3.89Å; Y422-F456 AromaticContact CE2-CD2 3.83Å; Y422-F456 HydrophobicContact CE2-CD2 3.83Å; Y422-F456 HydrophobicContact CE2-CE2 4.1Å; Y422-F456 HydrophobicContact CE2-CG 4.19Å; Y422-F456 AromaticContact CG-CD1 3.96Å; Y422-F456 HydrophobicContact CG-CD1 3.96Å; Y422-F456 HydrophobicContact CG-CD2 4.37Å; Y422-F456 AromaticContact CG-CE1 3.96Å; Y422-F456 HydrophobicContact CG-CE1 3.96Å; Y422-F456 HydrophobicContact CG-CE2 4.38Å; Y422-F456 HydrophobicContact CG-CG 4.17Å; Y422-F456 HydrophobicContact CG-CZ 4.18Å; I442-F456 HydrophobicContact CD1-CE2 4.2Å; I442-F456 HydrophobicContact CG2-CE2 3.98Å; I442-F456 HydrophobicContact CG2-CZ 3.73Å; I444-F456 HydrophobicContact CD1-CE1 3.65Å; I444-F456 HydrophobicContact CD1-CZ 3.93Å; F456-V458 HydrophobicContact CE2-CG2 4.37Å; F456-I484 HydrophobicContact CD1-CB 4.18Å; F456-I484 HydrophobicContact CD1-CG2 4.28Å; F456-I484 HydrophobicContact CD2-CB 4.41Å; F456-I484 HydrophobicContact CE1-CB 3.74Å; F456-I484 HydrophobicContact CE1-CG1 4.44Å; F456-I484 HydrophobicContact CE1-CG2 3.49Å; F456-I484 VanDerWaalsContact CE1-CG2 3.49Å; F456-I484 HydrophobicContact CE2-CB 3.99Å; F456-I484 HydrophobicContact CE2-CD1 4.2Å; F456-I484 HydrophobicContact CE2-CG1 3.92Å; F456-I484 HydrophobicContact CE2-CG2 4.43Å; F456-I484 HydrophobicContact CG-CB 4.49Å; F456-I484 HydrophobicContact CZ-CB 3.63Å; F456-I484 HydrophobicContact CZ-CG1 3.82Å; F456-I484 HydrophobicContact CZ-CG2 3.58Å; F456-I484 PolarHBondContact N-O 3.47Å; F456-I484 PolarHBondContact O-N 3.42Å; F456-V486 HydrophobicContact CD1-CG2 4.25Å; F456-V486 HydrophobicContact CE1-CG2 3.96Å
457	T	91.9	Very high	84.1	Confident	23 Å²	23	74.6 Å²	74.6	14%	0.141	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	146.1	-172.1	52.8	0	0	0	0	112.8	T411 L412 H459 V481 A482 T483	T411-T457 CarbonylContact C-O 3.59Å; T411-T457 VanDerWaalsContact CA-O 3.31Å; T411-T457 WeakPolarHBondContact CA-O 3.45Å; L412-T457 PolarHBondContact N-O 2.92Å; L412-T457 PolarHBondContact O-N 2.96Å; L412-T457 PolarHBondContact O-OG1 3.32Å; T457-H459 PolarHBondContact OG1-CE1 3.39Å; T457-V481 HydrophobicContact CG2-CG1 4.09Å; T457-A482 CarbonylContact C-O 3.51Å; T457-A482 WeakPolarHBondContact CA-O 3.4Å; T457-T483 HydrophobicContact CG2-CG2 4.44Å
458	V	94.7	Very high	84.2	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.3	174.2	-172.8	0	0	0	0	108.5	F376 T411 I440 I442 F456 V481 A482 I484	F376-V458 HydrophobicContact CE1-CG1 4.23Å; F376-V458 WeakPolarHBondContact CE2-O 3.38Å; F376-V458 HydrophobicContact CZ-CB 4.07Å; F376-V458 HydrophobicContact CZ-CG1 3.79Å; F376-V458 WeakPolarHBondContact CZ-O 3.37Å; T411-V458 HydrophobicContact CG2-CG2 4.09Å; I440-V458 HydrophobicContact CD1-CG1 4.08Å; I442-V458 HydrophobicContact CD1-CG2 3.38Å; F456-V458 HydrophobicContact CE2-CG2 4.37Å; V458-V481 WeakPolarHBondContact O-CA 3.34Å; V458-A482 HydrophobicContact CB-CB 4.39Å; V458-A482 PolarHBondContact N-O 2.95Å; V458-A482 PolarHBondContact O-N 3.27Å; V458-I484 HydrophobicContact CB-CD1 4.31Å; V458-I484 HydrophobicContact CG2-CD1 3.51Å
459	H	94.5	Very high	84.3	Confident	48 Å²	48	71.3 Å²	71.3	22%	0.222	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	139.4	-174.2	-73.3	73.8	0	0	0	111.4	Y409 F410 T457 V481	Y409-H459 VanDerWaalsContact CA-O 3.24Å; Y409-H459 WeakPolarHBondContact CA-O 3.18Å; F410-H459 HydrophobicContact CD1-CB 4.16Å; F410-H459 HydrophobicContact CE1-CB 3.53Å; F410-H459 HydrophobicContact CE2-CB 4.23Å; F410-H459 HydrophobicContact CZ-CB 3.59Å; F410-H459 PolarHBondContact N-O 3.15Å; F410-H459 PolarHBondContact O-N 3.24Å; T457-H459 PolarHBondContact OG1-CE1 3.39Å; H459-V481 VanDerWaalsContact CD2-CG2 3.41Å; H459-V481 WeakPolarHBondContact CD2-CG2 3.39Å
460	L	93.1	Very high	84.4	Confident	10 Å²	10	69.6 Å²	69.6	5%	0.052	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132.4	166.1	-61.8	174.1	0	0	0	110.1	F376 V394 V407 E408 L476 M480	F376-L460 HydrophobicContact CD2-CD1 4.05Å; F376-L460 HydrophobicContact CD2-CG 4.23Å; F376-L460 HydrophobicContact CE1-CD1 4.36Å; F376-L460 HydrophobicContact CE1-CD2 4.24Å; F376-L460 HydrophobicContact CE1-CG 4.21Å; F376-L460 HydrophobicContact CE2-CB 4.46Å; F376-L460 HydrophobicContact CE2-CD1 3.85Å; F376-L460 HydrophobicContact CE2-CD2 4.33Å; F376-L460 HydrophobicContact CE2-CG 3.52Å; F376-L460 HydrophobicContact CG-CD1 4.42Å; F376-L460 HydrophobicContact CZ-CD1 4Å; F376-L460 HydrophobicContact CZ-CD2 3.79Å; F376-L460 HydrophobicContact CZ-CG 3.5Å; F376-L460 VanDerWaalsContact CZ-CG 3.5Å; V394-L460 HydrophobicContact CB-CD1 4.48Å; V394-L460 HydrophobicContact CG1-CD1 3.65Å; V394-L460 HydrophobicContact CG1-CD2 4.41Å; V394-L460 HydrophobicContact CG2-CD1 4.02Å; V394-L460 HydrophobicContact CG2-CD2 3.81Å; V394-L460 HydrophobicContact CG2-CG 4.46Å; V407-L460 HydrophobicContact CG1-CD2 4.31Å; V407-L460 HydrophobicContact CG2-CB 3.88Å; V407-L460 HydrophobicContact CG2-CD2 3.99Å; V407-L460 HydrophobicContact CG2-CG 4.37Å; E408-L460 WeakPolarHBondContact O-CA 3.39Å; L460-L476 HydrophobicContact CB-CD1 4.49Å; L460-L476 HydrophobicContact CB-CD2 3.77Å; L460-L476 HydrophobicContact CD1-CD2 4.18Å; L460-L476 WeakPolarHBondContact O-CD1 3.49Å; L460-M480 PolarHBondContact N-O 3.13Å
461	R	92.5	Very high	84.7	Confident	105 Å²	105	73.4 Å²	73.4	40%	0.396	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	166.6	173.4	66.3	178	176.7	78.2	14.5	111.7	E408 F410	E408-R461 HydrophobicContact CB-CG 4.07Å; E408-R461 WeakPolarHBondContact CB-O 3.23Å; E408-R461 PolarHBondContact N-O 3.02Å; E408-R461 PolarHBondContact O-N 2.94Å; E408-R461 IonicContact OE2-CZ 3.78Å; E408-R461 IonicContact OE2-NH1 3.41Å; E408-R461 PolarHBondContact OE2-NH1 3.31Å; E408-R461 IonicContact OE2-NH2 2.66Å; E408-R461 PolarHBondContact OE2-NH2 3.2Å; F410-R461 HydrophobicContact CD1-CG 4.21Å; F410-R461 HydrophobicContact CE1-CB 4.45Å; F410-R461 HydrophobicContact CE1-CG 3.73Å; F410-R461 VanDerWaalsContact CE1-NE 3.32Å
462	N	87.5	Confident	85.1	Confident	90 Å²	90	71.4 Å²	71.4	48%	0.481	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	52	69.8	174.5	-68.2	-4.9	0	0	0	113.7	E408 E464	E408-N462 HydrophobicContact CB-CB 4.5Å; E408-N462 HydrophobicContact CG-CB 4.23Å; E408-N462 WeakPolarHBondContact OE1-CB 3.41Å; E408-N462 PolarHBondContact OE1-ND2 3.08Å; N462-E464 PolarHBondContact O-N 3.07Å
463	L	90	Very high	85.6	Confident	40 Å²	40	67.9 Å²	67.9	21%	0.209	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	119.6	164.9	-82.1	161.9	0	0	0	109.4	F374 V405 S406 V407 P474 L476	F374-L463 HydrophobicContact CB-CD1 4.4Å; F374-L463 HydrophobicContact CB-CD2 4.15Å; F374-L463 HydrophobicContact CD1-CD2 4.11Å; F374-L463 HydrophobicContact CD2-CD1 4.13Å; F374-L463 HydrophobicContact CD2-CD2 3.55Å; F374-L463 HydrophobicContact CE1-CD2 4.38Å; F374-L463 HydrophobicContact CE2-CD2 3.88Å; F374-L463 HydrophobicContact CG-CD2 3.68Å; F374-L463 HydrophobicContact CZ-CD2 4.28Å; V405-L463 HydrophobicContact CG1-CD2 3.67Å; S406-L463 WeakPolarHBondContact O-CA 3.17Å; V407-L463 HydrophobicContact CB-CD2 4.06Å; V407-L463 HydrophobicContact CG2-CD2 4.3Å; V407-L463 HydrophobicContact CG2-CG 4.4Å; L463-P474 HydrophobicContact CB-CB 4.44Å; L463-P474 HydrophobicContact CB-CG 4.47Å; L463-P474 HydrophobicContact CD1-CB 4.28Å; L463-P474 HydrophobicContact CD2-CB 4.39Å; L463-L476 HydrophobicContact CD1-CB 4.31Å; L463-L476 HydrophobicContact CD1-CD2 3.85Å; L463-L476 HydrophobicContact CD1-CG 3.55Å; L463-L476 HydrophobicContact CG-CD2 4.24Å; L463-L476 HydrophobicContact CG-CG 4.19Å
464	E	87.1	Confident	85.9	Confident	97 Å²	97	64.9 Å²	64.9	45%	0.453	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	123.1	177.8	-164.8	-168.6	150.5	0	0	109.9	V405 S406 N462 K466	V405-E464 CarbonylContact C-O 3.53Å; V405-E464 WeakPolarHBondContact CA-O 3.2Å; S406-E464 PolarHBondContact N-O 3.07Å; S406-E464 PolarHBondContact O-N 3.39Å; S406-E464 PolarHBondContact OG-O 2.98Å; N462-E464 PolarHBondContact O-N 3.07Å; E464-K466 PolarHBondContact O-N 2.86Å; E464-K466 IonicContact OE1-NZ 3.18Å; E464-K466 PolarHBondContact OE1-NZ 3.39Å; E464-K466 WeakPolarHBondContact OE2-CE 3.48Å; E464-K466 IonicContact OE2-NZ 3.63Å; E464-K466 PolarHBondContact OE2-NZ 3.42Å
465	V	86.5	Confident	86.1	Confident	54 Å²	54	65.7 Å²	65.7	33%	0.327	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	112.8	173.5	-174.8	0	0	0	0	108.4	V405 P474	V405-V465 HydrophobicContact CG2-CG2 4.4Å; V465-P474 HydrophobicContact CG2-CG 3.62Å
466	K	85.1	Confident	86.2	Confident	99 Å²	99	64.5 Å²	64.5	43%	0.43	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-36.9	178.4	-63.3	-66.8	175.7	-173.5	0	112	V404 S406 L430 E464	V404-K466 HydrophobicContact CB-CB 4.4Å; V404-K466 HydrophobicContact CG1-CB 4.06Å; V404-K466 PolarHBondContact O-N 2.7Å; S406-K466 WeakPolarHBondContact OG-CE 3.26Å; L430-K466 HydrophobicContact CD1-CG 4.05Å; E464-K466 PolarHBondContact O-N 2.86Å; E464-K466 IonicContact OE1-NZ 3.18Å; E464-K466 PolarHBondContact OE1-NZ 3.39Å; E464-K466 WeakPolarHBondContact OE2-CE 3.48Å; E464-K466 IonicContact OE2-NZ 3.63Å; E464-K466 PolarHBondContact OE2-NZ 3.42Å
467	H	81.1	Confident	85.9	Confident	133 Å²	133	66.3 Å²	66.3	62%	0.616	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.8	126.9	178.1	-170	69.7	0	0	0	110.7	A403 V404	A403-H467 CarbonylContact C-O 3.57Å; A403-H467 WeakPolarHBondContact CA-O 3.48Å; V404-H467 HydrophobicContact CB-CB 4.06Å; V404-H467 HydrophobicContact CG2-CB 4.17Å; V404-H467 PolarHBondContact N-O 3.04Å; V404-H467 PolarHBondContact O-N 3.47Å
468	S	78.8	Confident	85.2	Confident	39 Å²	39	71.2 Å²	71.2	27%	0.273	37%	0.367	S	S	.	.			trans	-147.1	139.2	173.5	-177.5	0	0	0	0	110.8	T470 I472	S468-T470 PolarHBondContact OG-N 3.14Å; S468-T470 PolarHBondContact OG-O 3.39Å; S468-I472 WeakPolarHBondContact OG-CD1 3.38Å
469	S	75.9	Confident	84.4	Confident	101 Å²	101	73.3 Å²	73.3	71%	0.706	38%	0.381	S	S	*	.	S	Bend	trans	-83.8	-21.1	171.4	52.9	0	0	0	0	112.6
470	T	75.1	Confident	84	Confident	71 Å²	71	75.5 Å²	75.5	44%	0.436	39%	0.392	S	S	.	.	S	Bend	trans	-121	157.3	-176	59.2	0	0	0	0	111.4	D400 S468 I472	D400-T470 PolarHBondContact OD2-OG1 3.09Å; S468-T470 PolarHBondContact OG-N 3.14Å; S468-T470 PolarHBondContact OG-O 3.39Å; T470-I472 PolarHBondContact O-N 3.39Å; T470-I472 VanDerWaalsContact O-N 3.16Å; T470-I472 WeakPolarHBondContact OG1-CG1 3.31Å
471	K	75.9	Confident	83.8	Confident	185 Å²	185	76.9 Å²	76.9	80%	0.804	40%	0.401	S	S	*	.			trans	-71.6	110.1	171.5	-171.6	-177	178.3	-166.8	0	107.9
472	I	79.8	Confident	83.7	Confident	21 Å²	21	71.9 Å²	71.9	11%	0.108	38%	0.382	C	S	.	.			trans	-117.5	142	-178.7	-61.2	169.2	0	0	0	108.4	Q372 D400 A403 S468 T470 P474	Q372-I472 HydrophobicContact CB-CG2 4.05Å; Q372-I472 VanDerWaalsContact CD-CG2 3.47Å; Q372-I472 HydrophobicContact CG-CG2 3.54Å; D400-I472 HydrophobicContact CB-CD1 3.73Å; D400-I472 HydrophobicContact CB-CG1 4.19Å; A403-I472 HydrophobicContact CB-CD1 3.23Å; S468-I472 WeakPolarHBondContact OG-CD1 3.38Å; T470-I472 PolarHBondContact O-N 3.39Å; T470-I472 VanDerWaalsContact O-N 3.16Å; T470-I472 WeakPolarHBondContact OG1-CG1 3.31Å; I472-P474 WeakPolarHBondContact O-CD 3.09Å
473	E	83	Confident	83.6	Confident	92 Å²	92	69.7 Å²	69.7	43%	0.43	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	97.5	170.2	-68.3	-178.8	-177.5	0	0	108.4	Q372	Q372-E473 PolarHBondContact N-O 3.34Å
474	P	86.9	Confident	83.7	Confident	33 Å²	33	67.8 Å²	67.8	21%	0.214	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	128.7	171.2	33.2	-34.8	0	0	0	109.5	Q372 F374 V405 L463 V465 I472	Q372-P474 CarbonylContact O-C 3.03Å; Q372-P474 WeakPolarHBondContact O-CA 3.47Å; F374-P474 HydrophobicContact CD2-CB 4.32Å; F374-P474 HydrophobicContact CE2-CB 3.88Å; V405-P474 HydrophobicContact CG1-CB 4.37Å; L463-P474 HydrophobicContact CB-CB 4.44Å; L463-P474 HydrophobicContact CB-CG 4.47Å; L463-P474 HydrophobicContact CD1-CB 4.28Å; L463-P474 HydrophobicContact CD2-CB 4.39Å; V465-P474 HydrophobicContact CG2-CG 3.62Å; I472-P474 WeakPolarHBondContact O-CD 3.09Å
475	V	89.5	Confident	83.6	Confident	63 Å²	63	66 Å²	66	38%	0.382	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	134.2	-177.6	-178.6	0	0	0	0	108.9	V371 Q372 R373 F374 V477	V371-V475 HydrophobicContact CG1-CB 4.33Å; V371-V475 HydrophobicContact CG1-CG2 3.98Å; Q372-V475 PolarHBondContact O-N 3.35Å; R373-V475 WeakPolarHBondContact CA-O 3.26Å; F374-V475 PolarHBondContact N-O 2.85Å; V475-V477 HydrophobicContact CG1-CG2 4.34Å
476	L	88.5	Confident	83.4	Confident	50 Å²	50	64 Å²	64	26%	0.262	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	123	164.6	-73.8	171.6	0	0	0	107.6	F374 L460 L463 M480	F374-L476 HydrophobicContact CB-CD2 4.21Å; F374-L476 WeakPolarHBondContact O-CA 2.97Å; L460-L476 HydrophobicContact CB-CD1 4.49Å; L460-L476 HydrophobicContact CB-CD2 3.77Å; L460-L476 HydrophobicContact CD1-CD2 4.18Å; L460-L476 WeakPolarHBondContact O-CD1 3.49Å; L463-L476 HydrophobicContact CD1-CB 4.31Å; L463-L476 HydrophobicContact CD1-CD2 3.85Å; L463-L476 HydrophobicContact CD1-CG 3.55Å; L463-L476 HydrophobicContact CG-CD2 4.24Å; L463-L476 HydrophobicContact CG-CG 4.19Å; L476-M480 HydrophobicContact CB-CB 4.35Å
477	V	86.5	Confident	83	Confident	39 Å²	39	61.2 Å²	61.2	24%	0.236	33%	0.332	C	S	.	.			trans	-111.2	151.7	176.5	-176.5	0	0	0	0	107.8	R373 F374 F375 V475 P479 M480	R373-V477 HydrophobicContact CB-CB 4.44Å; R373-V477 HydrophobicContact CB-CG2 3.67Å; R373-V477 HydrophobicContact CG-CG2 3.67Å; F374-V477 PolarHBondContact O-N 2.9Å; F375-V477 VanDerWaalsContact CB-O 3.23Å; F375-V477 WeakPolarHBondContact CB-O 3.27Å; V475-V477 HydrophobicContact CG1-CG2 4.34Å; V477-P479 CarbonylContact O-C 3.54Å; V477-P479 VanDerWaalsContact O-C 3.31Å; V477-M480 PolarHBondContact O-N 3.4Å
478	D	77.2	Confident	82.8	Confident	126 Å²	126	55.6 Å²	55.6	67%	0.674	31%	0.306	S	S	*	.	S	Bend	trans	-61.2	134.3	173.3	-69.3	-50.5	0	0	0	110.7
479	P	77.7	Confident	82.3	Confident	43 Å²	43	54.7 Å²	54.7	28%	0.279	30%	0.298	S	S	.	.			cis	-85.9	120.2	2.9	32.3	-34.2	0	0	0	113.5	F376 V477	F376-P479 HydrophobicContact CB-CG 4.17Å; F376-P479 PolarHBondContact N-O 3.32Å; F376-P479 WeakPolarHBondContact O-CG 3.45Å; V477-P479 CarbonylContact O-C 3.54Å; V477-P479 VanDerWaalsContact O-C 3.31Å
480	M	87	Confident	81.9	Confident	94 Å²	94	51.3 Å²	51.3	46%	0.463	27%	0.273	S	S	.	.			trans	-87.7	-11.7	174.3	62	174.6	173.9	0	0	114	F376 L460 L476 V477	F376-M480 VanDerWaalsContact CE2-O 3.32Å; F376-M480 WeakPolarHBondContact CE2-O 3.2Å; L460-M480 PolarHBondContact N-O 3.13Å; L476-M480 HydrophobicContact CB-CB 4.35Å; V477-M480 PolarHBondContact O-N 3.4Å
481	V	89	Confident	81.8	Confident	40 Å²	40	49.3 Å²	49.3	24%	0.242	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	134.2	173.6	-176.2	0	0	0	0	107.5	F376 T457 V458 H459	F376-V481 VanDerWaalsContact CD2-C 3.46Å; T457-V481 HydrophobicContact CG2-CG1 4.09Å; V458-V481 WeakPolarHBondContact O-CA 3.34Å; H459-V481 VanDerWaalsContact CD2-CG2 3.41Å; H459-V481 WeakPolarHBondContact CD2-CG2 3.39Å
482	A	90.2	Very high	81.6	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.5	167	0	0	0	0	0	108.9	F376 G379 Y381 V392 T457 V458 I484	F376-A482 HydrophobicContact CB-CB 4.14Å; F376-A482 HydrophobicContact CD1-CB 3.77Å; F376-A482 HydrophobicContact CD2-CB 3.7Å; F376-A482 VanDerWaalsContact CD2-N 3.29Å; F376-A482 HydrophobicContact CE1-CB 3.99Å; F376-A482 HydrophobicContact CE2-CB 3.89Å; F376-A482 VanDerWaalsContact CE2-N 3.3Å; F376-A482 HydrophobicContact CG-CB 3.62Å; F376-A482 HydrophobicContact CZ-CB 4.03Å; G379-A482 VanDerWaalsContact O-CA 3.31Å; G379-A482 WeakPolarHBondContact O-CA 3.25Å; Y381-A482 HydrophobicContact CD2-CB 4.09Å; Y381-A482 HydrophobicContact CE2-CB 3.97Å; V392-A482 HydrophobicContact CG1-CB 4.18Å; T457-A482 CarbonylContact C-O 3.51Å; T457-A482 WeakPolarHBondContact CA-O 3.4Å; V458-A482 HydrophobicContact CB-CB 4.39Å; V458-A482 PolarHBondContact N-O 2.95Å; V458-A482 PolarHBondContact O-N 3.27Å; A482-I484 HydrophobicContact CB-CD1 4.22Å; A482-I484 WeakPolarHBondContact O-CD1 3.42Å
483	T	85.5	Confident	81.7	Confident	44 Å²	44	40.3 Å²	40.3	27%	0.27	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	128.6	171.2	-56.3	0	0	0	0	109	G379 H380 Y381 H455 T457	G379-T483 PolarHBondContact O-N 2.87Å; G379-T483 VanDerWaalsContact O-N 3.11Å; H380-T483 CarbonylContact C-O 3.52Å; H380-T483 WeakPolarHBondContact CA-O 3.37Å; Y381-T483 PolarHBondContact N-O 3.38Å; H455-T483 HydrophobicContact CB-CG2 4.38Å; T457-T483 HydrophobicContact CG2-CG2 4.44Å
484	I	91.7	Very high	81.7	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	116.1	174.9	-62.6	61.1	0	0	0	106	Y381 V383 F390 V392 H455 F456 V458 A482	Y381-I484 CarbonylContact O-C 3.5Å; Y381-I484 WeakPolarHBondContact O-CA 3.35Å; V383-I484 HydrophobicContact CG2-CG2 3.82Å; F390-I484 HydrophobicContact CE1-CG2 4.33Å; F390-I484 HydrophobicContact CE2-CG1 4.31Å; F390-I484 HydrophobicContact CZ-CB 4.45Å; F390-I484 HydrophobicContact CZ-CG1 3.83Å; F390-I484 HydrophobicContact CZ-CG2 3.66Å; V392-I484 HydrophobicContact CG2-CD1 4.48Å; V392-I484 HydrophobicContact CG2-CG1 4.48Å; H455-I484 CarbonylContact C-O 3.54Å; H455-I484 WeakPolarHBondContact CA-O 3.49Å; H455-I484 VanDerWaalsContact CB-O 3.28Å; H455-I484 WeakPolarHBondContact CB-O 3.04Å; F456-I484 HydrophobicContact CD1-CB 4.18Å; F456-I484 HydrophobicContact CD1-CG2 4.28Å; F456-I484 HydrophobicContact CD2-CB 4.41Å; F456-I484 HydrophobicContact CE1-CB 3.74Å; F456-I484 HydrophobicContact CE1-CG1 4.44Å; F456-I484 HydrophobicContact CE1-CG2 3.49Å; F456-I484 VanDerWaalsContact CE1-CG2 3.49Å; F456-I484 HydrophobicContact CE2-CB 3.99Å; F456-I484 HydrophobicContact CE2-CD1 4.2Å; F456-I484 HydrophobicContact CE2-CG1 3.92Å; F456-I484 HydrophobicContact CE2-CG2 4.43Å; F456-I484 HydrophobicContact CG-CB 4.49Å; F456-I484 HydrophobicContact CZ-CB 3.63Å; F456-I484 HydrophobicContact CZ-CG1 3.82Å; F456-I484 HydrophobicContact CZ-CG2 3.58Å; F456-I484 PolarHBondContact N-O 3.47Å; F456-I484 PolarHBondContact O-N 3.42Å; V458-I484 HydrophobicContact CB-CD1 4.31Å; V458-I484 HydrophobicContact CG2-CD1 3.51Å; A482-I484 HydrophobicContact CB-CD1 4.22Å; A482-I484 WeakPolarHBondContact O-CD1 3.42Å
485	M	84.9	Confident	81.9	Confident	59 Å²	59	35.9 Å²	35.9	29%	0.291	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	121.3	171.2	-175.6	168.1	67.9	0	0	108.5	Y381 T382 V383 E454 L487	Y381-M485 PolarHBondContact O-N 3.28Å; T382-M485 WeakPolarHBondContact CA-O 3.37Å; T382-M485 HydrophobicContact CG2-CE 3.56Å; T382-M485 WeakPolarHBondContact OG1-CE 3.3Å; V383-M485 PolarHBondContact N-O 3Å; E454-M485 CarbonylContact O-C 3.57Å; E454-M485 WeakPolarHBondContact O-CA 3.44Å; M485-L487 HydrophobicContact CE-CD2 3.96Å; M485-L487 HydrophobicContact CG-CD2 4.01Å; M485-L487 HydrophobicContact SD-CD2 4.22Å
486	V	82.7	Confident	81.9	Confident	12 Å²	12	34.7 Å²	34.7	7%	0.073	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	120.6	173.5	-173.9	0	0	0	0	107	V383 E385 I444 E454 F456	V383-V486 HydrophobicContact CG2-CG2 4.3Å; V383-V486 CarbonylContact O-C 3.6Å; V383-V486 WeakPolarHBondContact O-CA 3.43Å; E385-V486 HydrophobicContact CB-CG1 4.35Å; E385-V486 HydrophobicContact CG-CG1 4.4Å; I444-V486 HydrophobicContact CD1-CG2 4.05Å; I444-V486 HydrophobicContact CG2-CG1 4.04Å; E454-V486 PolarHBondContact N-O 3.13Å; E454-V486 PolarHBondContact O-N 3.28Å; F456-V486 HydrophobicContact CD1-CG2 4.25Å; F456-V486 HydrophobicContact CE1-CG2 3.96Å
487	L	76.3	Confident	82.2	Confident	40 Å²	40	32.3 Å²	32.3	21%	0.209	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.9	178.7	-64.3	-177.3	0	0	0	109.7	T382 V383 M384 E385 D453 M485	T382-L487 HydrophobicContact CG2-CD1 3.3Å; T382-L487 HydrophobicContact CG2-CD2 4.31Å; T382-L487 HydrophobicContact CG2-CG 3.61Å; V383-L487 PolarHBondContact O-N 3.05Å; M384-L487 HydrophobicContact SD-CB 4.29Å; E385-L487 PolarHBondContact N-O 3.35Å; D453-L487 HydrophobicContact CB-CD2 4.14Å; D453-L487 VanDerWaalsContact CG-CD2 3.48Å; D453-L487 WeakPolarHBondContact OD1-CD2 3.35Å; M485-L487 HydrophobicContact CE-CD2 3.96Å; M485-L487 HydrophobicContact CG-CD2 4.01Å; M485-L487 HydrophobicContact SD-CD2 4.22Å
488	D	76.3	Confident	82.2	Confident	15 Å²	15	34 Å²	34	8%	0.08	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-66.8	138.4	169.1	174.9	100.3	0	0	0	109.8	F450 E451 D453 D490	F450-D488 WeakPolarHBondContact CA-OD1 3.45Å; F450-D488 WeakPolarHBondContact CD2-OD2 3.38Å; E451-D488 PolarHBondContact N-OD1 3.34Å; D453-D488 PolarHBondContact OD1-N 3.47Å; D488-D490 PolarHBondContact OD2-N 3.32Å
489	D	68.4	Low	82.8	Confident	20 Å²	20	30.7 Å²	30.7	11%	0.107	17%	0.169	C	C	.	.			trans	-114.9	14.8	-176.6	80.5	-5	0	0	0	115.3	M384 N386	M384-D489 HydrophobicContact CE-CB 3.27Å; N386-D489 PolarHBondContact ND2-OD2 3.05Å
490	D	67.3	Low	83.2	Confident	31 Å²	31	32.7 Å²	32.7	17%	0.166	18%	0.18	C	C	.	.			trans	-97.3	-10.2	-162.9	-99	-20.6	0	0	0	117	D448 I449 F450 D488 R522	D448-D490 VanDerWaalsContact CA-OD2 3.26Å; D448-D490 WeakPolarHBondContact CA-OD2 3.27Å; I449-D490 PolarHBondContact N-OD2 2.87Å; F450-D490 HydrophobicContact CB-CB 4.3Å; D488-D490 PolarHBondContact OD2-N 3.32Å; D490-R522 IonicContact OD1-CZ 2.74Å; D490-R522 IonicContact OD1-NH1 3.47Å; D490-R522 PolarHBondContact OD1-NH1 3.35Å
491	H	74.7	Confident	83.3	Confident	29 Å²	29	32.8 Å²	32.8	13%	0.134	18%	0.182	C	C	.	.	S	Bend	trans	-105.2	152.7	178.8	179	89.2	0	0	0	114.2	F450 G493 S519 G520 C521 R522 T639	F450-H491 HydrophobicContact CD2-CB 3.65Å; F450-H491 HydrophobicContact CE2-CB 3.73Å; H491-G493 VanDerWaalsContact CD2-CA 3.49Å; H491-G493 WeakPolarHBondContact CD2-CA 2.76Å; H491-G493 PolarHBondContact CD2-N 2.9Å; H491-G493 PolarHBondContact NE2-N 2.93Å; H491-S519 WeakPolarHBondContact CB-O 3.43Å; H491-S519 VanDerWaalsContact CD2-C 3.47Å; H491-S519 PolarHBondContact CD2-O 3.48Å; H491-G520 CarbonylContact O-C 3.53Å; H491-G520 WeakPolarHBondContact O-CA 3.38Å; H491-C521 PolarHBondContact O-N 2.92Å; H491-R522 WeakPolarHBondContact O-CB 3.14Å; H491-R522 PolarHBondContact O-N 3.48Å; H491-T639 PolarHBondContact CE1-O 3.42Å; H491-T639 VanDerWaalsContact CE1-O 3.23Å; H491-T639 PolarHBondContact ND1-O 3.35Å; H491-T639 VanDerWaalsContact ND1-O 3.17Å
492	S	70.4	Confident	83.4	Confident	16 Å²	16	32.9 Å²	32.9	11%	0.112	18%	0.181	C	C	.	.			trans	-85.3	-6.4	-176.6	-52.3	0	0	0	0	116	R517 R522 G640	S492-R517 VanDerWaalsContact O-CZ 3.26Å; S492-R517 PolarHBondContact O-NE 2.88Å; S492-R517 PolarHBondContact O-NH2 3.19Å; S492-R522 VanDerWaalsContact CA-O 3.23Å; S492-R522 WeakPolarHBondContact CA-O 3.1Å; S492-R522 VanDerWaalsContact CB-O 3.28Å; S492-R522 WeakPolarHBondContact CB-O 3.08Å; S492-R522 PolarHBondContact OG-O 3.39Å; S492-G640 WeakPolarHBondContact CB-O 3.3Å; S492-G640 PolarHBondContact OG-O 3.47Å
493	G	81.7	Confident	83.2	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.207	C	C	.	.			trans	102.9	146.2	165.1	0	0	0	0	0	117.2	H491 F495 V518 G520 P642 R643	H491-G493 VanDerWaalsContact CD2-CA 3.49Å; H491-G493 WeakPolarHBondContact CD2-CA 2.76Å; H491-G493 PolarHBondContact CD2-N 2.9Å; H491-G493 PolarHBondContact NE2-N 2.93Å; G493-F495 WeakPolarHBondContact O-CE2 3Å; G493-V518 CarbonylContact C-O 3.55Å; G493-G520 WeakPolarHBondContact CA-O 3.49Å; G493-G520 PolarHBondContact N-O 3.38Å; G493-P642 VanDerWaalsContact O-CA 3.22Å; G493-P642 WeakPolarHBondContact O-CA 3.15Å; G493-R643 PolarHBondContact O-N 3.42Å
494	V	83.8	Confident	83.3	Confident	33 Å²	33	35.7 Å²	35.7	20%	0.2	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125	176.2	178.2	0	0	0	0	109.4	R517 V518 R643 G645	V494-R517 CarbonylContact O-C 3.53Å; V494-R517 VanDerWaalsContact O-CA 3.29Å; V494-R517 WeakPolarHBondContact O-CA 3.29Å; V494-V518 HydrophobicContact CB-CG2 3.86Å; V494-V518 WeakPolarHBondContact CB-O 3.28Å; V494-V518 HydrophobicContact CG1-CG2 4.18Å; V494-V518 PolarHBondContact N-O 2.9Å; V494-V518 WeakPolarHBondContact O-CG2 3.28Å; V494-V518 PolarHBondContact O-N 3.31Å; V494-R643 CarbonylContact C-O 3.58Å; V494-R643 VanDerWaalsContact CA-O 3.31Å; V494-R643 WeakPolarHBondContact CA-O 3.46Å; V494-G645 VanDerWaalsContact CG1-CA 3.44Å
495	F	90.3	Very high	82.9	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	123.4	-170.8	-63.8	-92.9	0	0	0	112.2	G493 Q516 R517 V525 L527 F552 P584 P642 R643 G645	G493-F495 WeakPolarHBondContact O-CE2 3Å; F495-Q516 WeakPolarHBondContact CA-O 3.21Å; F495-R517 HydrophobicContact CD1-CB 3.95Å; F495-R517 HydrophobicContact CD1-CG 4.16Å; F495-R517 HydrophobicContact CE1-CB 3.64Å; F495-R517 HydrophobicContact CE1-CG 3.56Å; F495-R517 HydrophobicContact CE2-CG 4.09Å; F495-R517 HydrophobicContact CZ-CB 4.16Å; F495-R517 HydrophobicContact CZ-CG 3.52Å; F495-V525 HydrophobicContact CD2-CG1 4.48Å; F495-V525 HydrophobicContact CE1-CB 4.42Å; F495-V525 HydrophobicContact CE1-CG1 4.32Å; F495-V525 HydrophobicContact CE2-CB 4.13Å; F495-V525 HydrophobicContact CE2-CG1 3.65Å; F495-V525 HydrophobicContact CE2-CG2 4.16Å; F495-V525 HydrophobicContact CZ-CB 3.59Å; F495-V525 HydrophobicContact CZ-CG1 3.53Å; F495-V525 HydrophobicContact CZ-CG2 3.86Å; F495-L527 HydrophobicContact CB-CD1 3.95Å; F495-L527 HydrophobicContact CB-CD2 3.96Å; F495-L527 HydrophobicContact CD1-CD2 3.99Å; F495-L527 HydrophobicContact CG-CD1 4.24Å; F495-L527 HydrophobicContact CG-CD2 4.24Å; F495-F552 HydrophobicContact CD1-CD2 4.03Å; F495-F552 HydrophobicContact CD1-CE1 4.35Å; F495-F552 AromaticContact CD1-CE2 3.76Å; F495-F552 HydrophobicContact CD1-CE2 3.76Å; F495-F552 HydrophobicContact CD1-CG 4.45Å; F495-F552 AromaticContact CD1-CZ 3.93Å; F495-F552 HydrophobicContact CD1-CZ 3.93Å; F495-F552 HydrophobicContact CE1-CB 4.16Å; F495-F552 AromaticContact CE1-CD1 3.88Å; F495-F552 HydrophobicContact CE1-CD1 3.88Å; F495-F552 AromaticContact CE1-CD2 3.47Å; F495-F552 HydrophobicContact CE1-CD2 3.47Å; F495-F552 VanDerWaalsContact CE1-CD2 3.47Å; F495-F552 HydrophobicContact CE1-CE1 4.05Å; F495-F552 AromaticContact CE1-CE2 3.69Å; F495-F552 HydrophobicContact CE1-CE2 3.69Å; F495-F552 AromaticContact CE1-CG 3.58Å; F495-F552 HydrophobicContact CE1-CG 3.58Å; F495-F552 AromaticContact CE1-CZ 3.97Å; F495-F552 HydrophobicContact CE1-CZ 3.97Å; F495-F552 HydrophobicContact CZ-CD2 4.48Å; F495-F552 HydrophobicContact CZ-CG 4.42Å; F495-P584 HydrophobicContact CD2-CB 3.84Å; F495-P584 HydrophobicContact CD2-CG 4.07Å; F495-P584 HydrophobicContact CE2-CB 4.14Å; F495-P584 HydrophobicContact CG-CB 4.5Å; F495-P642 HydrophobicContact CD2-CB 4.3Å; F495-P642 HydrophobicContact CE2-CB 3.68Å; F495-R643 PolarHBondContact N-O 3.3Å; F495-G645 PolarHBondContact O-N 3.48Å
496	Q	90.6	Very high	82.6	Confident	37 Å²	37	35.5 Å²	35.5	17%	0.173	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	163	178	63	-176.4	20.8	0	0	112.3	V515 Q516 Q647	Q496-V515 CarbonylContact O-C 3.47Å; Q496-V515 WeakPolarHBondContact O-CA 3.22Å; Q496-Q516 PolarHBondContact N-O 3.38Å; Q496-Q516 PolarHBondContact O-N 3.49Å; Q496-Q647 WeakPolarHBondContact CA-O 3.49Å; Q496-Q647 HydrophobicContact CB-CB 4.3Å
497	F	93.3	Very high	82.2	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	145	167.6	-66.3	-64.6	0	0	0	111.3	V499 I513 V515 I561 V579 L581 Q647 T648 I650	F497-V499 VanDerWaalsContact C-N 3.34Å; F497-I513 HydrophobicContact CD1-CG2 3.51Å; F497-I513 HydrophobicContact CE1-CG2 3.44Å; F497-I513 VanDerWaalsContact CE1-CG2 3.44Å; F497-V515 HydrophobicContact CD1-CG2 3.87Å; F497-V515 HydrophobicContact CE1-CG2 3.7Å; F497-I561 HydrophobicContact CE1-CD1 4.1Å; F497-V579 WeakPolarHBondContact CE2-O 3.4Å; F497-V579 HydrophobicContact CZ-CB 4.21Å; F497-V579 HydrophobicContact CZ-CG1 3.97Å; F497-L581 HydrophobicContact CD2-CD1 4.15Å; F497-L581 HydrophobicContact CD2-CG 4.24Å; F497-L581 HydrophobicContact CE1-CD1 4.38Å; F497-L581 HydrophobicContact CE1-CD2 3.89Å; F497-L581 HydrophobicContact CE1-CG 4.12Å; F497-L581 HydrophobicContact CE2-CD1 3.99Å; F497-L581 HydrophobicContact CE2-CD2 4.17Å; F497-L581 HydrophobicContact CE2-CG 3.58Å; F497-L581 HydrophobicContact CG-CD1 4.44Å; F497-L581 HydrophobicContact CZ-CD1 4.1Å; F497-L581 HydrophobicContact CZ-CD2 3.55Å; F497-L581 HydrophobicContact CZ-CG 3.5Å; F497-L581 VanDerWaalsContact CZ-CG 3.5Å; F497-Q647 HydrophobicContact CB-CB 4.39Å; F497-Q647 PolarHBondContact N-O 3.06Å; F497-T648 WeakPolarHBondContact CE2-O 3.38Å; F497-I650 HydrophobicContact CB-CB 4.31Å; F497-I650 HydrophobicContact CD1-CB 4.3Å; F497-I650 HydrophobicContact CD1-CG2 3.98Å; F497-I650 HydrophobicContact CD2-CB 3.75Å; F497-I650 HydrophobicContact CD2-CG2 3.88Å; F497-I650 HydrophobicContact CE1-CG2 3.83Å; F497-I650 HydrophobicContact CE2-CB 4.05Å; F497-I650 HydrophobicContact CE2-CG2 3.7Å; F497-I650 HydrophobicContact CG-CB 3.87Å; F497-I650 HydrophobicContact CG-CG2 4Å; F497-I650 HydrophobicContact CZ-CB 4.47Å; F497-I650 HydrophobicContact CZ-CG2 3.69Å
498	D	87.3	Confident	82.4	Confident	75 Å²	75	37.6 Å²	37.6	40%	0.401	22%	0.219	S	C	.	.	S	Bend	trans	-63.2	-38	176.2	-176.9	35	0	0	0	112.3	K514 Q516	D498-K514 HydrophobicContact CB-CB 4.26Å; D498-K514 PolarHBondContact N-O 2.86Å; D498-Q516 HydrophobicContact CB-CG 4.28Å; D498-Q516 PolarHBondContact OD1-NE2 3.41Å
499	V	89	Confident	82.6	Confident	57 Å²	57	42.7 Å²	42.7	35%	0.345	24%	0.242	S	C	.	.			trans	-134.3	155.8	-177.2	-60.9	0	0	0	0	112.2	F497 L502 Q647 I650	F497-V499 VanDerWaalsContact C-N 3.34Å; V499-L502 HydrophobicContact CG2-CB 4.35Å; V499-Q647 PolarHBondContact O-NE2 3.43Å; V499-I650 HydrophobicContact CG2-CD1 3.89Å; V499-I650 WeakPolarHBondContact O-CD1 3.33Å; V499-I650 WeakPolarHBondContact O-CG1 3.44Å
500	V	88	Confident	83.6	Confident	85 Å²	85	46.6 Å²	46.6	52%	0.515	26%	0.256	S	S	.	.	S	Bend	trans	-82.1	-39.3	-178.1	-173.2	0	0	0	0	110.8	Q647 I650 K651	V500-Q647 HydrophobicContact CG2-CG 4.05Å; V500-I650 WeakPolarHBondContact O-CA 3.11Å; V500-I650 WeakPolarHBondContact O-CG1 3.21Å; V500-K651 PolarHBondContact O-N 3.46Å
501	D	87.9	Confident	84.7	Confident	96 Å²	96	45.1 Å²	45.1	51%	0.513	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	127.1	-179.3	-70.2	-15.8	0	0	0	108.7	K651	D501-K651 CarbonylContact C-O 3.47Å; D501-K651 WeakPolarHBondContact CA-O 3.25Å; D501-K651 VanDerWaalsContact OD1-CB 3.25Å; D501-K651 WeakPolarHBondContact OD1-CB 3.37Å
502	L	90.6	Very high	85.4	Confident	41 Å²	41	48.3 Å²	48.3	22%	0.215	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.7	173.3	-178	66.7	0	0	0	108.6	V499 V504 I513 I650 K651 I652 T653	V499-L502 HydrophobicContact CG2-CB 4.35Å; L502-V504 HydrophobicContact CD2-CG1 3.89Å; L502-V504 HydrophobicContact CG-CG1 3.87Å; L502-I513 HydrophobicContact CD2-CG1 4.07Å; L502-I650 HydrophobicContact CB-CD1 3.92Å; L502-I650 HydrophobicContact CB-CG1 4.47Å; L502-K651 PolarHBondContact N-O 3.18Å; L502-I652 HydrophobicContact CB-CG1 4.36Å; L502-I652 CarbonylContact O-C 3.42Å; L502-I652 VanDerWaalsContact O-CA 3.3Å; L502-I652 WeakPolarHBondContact O-CA 3.33Å; L502-T653 PolarHBondContact O-N 3.41Å
503	T	87.1	Confident	86.5	Confident	88 Å²	88	47.6 Å²	47.6	54%	0.54	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.5	173.6	-59.8	0	0	0	0	108.7	T653 T655	T503-T653 WeakPolarHBondContact CA-O 3.26Å; T503-T655 HydrophobicContact CG2-CG2 3.49Å; T503-T655 VanDerWaalsContact CG2-CG2 3.49Å; T503-T655 WeakPolarHBondContact CG2-OG1 3.38Å
504	V	87.4	Confident	87	Confident	16 Å²	16	52.1 Å²	52.1	10%	0.097	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	148.7	179	-61.4	0	0	0	0	110.2	L502 A511 V565 I652 T653 I654 T655	L502-V504 HydrophobicContact CD2-CG1 3.89Å; L502-V504 HydrophobicContact CG-CG1 3.87Å; V504-A511 HydrophobicContact CG1-CB 4.12Å; V504-V565 HydrophobicContact CG2-CG2 4.48Å; V504-I652 HydrophobicContact CG1-CG2 4.3Å; V504-I652 HydrophobicContact CG2-CG2 3.71Å; V504-T653 PolarHBondContact N-O 2.86Å; V504-I654 HydrophobicContact CG2-CG1 4.2Å; V504-T655 PolarHBondContact O-N 3.25Å; V504-T655 PolarHBondContact O-OG1 3.44Å; V504-T655 VanDerWaalsContact O-OG1 3.1Å
505	S	82.7	Confident	87.4	Confident	30 Å²	30	50.5 Å²	50.5	21%	0.21	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	141.8	172.5	177	0	0	0	0	109.4	S507 C508 T655 S657	S505-S507 PolarHBondContact O-N 3.48Å; S505-S507 VanDerWaalsContact O-N 3.11Å; S505-S507 PolarHBondContact OG-N 3.14Å; S505-S507 PolarHBondContact OG-OG 3.33Å; S505-C508 WeakPolarHBondContact O-CB 3.42Å; S505-C508 PolarHBondContact O-N 3.14Å; S505-C508 PolarHBondContact O-SG 3.34Å; S505-T655 CarbonylContact C-O 3.59Å; S505-T655 VanDerWaalsContact CA-O 3.28Å; S505-T655 WeakPolarHBondContact CA-O 3.39Å; S505-S657 WeakPolarHBondContact OG-CA 3.29Å; S505-S657 WeakPolarHBondContact OG-CB 3.33Å; S505-S657 PolarHBondContact OG-OG 3.06Å
506	E	79.4	Confident	87.4	Confident	24 Å²	24	53.5 Å²	53.5	11%	0.112	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-30.7	168.2	-75.3	176.4	-176.6	0	0	112.7	C508 I654 T655	E506-C508 PolarHBondContact O-N 3.16Å; E506-I654 HydrophobicContact CB-CG2 4.34Å; E506-I654 HydrophobicContact CG-CG2 3.25Å; E506-T655 PolarHBondContact N-O 2.89Å
507	S	74.5	Confident	87.3	Confident	65 Å²	65	52 Å²	52	46%	0.455	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-5.1	177.8	71.6	0	0	0	0	114.5	S505 S657	S505-S507 PolarHBondContact O-N 3.48Å; S505-S507 VanDerWaalsContact O-N 3.11Å; S505-S507 PolarHBondContact OG-N 3.14Å; S505-S507 PolarHBondContact OG-OG 3.33Å; S507-S657 PolarHBondContact OG-OG 3.34Å
508	C	79.1	Confident	86.7	Confident	32 Å²	32	54.1 Å²	54.1	22%	0.216	29%	0.287	C	S	.	.			trans	-78.8	127.4	175	78.8	0	0	0	0	109.1	S505 E506 Y510	S505-C508 WeakPolarHBondContact O-CB 3.42Å; S505-C508 PolarHBondContact O-N 3.14Å; S505-C508 PolarHBondContact O-SG 3.34Å; E506-C508 PolarHBondContact O-N 3.16Å; C508-Y510 VanDerWaalsContact C-N 3.28Å; C508-Y510 PolarHBondContact O-N 3.37Å
509	E	81.9	Confident	86.2	Confident	121 Å²	121	54.1 Å²	54.1	57%	0.565	29%	0.293	S	S	*	.	S	Bend	trans	-69.4	-32.9	177.4	-166.9	-175.3	172.1	0	0	111.1	R564 V565	E509-R564 WeakPolarHBondContact O-CA 3.32Å; E509-R564 WeakPolarHBondContact O-CG 3.5Å; E509-V565 PolarHBondContact O-N 3.03Å; E509-V565 VanDerWaalsContact O-N 3.1Å
510	Y	88.8	Confident	85.4	Confident	102 Å²	102	52 Å²	52	40%	0.4	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	131.3	178.2	-60	-85.8	0	0	0	110.7	C508 E512 R562 I563 R564	C508-Y510 VanDerWaalsContact C-N 3.28Å; C508-Y510 PolarHBondContact O-N 3.37Å; Y510-E512 PolarHBondContact O-N 2.86Å; Y510-R562 HydrophobicContact CD1-CB 4.1Å; Y510-R562 HydrophobicContact CG-CB 4.48Å; Y510-I563 CarbonylContact C-O 3.58Å; Y510-I563 VanDerWaalsContact CA-O 3.31Å; Y510-I563 WeakPolarHBondContact CA-O 3.45Å; Y510-R564 HydrophobicContact CD1-CB 4.17Å; Y510-R564 HydrophobicContact CD1-CG 4.44Å; Y510-R564 HydrophobicContact CE1-CB 4.03Å; Y510-R564 HydrophobicContact CE1-CG 4.09Å
511	A	89.6	Confident	84.8	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.008	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	108.3	160	0	0	0	0	0	108.3	V504 I513 I563 V565 I652	V504-A511 HydrophobicContact CG1-CB 4.12Å; A511-I513 HydrophobicContact CB-CD1 4.4Å; A511-I513 PolarHBondContact O-N 2.95Å; A511-I563 PolarHBondContact N-O 3.16Å; A511-I563 PolarHBondContact O-N 3.44Å; A511-I563 VanDerWaalsContact O-N 3.11Å; A511-V565 HydrophobicContact CB-CG2 3.81Å; A511-I652 HydrophobicContact CB-CG2 4.46Å
512	E	90.8	Very high	84.2	Confident	95 Å²	95	49.3 Å²	49.3	44%	0.444	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	106.8	173.7	-63.2	-159	140.5	0	0	109.8	Y510 T560 R562	Y510-E512 PolarHBondContact O-N 2.86Å; E512-T560 HydrophobicContact CB-CG2 3.86Å; E512-T560 HydrophobicContact CG-CG2 4.29Å; E512-R562 HydrophobicContact CG-CG 4.33Å; E512-R562 IonicContact OE1-CZ 3.7Å; E512-R562 IonicContact OE1-NE 3.65Å; E512-R562 PolarHBondContact OE1-NE 3.14Å; E512-R562 IonicContact OE1-NH2 2.99Å; E512-R562 PolarHBondContact OE1-NH2 3.2Å
513	I	92.5	Very high	83.6	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	113.9	179.7	-57.5	124.9	0	0	0	108.3	F497 L502 A511 T560 I561 I563 V579 I650 I652	F497-I513 HydrophobicContact CD1-CG2 3.51Å; F497-I513 HydrophobicContact CE1-CG2 3.44Å; F497-I513 VanDerWaalsContact CE1-CG2 3.44Å; L502-I513 HydrophobicContact CD2-CG1 4.07Å; A511-I513 HydrophobicContact CB-CD1 4.4Å; A511-I513 PolarHBondContact O-N 2.95Å; I513-T560 WeakPolarHBondContact O-CA 3.47Å; I513-I561 HydrophobicContact CB-CB 4.24Å; I513-I561 HydrophobicContact CD1-CB 4.38Å; I513-I561 HydrophobicContact CD1-CG2 4.43Å; I513-I561 PolarHBondContact N-O 3.43Å; I513-I561 PolarHBondContact O-N 2.83Å; I513-I563 HydrophobicContact CD1-CB 4.38Å; I513-I563 HydrophobicContact CD1-CD1 3.54Å; I513-I563 HydrophobicContact CD1-CG1 3.87Å; I513-V579 HydrophobicContact CD1-CG2 4.08Å; I513-I650 HydrophobicContact CG2-CD1 3.93Å; I513-I650 HydrophobicContact CG2-CG2 4.01Å; I513-I652 HydrophobicContact CD1-CD1 3.55Å; I513-I652 HydrophobicContact CG1-CD1 3.75Å; I513-I652 HydrophobicContact CG1-CG1 4.4Å
514	K	92.1	Very high	83.5	Confident	95 Å²	95	45.2 Å²	45.2	41%	0.413	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	127.9	177.3	-66	-168.2	173.1	-153.7	0	111.1	D498 E558	D498-K514 HydrophobicContact CB-CB 4.26Å; D498-K514 PolarHBondContact N-O 2.86Å; K514-E558 IonicContact NZ-OE2 3.81Å; K514-E558 PolarHBondContact NZ-OE2 2.75Å
515	V	92.5	Very high	83.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	121.9	169.4	-176	0	0	0	0	107.4	Q496 F497 L527 I550 F552 E558 G559 I561 L581	Q496-V515 CarbonylContact O-C 3.47Å; Q496-V515 WeakPolarHBondContact O-CA 3.22Å; F497-V515 HydrophobicContact CD1-CG2 3.87Å; F497-V515 HydrophobicContact CE1-CG2 3.7Å; V515-L527 HydrophobicContact CG1-CD2 3.56Å; V515-I550 HydrophobicContact CB-CD1 4.22Å; V515-I550 HydrophobicContact CG2-CD1 3.75Å; V515-F552 HydrophobicContact CB-CZ 4.14Å; V515-F552 HydrophobicContact CG1-CE2 4.44Å; V515-F552 HydrophobicContact CG1-CZ 3.98Å; V515-E558 WeakPolarHBondContact O-CA 3.13Å; V515-G559 PolarHBondContact N-O 3.35Å; V515-G559 PolarHBondContact O-N 3.5Å; V515-I561 HydrophobicContact CG2-CD1 3.89Å; V515-I561 HydrophobicContact CG2-CG1 4.1Å; V515-L581 HydrophobicContact CG1-CD1 4.08Å; V515-L581 HydrophobicContact CG1-CD2 4.49Å; V515-L581 HydrophobicContact CG2-CD2 4.11Å
516	Q	90.3	Very high	83.9	Confident	62 Å²	62	47.1 Å²	47.1	29%	0.29	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	139.8	176.5	-70.7	176.7	-16.2	0	0	110.2	F495 Q496 D498 V518	F495-Q516 WeakPolarHBondContact CA-O 3.21Å; Q496-Q516 PolarHBondContact N-O 3.38Å; Q496-Q516 PolarHBondContact O-N 3.49Å; D498-Q516 HydrophobicContact CB-CG 4.28Å; D498-Q516 PolarHBondContact OD1-NE2 3.41Å; Q516-V518 HydrophobicContact CB-CG1 3.97Å
517	R	87.6	Confident	84.5	Confident	6 Å²	6	46 Å²	46	2%	0.023	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	104.9	163.9	-178.7	-168.7	-165.8	173.8	0.1	106.7	S492 V494 F495 G520 C521 R522 G523 F552 Q553 Q556 T557	S492-R517 VanDerWaalsContact O-CZ 3.26Å; S492-R517 PolarHBondContact O-NE 2.88Å; S492-R517 PolarHBondContact O-NH2 3.19Å; V494-R517 CarbonylContact O-C 3.53Å; V494-R517 VanDerWaalsContact O-CA 3.29Å; V494-R517 WeakPolarHBondContact O-CA 3.29Å; F495-R517 HydrophobicContact CD1-CB 3.95Å; F495-R517 HydrophobicContact CD1-CG 4.16Å; F495-R517 HydrophobicContact CE1-CB 3.64Å; F495-R517 HydrophobicContact CE1-CG 3.56Å; F495-R517 HydrophobicContact CE2-CG 4.09Å; F495-R517 HydrophobicContact CZ-CB 4.16Å; F495-R517 HydrophobicContact CZ-CG 3.52Å; R517-G520 WeakPolarHBondContact CG-O 3.42Å; R517-G520 PolarHBondContact NE-O 2.88Å; R517-C521 VanDerWaalsContact CZ-O 3.22Å; R517-C521 PolarHBondContact NH1-O 3.17Å; R517-C521 VanDerWaalsContact NH2-C 3.34Å; R517-C521 PolarHBondContact NH2-O 2.93Å; R517-R522 VanDerWaalsContact NH2-C 3.33Å; R517-R522 PolarHBondContact NH2-O 2.75Å; R517-G523 PolarHBondContact NH1-O 3.26Å; R517-G523 PolarHBondContact NH2-O 2.9Å; R517-F552 HydrophobicContact CB-CD1 4.12Å; R517-F552 HydrophobicContact CB-CE1 3.97Å; R517-Q553 PolarHBondContact NH1-O 2.77Å; R517-Q556 WeakPolarHBondContact CD-O 3.32Å; R517-Q556 PolarHBondContact NH1-O 3.35Å; R517-T557 WeakPolarHBondContact CB-O 3.47Å; R517-T557 PolarHBondContact N-O 2.64Å
518	V	82.4	Confident	85.4	Confident	44 Å²	44	45.4 Å²	45.4	27%	0.267	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	163.7	-176.2	-60.2	0	0	0	0	111.6	G493 V494 Q516 G520	G493-V518 CarbonylContact C-O 3.55Å; V494-V518 HydrophobicContact CB-CG2 3.86Å; V494-V518 WeakPolarHBondContact CB-O 3.28Å; V494-V518 HydrophobicContact CG1-CG2 4.18Å; V494-V518 PolarHBondContact N-O 2.9Å; V494-V518 WeakPolarHBondContact O-CG2 3.28Å; V494-V518 PolarHBondContact O-N 3.31Å; Q516-V518 HydrophobicContact CB-CG1 3.97Å; V518-G520 PolarHBondContact O-N 3.1Å
519	S	76.2	Confident	86.1	Confident	75 Å²	75	44.9 Å²	44.9	52%	0.524	22%	0.222	S	C	.	.	S	Bend	trans	60.8	18.7	179.5	-56.1	0	0	0	0	115	F450 H491	F450-S519 WeakPolarHBondContact CE2-O 3.31Å; H491-S519 WeakPolarHBondContact CB-O 3.43Å; H491-S519 VanDerWaalsContact CD2-C 3.47Å; H491-S519 PolarHBondContact CD2-O 3.48Å
520	G	71.1	Confident	86.6	Confident	13 Å²	13	43.2 Å²	43.2	13%	0.134	21%	0.214	C	C	.	.			trans	147.9	150.1	174.9	0	0	0	0	0	114.7	H491 G493 R517 V518	H491-G520 CarbonylContact O-C 3.53Å; H491-G520 WeakPolarHBondContact O-CA 3.38Å; G493-G520 WeakPolarHBondContact CA-O 3.49Å; G493-G520 PolarHBondContact N-O 3.38Å; R517-G520 WeakPolarHBondContact CG-O 3.42Å; R517-G520 PolarHBondContact NE-O 2.88Å; V518-G520 PolarHBondContact O-N 3.1Å
521	C	77	Confident	86.9	Confident	7 Å²	7	39.1 Å²	39.1	5%	0.047	20%	0.2	C	C	.	.			trans	-129.9	11	-174.9	62.3	0	0	0	0	115.3	H491 R517 D555 T557	H491-C521 PolarHBondContact O-N 2.92Å; R517-C521 VanDerWaalsContact CZ-O 3.22Å; R517-C521 PolarHBondContact NH1-O 3.17Å; R517-C521 VanDerWaalsContact NH2-C 3.34Å; R517-C521 PolarHBondContact NH2-O 2.93Å; C521-D555 PolarHBondContact O-N 3.3Å; C521-T557 HydrophobicContact CB-CG2 3.98Å
522	R	74.7	Confident	87	Confident	118 Å²	118	41.4 Å²	41.4	45%	0.445	21%	0.213	S	C	.	.			trans	-75.5	132.1	-174.9	-162.5	167.2	179.9	149.3	2	113.6	D490 H491 S492 R517	D490-R522 IonicContact OD1-CZ 2.74Å; D490-R522 IonicContact OD1-NH1 3.47Å; D490-R522 PolarHBondContact OD1-NH1 3.35Å; H491-R522 WeakPolarHBondContact O-CB 3.14Å; H491-R522 PolarHBondContact O-N 3.48Å; S492-R522 VanDerWaalsContact CA-O 3.23Å; S492-R522 WeakPolarHBondContact CA-O 3.1Å; S492-R522 VanDerWaalsContact CB-O 3.28Å; S492-R522 WeakPolarHBondContact CB-O 3.08Å; S492-R522 PolarHBondContact OG-O 3.39Å; R517-R522 VanDerWaalsContact NH2-C 3.33Å; R517-R522 PolarHBondContact NH2-O 2.75Å
523	G	77.8	Confident	87	Confident	20 Å²	20	41 Å²	41	21%	0.206	21%	0.212	C	C	.	.	S	Bend	trans	83.6	165.2	178.7	0	0	0	0	0	115.1	R517 N554	R517-G523 PolarHBondContact NH1-O 3.26Å; R517-G523 PolarHBondContact NH2-O 2.9Å; G523-N554 WeakPolarHBondContact CA-OD1 3.14Å; G523-N554 PolarHBondContact N-OD1 3.48Å
524	V	85.2	Confident	86.9	Confident	22 Å²	22	42.1 Å²	42.1	13%	0.133	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	125.6	177.4	-177.6	0	0	0	0	109.4	E551 F552 I587	V524-E551 HydrophobicContact CG1-CG 3.89Å; V524-F552 CarbonylContact C-O 3.6Å; V524-F552 VanDerWaalsContact CA-O 3.28Å; V524-F552 WeakPolarHBondContact CA-O 3.48Å; V524-F552 WeakPolarHBondContact CG1-O 3.36Å; V524-I587 HydrophobicContact CB-CB 4.35Å; V524-I587 HydrophobicContact CG1-CB 4.38Å; V524-I587 HydrophobicContact CG1-CD1 4.16Å; V524-I587 PolarHBondContact O-N 3.3Å
525	V	87.3	Confident	86.7	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	131.7	-177.3	-178.2	0	0	0	0	110.6	F495 F552 P584 V585 L586 P642	F495-V525 HydrophobicContact CD2-CG1 4.48Å; F495-V525 HydrophobicContact CE1-CB 4.42Å; F495-V525 HydrophobicContact CE1-CG1 4.32Å; F495-V525 HydrophobicContact CE2-CB 4.13Å; F495-V525 HydrophobicContact CE2-CG1 3.65Å; F495-V525 HydrophobicContact CE2-CG2 4.16Å; F495-V525 HydrophobicContact CZ-CB 3.59Å; F495-V525 HydrophobicContact CZ-CG1 3.53Å; F495-V525 HydrophobicContact CZ-CG2 3.86Å; V525-F552 PolarHBondContact N-O 3.17Å; V525-F552 PolarHBondContact O-N 3.38Å; V525-P584 HydrophobicContact CG1-CB 3.62Å; V525-V585 WeakPolarHBondContact CA-O 3.29Å; V525-L586 HydrophobicContact CG2-CD1 3.85Å; V525-P642 HydrophobicContact CG1-CB 4.09Å; V525-P642 HydrophobicContact CG1-CG 4.25Å; V525-P642 HydrophobicContact CG2-CB 4Å; V525-P642 HydrophobicContact CG2-CG 4.13Å
526	R	90.3	Very high	86.4	Confident	87 Å²	87	40.8 Å²	40.8	33%	0.328	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.9	166.9	-86	-179.6	-166.3	164.9	5.7	111	Y549 I550 E551 V585 I587	R526-Y549 HydrophobicContact CB-CD2 4.47Å; R526-Y549 HydrophobicContact CG-CD2 3.76Å; R526-Y549 HydrophobicContact CG-CE2 4.16Å; R526-Y549 HydrophobicContact CG-CG 4.49Å; R526-I550 CarbonylContact C-O 3.53Å; R526-I550 WeakPolarHBondContact CA-O 3.28Å; R526-E551 HydrophobicContact CG-CB 4.17Å; R526-E551 HydrophobicContact CG-CG 4.08Å; R526-E551 IonicContact CZ-OE2 2.73Å; R526-E551 VanDerWaalsContact CZ-OE2 3.29Å; R526-E551 IonicContact NE-OE2 2.63Å; R526-E551 PolarHBondContact NE-OE2 2.84Å; R526-E551 IonicContact NH2-OE2 2.77Å; R526-E551 PolarHBondContact NH2-OE2 2.82Å; R526-V585 PolarHBondContact N-O 3.45Å; R526-V585 PolarHBondContact O-N 2.77Å; R526-I587 HydrophobicContact CB-CD1 4.3Å; R526-I587 HydrophobicContact CG-CD1 3.61Å
527	L	92.2	Very high	86.3	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	106.9	179.9	-175.1	71.6	0	0	0	110.4	F495 V515 Y549 I550 F552 L581 G582 P584 L644	F495-L527 HydrophobicContact CB-CD1 3.95Å; F495-L527 HydrophobicContact CB-CD2 3.96Å; F495-L527 HydrophobicContact CD1-CD2 3.99Å; F495-L527 HydrophobicContact CG-CD1 4.24Å; F495-L527 HydrophobicContact CG-CD2 4.24Å; V515-L527 HydrophobicContact CG1-CD2 3.56Å; L527-Y549 CarbonylContact O-C 3.14Å; L527-Y549 VanDerWaalsContact O-CA 3.22Å; L527-Y549 WeakPolarHBondContact O-CA 3.04Å; L527-I550 PolarHBondContact N-O 3.14Å; L527-I550 PolarHBondContact O-N 2.8Å; L527-F552 HydrophobicContact CB-CE2 4.31Å; L527-F552 HydrophobicContact CD2-CE2 4.06Å; L527-L581 HydrophobicContact CD2-CD1 4.16Å; L527-L581 HydrophobicContact CD2-CD2 3.79Å; L527-L581 HydrophobicContact CD2-CG 4.43Å; L527-L581 HydrophobicContact CG-CD2 4.25Å; L527-G582 VanDerWaalsContact CD1-O 3.28Å; L527-G582 WeakPolarHBondContact CD1-O 3.39Å; L527-P584 HydrophobicContact CD1-CB 3.96Å; L527-L644 HydrophobicContact CD1-CD2 3.99Å
528	P	93.3	Very high	86.3	Confident	52 Å²	52	42.2 Å²	42.2	34%	0.338	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	147.7	176	-15.5	29.3	0	0	0	112	G548 G582 E583	P528-G548 CarbonylContact C-O 3.59Å; P528-G548 WeakPolarHBondContact CA-O 3.46Å; P528-G582 PolarHBondContact O-N 3.26Å; P528-E583 WeakPolarHBondContact CD-O 3.21Å
529	Y	94.5	Very high	86.3	Confident	22 Å²	22	43.4 Å²	43.4	9%	0.086	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	157.6	171.4	68.2	-89.9	0	0	0	112.4	M546 G548 I550 I561 Q580	Y529-M546 HydrophobicContact CE2-CB 4.45Å; Y529-M546 HydrophobicContact CE2-CG 3.95Å; Y529-M546 HydrophobicContact CE2-SD 3.85Å; Y529-M546 VanDerWaalsContact OH-CE 3.23Å; Y529-M546 WeakPolarHBondContact OH-CE 3.19Å; Y529-M546 PolarHBondContact OH-SD 3.19Å; Y529-G548 PolarHBondContact N-O 3.33Å; Y529-G548 PolarHBondContact O-N 2.91Å; Y529-I550 HydrophobicContact CD1-CD1 4.38Å; Y529-I550 HydrophobicContact CD1-CG1 3.75Å; Y529-I550 HydrophobicContact CE1-CG1 3.69Å; Y529-I561 HydrophobicContact CD1-CD1 4.01Å; Y529-I561 HydrophobicContact CD1-CG1 4.24Å; Y529-I561 HydrophobicContact CD2-CD1 3.93Å; Y529-I561 HydrophobicContact CD2-CG1 4.47Å; Y529-I561 HydrophobicContact CD2-CG2 3.92Å; Y529-I561 HydrophobicContact CE1-CG1 4.31Å; Y529-I561 HydrophobicContact CE1-CG2 4.44Å; Y529-I561 HydrophobicContact CE2-CD1 4.47Å; Y529-I561 HydrophobicContact CE2-CG2 3.49Å; Y529-I561 VanDerWaalsContact CE2-CG2 3.49Å; Y529-I561 HydrophobicContact CG-CD1 3.67Å; Y529-I561 HydrophobicContact CG-CG1 4.32Å; Y529-Q580 CarbonylContact C-O 3.53Å; Y529-Q580 VanDerWaalsContact CA-O 3.24Å; Y529-Q580 WeakPolarHBondContact CA-O 3.34Å
530	Q	93.2	Very high	86.6	Confident	86 Å²	86	41.2 Å²	41.2	40%	0.402	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	149.3	176	65.3	-178.5	10.7	0	0	112.5	M546 V547 V579 Q580	Q530-M546 WeakPolarHBondContact CA-O 3.32Å; Q530-V547 HydrophobicContact CB-CG1 4.46Å; Q530-V547 HydrophobicContact CB-CG2 4.11Å; Q530-V579 WeakPolarHBondContact O-CA 3.41Å; Q530-Q580 HydrophobicContact CG-CB 4.34Å; Q530-Q580 PolarHBondContact N-O 3.34Å; Q530-Q580 PolarHBondContact O-N 2.87Å
531	T	93.5	Very high	87.2	Confident	16 Å²	16	46.4 Å²	46.4	10%	0.098	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	146.3	168.6	56.1	0	0	0	0	111.7	F543 D545 M546 I563 Y578 V579	T531-F543 HydrophobicContact CG2-CE2 4.4Å; T531-D545 WeakPolarHBondContact OG1-CA 3.34Å; T531-D545 PolarHBondContact OG1-OD1 3.34Å; T531-M546 HydrophobicContact CG2-CB 4.11Å; T531-M546 PolarHBondContact N-O 3.31Å; T531-M546 PolarHBondContact OG1-N 2.57Å; T531-M546 PolarHBondContact OG1-O 3.26Å; T531-I563 HydrophobicContact CG2-CD1 3.48Å; T531-I563 VanDerWaalsContact CG2-CD1 3.48Å; T531-I563 HydrophobicContact CG2-CG1 4.28Å; T531-Y578 CarbonylContact C-O 3.58Å; T531-Y578 WeakPolarHBondContact CA-O 3.47Å; T531-V579 HydrophobicContact CG2-CG2 4.43Å
532	V	92.8	Very high	87.5	Confident	49 Å²	49	46.3 Å²	46.3	30%	0.297	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	125.6	176.7	-178.1	0	0	0	0	109	Y578	V532-Y578 PolarHBondContact N-O 2.89Å; V532-Y578 PolarHBondContact O-N 3.26Å
533	E	91.1	Very high	88.3	Confident	87 Å²	87	40.7 Å²	40.7	41%	0.407	24%	0.238	S	C	.	.			trans	-58.3	144.8	178.5	-62.8	-162.9	154	0	0	112.6	K537 G538 F543	E533-K537 WeakPolarHBondContact OE2-CD 3.32Å; E533-K537 IonicContact OE2-NZ 3.8Å; E533-K537 PolarHBondContact OE2-NZ 3.17Å; E533-G538 PolarHBondContact OE1-N 2.9Å; E533-F543 HydrophobicContact CG-CZ 4.35Å
534	G	89.5	Confident	88.9	Confident	23 Å²	23	43.7 Å²	43.7	24%	0.237	25%	0.246	C	C	.	.	S	Bend	trans	-121.7	-122.5	170.2	0	0	0	0	0	110.3	A536 Y576	G534-A536 PolarHBondContact N-O 3.07Å; G534-Y576 CarbonylContact C-O 3.38Å; G534-Y576 VanDerWaalsContact CA-O 3.22Å; G534-Y576 WeakPolarHBondContact CA-O 3.36Å
535	T	87.6	Confident	89	Confident	68 Å²	68	46.7 Å²	46.7	42%	0.417	26%	0.262	S	S	.	.	S	Bend	trans	-77.9	-31.4	165.7	57.6	0	0	0	0	111.4	E575 Y576	T535-E575 WeakPolarHBondContact OG1-CA 3.41Å; T535-Y576 HydrophobicContact CG2-CD1 4.22Å; T535-Y576 HydrophobicContact CG2-CE1 3.57Å; T535-Y576 PolarHBondContact N-O 3.12Å; T535-Y576 WeakPolarHBondContact OG1-CD1 3.27Å; T535-Y576 PolarHBondContact OG1-N 3.23Å
536	A	87.5	Confident	89.1	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.279	C	S	.	.	S	Bend	trans	-73.3	140.2	168.6	0	0	0	0	0	109.8	G534 D542 F543 E575 Y576 F577 I654	G534-A536 PolarHBondContact N-O 3.07Å; A536-D542 HydrophobicContact CB-CB 4.03Å; A536-F543 HydrophobicContact CB-CD1 4.16Å; A536-F543 HydrophobicContact CB-CE1 4.16Å; A536-E575 HydrophobicContact CB-CB 3.9Å; A536-Y576 WeakPolarHBondContact CB-O 3.31Å; A536-Y576 PolarHBondContact N-O 3.46Å; A536-F577 HydrophobicContact CB-CB 4.3Å; A536-F577 HydrophobicContact CB-CD1 4.45Å; A536-I654 HydrophobicContact CB-CD1 4.27Å
537	K	87.9	Confident	89.2	Confident	88 Å²	88	51.7 Å²	51.7	38%	0.383	30%	0.298	S	S	.	.			trans	-102.7	138	-177.2	-66.3	-50.9	-165.3	-178.4	0	112.1	E533 K541 D542 F543	E533-K537 WeakPolarHBondContact OE2-CD 3.32Å; E533-K537 IonicContact OE2-NZ 3.8Å; E533-K537 PolarHBondContact OE2-NZ 3.17Å; K537-K541 HydrophobicContact CB-CB 4.47Å; K537-K541 HydrophobicContact CB-CD 4.11Å; K537-D542 WeakPolarHBondContact CA-OD2 3.45Å; K537-D542 WeakPolarHBondContact CB-OD2 3.21Å; K537-D542 PolarHBondContact N-OD2 3.41Å; K537-D542 WeakPolarHBondContact O-CB 3.45Å; K537-D542 PolarHBondContact O-N 2.92Å; K537-D542 VanDerWaalsContact O-N 3.11Å; K537-F543 VanDerWaalsContact C-CE1 3.5Å; K537-F543 PolarHBondContact O-N 3.49Å
538	G	86.4	Confident	89.1	Confident	9 Å²	9	52.9 Å²	52.9	9%	0.093	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-161.6	175.7	0	0	0	0	0	112.5	E533 G540 K541 F543 D545	E533-G538 PolarHBondContact OE1-N 2.9Å; G538-G540 VanDerWaalsContact C-N 3.3Å; G538-G540 PolarHBondContact O-N 3.31Å; G538-K541 PolarHBondContact O-N 3.44Å; G538-F543 CarbonylContact C-O 3.53Å; G538-D545 WeakPolarHBondContact CA-OD2 3.44Å
539	G	83	Confident	88.9	Confident	70 Å²	70	56.9 Å²	56.9	72%	0.722	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	17.4	178.2	0	0	0	0	0	115.1	D545	G539-D545 PolarHBondContact N-OD2 2.97Å
540	G	82.3	Confident	88.8	Confident	28 Å²	28	56.7 Å²	56.7	29%	0.289	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	17.7	-178.1	0	0	0	0	0	114	G538 F543	G538-G540 VanDerWaalsContact C-N 3.3Å; G538-G540 PolarHBondContact O-N 3.31Å; G540-F543 WeakPolarHBondContact CA-O 3.44Å; G540-F543 PolarHBondContact N-O 3.08Å
541	K	83.4	Confident	88.6	Confident	123 Å²	123	55.7 Å²	55.7	54%	0.535	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-62.8	173.2	-169	-171.8	160	-142.2	0	111	K537 G538 M566	K537-K541 HydrophobicContact CB-CB 4.47Å; K537-K541 HydrophobicContact CB-CD 4.11Å; G538-K541 PolarHBondContact O-N 3.44Å; K541-M566 WeakPolarHBondContact O-CB 3.13Å
542	D	85	Confident	88.4	Confident	5 Å²	5	55 Å²	55	3%	0.027	31%	0.311	C	S	.	.	S	Bend	trans	-109.5	-31.1	178.4	-45.9	-35.5	0	0	0	110	A536 K537 M566	A536-D542 HydrophobicContact CB-CB 4.03Å; K537-D542 WeakPolarHBondContact CA-OD2 3.45Å; K537-D542 WeakPolarHBondContact CB-OD2 3.21Å; K537-D542 PolarHBondContact N-OD2 3.41Å; K537-D542 WeakPolarHBondContact O-CB 3.45Å; K537-D542 PolarHBondContact O-N 2.92Å; K537-D542 VanDerWaalsContact O-N 3.11Å; D542-M566 PolarHBondContact O-N 3.44Å
543	F	90.5	Very high	88.1	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-149.3	162.6	169.8	67.2	-82.2	0	0	0	111.7	T531 E533 A536 K537 G538 G540 D545 I563 R564 F577	T531-F543 HydrophobicContact CG2-CE2 4.4Å; E533-F543 HydrophobicContact CG-CZ 4.35Å; A536-F543 HydrophobicContact CB-CD1 4.16Å; A536-F543 HydrophobicContact CB-CE1 4.16Å; K537-F543 VanDerWaalsContact C-CE1 3.5Å; K537-F543 PolarHBondContact O-N 3.49Å; G538-F543 CarbonylContact C-O 3.53Å; G540-F543 WeakPolarHBondContact CA-O 3.44Å; G540-F543 PolarHBondContact N-O 3.08Å; F543-D545 WeakPolarHBondContact CE2-OD1 3.43Å; F543-I563 HydrophobicContact CB-CG2 4.42Å; F543-I563 HydrophobicContact CD2-CG2 4.34Å; F543-R564 WeakPolarHBondContact CA-O 3.33Å; F543-F577 HydrophobicContact CB-CE1 4.28Å; F543-F577 HydrophobicContact CB-CZ 4.42Å; F543-F577 HydrophobicContact CD1-CB 4.02Å; F543-F577 AromaticContact CD1-CD1 3.8Å; F543-F577 HydrophobicContact CD1-CD1 3.8Å; F543-F577 HydrophobicContact CD1-CD2 4.37Å; F543-F577 HydrophobicContact CD1-CE1 4.34Å; F543-F577 AromaticContact CD1-CG 3.82Å; F543-F577 HydrophobicContact CD1-CG 3.82Å; F543-F577 HydrophobicContact CD2-CD2 4.15Å; F543-F577 HydrophobicContact CD2-CE2 4.26Å; F543-F577 HydrophobicContact CD2-CG 4.42Å; F543-F577 HydrophobicContact CE1-CB 3.49Å; F543-F577 VanDerWaalsContact CE1-CB 3.49Å; F543-F577 HydrophobicContact CE1-CD1 4.19Å; F543-F577 HydrophobicContact CE1-CD2 4.32Å; F543-F577 AromaticContact CE1-CG 3.77Å; F543-F577 HydrophobicContact CE1-CG 3.77Å; F543-F577 HydrophobicContact CE2-CD2 4.11Å; F543-F577 HydrophobicContact CE2-CG 4.39Å; F543-F577 HydrophobicContact CG-CD1 4.14Å; F543-F577 HydrophobicContact CG-CD2 4.3Å; F543-F577 HydrophobicContact CG-CE1 4.25Å; F543-F577 HydrophobicContact CG-CE2 4.4Å; F543-F577 HydrophobicContact CG-CG 4.16Å; F543-F577 HydrophobicContact CG-CZ 4.38Å; F543-F577 HydrophobicContact CZ-CB 3.82Å; F543-F577 HydrophobicContact CZ-CD2 4.2Å; F543-F577 HydrophobicContact CZ-CG 4.08Å
544	E	89.7	Confident	87.6	Confident	82 Å²	82	56.4 Å²	56.4	38%	0.383	32%	0.317	S	S	.	.			trans	-86	124.7	170.9	-73.1	-178	-177.6	0	0	111	M546 R564	E544-M546 PolarHBondContact O-N 3.41Å; E544-R564 HydrophobicContact CB-CB 4.3Å; E544-R564 VanDerWaalsContact CD-CD 3.45Å; E544-R564 HydrophobicContact CG-CB 4.29Å; E544-R564 PolarHBondContact N-O 3.13Å; E544-R564 VanDerWaalsContact N-O 3.12Å; E544-R564 VanDerWaalsContact OE1-CD 3.26Å; E544-R564 WeakPolarHBondContact OE1-CD 3.14Å; E544-R564 IonicContact OE1-CZ 3.19Å; E544-R564 IonicContact OE1-NE 2.69Å; E544-R564 IonicContact OE1-NH1 3.39Å; E544-R564 PolarHBondContact OE1-NH1 3.38Å
545	D	89.3	Confident	87.1	Confident	85 Å²	85	59.1 Å²	59.1	46%	0.455	33%	0.326	S	S	.	.			trans	-64.1	135	175.2	-68.5	-60.3	0	0	0	111.5	T531 G538 G539 F543	T531-D545 WeakPolarHBondContact OG1-CA 3.34Å; T531-D545 PolarHBondContact OG1-OD1 3.34Å; G538-D545 WeakPolarHBondContact CA-OD2 3.44Å; G539-D545 PolarHBondContact N-OD2 2.97Å; F543-D545 WeakPolarHBondContact CE2-OD1 3.43Å
546	M	88.6	Confident	86.8	Confident	73 Å²	73	58.9 Å²	58.9	36%	0.36	32%	0.32	S	S	.	.			trans	-136.2	130.3	-176.8	-161.9	177.8	-160.4	0	0	111.2	Y529 Q530 T531 E544	Y529-M546 HydrophobicContact CE2-CB 4.45Å; Y529-M546 HydrophobicContact CE2-CG 3.95Å; Y529-M546 HydrophobicContact CE2-SD 3.85Å; Y529-M546 VanDerWaalsContact OH-CE 3.23Å; Y529-M546 WeakPolarHBondContact OH-CE 3.19Å; Y529-M546 PolarHBondContact OH-SD 3.19Å; Q530-M546 WeakPolarHBondContact CA-O 3.32Å; T531-M546 HydrophobicContact CG2-CB 4.11Å; T531-M546 PolarHBondContact N-O 3.31Å; T531-M546 PolarHBondContact OG1-N 2.57Å; T531-M546 PolarHBondContact OG1-O 3.26Å; E544-M546 PolarHBondContact O-N 3.41Å
547	V	91.7	Very high	86.7	Confident	119 Å²	119	62.5 Å²	62.5	72%	0.721	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.1	124.4	170.3	-177.6	0	0	0	0	107.5	Q530	Q530-V547 HydrophobicContact CB-CG1 4.46Å; Q530-V547 HydrophobicContact CB-CG2 4.11Å
548	G	90.6	Very high	86.7	Confident	26 Å²	26	63.2 Å²	63.2	27%	0.268	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	-166.4	-173	0	0	0	0	0	113.4	P528 Y529	P528-G548 CarbonylContact C-O 3.59Å; P528-G548 WeakPolarHBondContact CA-O 3.46Å; Y529-G548 PolarHBondContact N-O 3.33Å; Y529-G548 PolarHBondContact O-N 2.91Å
549	Y	89.7	Confident	86.9	Confident	135 Å²	135	63 Å²	63	53%	0.529	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	147.8	171.4	59.4	-93.5	0	0	0	110.2	R526 L527	R526-Y549 HydrophobicContact CB-CD2 4.47Å; R526-Y549 HydrophobicContact CG-CD2 3.76Å; R526-Y549 HydrophobicContact CG-CE2 4.16Å; R526-Y549 HydrophobicContact CG-CG 4.49Å; L527-Y549 CarbonylContact O-C 3.14Å; L527-Y549 VanDerWaalsContact O-CA 3.22Å; L527-Y549 WeakPolarHBondContact O-CA 3.04Å
550	I	91.5	Very high	87.3	Confident	19 Å²	19	62.6 Å²	62.6	10%	0.097	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.9	167.3	-50.8	173.1	0	0	0	107.1	V515 R526 L527 Y529 F552 I561	V515-I550 HydrophobicContact CB-CD1 4.22Å; V515-I550 HydrophobicContact CG2-CD1 3.75Å; R526-I550 CarbonylContact C-O 3.53Å; R526-I550 WeakPolarHBondContact CA-O 3.28Å; L527-I550 PolarHBondContact N-O 3.14Å; L527-I550 PolarHBondContact O-N 2.8Å; Y529-I550 HydrophobicContact CD1-CD1 4.38Å; Y529-I550 HydrophobicContact CD1-CG1 3.75Å; Y529-I550 HydrophobicContact CE1-CG1 3.69Å; I550-F552 HydrophobicContact CB-CD2 4.4Å; I550-F552 HydrophobicContact CB-CE2 4.04Å; I550-F552 HydrophobicContact CG2-CD2 3.95Å; I550-F552 HydrophobicContact CG2-CE2 3.66Å; I550-F552 HydrophobicContact CG2-CZ 4.35Å; I550-I561 HydrophobicContact CD1-CD1 3.82Å; I550-I561 HydrophobicContact CD1-CG1 3.22Å; I550-I561 HydrophobicContact CG1-CG1 3.92Å
551	E	89.9	Confident	87.8	Confident	65 Å²	65	61.3 Å²	61.3	30%	0.304	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	115.5	171.8	-169.9	172.3	110.7	0	0	108.7	V524 R526 Q553	V524-E551 HydrophobicContact CG1-CG 3.89Å; R526-E551 HydrophobicContact CG-CB 4.17Å; R526-E551 HydrophobicContact CG-CG 4.08Å; R526-E551 IonicContact CZ-OE2 2.73Å; R526-E551 VanDerWaalsContact CZ-OE2 3.29Å; R526-E551 IonicContact NE-OE2 2.63Å; R526-E551 PolarHBondContact NE-OE2 2.84Å; R526-E551 IonicContact NH2-OE2 2.77Å; R526-E551 PolarHBondContact NH2-OE2 2.82Å; E551-Q553 PolarHBondContact OE1-NE2 3.37Å
552	F	89.2	Confident	88.2	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	120.4	170.4	-73	-104.5	0	0	0	108.2	F495 V515 R517 V524 V525 L527 I550 Q556 E558	F495-F552 HydrophobicContact CD1-CD2 4.03Å; F495-F552 HydrophobicContact CD1-CE1 4.35Å; F495-F552 AromaticContact CD1-CE2 3.76Å; F495-F552 HydrophobicContact CD1-CE2 3.76Å; F495-F552 HydrophobicContact CD1-CG 4.45Å; F495-F552 AromaticContact CD1-CZ 3.93Å; F495-F552 HydrophobicContact CD1-CZ 3.93Å; F495-F552 HydrophobicContact CE1-CB 4.16Å; F495-F552 AromaticContact CE1-CD1 3.88Å; F495-F552 HydrophobicContact CE1-CD1 3.88Å; F495-F552 AromaticContact CE1-CD2 3.47Å; F495-F552 HydrophobicContact CE1-CD2 3.47Å; F495-F552 VanDerWaalsContact CE1-CD2 3.47Å; F495-F552 HydrophobicContact CE1-CE1 4.05Å; F495-F552 AromaticContact CE1-CE2 3.69Å; F495-F552 HydrophobicContact CE1-CE2 3.69Å; F495-F552 AromaticContact CE1-CG 3.58Å; F495-F552 HydrophobicContact CE1-CG 3.58Å; F495-F552 AromaticContact CE1-CZ 3.97Å; F495-F552 HydrophobicContact CE1-CZ 3.97Å; F495-F552 HydrophobicContact CZ-CD2 4.48Å; F495-F552 HydrophobicContact CZ-CG 4.42Å; V515-F552 HydrophobicContact CB-CZ 4.14Å; V515-F552 HydrophobicContact CG1-CE2 4.44Å; V515-F552 HydrophobicContact CG1-CZ 3.98Å; R517-F552 HydrophobicContact CB-CD1 4.12Å; R517-F552 HydrophobicContact CB-CE1 3.97Å; V524-F552 CarbonylContact C-O 3.6Å; V524-F552 VanDerWaalsContact CA-O 3.28Å; V524-F552 WeakPolarHBondContact CA-O 3.48Å; V524-F552 WeakPolarHBondContact CG1-O 3.36Å; V525-F552 PolarHBondContact N-O 3.17Å; V525-F552 PolarHBondContact O-N 3.38Å; L527-F552 HydrophobicContact CB-CE2 4.31Å; L527-F552 HydrophobicContact CD2-CE2 4.06Å; I550-F552 HydrophobicContact CB-CD2 4.4Å; I550-F552 HydrophobicContact CB-CE2 4.04Å; I550-F552 HydrophobicContact CG2-CD2 3.95Å; I550-F552 HydrophobicContact CG2-CE2 3.66Å; I550-F552 HydrophobicContact CG2-CZ 4.35Å; F552-Q556 HydrophobicContact CB-CB 4.48Å; F552-Q556 HydrophobicContact CD1-CB 4.4Å; F552-Q556 HydrophobicContact CD1-CG 4.06Å; F552-E558 VanDerWaalsContact CE1-C 3.44Å
553	Q	86.9	Confident	88.5	Confident	88 Å²	88	62.2 Å²	62.2	41%	0.411	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-71.2	171.2	172.4	-60.8	-58.3	-36.6	0	0	111	R517 E551 D555 Q556	R517-Q553 PolarHBondContact NH1-O 2.77Å; E551-Q553 PolarHBondContact OE1-NE2 3.37Å; Q553-D555 PolarHBondContact O-N 2.95Å; Q553-Q556 HydrophobicContact CB-CB 4.35Å; Q553-Q556 WeakPolarHBondContact O-CB 3.47Å; Q553-Q556 PolarHBondContact O-N 2.89Å
554	N	80.4	Confident	88.4	Confident	79 Å²	79	66.7 Å²	66.7	42%	0.422	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	136.9	167	-159.3	76.1	0	0	0	109	G523 Q556	G523-N554 WeakPolarHBondContact CA-OD1 3.14Å; G523-N554 PolarHBondContact N-OD1 3.48Å; N554-Q556 PolarHBondContact O-N 3.28Å; N554-Q556 VanDerWaalsContact O-N 3.15Å
555	D	77.4	Confident	88.4	Confident	80 Å²	80	63.1 Å²	63.1	43%	0.428	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	11.3	179.4	-41.5	-42.1	0	0	0	115.1	C521 Q553	C521-D555 PolarHBondContact O-N 3.3Å; Q553-D555 PolarHBondContact O-N 2.95Å
556	Q	82.9	Confident	88.1	Confident	62 Å²	62	61.9 Å²	61.9	29%	0.29	31%	0.307	S	S	.	.			trans	-88.3	115.8	174.7	-170.6	178.7	-11.6	0	0	110.6	R517 F552 Q553 N554 E558	R517-Q556 WeakPolarHBondContact CD-O 3.32Å; R517-Q556 PolarHBondContact NH1-O 3.35Å; F552-Q556 HydrophobicContact CB-CB 4.48Å; F552-Q556 HydrophobicContact CD1-CB 4.4Å; F552-Q556 HydrophobicContact CD1-CG 4.06Å; Q553-Q556 HydrophobicContact CB-CB 4.35Å; Q553-Q556 WeakPolarHBondContact O-CB 3.47Å; Q553-Q556 PolarHBondContact O-N 2.89Å; N554-Q556 PolarHBondContact O-N 3.28Å; N554-Q556 VanDerWaalsContact O-N 3.15Å; Q556-E558 WeakPolarHBondContact CG-O 3.49Å; Q556-E558 PolarHBondContact NE2-O 3.45Å
557	T	84	Confident	87.6	Confident	77 Å²	77	61.8 Å²	61.8	47%	0.472	31%	0.308	S	S	.	.			trans	-97	-18	-178.3	54	0	0	0	0	114.2	R517 C521	R517-T557 WeakPolarHBondContact CB-O 3.47Å; R517-T557 PolarHBondContact N-O 2.64Å; C521-T557 HydrophobicContact CB-CG2 3.98Å
558	E	88.8	Confident	86.5	Confident	103 Å²	103	58.8 Å²	58.8	48%	0.481	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	145.9	177.9	63.5	171.7	-179.2	0	0	112.7	K514 V515 F552 Q556	K514-E558 IonicContact NZ-OE2 3.81Å; K514-E558 PolarHBondContact NZ-OE2 2.75Å; V515-E558 WeakPolarHBondContact O-CA 3.13Å; F552-E558 VanDerWaalsContact CE1-C 3.44Å; Q556-E558 WeakPolarHBondContact CG-O 3.49Å; Q556-E558 PolarHBondContact NE2-O 3.45Å
559	G	89.9	Confident	85.2	Confident	4 Å²	4	60.6 Å²	60.6	4%	0.041	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	143.1	173.3	0	0	0	0	0	109.3	V515	V515-G559 PolarHBondContact N-O 3.35Å; V515-G559 PolarHBondContact O-N 3.5Å
560	T	91.6	Very high	83.9	Confident	61 Å²	61	58.1 Å²	58.1	37%	0.374	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.8	179.6	-57.7	0	0	0	0	110	E512 I513 R562	E512-T560 HydrophobicContact CB-CG2 3.86Å; E512-T560 HydrophobicContact CG-CG2 4.29Å; I513-T560 WeakPolarHBondContact O-CA 3.47Å; T560-R562 HydrophobicContact CG2-CG 4.22Å
561	I	92.3	Very high	82.3	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	127.5	165.5	-53	172.1	0	0	0	107.1	F497 I513 V515 Y529 I550 I563 V579 L581	F497-I561 HydrophobicContact CE1-CD1 4.1Å; I513-I561 HydrophobicContact CB-CB 4.24Å; I513-I561 HydrophobicContact CD1-CB 4.38Å; I513-I561 HydrophobicContact CD1-CG2 4.43Å; I513-I561 PolarHBondContact N-O 3.43Å; I513-I561 PolarHBondContact O-N 2.83Å; V515-I561 HydrophobicContact CG2-CD1 3.89Å; V515-I561 HydrophobicContact CG2-CG1 4.1Å; Y529-I561 HydrophobicContact CD1-CD1 4.01Å; Y529-I561 HydrophobicContact CD1-CG1 4.24Å; Y529-I561 HydrophobicContact CD2-CD1 3.93Å; Y529-I561 HydrophobicContact CD2-CG1 4.47Å; Y529-I561 HydrophobicContact CD2-CG2 3.92Å; Y529-I561 HydrophobicContact CE1-CG1 4.31Å; Y529-I561 HydrophobicContact CE1-CG2 4.44Å; Y529-I561 HydrophobicContact CE2-CD1 4.47Å; Y529-I561 HydrophobicContact CE2-CG2 3.49Å; Y529-I561 VanDerWaalsContact CE2-CG2 3.49Å; Y529-I561 HydrophobicContact CG-CD1 3.67Å; Y529-I561 HydrophobicContact CG-CG1 4.32Å; I550-I561 HydrophobicContact CD1-CD1 3.82Å; I550-I561 HydrophobicContact CD1-CG1 3.22Å; I550-I561 HydrophobicContact CG1-CG1 3.92Å; I561-I563 HydrophobicContact CG2-CD1 4.37Å; I561-I563 HydrophobicContact CG2-CG1 3.95Å; I561-V579 HydrophobicContact CD1-CG1 4.07Å; I561-L581 HydrophobicContact CD1-CD2 4.35Å
562	R	91.6	Very high	80.9	Confident	146 Å²	146	62.6 Å²	62.6	55%	0.551	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	112.9	172.9	-69.7	-174.9	168	168.9	-1.8	109	Y510 E512 T560	Y510-R562 HydrophobicContact CD1-CB 4.1Å; Y510-R562 HydrophobicContact CG-CB 4.48Å; E512-R562 HydrophobicContact CG-CG 4.33Å; E512-R562 IonicContact OE1-CZ 3.7Å; E512-R562 IonicContact OE1-NE 3.65Å; E512-R562 PolarHBondContact OE1-NE 3.14Å; E512-R562 IonicContact OE1-NH2 2.99Å; E512-R562 PolarHBondContact OE1-NH2 3.2Å; T560-R562 HydrophobicContact CG2-CG 4.22Å
563	I	91.5	Very high	79.8	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.005	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.9	172.9	-60.9	174.7	0	0	0	107.6	Y510 A511 I513 T531 F543 I561 V565 F577 V579 I652	Y510-I563 CarbonylContact C-O 3.58Å; Y510-I563 VanDerWaalsContact CA-O 3.31Å; Y510-I563 WeakPolarHBondContact CA-O 3.45Å; A511-I563 PolarHBondContact N-O 3.16Å; A511-I563 PolarHBondContact O-N 3.44Å; A511-I563 VanDerWaalsContact O-N 3.11Å; I513-I563 HydrophobicContact CD1-CB 4.38Å; I513-I563 HydrophobicContact CD1-CD1 3.54Å; I513-I563 HydrophobicContact CD1-CG1 3.87Å; T531-I563 HydrophobicContact CG2-CD1 3.48Å; T531-I563 VanDerWaalsContact CG2-CD1 3.48Å; T531-I563 HydrophobicContact CG2-CG1 4.28Å; F543-I563 HydrophobicContact CB-CG2 4.42Å; F543-I563 HydrophobicContact CD2-CG2 4.34Å; I561-I563 HydrophobicContact CG2-CD1 4.37Å; I561-I563 HydrophobicContact CG2-CG1 3.95Å; I563-V565 PolarHBondContact O-N 3.36Å; I563-F577 HydrophobicContact CD1-CE2 3.86Å; I563-F577 HydrophobicContact CD1-CZ 4.48Å; I563-F577 HydrophobicContact CG2-CE2 4.15Å; I563-F577 HydrophobicContact CG2-CZ 4.13Å; I563-V579 HydrophobicContact CD1-CB 4.47Å; I563-V579 HydrophobicContact CD1-CG1 4.38Å; I563-V579 HydrophobicContact CD1-CG2 3.26Å; I563-I652 HydrophobicContact CD1-CD1 4.5Å
564	R	89.7	Confident	79.5	Confident	94 Å²	94	68.9 Å²	68.9	36%	0.355	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	125.3	178.3	-163.5	-172.8	-175.6	-177.3	0.2	110.2	E509 Y510 F543 E544	E509-R564 WeakPolarHBondContact O-CA 3.32Å; E509-R564 WeakPolarHBondContact O-CG 3.5Å; Y510-R564 HydrophobicContact CD1-CB 4.17Å; Y510-R564 HydrophobicContact CD1-CG 4.44Å; Y510-R564 HydrophobicContact CE1-CB 4.03Å; Y510-R564 HydrophobicContact CE1-CG 4.09Å; F543-R564 WeakPolarHBondContact CA-O 3.33Å; E544-R564 HydrophobicContact CB-CB 4.3Å; E544-R564 VanDerWaalsContact CD-CD 3.45Å; E544-R564 HydrophobicContact CG-CB 4.29Å; E544-R564 PolarHBondContact N-O 3.13Å; E544-R564 VanDerWaalsContact N-O 3.12Å; E544-R564 VanDerWaalsContact OE1-CD 3.26Å; E544-R564 WeakPolarHBondContact OE1-CD 3.14Å; E544-R564 IonicContact OE1-CZ 3.19Å; E544-R564 IonicContact OE1-NE 2.69Å; E544-R564 IonicContact OE1-NH1 3.39Å; E544-R564 PolarHBondContact OE1-NH1 3.38Å
565	V	88.5	Confident	79.8	Confident	6 Å²	6	66.8 Å²	66.8	4%	0.036	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-100	137.6	174.8	179.1	0	0	0	0	108.1	V504 E509 A511 I563 I654	V504-V565 HydrophobicContact CG2-CG2 4.48Å; E509-V565 PolarHBondContact O-N 3.03Å; E509-V565 VanDerWaalsContact O-N 3.1Å; A511-V565 HydrophobicContact CB-CG2 3.81Å; I563-V565 PolarHBondContact O-N 3.36Å; V565-I654 HydrophobicContact CG1-CD1 4.08Å; V565-I654 HydrophobicContact CG1-CG1 4.35Å
566	M	83.1	Confident	80.5	Confident	60 Å²	60	66.2 Å²	66.2	30%	0.296	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-100.9	118.8	-177.9	-63.1	-62.1	-68.2	0	0	109.4	K541 D542 D568	K541-M566 WeakPolarHBondContact O-CB 3.13Å; D542-M566 PolarHBondContact O-N 3.44Å; M566-D568 PolarHBondContact O-N 2.93Å; M566-D568 VanDerWaalsContact O-N 3.17Å
567	D	77.7	Confident	81	Confident	71 Å²	71	63.3 Å²	63.3	38%	0.38	31%	0.309	S	S	.	.			trans	-77.4	96.6	173.9	-176.9	-2	0	0	0	109.8	N569	D567-N569 VanDerWaalsContact C-N 3.31Å; D567-N569 WeakPolarHBondContact OD1-CA 3.49Å; D567-N569 VanDerWaalsContact OD1-CG 3.32Å; D567-N569 PolarHBondContact OD1-N 3.22Å; D567-N569 PolarHBondContact OD1-ND2 3.46Å
568	D	70.1	Confident	81.4	Confident	56 Å²	56	62 Å²	62	30%	0.299	30%	0.296	S	S	.	.			trans	-87.6	0	175.6	80.4	-8.7	0	0	0	113.3	M566 N570	M566-D568 PolarHBondContact O-N 2.93Å; M566-D568 VanDerWaalsContact O-N 3.17Å; D568-N570 PolarHBondContact O-N 2.52Å; D568-N570 WeakPolarHBondContact OD1-CB 3.35Å; D568-N570 PolarHBondContact OD1-N 2.91Å; D568-N570 PolarHBondContact OD2-ND2 3.4Å
569	N	62.9	Low	81.7	Confident	64 Å²	64	57.1 Å²	57.1	34%	0.342	27%	0.273	S	S	.	.			trans	53	31.8	-177.2	-77.2	-92.7	0	0	0	114.4	K298 D567	K298-N569 VanDerWaalsContact CE-O 3.22Å; K298-N569 WeakPolarHBondContact CE-O 3.1Å; K298-N569 PolarHBondContact NZ-O 3.29Å; D567-N569 VanDerWaalsContact C-N 3.31Å; D567-N569 WeakPolarHBondContact OD1-CA 3.49Å; D567-N569 VanDerWaalsContact OD1-CG 3.32Å; D567-N569 PolarHBondContact OD1-N 3.22Å; D567-N569 PolarHBondContact OD1-ND2 3.46Å
570	N	61.1	Low	81.8	Confident	83 Å²	83	60.5 Å²	60.5	44%	0.444	29%	0.288	S	S	.	.			trans	-82.2	125.9	176.6	-80.9	-29.5	0	0	0	112.7	D568	D568-N570 PolarHBondContact O-N 2.52Å; D568-N570 WeakPolarHBondContact OD1-CB 3.35Å; D568-N570 PolarHBondContact OD1-N 2.91Å; D568-N570 PolarHBondContact OD2-ND2 3.4Å
571	Y	59.6	Low	81.9	Confident	39 Å²	39	57.9 Å²	57.9	15%	0.153	27%	0.272	C	S	.	.	S	Bend	trans	-82.3	144	-178.2	-163.8	-108.3	0	0	0	111.3	R290 M291 V294 K573 E656 F660	R290-Y571 PolarHBondContact NE-OH 3.36Å; R290-Y571 PolarHBondContact NH2-OH 3.23Å; R290-Y571 VanDerWaalsContact NH2-OH 3.12Å; M291-Y571 HydrophobicContact CE-CD1 3.74Å; M291-Y571 HydrophobicContact CE-CE1 3.41Å; M291-Y571 VanDerWaalsContact CE-CE1 3.41Å; M291-Y571 HydrophobicContact SD-CD1 4.25Å; M291-Y571 HydrophobicContact SD-CE1 4.4Å; V294-Y571 HydrophobicContact CG1-CD2 3.75Å; V294-Y571 HydrophobicContact CG1-CE2 4.12Å; V294-Y571 HydrophobicContact CG1-CG 4.16Å; V294-Y571 HydrophobicContact CG2-CD2 4.13Å; V294-Y571 HydrophobicContact CG2-CE2 3.63Å; Y571-K573 VanDerWaalsContact C-N 3.31Å; Y571-K573 PolarHBondContact O-N 3.33Å; Y571-E656 WeakPolarHBondContact CE2-OE1 3.3Å; Y571-F660 HydrophobicContact CE2-CE1 4.35Å
572	E	59.8	Low	81.8	Confident	139 Å²	139	59 Å²	59	65%	0.65	28%	0.284	S	S	*	.	S	Bend	trans	69	-5.8	170.9	-82.8	170.8	-173.3	0	0	119.2
573	K	66.7	Low	81.6	Confident	139 Å²	139	58.6 Å²	58.6	60%	0.604	29%	0.288	S	S	*	.			trans	-96.6	105.2	175.7	-72.2	-174.7	-179.8	179.4	0	111	Y571 E575	Y571-K573 VanDerWaalsContact C-N 3.31Å; Y571-K573 PolarHBondContact O-N 3.33Å; K573-E575 HydrophobicContact CB-CG 4.26Å; K573-E575 PolarHBondContact O-N 3.27Å
574	S	79.2	Confident	81.5	Confident	80 Å²	80	59.2 Å²	59.2	56%	0.559	29%	0.292	S	S	*	.			trans	-75.6	121.8	162.5	-55.5	0	0	0	0	109.3	I654	S574-I654 WeakPolarHBondContact CA-O 3.37Å
575	E	88	Confident	81.2	Confident	35 Å²	35	58 Å²	58	16%	0.164	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	157	179.4	-58.2	-169.8	158.9	0	0	110.2	T535 A536 K573 T653 I654	T535-E575 WeakPolarHBondContact OG1-CA 3.41Å; A536-E575 HydrophobicContact CB-CB 3.9Å; K573-E575 HydrophobicContact CB-CG 4.26Å; K573-E575 PolarHBondContact O-N 3.27Å; E575-T653 CarbonylContact O-C 3.57Å; E575-T653 WeakPolarHBondContact O-CA 3.48Å; E575-I654 PolarHBondContact N-O 2.67Å; E575-I654 VanDerWaalsContact N-O 3.17Å; E575-I654 PolarHBondContact O-N 2.77Å
576	Y	90.6	Very high	80.8	Confident	69 Å²	69	61.5 Å²	61.5	27%	0.271	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	152.5	-179.8	67.4	-93.6	0	0	0	113	G534 T535 A536 Y578 K651 I652	G534-Y576 CarbonylContact C-O 3.38Å; G534-Y576 VanDerWaalsContact CA-O 3.22Å; G534-Y576 WeakPolarHBondContact CA-O 3.36Å; T535-Y576 HydrophobicContact CG2-CD1 4.22Å; T535-Y576 HydrophobicContact CG2-CE1 3.57Å; T535-Y576 PolarHBondContact N-O 3.12Å; T535-Y576 WeakPolarHBondContact OG1-CD1 3.27Å; T535-Y576 PolarHBondContact OG1-N 3.23Å; A536-Y576 WeakPolarHBondContact CB-O 3.31Å; A536-Y576 PolarHBondContact N-O 3.46Å; Y576-Y578 AromaticContact CD2-CE2 3.83Å; Y576-Y578 HydrophobicContact CD2-CE2 3.83Å; Y576-Y578 AromaticContact CD2-CZ 3.96Å; Y576-Y578 AromaticContact CE2-CE2 3.57Å; Y576-Y578 HydrophobicContact CE2-CE2 3.57Å; Y576-Y578 AromaticContact CE2-CZ 3.72Å; Y576-Y578 WeakPolarHBondContact CE2-OH 3.32Å; Y576-K651 HydrophobicContact CD2-CD 4.35Å; Y576-K651 HydrophobicContact CD2-CG 4.12Å; Y576-K651 HydrophobicContact CG-CD 4.48Å; Y576-K651 HydrophobicContact CG-CG 4.39Å; Y576-I652 CarbonylContact C-O 3.59Å; Y576-I652 WeakPolarHBondContact CA-O 3.35Å; Y576-I652 VanDerWaalsContact CB-O 3.25Å; Y576-I652 WeakPolarHBondContact CB-O 3.47Å
577	F	93.5	Very high	80.6	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	175.8	170.7	68.8	-82.4	0	0	0	110.4	A536 F543 I563 V579 I652 I654	A536-F577 HydrophobicContact CB-CB 4.3Å; A536-F577 HydrophobicContact CB-CD1 4.45Å; F543-F577 HydrophobicContact CB-CE1 4.28Å; F543-F577 HydrophobicContact CB-CZ 4.42Å; F543-F577 HydrophobicContact CD1-CB 4.02Å; F543-F577 AromaticContact CD1-CD1 3.8Å; F543-F577 HydrophobicContact CD1-CD1 3.8Å; F543-F577 HydrophobicContact CD1-CD2 4.37Å; F543-F577 HydrophobicContact CD1-CE1 4.34Å; F543-F577 AromaticContact CD1-CG 3.82Å; F543-F577 HydrophobicContact CD1-CG 3.82Å; F543-F577 HydrophobicContact CD2-CD2 4.15Å; F543-F577 HydrophobicContact CD2-CE2 4.26Å; F543-F577 HydrophobicContact CD2-CG 4.42Å; F543-F577 HydrophobicContact CE1-CB 3.49Å; F543-F577 VanDerWaalsContact CE1-CB 3.49Å; F543-F577 HydrophobicContact CE1-CD1 4.19Å; F543-F577 HydrophobicContact CE1-CD2 4.32Å; F543-F577 AromaticContact CE1-CG 3.77Å; F543-F577 HydrophobicContact CE1-CG 3.77Å; F543-F577 HydrophobicContact CE2-CD2 4.11Å; F543-F577 HydrophobicContact CE2-CG 4.39Å; F543-F577 HydrophobicContact CG-CD1 4.14Å; F543-F577 HydrophobicContact CG-CD2 4.3Å; F543-F577 HydrophobicContact CG-CE1 4.25Å; F543-F577 HydrophobicContact CG-CE2 4.4Å; F543-F577 HydrophobicContact CG-CG 4.16Å; F543-F577 HydrophobicContact CG-CZ 4.38Å; F543-F577 HydrophobicContact CZ-CB 3.82Å; F543-F577 HydrophobicContact CZ-CD2 4.2Å; F543-F577 HydrophobicContact CZ-CG 4.08Å; I563-F577 HydrophobicContact CD1-CE2 3.86Å; I563-F577 HydrophobicContact CD1-CZ 4.48Å; I563-F577 HydrophobicContact CG2-CE2 4.15Å; I563-F577 HydrophobicContact CG2-CZ 4.13Å; F577-V579 HydrophobicContact CD2-CG2 4.43Å; F577-V579 HydrophobicContact CE2-CG2 4.02Å; F577-I652 HydrophobicContact CD1-CB 4.14Å; F577-I652 HydrophobicContact CD1-CG2 4.27Å; F577-I652 HydrophobicContact CD2-CD1 4.16Å; F577-I652 HydrophobicContact CE1-CB 3.76Å; F577-I652 HydrophobicContact CE1-CD1 4.3Å; F577-I652 HydrophobicContact CE1-CG2 3.51Å; F577-I652 HydrophobicContact CE2-CB 4.2Å; F577-I652 HydrophobicContact CE2-CD1 3.38Å; F577-I652 HydrophobicContact CE2-CG1 4.4Å; F577-I652 HydrophobicContact CZ-CB 3.8Å; F577-I652 HydrophobicContact CZ-CD1 3.46Å; F577-I652 VanDerWaalsContact CZ-CD1 3.46Å; F577-I652 HydrophobicContact CZ-CG1 4.26Å; F577-I652 HydrophobicContact CZ-CG2 3.7Å; F577-I652 PolarHBondContact N-O 3.42Å; F577-I652 PolarHBondContact O-N 3.28Å; F577-I654 HydrophobicContact CD1-CD1 4.12Å; F577-I654 HydrophobicContact CD1-CG1 4.4Å; F577-I654 HydrophobicContact CE1-CD1 4.04Å; F577-I654 HydrophobicContact CE1-CG1 4.17Å
578	Y	93.8	Very high	79.8	Confident	50 Å²	50	63 Å²	63	20%	0.196	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	155	-178.8	-59.4	-90.7	0	0	0	112.6	T531 V532 Y576 R649 I650 K651	T531-Y578 CarbonylContact C-O 3.58Å; T531-Y578 WeakPolarHBondContact CA-O 3.47Å; V532-Y578 PolarHBondContact N-O 2.89Å; V532-Y578 PolarHBondContact O-N 3.26Å; Y576-Y578 AromaticContact CD2-CE2 3.83Å; Y576-Y578 HydrophobicContact CD2-CE2 3.83Å; Y576-Y578 AromaticContact CD2-CZ 3.96Å; Y576-Y578 AromaticContact CE2-CE2 3.57Å; Y576-Y578 HydrophobicContact CE2-CE2 3.57Å; Y576-Y578 AromaticContact CE2-CZ 3.72Å; Y576-Y578 WeakPolarHBondContact CE2-OH 3.32Å; Y578-R649 HydrophobicContact CD1-CG 4.2Å; Y578-R649 VanDerWaalsContact CG-NE 3.31Å; Y578-I650 VanDerWaalsContact CA-O 3.29Å; Y578-I650 WeakPolarHBondContact CA-O 3.32Å; Y578-K651 HydrophobicContact CD1-CB 3.78Å; Y578-K651 HydrophobicContact CD1-CG 4.09Å; Y578-K651 HydrophobicContact CE1-CB 3.64Å; Y578-K651 HydrophobicContact CE1-CD 4.17Å; Y578-K651 HydrophobicContact CE1-CG 3.67Å
579	V	93.9	Very high	79	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	135.9	169.8	-172.9	0	0	0	0	108.6	F497 I513 Q530 T531 I561 I563 F577 R649 I650 I652	F497-V579 WeakPolarHBondContact CE2-O 3.4Å; F497-V579 HydrophobicContact CZ-CB 4.21Å; F497-V579 HydrophobicContact CZ-CG1 3.97Å; I513-V579 HydrophobicContact CD1-CG2 4.08Å; Q530-V579 WeakPolarHBondContact O-CA 3.41Å; T531-V579 HydrophobicContact CG2-CG2 4.43Å; I561-V579 HydrophobicContact CD1-CG1 4.07Å; I563-V579 HydrophobicContact CD1-CB 4.47Å; I563-V579 HydrophobicContact CD1-CG1 4.38Å; I563-V579 HydrophobicContact CD1-CG2 3.26Å; F577-V579 HydrophobicContact CD2-CG2 4.43Å; F577-V579 HydrophobicContact CE2-CG2 4.02Å; V579-R649 WeakPolarHBondContact O-CA 3.49Å; V579-I650 HydrophobicContact CB-CG2 3.74Å; V579-I650 HydrophobicContact CG2-CG2 4.39Å; V579-I650 PolarHBondContact N-O 2.93Å; V579-I650 PolarHBondContact O-N 3.31Å; V579-I652 HydrophobicContact CG2-CD1 3.43Å; V579-I652 VanDerWaalsContact CG2-CD1 3.43Å
580	Q	93.2	Very high	78.1	Confident	75 Å²	75	73.3 Å²	73.3	35%	0.35	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.3	-175.2	-174.6	175	0.6	0	0	111.1	Y529 Q530 T648	Y529-Q580 CarbonylContact C-O 3.53Å; Y529-Q580 VanDerWaalsContact CA-O 3.24Å; Y529-Q580 WeakPolarHBondContact CA-O 3.34Å; Q530-Q580 HydrophobicContact CG-CB 4.34Å; Q530-Q580 PolarHBondContact N-O 3.34Å; Q530-Q580 PolarHBondContact O-N 2.87Å; Q580-T648 WeakPolarHBondContact CA-O 3.26Å
581	L	92.8	Very high	77.3	Confident	7 Å²	7	73.2 Å²	73.2	4%	0.037	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	143.4	173.4	-57.9	176.1	0	0	0	111	F497 V515 L527 I561 L644 T648	F497-L581 HydrophobicContact CD2-CD1 4.15Å; F497-L581 HydrophobicContact CD2-CG 4.24Å; F497-L581 HydrophobicContact CE1-CD1 4.38Å; F497-L581 HydrophobicContact CE1-CD2 3.89Å; F497-L581 HydrophobicContact CE1-CG 4.12Å; F497-L581 HydrophobicContact CE2-CD1 3.99Å; F497-L581 HydrophobicContact CE2-CD2 4.17Å; F497-L581 HydrophobicContact CE2-CG 3.58Å; F497-L581 HydrophobicContact CG-CD1 4.44Å; F497-L581 HydrophobicContact CZ-CD1 4.1Å; F497-L581 HydrophobicContact CZ-CD2 3.55Å; F497-L581 HydrophobicContact CZ-CG 3.5Å; F497-L581 VanDerWaalsContact CZ-CG 3.5Å; V515-L581 HydrophobicContact CG1-CD1 4.08Å; V515-L581 HydrophobicContact CG1-CD2 4.49Å; V515-L581 HydrophobicContact CG2-CD2 4.11Å; L527-L581 HydrophobicContact CD2-CD1 4.16Å; L527-L581 HydrophobicContact CD2-CD2 3.79Å; L527-L581 HydrophobicContact CD2-CG 4.43Å; L527-L581 HydrophobicContact CG-CD2 4.25Å; I561-L581 HydrophobicContact CD1-CD2 4.35Å; L581-L644 HydrophobicContact CB-CD2 4.01Å; L581-T648 PolarHBondContact N-O 3.01Å
582	G	90	Very high	76.3	Confident	26 Å²	26	75.2 Å²	75.2	27%	0.268	39%	0.388	S	S	.	.			trans	-101.2	174.4	168.6	0	0	0	0	0	112.1	L527 P528 L644	L527-G582 VanDerWaalsContact CD1-O 3.28Å; L527-G582 WeakPolarHBondContact CD1-O 3.39Å; P528-G582 PolarHBondContact O-N 3.26Å; G582-L644 WeakPolarHBondContact O-CD2 3.48Å
583	E	87.4	Confident	75.7	Confident	136 Å²	136	74 Å²	74	64%	0.636	39%	0.394	S	S	*	.			trans	-58.8	130.9	-177.6	-65.1	-66.3	162.5	0	0	112.6	P528	P528-E583 WeakPolarHBondContact CD-O 3.21Å
584	P	88.9	Confident	74.6	Confident	15 Å²	15	74 Å²	74	10%	0.097	40%	0.396	C	S	.	.			trans	-70.9	143.8	177.1	28.4	-34.4	0	0	0	111.7	F495 V525 L527 P642	F495-P584 HydrophobicContact CD2-CB 3.84Å; F495-P584 HydrophobicContact CD2-CG 4.07Å; F495-P584 HydrophobicContact CE2-CB 4.14Å; F495-P584 HydrophobicContact CG-CB 4.5Å; V525-P584 HydrophobicContact CG1-CB 3.62Å; L527-P584 HydrophobicContact CD1-CB 3.96Å; P584-P642 HydrophobicContact CB-CB 4.03Å; P584-P642 HydrophobicContact CB-CG 4.39Å; P584-P642 HydrophobicContact CG-CB 4.07Å
585	V	84.9	Confident	72.9	Confident	67 Å²	67	75 Å²	75	41%	0.406	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	118	179.9	-176.7	0	0	0	0	109.8	V525 R526	V525-V585 WeakPolarHBondContact CA-O 3.29Å; R526-V585 PolarHBondContact N-O 3.45Å; R526-V585 PolarHBondContact O-N 2.77Å
586	L	79.6	Confident	70.9	Confident	80 Å²	80	77.7 Å²	77.7	42%	0.419	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	128.9	172.2	-167.6	72.2	0	0	0	109.9	V525 P642	V525-L586 HydrophobicContact CG2-CD1 3.85Å; L586-P642 HydrophobicContact CB-CG 3.99Å
587	I	79.1	Confident	68.7	Low	48 Å²	48	77.5 Å²	77.5	25%	0.246	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	110.5	176.7	-60.2	177.5	0	0	0	108.5	V524 R526	V524-I587 HydrophobicContact CB-CB 4.35Å; V524-I587 HydrophobicContact CG1-CB 4.38Å; V524-I587 HydrophobicContact CG1-CD1 4.16Å; V524-I587 PolarHBondContact O-N 3.3Å; R526-I587 HydrophobicContact CB-CD1 4.3Å; R526-I587 HydrophobicContact CG-CD1 3.61Å
588	D	61.3	Low	66	Low	116 Å²	116	87 Å²	87	62%	0.62	46%	0.455	S	S	*	.			trans	-86.4	132.6	168.1	-156	-11.6	0	0	0	109.5	D590	D588-D590 PolarHBondContact O-N 2.8Å
589	K	52.4	Low	63.5	Low	190 Å²	190	89.5 Å²	89.5	83%	0.826	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-5.3	-172.6	-85.2	-177.8	176.9	171.7	0	113.8
590	D	44.4	Very low	61	Low	146 Å²	146	92.6 Å²	92.6	78%	0.781	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	12	-175.3	-75.6	-24.3	0	0	0	116.2	D588	D588-D590 PolarHBondContact O-N 2.8Å
591	V	43.8	Very low	58.2	Low	80 Å²	80	96 Å²	96	49%	0.485	51%	0.512	S	S	.	.	S	Bend	trans	-114.5	114.7	176.4	-168.1	0	0	0	0	112.2
592	P	38.1	Very low	55.2	Low	82 Å²	82	104.1 Å²	104.1	53%	0.532	54%	0.542	S	S	.	.			trans	-71	143.1	-177.3	-8.2	21.4	0	0	0	112.8	H594	P592-H594 PolarHBondContact O-N 3.12Å; P592-H594 PolarHBondContact O-ND1 3.35Å
593	S	48.5	Very low	52.7	Low	112 Å²	112	106.2 Å²	106.2	78%	0.783	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.8	0.3	-166.6	43.7	0	0	0	0	118.9
594	H	42.6	Very low	50.1	Low	140 Å²	140	106.7 Å²	106.7	65%	0.648	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-17.3	-178.2	54.3	-85.7	0	0	0	114.4	P592	P592-H594 PolarHBondContact O-N 3.12Å; P592-H594 PolarHBondContact O-ND1 3.35Å
595	L	44.9	Very low	47.4	Very low	102 Å²	102	109.6 Å²	109.6	53%	0.534	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.7	-24	178.8	-130.7	146.5	0	0	0	112.5
596	F	46	Very low	45.1	Very low	91 Å²	91	113 Å²	113	40%	0.399	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.7	-30.5	-174.6	-76.9	-82.7	0	0	0	114.9	R598 I599 A600	F596-R598 PolarHBondContact O-N 3.31Å; F596-R598 VanDerWaalsContact O-N 3.12Å; F596-I599 PolarHBondContact O-N 2.7Å; F596-A600 PolarHBondContact O-N 3.26Å
597	A	44.2	Very low	42.8	Very low	65 Å²	65	116.9 Å²	116.9	54%	0.537	62%	0.615	S	S	.	*	H	α-helix	trans	-59.2	-27	174.2	0	0	0	0	0	112.2	Q601	A597-Q601 PolarHBondContact O-N 3.13Å
598	R	35.4	Very low	40.5	Very low	200 Å²	200	120 Å²	120	76%	0.755	64%	0.641	S	S	*	*	H	α-helix	trans	-78.4	-21.8	176.2	-80	-175	175.3	172.5	0.6	114.5	F596 R602	F596-R598 PolarHBondContact O-N 3.31Å; F596-R598 VanDerWaalsContact O-N 3.12Å; R598-R602 WeakPolarHBondContact O-CB 3.46Å
599	I	42.6	Very low	38.8	Very low	102 Å²	102	118.1 Å²	118.1	52%	0.523	65%	0.649	S	S	.	*	H	α-helix	trans	-85.1	-38.7	177.1	-62.2	176	0	0	0	110	F596 Q601 R602 S603	F596-I599 PolarHBondContact O-N 2.7Å; I599-Q601 VanDerWaalsContact C-N 3.29Å; I599-Q601 PolarHBondContact O-N 3.28Å; I599-R602 WeakPolarHBondContact O-CA 3.35Å; I599-R602 PolarHBondContact O-N 3.3Å; I599-S603 PolarHBondContact O-N 3.27Å; I599-S603 VanDerWaalsContact O-N 3.15Å
600	A	41.7	Very low	37.4	Very low	64 Å²	64	116.8 Å²	116.8	53%	0.529	65%	0.651	S	S	.	*	H	α-helix	trans	-61	-35.8	173.9	0	0	0	0	0	112.7	F596 R602 S603	F596-A600 PolarHBondContact O-N 3.26Å; A600-R602 VanDerWaalsContact C-N 3.3Å; A600-R602 PolarHBondContact O-N 3.46Å; A600-S603 PolarHBondContact O-OG 3.37Å
601	Q	33.7	Very low	36.5	Very low	148 Å²	148	115 Å²	115	69%	0.692	65%	0.65	S	S	*	*	H	α-helix	trans	-75.9	-15.4	172.1	-75.4	-172.5	-39	0	0	113.9	A597 I599	A597-Q601 PolarHBondContact O-N 3.13Å; I599-Q601 VanDerWaalsContact C-N 3.29Å; I599-Q601 PolarHBondContact O-N 3.28Å
602	R	30.7	Very low	35.6	Very low	176 Å²	176	116.5 Å²	116.5	66%	0.664	66%	0.664	S	S	*	*	H	α-helix	trans	-90.7	-24.9	-177.7	-145.1	171.8	-171.3	170.8	1	112.6	R598 I599 A600 D604 S605	R598-R602 WeakPolarHBondContact O-CB 3.46Å; I599-R602 WeakPolarHBondContact O-CA 3.35Å; I599-R602 PolarHBondContact O-N 3.3Å; A600-R602 VanDerWaalsContact C-N 3.3Å; A600-R602 PolarHBondContact O-N 3.46Å; R602-D604 VanDerWaalsContact C-N 3.33Å; R602-S605 PolarHBondContact O-N 3.31Å; R602-S605 PolarHBondContact O-OG 3.25Å
603	S	37	Very low	35	Very low	71 Å²	71	121 Å²	121	50%	0.497	68%	0.68	S	S	.	*	H	α-helix	trans	-67.8	-31.3	169.9	44	0	0	0	0	112.7	I599 A600 S605	I599-S603 PolarHBondContact O-N 3.27Å; I599-S603 VanDerWaalsContact O-N 3.15Å; A600-S603 PolarHBondContact O-OG 3.37Å; S603-S605 VanDerWaalsContact C-N 3.26Å; S603-S605 PolarHBondContact O-N 3.33Å
604	D	32.1	Very low	33.8	Very low	145 Å²	145	124.6 Å²	124.6	78%	0.775	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-20.7	176	-84.2	-10	0	0	0	113.8	R602	R602-D604 VanDerWaalsContact C-N 3.33Å
605	S	33.3	Very low	32.8	Very low	77 Å²	77	130 Å²	130	54%	0.538	70%	0.696	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.2	-4.6	-178	51.8	0	0	0	0	114.7	R602 S603	R602-S605 PolarHBondContact O-N 3.31Å; R602-S605 PolarHBondContact O-OG 3.25Å; S603-S605 VanDerWaalsContact C-N 3.26Å; S603-S605 PolarHBondContact O-N 3.33Å
606	L	35	Very low	31.8	Very low	137 Å²	137	136.5 Å²	136.5	72%	0.717	71%	0.713	S	S	*	*	S	Bend	trans	-98.6	-1.8	-177.8	-86.3	162.8	0	0	0	114.9
607	I	32.2	Very low	30.7	Very low	163 Å²	163	140 Å²	140	84%	0.836	74%	0.736	S	S	*	*	S	Bend	trans	-105.9	-2.1	177.9	-54.8	-179.3	0	0	0	112.6
608	S	29.8	Very low	30	Very low	113 Å²	113	142.6 Å²	142.6	79%	0.79	75%	0.751	S	S	*	*	S	Bend	trans	-129	90	172.4	-163.5	0	0	0	0	111.7
609	G	25.5	Very low	29.4	Very low	76 Å²	76	144.8 Å²	144.8	78%	0.784	76%	0.759	S	S	*	*			trans	161.1	95.5	172	0	0	0	0	0	116.1
610	N	23.2	Very low	28.5	Very low	163 Å²	163	146.4 Å²	146.4	87%	0.872	77%	0.774	S	S	*	*			trans	-54.5	156.8	163.4	-97.7	-19	0	0	0	113.7
611	S	26.6	Very low	27.7	Very low	109 Å²	109	149.5 Å²	149.5	76%	0.762	79%	0.788	S	S	*	*			trans	95.3	105.5	156.3	78.3	0	0	0	0	119.8
612	S	24.7	Very low	27.2	Very low	110 Å²	110	147.9 Å²	147.9	77%	0.769	79%	0.794	S	S	*	*			trans	32	111.5	135	61.6	0	0	0	0	120.2
613	M	24.5	Very low	27	Very low	177 Å²	177	146.4 Å²	146.4	87%	0.872	80%	0.804	S	S	*	*				-164.9	120.7	129.4	-127.6	168.5	81.1	0	0	115.7
614	K	23.2	Very low	26.3	Very low	187 Å²	187	152 Å²	152	81%	0.813	82%	0.82	S	S	*	*			trans	38.5	116	138.7	-71.5	177.6	175.4	172.7	0	121.2
615	R	23.5	Very low	26.2	Very low	253 Å²	253	152.9 Å²	152.9	96%	0.955	83%	0.825	S	S	*	*			trans	-26.6	127.6	145.2	-77.8	177.6	152.9	177.2	-6.5	114
616	R	23.7	Very low	25.9	Very low	239 Å²	239	152.6 Å²	152.6	90%	0.902	83%	0.834	S	S	*	*			trans	-130.1	115.5	159.3	-163.7	171.7	-179.3	165.9	-1	109.9
617	N	21.8	Very low	25.5	Very low	164 Å²	164	153.8 Å²	153.8	88%	0.877	84%	0.841	S	S	*	*			trans	-63.7	137	164.3	-81.6	-16.1	0	0	0	110.1
618	S	29	Very low	25.5	Very low	121 Å²	121	153.7 Å²	153.7	85%	0.846	84%	0.841	S	S	*	*			trans	-143.3	133	154.1	51.1	0	0	0	0	110.3
619	R	23	Very low	25.4	Very low	246 Å²	246	155.6 Å²	155.6	93%	0.928	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-67.8	146.2	-164.9	-71.7	160.6	167.1	164.5	-5.5	114.2
620	T	23.6	Very low	26.1	Very low	135 Å²	135	156.8 Å²	156.8	83%	0.828	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-69.8	139.3	161.2	45.6	0	0	0	0	112.2
621	P	26.1	Very low	26.5	Very low	129 Å²	129	160.5 Å²	160.5	84%	0.838	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-91.1	137.1	160.6	21	-6.6	0	0	0	111.4
622	S	22.4	Very low	26.9	Very low	115 Å²	115	164.1 Å²	164.1	80%	0.804	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-88.8	129	177.5	50.4	0	0	0	0	111.8
623	T	26.3	Very low	27.4	Very low	145 Å²	145	162.9 Å²	162.9	89%	0.89	83%	0.831	S	S	*	*			trans	-133.7	131.9	152.8	37.2	0	0	0	0	109.4
624	K	23.8	Very low	28	Very low	188 Å²	188	161.3 Å²	161.3	82%	0.817	83%	0.826	S	S	*	*			trans	-75.9	140.3	-177.7	-62.6	168.3	174.2	178	0	109.3
625	D	28.8	Very low	28.3	Very low	164 Å²	164	154.9 Å²	154.9	88%	0.877	81%	0.812	S	S	*	*				177.7	139.9	122.1	-85	-22.6	0	0	0	111.2
626	G	27.5	Very low	28.9	Very low	71 Å²	71	151 Å²	151	73%	0.732	80%	0.803	S	S	*	*			trans	79.3	71.6	144.2	0	0	0	0	0	119.8	L628	G626-L628 PolarHBondContact O-N 2.87Å
627	N	26.6	Very low	29.7	Very low	162 Å²	162	145.2 Å²	145.2	87%	0.866	79%	0.794	S	S	*	*				36.6	75.9	130	-146.6	40.9	0	0	0	118.8
628	L	31	Very low	30.9	Very low	161 Å²	161	145.1 Å²	145.1	84%	0.843	79%	0.788	S	S	*	*			trans	-143.1	124.8	150.2	-126.2	79.9	0	0	0	107.2	G626 P630	G626-L628 PolarHBondContact O-N 2.87Å; L628-P630 WeakPolarHBondContact O-CD 3.3Å
629	N	29.4	Very low	32	Very low	153 Å²	153	144 Å²	144	82%	0.818	78%	0.776	S	S	*	*			trans	-53.3	105.6	-178	-78.7	-36.6	0	0	0	111.1	R631	N629-R631 PolarHBondContact O-N 3.31Å
630	P	40.1	Very low	33.7	Very low	100 Å²	100	133.6 Å²	133.6	65%	0.649	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	31.6	-168.4	34.6	-31.4	0	0	0	112.6	L628	L628-P630 WeakPolarHBondContact O-CD 3.3Å
631	R	30.7	Very low	36.1	Very low	242 Å²	242	133 Å²	133	91%	0.913	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.1	-3.8	178.4	-91.6	-171.4	165.8	125.8	-1.6	115.1	N629	N629-R631 PolarHBondContact O-N 3.31Å
632	K	34.8	Very low	38.7	Very low	185 Å²	185	127.6 Å²	127.6	80%	0.804	70%	0.698	S	S	*	*	S	Bend	trans	-112.5	-17.2	175.6	-76.5	-168.8	174.3	-170.8	0	115.6
633	S	35.8	Very low	41.6	Very low	84 Å²	84	130.8 Å²	130.8	59%	0.587	69%	0.692	S	S	*	*	S	Bend	trans	-96	-9.6	-179.3	58.3	0	0	0	0	115.4
634	L	36.5	Very low	44.5	Very low	144 Å²	144	125.8 Å²	125.8	75%	0.754	66%	0.66	S	S	*	*	S	Bend	trans	-86.4	-11.8	175.5	-129.8	90.2	0	0	0	113.7
635	G	29.7	Very low	47.4	Very low	51 Å²	51	117.7 Å²	117.7	53%	0.526	63%	0.63	S	S	.	*	S	Bend	trans	-91.6	-14	-179.3	0	0	0	0	0	115
636	F	37	Very low	50	Low	172 Å²	172	118.8 Å²	118.8	75%	0.754	63%	0.63	S	S	*	*	S	Bend	trans	-93.6	-12	-175.3	-96.9	-88.4	0	0	0	114.4	T639	F636-T639 PolarHBondContact O-OG1 2.89Å
637	V	40.5	Very low	52.9	Low	118 Å²	118	117.8 Å²	117.8	72%	0.715	61%	0.606	S	S	*	*	S	Bend	trans	-98.3	-11.8	-179.2	-171.5	0	0	0	0	112.4	T639	V637-T639 VanDerWaalsContact C-N 3.35Å
638	E	46.6	Very low	55.8	Low	161 Å²	161	112.3 Å²	112.3	75%	0.752	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-79.6	-12.9	175.3	-93.1	-176.5	165.7	0	0	113.8
639	T	51.2	Low	58.7	Low	97 Å²	97	110.1 Å²	110.1	60%	0.595	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-82.5	-11.4	-174.9	47.1	0	0	0	0	114.5	H491 F636 V637	H491-T639 PolarHBondContact CE1-O 3.42Å; H491-T639 VanDerWaalsContact CE1-O 3.23Å; H491-T639 PolarHBondContact ND1-O 3.35Å; H491-T639 VanDerWaalsContact ND1-O 3.17Å; F636-T639 PolarHBondContact O-OG1 2.89Å; V637-T639 VanDerWaalsContact C-N 3.35Å
640	G	59.5	Low	61.7	Low	28 Å²	28	103 Å²	103	29%	0.289	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-108.2	9.3	-175.7	0	0	0	0	0	116.3	S492	S492-G640 WeakPolarHBondContact CB-O 3.3Å; S492-G640 PolarHBondContact OG-O 3.47Å
641	Q	73.3	Confident	64.2	Low	124 Å²	124	100.9 Å²	100.9	58%	0.579	50%	0.501	S	S	*	.	S	Bend	trans	-80.3	144.2	177.5	-71.1	-172.4	8.2	0	0	111.8
642	P	81.1	Confident	67.2	Low	14 Å²	14	89.3 Å²	89.3	9%	0.091	46%	0.458	C	S	.	.			trans	-66.3	140.2	176	29.9	-35.7	0	0	0	110.8	G493 F495 V525 P584 L586	G493-P642 VanDerWaalsContact O-CA 3.22Å; G493-P642 WeakPolarHBondContact O-CA 3.15Å; F495-P642 HydrophobicContact CD2-CB 4.3Å; F495-P642 HydrophobicContact CE2-CB 3.68Å; V525-P642 HydrophobicContact CG1-CB 4.09Å; V525-P642 HydrophobicContact CG1-CG 4.25Å; V525-P642 HydrophobicContact CG2-CB 4Å; V525-P642 HydrophobicContact CG2-CG 4.13Å; P584-P642 HydrophobicContact CB-CB 4.03Å; P584-P642 HydrophobicContact CB-CG 4.39Å; P584-P642 HydrophobicContact CG-CB 4.07Å; L586-P642 HydrophobicContact CB-CG 3.99Å
643	R	83.3	Confident	69.8	Low	182 Å²	182	81.6 Å²	81.6	69%	0.687	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.7	160.7	-179.2	-59.4	-174.2	80.8	-173.7	3.9	111.9	G493 V494 F495	G493-R643 PolarHBondContact O-N 3.42Å; V494-R643 CarbonylContact C-O 3.58Å; V494-R643 VanDerWaalsContact CA-O 3.31Å; V494-R643 WeakPolarHBondContact CA-O 3.46Å; F495-R643 PolarHBondContact N-O 3.3Å
644	L	87.6	Confident	72.1	Confident	41 Å²	41	77.9 Å²	77.9	22%	0.215	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	137.1	168.8	-71.9	175.2	0	0	0	110.8	L527 L581 G582 T648	L527-L644 HydrophobicContact CD1-CD2 3.99Å; L581-L644 HydrophobicContact CB-CD2 4.01Å; G582-L644 WeakPolarHBondContact O-CD2 3.48Å; L644-T648 HydrophobicContact CB-CG2 3.87Å; L644-T648 HydrophobicContact CD1-CG2 3.95Å; L644-T648 HydrophobicContact CD2-CG2 4.29Å; L644-T648 HydrophobicContact CG-CG2 4.25Å
645	G	84.6	Confident	74.1	Confident	17 Å²	17	72.5 Å²	72.5	18%	0.175	37%	0.373	C	S	.	.			trans	-80.4	-162.4	172	0	0	0	0	0	112.7	V494 F495	V494-G645 VanDerWaalsContact CG1-CA 3.44Å; F495-G645 PolarHBondContact O-N 3.48Å
646	Q	83.7	Confident	76.1	Confident	187 Å²	187	72 Å²	72	87%	0.874	36%	0.357	S	S	*	.	S	Bend	trans	-74.5	-34.8	-174.6	-62.3	-177.6	11.3	0	0	112.4
647	Q	87.1	Confident	77.6	Confident	51 Å²	51	64.7 Å²	64.7	24%	0.238	33%	0.327	C	S	.	.			trans	-99.1	90.6	-179.6	-88.4	162.2	-90.9	0	0	112.1	Q496 F497 V499 V500	Q496-Q647 WeakPolarHBondContact CA-O 3.49Å; Q496-Q647 HydrophobicContact CB-CB 4.3Å; F497-Q647 HydrophobicContact CB-CB 4.39Å; F497-Q647 PolarHBondContact N-O 3.06Å; V499-Q647 PolarHBondContact O-NE2 3.43Å; V500-Q647 HydrophobicContact CG2-CG 4.05Å
648	T	88.7	Confident	78.7	Confident	47 Å²	47	63.9 Å²	63.9	29%	0.288	32%	0.322	S	S	.	.			trans	-95.5	-7.6	176.6	58.7	0	0	0	0	113.7	F497 Q580 L581 L644	F497-T648 WeakPolarHBondContact CE2-O 3.38Å; Q580-T648 WeakPolarHBondContact CA-O 3.26Å; L581-T648 PolarHBondContact N-O 3.01Å; L644-T648 HydrophobicContact CB-CG2 3.87Å; L644-T648 HydrophobicContact CD1-CG2 3.95Å; L644-T648 HydrophobicContact CD2-CG2 4.29Å; L644-T648 HydrophobicContact CG-CG2 4.25Å
649	R	91.8	Very high	79.5	Confident	114 Å²	114	62.6 Å²	62.6	43%	0.43	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	137.8	179.3	-175.3	179.7	-179.2	175.8	2.9	110.3	Y578 V579	Y578-R649 HydrophobicContact CD1-CG 4.2Å; Y578-R649 VanDerWaalsContact CG-NE 3.31Å; V579-R649 WeakPolarHBondContact O-CA 3.49Å
650	I	92.3	Very high	80.2	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.015	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.1	174.3	-172.2	174.1	0	0	0	109.8	F497 V499 V500 L502 I513 Y578 V579	F497-I650 HydrophobicContact CB-CB 4.31Å; F497-I650 HydrophobicContact CD1-CB 4.3Å; F497-I650 HydrophobicContact CD1-CG2 3.98Å; F497-I650 HydrophobicContact CD2-CB 3.75Å; F497-I650 HydrophobicContact CD2-CG2 3.88Å; F497-I650 HydrophobicContact CE1-CG2 3.83Å; F497-I650 HydrophobicContact CE2-CB 4.05Å; F497-I650 HydrophobicContact CE2-CG2 3.7Å; F497-I650 HydrophobicContact CG-CB 3.87Å; F497-I650 HydrophobicContact CG-CG2 4Å; F497-I650 HydrophobicContact CZ-CB 4.47Å; F497-I650 HydrophobicContact CZ-CG2 3.69Å; V499-I650 HydrophobicContact CG2-CD1 3.89Å; V499-I650 WeakPolarHBondContact O-CD1 3.33Å; V499-I650 WeakPolarHBondContact O-CG1 3.44Å; V500-I650 WeakPolarHBondContact O-CA 3.11Å; V500-I650 WeakPolarHBondContact O-CG1 3.21Å; L502-I650 HydrophobicContact CB-CD1 3.92Å; L502-I650 HydrophobicContact CB-CG1 4.47Å; I513-I650 HydrophobicContact CG2-CD1 3.93Å; I513-I650 HydrophobicContact CG2-CG2 4.01Å; Y578-I650 VanDerWaalsContact CA-O 3.29Å; Y578-I650 WeakPolarHBondContact CA-O 3.32Å; V579-I650 HydrophobicContact CB-CG2 3.74Å; V579-I650 HydrophobicContact CG2-CG2 4.39Å; V579-I650 PolarHBondContact N-O 2.93Å; V579-I650 PolarHBondContact O-N 3.31Å
651	K	93.4	Very high	80.5	Confident	56 Å²	56	62.1 Å²	62.1	24%	0.243	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	127.9	171	-175.7	-173.3	173.7	-171	0	109.2	V500 D501 L502 Y576 Y578	V500-K651 PolarHBondContact O-N 3.46Å; D501-K651 CarbonylContact C-O 3.47Å; D501-K651 WeakPolarHBondContact CA-O 3.25Å; D501-K651 VanDerWaalsContact OD1-CB 3.25Å; D501-K651 WeakPolarHBondContact OD1-CB 3.37Å; L502-K651 PolarHBondContact N-O 3.18Å; Y576-K651 HydrophobicContact CD2-CD 4.35Å; Y576-K651 HydrophobicContact CD2-CG 4.12Å; Y576-K651 HydrophobicContact CG-CD 4.48Å; Y576-K651 HydrophobicContact CG-CG 4.39Å; Y578-K651 HydrophobicContact CD1-CB 3.78Å; Y578-K651 HydrophobicContact CD1-CG 4.09Å; Y578-K651 HydrophobicContact CE1-CB 3.64Å; Y578-K651 HydrophobicContact CE1-CD 4.17Å; Y578-K651 HydrophobicContact CE1-CG 3.67Å
652	I	92.1	Very high	80.1	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	114.7	177.1	-61	156.7	0	0	0	107.3	L502 V504 A511 I513 I563 Y576 F577 V579	L502-I652 HydrophobicContact CB-CG1 4.36Å; L502-I652 CarbonylContact O-C 3.42Å; L502-I652 VanDerWaalsContact O-CA 3.3Å; L502-I652 WeakPolarHBondContact O-CA 3.33Å; V504-I652 HydrophobicContact CG1-CG2 4.3Å; V504-I652 HydrophobicContact CG2-CG2 3.71Å; A511-I652 HydrophobicContact CB-CG2 4.46Å; I513-I652 HydrophobicContact CD1-CD1 3.55Å; I513-I652 HydrophobicContact CG1-CD1 3.75Å; I513-I652 HydrophobicContact CG1-CG1 4.4Å; I563-I652 HydrophobicContact CD1-CD1 4.5Å; Y576-I652 CarbonylContact C-O 3.59Å; Y576-I652 WeakPolarHBondContact CA-O 3.35Å; Y576-I652 VanDerWaalsContact CB-O 3.25Å; Y576-I652 WeakPolarHBondContact CB-O 3.47Å; F577-I652 HydrophobicContact CD1-CB 4.14Å; F577-I652 HydrophobicContact CD1-CG2 4.27Å; F577-I652 HydrophobicContact CD2-CD1 4.16Å; F577-I652 HydrophobicContact CE1-CB 3.76Å; F577-I652 HydrophobicContact CE1-CD1 4.3Å; F577-I652 HydrophobicContact CE1-CG2 3.51Å; F577-I652 HydrophobicContact CE2-CB 4.2Å; F577-I652 HydrophobicContact CE2-CD1 3.38Å; F577-I652 HydrophobicContact CE2-CG1 4.4Å; F577-I652 HydrophobicContact CZ-CB 3.8Å; F577-I652 HydrophobicContact CZ-CD1 3.46Å; F577-I652 VanDerWaalsContact CZ-CD1 3.46Å; F577-I652 HydrophobicContact CZ-CG1 4.26Å; F577-I652 HydrophobicContact CZ-CG2 3.7Å; F577-I652 PolarHBondContact N-O 3.42Å; F577-I652 PolarHBondContact O-N 3.28Å; V579-I652 HydrophobicContact CG2-CD1 3.43Å; V579-I652 VanDerWaalsContact CG2-CD1 3.43Å
653	T	89.7	Confident	79.4	Confident	22 Å²	22	61.1 Å²	61.1	14%	0.135	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	115.1	176.5	-51.1	0	0	0	0	108.4	L502 T503 V504 E575 T655	L502-T653 PolarHBondContact O-N 3.41Å; T503-T653 WeakPolarHBondContact CA-O 3.26Å; V504-T653 PolarHBondContact N-O 2.86Å; E575-T653 CarbonylContact O-C 3.57Å; E575-T653 WeakPolarHBondContact O-CA 3.48Å; T653-T655 HydrophobicContact CG2-CG2 3.88Å
654	I	85.1	Confident	78.5	Confident	6 Å²	6	52.5 Å²	52.5	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	119.3	170.7	-58.5	172.8	0	0	0	106.7	V504 E506 A536 V565 S574 E575 F577	V504-I654 HydrophobicContact CG2-CG1 4.2Å; E506-I654 HydrophobicContact CB-CG2 4.34Å; E506-I654 HydrophobicContact CG-CG2 3.25Å; A536-I654 HydrophobicContact CB-CD1 4.27Å; V565-I654 HydrophobicContact CG1-CD1 4.08Å; V565-I654 HydrophobicContact CG1-CG1 4.35Å; S574-I654 WeakPolarHBondContact CA-O 3.37Å; E575-I654 PolarHBondContact N-O 2.67Å; E575-I654 VanDerWaalsContact N-O 3.17Å; E575-I654 PolarHBondContact O-N 2.77Å; F577-I654 HydrophobicContact CD1-CD1 4.12Å; F577-I654 HydrophobicContact CD1-CG1 4.4Å; F577-I654 HydrophobicContact CE1-CD1 4.04Å; F577-I654 HydrophobicContact CE1-CG1 4.17Å
655	T	79	Confident	77.4	Confident	31 Å²	31	52.4 Å²	52.4	19%	0.19	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	156.9	179.6	55.2	0	0	0	0	110.2	T503 V504 S505 E506 T653	T503-T655 HydrophobicContact CG2-CG2 3.49Å; T503-T655 VanDerWaalsContact CG2-CG2 3.49Å; T503-T655 WeakPolarHBondContact CG2-OG1 3.38Å; V504-T655 PolarHBondContact O-N 3.25Å; V504-T655 PolarHBondContact O-OG1 3.44Å; V504-T655 VanDerWaalsContact O-OG1 3.1Å; S505-T655 CarbonylContact C-O 3.59Å; S505-T655 VanDerWaalsContact CA-O 3.28Å; S505-T655 WeakPolarHBondContact CA-O 3.39Å; E506-T655 PolarHBondContact N-O 2.89Å; T653-T655 HydrophobicContact CG2-CG2 3.88Å
656	E	71.6	Confident	76.4	Confident	42 Å²	42	57.1 Å²	57.1	20%	0.196	28%	0.276	C	S	.	.			trans	-58	147.3	171.1	-172.8	-172.9	-177.6	0	0	110.7	Y571 T658 F660	Y571-E656 WeakPolarHBondContact CE2-OE1 3.3Å; E656-T658 PolarHBondContact O-N 2.97Å; E656-F660 WeakPolarHBondContact OE1-CD1 3.16Å
657	S	66.8	Low	75.2	Confident	17 Å²	17	48.2 Å²	48.2	12%	0.119	23%	0.234	C	C	.	.			trans	-56.5	115.5	171.9	-47.4	0	0	0	0	110.7	S505 S507 E659 F660 K661	S505-S657 WeakPolarHBondContact OG-CA 3.29Å; S505-S657 WeakPolarHBondContact OG-CB 3.33Å; S505-S657 PolarHBondContact OG-OG 3.06Å; S507-S657 PolarHBondContact OG-OG 3.34Å; S657-E659 PolarHBondContact O-N 2.96Å; S657-F660 WeakPolarHBondContact O-CB 3.5Å; S657-F660 PolarHBondContact O-N 3.48Å; S657-K661 PolarHBondContact O-N 3.28Å
658	T	64.5	Low	74	Confident	101 Å²	101	46.8 Å²	46.8	62%	0.62	23%	0.229	S	C	*	.	H	α-helix	trans	-58.1	-34.9	176.2	52	0	0	0	0	112.1	E656 K661 N662	E656-T658 PolarHBondContact O-N 2.97Å; T658-K661 PolarHBondContact O-N 2.99Å; T658-N662 WeakPolarHBondContact O-CB 3.23Å; T658-N662 VanDerWaalsContact O-CG 3.26Å; T658-N662 PolarHBondContact O-N 3.1Å; T658-N662 PolarHBondContact O-ND2 3.07Å
659	E	63.8	Low	72.5	Confident	134 Å²	134	51.3 Å²	51.3	63%	0.626	25%	0.245	S	C	*	.	H	α-helix	trans	-60.2	-48	172.4	-62	-170.6	163.5	0	0	111.5	M309 S657 N662 T663	M309-E659 HydrophobicContact CE-CB 3.53Å; S657-E659 PolarHBondContact O-N 2.96Å; E659-N662 PolarHBondContact O-N 3.31Å; E659-T663 WeakPolarHBondContact O-CB 3.47Å; E659-T663 PolarHBondContact O-N 3.4Å; E659-T663 PolarHBondContact O-OG1 2.95Å; E659-T663 VanDerWaalsContact O-OG1 3.08Å
660	F	65.3	Low	70.6	Confident	14 Å²	14	50.6 Å²	50.6	6%	0.061	25%	0.246	C	C	.	.	H	α-helix	trans	-62.6	-45.5	178.2	-179.5	-84.9	0	0	0	111.3	V294 I297 Y571 E656 S657 T663 V664	V294-F660 HydrophobicContact CG1-CE1 4.44Å; V294-F660 HydrophobicContact CG1-CZ 4.35Å; V294-F660 HydrophobicContact CG2-CE1 4.23Å; I297-F660 HydrophobicContact CB-CE2 3.75Å; I297-F660 HydrophobicContact CB-CZ 4.06Å; I297-F660 HydrophobicContact CD1-CE2 3.92Å; I297-F660 HydrophobicContact CD1-CZ 3.98Å; I297-F660 HydrophobicContact CG1-CE2 4.43Å; I297-F660 HydrophobicContact CG2-CD2 4.03Å; I297-F660 HydrophobicContact CG2-CE2 3.26Å; I297-F660 HydrophobicContact CG2-CZ 4.08Å; Y571-F660 HydrophobicContact CE2-CE1 4.35Å; E656-F660 WeakPolarHBondContact OE1-CD1 3.16Å; S657-F660 WeakPolarHBondContact O-CB 3.5Å; S657-F660 PolarHBondContact O-N 3.48Å; F660-T663 WeakPolarHBondContact O-CB 3.32Å; F660-T663 PolarHBondContact O-N 3.4Å; F660-V664 HydrophobicContact CD1-CG2 3.93Å; F660-V664 HydrophobicContact CE1-CG2 3.66Å; F660-V664 HydrophobicContact CZ-CG2 4.11Å; F660-V664 WeakPolarHBondContact O-CG2 3.45Å; F660-V664 PolarHBondContact O-N 3.36Å
661	K	64.9	Low	68.7	Low	101 Å²	101	52.8 Å²	52.8	44%	0.439	27%	0.27	S	S	.	.	H	α-helix	trans	-59.1	-51	176.9	179.3	174.6	177.6	173.1	0	111.9	S657 T658 T663 V664 D665	S657-K661 PolarHBondContact O-N 3.28Å; T658-K661 PolarHBondContact O-N 2.99Å; K661-T663 VanDerWaalsContact C-N 3.27Å; K661-T663 PolarHBondContact O-N 3.42Å; K661-V664 PolarHBondContact O-N 3.26Å; K661-D665 WeakPolarHBondContact O-CB 2.81Å; K661-D665 PolarHBondContact O-N 2.95Å; K661-D665 VanDerWaalsContact O-OD2 3.09Å
662	N	65.9	Low	66.6	Low	107 Å²	107	52.6 Å²	52.6	57%	0.572	27%	0.273	S	S	*	.	H	α-helix	trans	-61.9	-37.2	178	-74.5	-25.6	0	0	0	112	T658 E659 R666	T658-N662 WeakPolarHBondContact O-CB 3.23Å; T658-N662 VanDerWaalsContact O-CG 3.26Å; T658-N662 PolarHBondContact O-N 3.1Å; T658-N662 PolarHBondContact O-ND2 3.07Å; E659-N662 PolarHBondContact O-N 3.31Å; N662-R666 WeakPolarHBondContact O-CB 3.43Å; N662-R666 PolarHBondContact O-N 3.12Å
663	T	65.5	Low	64.5	Low	11 Å²	11	53.1 Å²	53.1	7%	0.067	28%	0.276	C	S	.	.	H	α-helix	trans	-61.3	-53.3	172.7	-78.5	0	0	0	0	110.8	E313 E659 F660 K661 D665 R666 L667	E313-T663 VanDerWaalsContact CD-CG2 3.5Å; E313-T663 HydrophobicContact CG-CG2 3.22Å; E313-T663 WeakPolarHBondContact OE1-CB 3.42Å; E313-T663 WeakPolarHBondContact OE1-CG2 3.33Å; E313-T663 PolarHBondContact OE1-OG1 3.34Å; E659-T663 WeakPolarHBondContact O-CB 3.47Å; E659-T663 PolarHBondContact O-N 3.4Å; E659-T663 PolarHBondContact O-OG1 2.95Å; E659-T663 VanDerWaalsContact O-OG1 3.08Å; F660-T663 WeakPolarHBondContact O-CB 3.32Å; F660-T663 PolarHBondContact O-N 3.4Å; K661-T663 VanDerWaalsContact C-N 3.27Å; K661-T663 PolarHBondContact O-N 3.42Å; T663-D665 VanDerWaalsContact C-N 3.31Å; T663-D665 PolarHBondContact O-N 3.22Å; T663-R666 WeakPolarHBondContact O-CB 3.21Å; T663-R666 PolarHBondContact O-N 3Å; T663-R666 VanDerWaalsContact O-N 3.08Å; T663-L667 HydrophobicContact CG2-CD1 4.09Å; T663-L667 HydrophobicContact CG2-CG 4.25Å; T663-L667 WeakPolarHBondContact O-CB 3.24Å; T663-L667 VanDerWaalsContact O-CG 3.26Å; T663-L667 WeakPolarHBondContact O-CG 3.2Å; T663-L667 PolarHBondContact O-N 3.33Å
664	V	65.5	Low	62.5	Low	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-57.1	-45.3	177	171.2	0	0	0	0	110.9	R290 V294 I297 F660 K661 R666 L667 V668	R290-V664 HydrophobicContact CG-CG1 3.75Å; V294-V664 HydrophobicContact CG2-CG1 4.04Å; V294-V664 HydrophobicContact CG2-CG2 4.1Å; I297-V664 HydrophobicContact CD1-CG2 3.55Å; F660-V664 HydrophobicContact CD1-CG2 3.93Å; F660-V664 HydrophobicContact CE1-CG2 3.66Å; F660-V664 HydrophobicContact CZ-CG2 4.11Å; F660-V664 WeakPolarHBondContact O-CG2 3.45Å; F660-V664 PolarHBondContact O-N 3.36Å; K661-V664 PolarHBondContact O-N 3.26Å; V664-R666 VanDerWaalsContact C-N 3.31Å; V664-R666 PolarHBondContact O-N 2.71Å; V664-L667 PolarHBondContact O-N 3.2Å; V664-L667 VanDerWaalsContact O-N 3.16Å; V664-V668 HydrophobicContact CG1-CG2 4.36Å; V664-V668 VanDerWaalsContact O-CG2 3.3Å; V664-V668 WeakPolarHBondContact O-CG2 3.44Å; V664-V668 PolarHBondContact O-N 3.31Å
665	D	63.6	Low	60.8	Low	40 Å²	40	61 Å²	61	21%	0.214	32%	0.32	C	S	.	.	H	α-helix	trans	-59.8	-38.6	176.1	-84.6	-57.2	0	0	0	112.9	R290 K661 T663 K669	R290-D665 IonicContact CZ-OD1 2.81Å; R290-D665 IonicContact CZ-OD2 3.54Å; R290-D665 IonicContact NH1-OD1 3.29Å; R290-D665 PolarHBondContact NH1-OD1 3.04Å; R290-D665 IonicContact NH1-OD2 3.52Å; R290-D665 PolarHBondContact NH1-OD2 3.4Å; R290-D665 IonicContact NH2-OD1 2.75Å; R290-D665 IonicContact NH2-OD2 3.33Å; R290-D665 PolarHBondContact NH2-OD2 2.99Å; K661-D665 WeakPolarHBondContact O-CB 2.81Å; K661-D665 PolarHBondContact O-N 2.95Å; K661-D665 VanDerWaalsContact O-OD2 3.09Å; T663-D665 VanDerWaalsContact C-N 3.31Å; T663-D665 PolarHBondContact O-N 3.22Å; D665-K669 WeakPolarHBondContact O-CG 3.38Å; D665-K669 PolarHBondContact O-N 2.8Å
666	R	64.7	Low	59.6	Low	115 Å²	115	60.3 Å²	60.3	43%	0.434	32%	0.316	S	S	.	.	H	α-helix	trans	-68.9	-42.2	173.5	-178.4	171.4	73.4	-148.4	8.6	111.7	E313 N662 T663 V664 K669 Q670	E313-R666 IonicContact OE1-CZ 2.71Å; E313-R666 IonicContact OE1-NH2 3.78Å; E313-R666 PolarHBondContact OE1-NH2 3.31Å; E313-R666 IonicContact OE2-CZ 3.73Å; E313-R666 IonicContact OE2-NE 3.67Å; E313-R666 IonicContact OE2-NH2 3.83Å; E313-R666 PolarHBondContact OE2-NH2 3.29Å; N662-R666 WeakPolarHBondContact O-CB 3.43Å; N662-R666 PolarHBondContact O-N 3.12Å; T663-R666 WeakPolarHBondContact O-CB 3.21Å; T663-R666 PolarHBondContact O-N 3Å; T663-R666 VanDerWaalsContact O-N 3.08Å; V664-R666 VanDerWaalsContact C-N 3.31Å; V664-R666 PolarHBondContact O-N 2.71Å; R666-K669 PolarHBondContact O-N 3.03Å; R666-Q670 PolarHBondContact O-N 3.09Å; R666-Q670 VanDerWaalsContact O-N 3.1Å
667	L	59.1	Low	58.8	Low	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.4	-42.3	-178.5	-71.9	-172.4	0	0	0	112.2	Y293 I297 E313 A316 Q317 T663 V664 K669 Q670	Y293-L667 HydrophobicContact CD1-CB 3.87Å; Y293-L667 HydrophobicContact CD1-CD1 3.92Å; Y293-L667 HydrophobicContact CE1-CB 3.89Å; Y293-L667 HydrophobicContact CE1-CD1 4.35Å; Y293-L667 HydrophobicContact CG-CB 4.4Å; I297-L667 HydrophobicContact CD1-CD1 4.24Å; E313-L667 HydrophobicContact CB-CD1 4.49Å; E313-L667 HydrophobicContact CB-CD2 4.14Å; E313-L667 HydrophobicContact CG-CD1 4.29Å; E313-L667 HydrophobicContact CG-CD2 4.31Å; E313-L667 HydrophobicContact CG-CG 4.48Å; A316-L667 HydrophobicContact CB-CD1 4.2Å; Q317-L667 HydrophobicContact CG-CD2 3.41Å; Q317-L667 VanDerWaalsContact CG-CD2 3.41Å; Q317-L667 HydrophobicContact CG-CG 4.46Å; T663-L667 HydrophobicContact CG2-CD1 4.09Å; T663-L667 HydrophobicContact CG2-CG 4.25Å; T663-L667 WeakPolarHBondContact O-CB 3.24Å; T663-L667 VanDerWaalsContact O-CG 3.26Å; T663-L667 WeakPolarHBondContact O-CG 3.2Å; T663-L667 PolarHBondContact O-N 3.33Å; V664-L667 PolarHBondContact O-N 3.2Å; V664-L667 VanDerWaalsContact O-N 3.16Å; L667-K669 PolarHBondContact O-N 2.99Å; L667-Q670 PolarHBondContact O-N 3.32Å
668	V	61.4	Low	58.5	Low	22 Å²	22	58.1 Å²	58.1	13%	0.133	31%	0.307	C	S	.	.	H	α-helix	trans	-64.3	-31.6	176.7	178.1	0	0	0	0	111.4	F286 R290 Y293 V664	F286-V668 HydrophobicContact CD2-CG1 3.74Å; F286-V668 HydrophobicContact CE1-CG1 4.45Å; F286-V668 HydrophobicContact CE2-CB 4.39Å; F286-V668 HydrophobicContact CE2-CG1 3.23Å; F286-V668 HydrophobicContact CZ-CB 4.48Å; F286-V668 HydrophobicContact CZ-CG1 3.64Å; R290-V668 HydrophobicContact CB-CG2 4.14Å; R290-V668 HydrophobicContact CG-CG2 4.3Å; Y293-V668 HydrophobicContact CD2-CG2 3.75Å; Y293-V668 HydrophobicContact CE2-CG2 4.22Å; Y293-V668 HydrophobicContact CG-CG2 4.48Å; V664-V668 HydrophobicContact CG1-CG2 4.36Å; V664-V668 VanDerWaalsContact O-CG2 3.3Å; V664-V668 WeakPolarHBondContact O-CG2 3.44Å; V664-V668 PolarHBondContact O-N 3.31Å
669	K	56.1	Low	58.6	Low	141 Å²	141	53.4 Å²	53.4	61%	0.613	28%	0.278	S	S	*	.	H	α-helix	trans	-78.1	-23.1	176.5	-70.9	176.6	-177.3	-179.6	0	113.8	D665 R666 L667 G671	D665-K669 WeakPolarHBondContact O-CG 3.38Å; D665-K669 PolarHBondContact O-N 2.8Å; R666-K669 PolarHBondContact O-N 3.03Å; L667-K669 PolarHBondContact O-N 2.99Å; K669-G671 PolarHBondContact O-N 2.96Å
670	Q	53.3	Low	59.1	Low	99 Å²	99	49.7 Å²	49.7	46%	0.463	27%	0.267	S	S	.	.	S	Bend	trans	-87.1	98.5	178.9	-73.9	-176.2	-15.3	0	0	109.7	R666 L667	R666-Q670 PolarHBondContact O-N 3.09Å; R666-Q670 VanDerWaalsContact O-N 3.1Å; L667-Q670 PolarHBondContact O-N 3.32Å
671	G	50.7	Low	59.9	Low	50 Å²	50	50.7 Å²	50.7	52%	0.515	28%	0.276	S	S	.	.			trans	-55.7	157.8	-168.7	0	0	0	0	0	117.9	K669	K669-G671 PolarHBondContact O-N 2.96Å
672	T	50.2	Low	60.9	Low	51 Å²	51	52.5 Å²	52.5	31%	0.313	28%	0.28	S	S	.	.			trans	-84.7	150.4	-164.9	-50.3	0	0	0	0	113.8	A674	T672-A674 VanDerWaalsContact C-N 3.26Å; T672-A674 PolarHBondContact O-N 3.03Å
673	L	48.5	Very low	61.7	Low	12 Å²	12	55 Å²	55	6%	0.063	29%	0.286	C	S	.	.	S	Bend	trans	38.1	-37	163.9	-134.6	122.9	0	0	0	122.1	L321 Y330 L675 V676 V677	L321-L673 HydrophobicContact CD1-CB 3.85Å; L321-L673 HydrophobicContact CD1-CD1 3.64Å; L321-L673 HydrophobicContact CD1-CG 3.8Å; L321-L673 HydrophobicContact CG-CD1 3.84Å; L321-L673 HydrophobicContact CG-CG 4.41Å; Y330-L673 HydrophobicContact CD2-CD2 4.01Å; Y330-L673 HydrophobicContact CG-CD2 4.43Å; L673-L675 VanDerWaalsContact C-N 3.25Å; L673-L675 PolarHBondContact O-N 2.94Å; L673-V676 WeakPolarHBondContact O-CB 3.44Å; L673-V676 PolarHBondContact O-N 2.79Å; L673-V677 HydrophobicContact CD2-CG2 4.06Å; L673-V677 PolarHBondContact O-N 2.9Å
674	A	47.1	Very low	62.4	Low	27 Å²	27	56.7 Å²	56.7	22%	0.223	29%	0.293	C	S	.	.	H	α-helix	trans	-54.8	-41.3	-179.9	0	0	0	0	0	112.4	S90 T672 V676 V677 G678	S90-A674 VanDerWaalsContact OG-CB 3.23Å; S90-A674 WeakPolarHBondContact OG-CB 3.12Å; T672-A674 VanDerWaalsContact C-N 3.26Å; T672-A674 PolarHBondContact O-N 3.03Å; A674-V676 PolarHBondContact O-N 2.9Å; A674-V677 PolarHBondContact O-N 3.21Å; A674-G678 PolarHBondContact O-N 3.25Å
675	L	48.8	Very low	63.4	Low	165 Å²	165	56.7 Å²	56.7	86%	0.864	29%	0.293	S	S	*	.	H	α-helix	trans	-65.9	-23.1	178.3	-153.5	99.4	0	0	0	113.2	L673	L673-L675 VanDerWaalsContact C-N 3.25Å; L673-L675 PolarHBondContact O-N 2.94Å
676	V	53.9	Low	64.6	Low	17 Å²	17	57.5 Å²	57.5	10%	0.103	30%	0.295	C	S	.	.	H	α-helix	trans	-84.8	-25.3	-175.7	167.8	0	0	0	0	112	L321 V345 A349 L673 A674	L321-V676 HydrophobicContact CD1-CG2 4.12Å; L321-V676 HydrophobicContact CD2-CG1 4.39Å; L321-V676 HydrophobicContact CD2-CG2 3.96Å; V345-V676 HydrophobicContact CG1-CG1 4.18Å; A349-V676 HydrophobicContact CB-CB 4.08Å; A349-V676 HydrophobicContact CB-CG1 3.57Å; A349-V676 HydrophobicContact CB-CG2 3.83Å; L673-V676 WeakPolarHBondContact O-CB 3.44Å; L673-V676 PolarHBondContact O-N 2.79Å; A674-V676 PolarHBondContact O-N 2.9Å
677	V	56.3	Low	65.5	Low	4 Å²	4	56.2 Å²	56.2	2%	0.024	30%	0.295	C	S	.	.	H	α-helix	trans	-91	-36.1	-175.4	179.9	0	0	0	0	111.8	A83 E86 M333 V345 L673 A674	A83-V677 HydrophobicContact CB-CG1 4.4Å; E86-V677 HydrophobicContact CG-CG1 4.5Å; M333-V677 HydrophobicContact CE-CG1 3.27Å; M333-V677 HydrophobicContact CE-CG2 4.48Å; M333-V677 HydrophobicContact SD-CG1 3.32Å; M333-V677 WeakPolarHBondContact SD-CG1 3.38Å; V345-V677 HydrophobicContact CG1-CG2 4.16Å; L673-V677 HydrophobicContact CD2-CG2 4.06Å; L673-V677 PolarHBondContact O-N 2.9Å; A674-V677 PolarHBondContact O-N 3.21Å
678	G	59.9	Low	66.4	Low	10 Å²	10	57.3 Å²	57.3	10%	0.103	30%	0.3	C	S	.	.			trans	-61.8	148.7	-177.2	0	0	0	0	0	113.2	A674 T731	A674-G678 PolarHBondContact O-N 3.25Å; G678-T731 WeakPolarHBondContact CA-OG1 3.44Å
679	T	66.3	Low	67.5	Low	2 Å²	2	56.4 Å²	56.4	1%	0.012	30%	0.296	C	S	.	.			trans	-100.4	131.4	162.5	57	0	0	0	0	108.7	Q685 P730 T731	T679-Q685 HydrophobicContact CG2-CG 4.19Å; T679-Q685 PolarHBondContact OG1-NE2 3.49Å; T679-Q685 VanDerWaalsContact OG1-NE2 3.09Å; T679-P730 WeakPolarHBondContact O-CB 3.42Å; T679-T731 PolarHBondContact N-OG1 2.89Å; T679-T731 PolarHBondContact O-N 3.11Å; T679-T731 PolarHBondContact O-OG1 3.18Å
680	S	73.2	Confident	68.9	Low	56 Å²	56	55 Å²	55	39%	0.392	29%	0.294	S	S	.	.			trans	-90.5	-31.9	-174.6	86.7	0	0	0	0	112.7	E684 D732	S680-E684 PolarHBondContact N-OE2 2.76Å; S680-E684 PolarHBondContact OG-OE1 3.39Å; S680-E684 PolarHBondContact OG-OE2 2.86Å; S680-D732 WeakPolarHBondContact CA-OD2 3.27Å; S680-D732 WeakPolarHBondContact CB-OD2 3.38Å
681	S	82.6	Confident	70.2	Confident	35 Å²	35	53.2 Å²	53.2	25%	0.245	29%	0.29	C	S	.	.			trans	-135.9	150.2	-172.7	70.3	0	0	0	0	113.5	K683 E684 Q685	S681-K683 PolarHBondContact O-N 3.05Å; S681-E684 PolarHBondContact N-OE2 3.08Å; S681-E684 WeakPolarHBondContact O-CB 3.4Å; S681-E684 PolarHBondContact O-N 3.26Å; S681-E684 WeakPolarHBondContact OG-CG 3.4Å; S681-E684 PolarHBondContact OG-N 3Å; S681-E684 PolarHBondContact OG-OE1 3.14Å; S681-Q685 PolarHBondContact O-N 2.75Å
682	W	87	Confident	71.6	Confident	139 Å²	139	52.6 Å²	52.6	53%	0.527	28%	0.275	S	S	.	.	H	α-helix	trans	-59.3	-35.7	170.5	-81.7	-14.6	0	0	0	112.2	E684 Q685 F686 P730	W682-E684 VanDerWaalsContact C-N 3.28Å; W682-E684 PolarHBondContact O-N 3.48Å; W682-Q685 VanDerWaalsContact CD1-OE1 3.25Å; W682-Q685 WeakPolarHBondContact O-CB 3.37Å; W682-Q685 PolarHBondContact O-N 3.15Å; W682-F686 VanDerWaalsContact O-CD2 3.29Å; W682-F686 WeakPolarHBondContact O-CD2 3.34Å; W682-F686 PolarHBondContact O-N 3.35Å; W682-P730 VanDerWaalsContact CD1-CD 3.5Å; W682-P730 HydrophobicContact CG-CG 4.34Å
683	K	82.8	Confident	72.4	Confident	159 Å²	159	52.6 Å²	52.6	69%	0.691	28%	0.278	S	S	*	.	H	α-helix	trans	-54.4	-47.1	175.5	-177	-176.1	174.6	-171.4	0	110.8	S681 Q685 F686 I687	S681-K683 PolarHBondContact O-N 3.05Å; K683-Q685 VanDerWaalsContact C-N 3.34Å; K683-Q685 PolarHBondContact O-N 2.94Å; K683-F686 PolarHBondContact O-N 3.4Å; K683-I687 HydrophobicContact CG-CD1 3.87Å; K683-I687 WeakPolarHBondContact O-CD1 3.26Å; K683-I687 VanDerWaalsContact O-CG1 3.23Å; K683-I687 WeakPolarHBondContact O-CG1 3.41Å; K683-I687 PolarHBondContact O-N 2.97Å
684	E	79.6	Confident	73	Confident	46 Å²	46	52.6 Å²	52.6	22%	0.215	28%	0.279	C	S	.	.	H	α-helix	trans	-60.3	-42.7	174.8	-76.6	154.1	-135.7	0	0	112.3	S680 S681 W682 F686 I687 E688	S680-E684 PolarHBondContact N-OE2 2.76Å; S680-E684 PolarHBondContact OG-OE1 3.39Å; S680-E684 PolarHBondContact OG-OE2 2.86Å; S681-E684 PolarHBondContact N-OE2 3.08Å; S681-E684 WeakPolarHBondContact O-CB 3.4Å; S681-E684 PolarHBondContact O-N 3.26Å; S681-E684 WeakPolarHBondContact OG-CG 3.4Å; S681-E684 PolarHBondContact OG-N 3Å; S681-E684 PolarHBondContact OG-OE1 3.14Å; W682-E684 VanDerWaalsContact C-N 3.28Å; W682-E684 PolarHBondContact O-N 3.48Å; E684-F686 PolarHBondContact O-N 2.72Å; E684-I687 PolarHBondContact O-N 3.49Å; E684-E688 VanDerWaalsContact O-CB 3.24Å; E684-E688 WeakPolarHBondContact O-CB 3.48Å; E684-E688 PolarHBondContact O-N 2.69Å
685	Q	86	Confident	73.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.9	-41	-179.1	-64.1	-176	-27.5	0	0	112.6	T679 S681 W682 K683 E688 A689 A726 V728 P730	T679-Q685 HydrophobicContact CG2-CG 4.19Å; T679-Q685 PolarHBondContact OG1-NE2 3.49Å; T679-Q685 VanDerWaalsContact OG1-NE2 3.09Å; S681-Q685 PolarHBondContact O-N 2.75Å; W682-Q685 VanDerWaalsContact CD1-OE1 3.25Å; W682-Q685 WeakPolarHBondContact O-CB 3.37Å; W682-Q685 PolarHBondContact O-N 3.15Å; K683-Q685 VanDerWaalsContact C-N 3.34Å; K683-Q685 PolarHBondContact O-N 2.94Å; Q685-E688 PolarHBondContact O-N 3.49Å; Q685-A689 VanDerWaalsContact O-CB 3.32Å; Q685-A689 WeakPolarHBondContact O-CB 3.06Å; Q685-A689 PolarHBondContact O-N 2.9Å; Q685-A726 HydrophobicContact CB-CB 4.23Å; Q685-A726 PolarHBondContact OE1-O 3.25Å; Q685-V728 PolarHBondContact NE2-O 3.3Å; Q685-V728 PolarHBondContact OE1-O 3.43Å; Q685-P730 VanDerWaalsContact NE2-CA 3.34Å
686	F	88.8	Confident	73.5	Confident	58 Å²	58	46.8 Å²	46.8	25%	0.254	26%	0.262	S	S	.	.	H	α-helix	trans	-69	-39.8	175.9	-81.5	-76.3	0	0	0	112.2	W682 K683 E684 A689 I690 V723 A726 F727	W682-F686 VanDerWaalsContact O-CD2 3.29Å; W682-F686 WeakPolarHBondContact O-CD2 3.34Å; W682-F686 PolarHBondContact O-N 3.35Å; K683-F686 PolarHBondContact O-N 3.4Å; E684-F686 PolarHBondContact O-N 2.72Å; F686-A689 PolarHBondContact O-N 2.81Å; F686-I690 WeakPolarHBondContact O-CD1 3.4Å; F686-I690 VanDerWaalsContact O-CG1 3.32Å; F686-I690 WeakPolarHBondContact O-CG1 3.24Å; F686-I690 PolarHBondContact O-N 3.39Å; F686-V723 HydrophobicContact CE1-CG1 4.46Å; F686-A726 HydrophobicContact CD1-CB 3.93Å; F686-A726 HydrophobicContact CD2-CB 4.4Å; F686-A726 HydrophobicContact CE1-CB 3.92Å; F686-A726 HydrophobicContact CE2-CB 4.38Å; F686-A726 HydrophobicContact CG-CB 4.17Å; F686-A726 HydrophobicContact CZ-CB 4.14Å; F686-F727 HydrophobicContact CE1-CD2 4.45Å; F686-F727 HydrophobicContact CE1-CE2 4.01Å; F686-F727 HydrophobicContact CE1-CZ 4.1Å; F686-F727 HydrophobicContact CZ-CD1 4.02Å; F686-F727 HydrophobicContact CZ-CD2 4.08Å; F686-F727 AromaticContact CZ-CE1 3.81Å; F686-F727 HydrophobicContact CZ-CE1 3.81Å; F686-F727 AromaticContact CZ-CE2 3.88Å; F686-F727 HydrophobicContact CZ-CE2 3.88Å; F686-F727 HydrophobicContact CZ-CG 4.16Å; F686-F727 AromaticContact CZ-CZ 3.74Å; F686-F727 HydrophobicContact CZ-CZ 3.74Å
687	I	83.9	Confident	73.2	Confident	88 Å²	88	51.2 Å²	51.2	45%	0.451	29%	0.285	S	S	.	.	H	α-helix	trans	-62.9	-45.3	174.6	-67.9	167.9	0	0	0	109.8	K683 E684 A689 I690 T691	K683-I687 HydrophobicContact CG-CD1 3.87Å; K683-I687 WeakPolarHBondContact O-CD1 3.26Å; K683-I687 VanDerWaalsContact O-CG1 3.23Å; K683-I687 WeakPolarHBondContact O-CG1 3.41Å; K683-I687 PolarHBondContact O-N 2.97Å; E684-I687 PolarHBondContact O-N 3.49Å; I687-A689 VanDerWaalsContact C-N 3.31Å; I687-A689 PolarHBondContact O-N 3.21Å; I687-I690 PolarHBondContact O-N 3.5Å; I687-T691 HydrophobicContact CG2-CG2 3.88Å; I687-T691 WeakPolarHBondContact O-CB 3.2Å; I687-T691 WeakPolarHBondContact O-CG2 3.31Å; I687-T691 PolarHBondContact O-N 2.92Å; I687-T691 PolarHBondContact O-OG1 3.38Å
688	E	78.7	Confident	72.8	Confident	22 Å²	22	53 Å²	53	10%	0.103	30%	0.296	C	S	.	.	H	α-helix	trans	-61.2	-39	176.2	-174.6	-173.1	173.6	0	0	112.1	R80 R337 E684 Q685 I690	R80-E688 IonicContact CZ-OE2 3.89Å; R80-E688 IonicContact NH1-OE2 2.81Å; R80-E688 IonicContact NH2-OE1 3.96Å; R80-E688 IonicContact NH2-OE2 2.87Å; R80-E688 PolarHBondContact NH2-OE2 3.1Å; R337-E688 IonicContact CZ-OE1 3.66Å; R337-E688 IonicContact NE-OE1 3.2Å; R337-E688 PolarHBondContact NE-OE1 3.32Å; R337-E688 IonicContact NH2-OE1 3.73Å; R337-E688 PolarHBondContact NH2-OE1 2.96Å; R337-E688 IonicContact NH2-OE2 3.46Å; E684-E688 VanDerWaalsContact O-CB 3.24Å; E684-E688 WeakPolarHBondContact O-CB 3.48Å; E684-E688 PolarHBondContact O-N 2.69Å; Q685-E688 PolarHBondContact O-N 3.49Å; E688-I690 VanDerWaalsContact C-N 3.28Å; E688-I690 PolarHBondContact O-N 3.31Å
689	A	84.4	Confident	72.1	Confident	4 Å²	4	59.2 Å²	59.2	3%	0.033	33%	0.327	C	S	.	.	H	α-helix	trans	-65	-32.3	179.2	0	0	0	0	0	113	Q685 F686 I687 H715 K722 V723 A726	Q685-A689 VanDerWaalsContact O-CB 3.32Å; Q685-A689 WeakPolarHBondContact O-CB 3.06Å; Q685-A689 PolarHBondContact O-N 2.9Å; F686-A689 PolarHBondContact O-N 2.81Å; I687-A689 VanDerWaalsContact C-N 3.31Å; I687-A689 PolarHBondContact O-N 3.21Å; A689-H715 PolarHBondContact O-CE1 2.95Å; A689-H715 VanDerWaalsContact O-CE1 3.23Å; A689-K722 HydrophobicContact CB-CB 3.89Å; A689-V723 HydrophobicContact CB-CG2 4.32Å; A689-A726 HydrophobicContact CB-CB 4.13Å
690	I	85.6	Confident	70.8	Confident	112 Å²	112	62.6 Å²	62.6	57%	0.574	35%	0.345	S	S	*	.	H	α-helix	trans	-98.2	-24.9	-173.7	-60.7	166.3	0	0	0	112.2	F686 I687 E688 H715 V723	F686-I690 WeakPolarHBondContact O-CD1 3.4Å; F686-I690 VanDerWaalsContact O-CG1 3.32Å; F686-I690 WeakPolarHBondContact O-CG1 3.24Å; F686-I690 PolarHBondContact O-N 3.39Å; I687-I690 PolarHBondContact O-N 3.5Å; E688-I690 VanDerWaalsContact C-N 3.28Å; E688-I690 PolarHBondContact O-N 3.31Å; I690-H715 PolarHBondContact O-NE2 2.84Å; I690-V723 HydrophobicContact CG1-CG2 4.47Å
691	T	81	Confident	69.2	Low	61 Å²	61	67.2 Å²	67.2	37%	0.374	37%	0.365	S	S	.	.			trans	-82.2	143.8	-179.9	54	0	0	0	0	112.1	I687 H715	I687-T691 HydrophobicContact CG2-CG2 3.88Å; I687-T691 WeakPolarHBondContact O-CB 3.2Å; I687-T691 WeakPolarHBondContact O-CG2 3.31Å; I687-T691 PolarHBondContact O-N 2.92Å; I687-T691 PolarHBondContact O-OG1 3.38Å; T691-H715 PolarHBondContact O-CE1 3.02Å; T691-H715 VanDerWaalsContact O-CE1 3.3Å
692	V	78.4	Confident	67	Low	36 Å²	36	72.6 Å²	72.6	22%	0.218	39%	0.386	C	S	.	.			trans	-102.5	127.4	170.7	-175.4	0	0	0	0	107.6	P707 D711 Y712 H715	V692-P707 HydrophobicContact CG1-CB 3.77Å; V692-P707 HydrophobicContact CG1-CG 4.25Å; V692-D711 HydrophobicContact CG1-CB 4.27Å; V692-Y712 HydrophobicContact CB-CD1 4.44Å; V692-Y712 HydrophobicContact CB-CE1 4.16Å; V692-Y712 HydrophobicContact CG1-CD1 4.33Å; V692-Y712 HydrophobicContact CG1-CE1 4.29Å; V692-Y712 HydrophobicContact CG2-CD1 3.93Å; V692-Y712 HydrophobicContact CG2-CE1 3.98Å; V692-H715 HydrophobicContact CG2-CB 3.84Å; V692-H715 VanDerWaalsContact CG2-CG 3.46Å
693	S	68	Low	65.1	Low	52 Å²	52	69.2 Å²	69.2	36%	0.364	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-121	137.6	176.9	-72.7	0	0	0	0	110.1	G341 G343 G695	G341-S693 PolarHBondContact O-N 3.05Å; G341-S693 VanDerWaalsContact O-N 3.11Å; G343-S693 VanDerWaalsContact CA-CB 3.5Å; G343-S693 PolarHBondContact N-O 3.13Å; S693-G695 PolarHBondContact O-N 3.4Å
694	A	61.3	Low	63.6	Low	11 Å²	11	69.5 Å²	69.5	9%	0.091	40%	0.399	C	S	.	.			trans	-66	133.4	178.9	0	0	0	0	0	111.8	G696 K705 P707	A694-G696 PolarHBondContact O-N 3.49Å; A694-K705 WeakPolarHBondContact CB-O 3.15Å; A694-P707 HydrophobicContact CB-CB 4.41Å
695	G	54.9	Low	62.5	Low	46 Å²	46	72.4 Å²	72.4	47%	0.474	41%	0.411	S	S	.	.			trans	-83.7	94.6	170.9	0	0	0	0	0	110.8	S693	S693-G695 PolarHBondContact O-N 3.4Å
696	G	51.2	Low	61.6	Low	25 Å²	25	79.7 Å²	79.7	26%	0.258	45%	0.449	S	S	.	.			trans	-141.2	151.2	171.9	0	0	0	0	0	110.9	A694	A694-G696 PolarHBondContact O-N 3.49Å
697	D	47.1	Very low	60.7	Low	109 Å²	109	78.2 Å²	78.2	58%	0.583	45%	0.445	S	S	*	.			trans	-66.8	151	173.1	-72.1	-37.4	0	0	0	110.8	D699	D697-D699 PolarHBondContact O-N 3.48Å
698	V	48	Very low	60.5	Low	41 Å²	41	77.8 Å²	77.8	25%	0.248	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-10.3	-175.6	-173.6	0	0	0	0	111.6	I346 D700	I346-V698 HydrophobicContact CG2-CG2 4.5Å; V698-D700 PolarHBondContact O-N 2.63Å
699	D	44.5	Very low	60.6	Low	141 Å²	141	82 Å²	82	75%	0.754	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-5.6	-173.2	-64.5	-20.4	0	0	0	113.9	D697 D701	D697-D699 PolarHBondContact O-N 3.48Å; D699-D701 PolarHBondContact O-N 2.94Å
700	D	39.8	Very low	60.4	Low	73 Å²	73	88.5 Å²	88.5	39%	0.39	51%	0.508	S	S	.	.			trans	-89.5	106	168	-61.7	-38.3	0	0	0	108.3	V698 E702 K705	V698-D700 PolarHBondContact O-N 2.63Å; D700-E702 HydrophobicContact CB-CB 4.16Å; D700-E702 PolarHBondContact O-N 3.36Å; D700-K705 IonicContact OD2-NZ 2.79Å; D700-K705 PolarHBondContact OD2-NZ 3.41Å
701	D	40.7	Very low	60.1	Low	154 Å²	154	84.2 Å²	84.2	82%	0.824	49%	0.487	S	S	*	.			trans	-58.6	0.3	158.5	-79.3	-42.5	0	0	0	112.1	D699	D699-D701 PolarHBondContact O-N 2.94Å
702	E	35.8	Very low	60.3	Low	147 Å²	147	87.4 Å²	87.4	69%	0.687	49%	0.493	S	S	*	.	S	Bend	trans	-77.7	131.6	171.6	-57	-169.9	165.5	0	0	110.7	D700	D700-E702 HydrophobicContact CB-CB 4.16Å; D700-E702 PolarHBondContact O-N 3.36Å
703	G	46.4	Very low	60.6	Low	68 Å²	68	89.6 Å²	89.6	70%	0.701	51%	0.506	S	S	*	.			trans	-47	163.7	-171.3	0	0	0	0	0	116.4	K705	G703-K705 PolarHBondContact O-N 2.88Å
704	E	51.1	Low	61.4	Low	166 Å²	166	90 Å²	90	78%	0.776	50%	0.503	S	S	*	.			trans	-36.2	98.2	-177.1	-63.3	179.4	169.4	0	0	113.7	L706	E704-L706 PolarHBondContact O-N 3.46Å; E704-L706 VanDerWaalsContact O-N 3.17Å
705	K	56.1	Low	62.6	Low	107 Å²	107	90.4 Å²	90.4	47%	0.465	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-58	123.5	170.5	-75.6	178.1	175.8	169.3	0	108.6	A694 D700 G703	A694-K705 WeakPolarHBondContact CB-O 3.15Å; D700-K705 IonicContact OD2-NZ 2.79Å; D700-K705 PolarHBondContact OD2-NZ 3.41Å; G703-K705 PolarHBondContact O-N 2.88Å
706	L	68.2	Low	64.2	Low	152 Å²	152	95.9 Å²	95.9	80%	0.796	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-67.7	146.7	174.2	-71.9	162.2	0	0	0	110	E704	E704-L706 PolarHBondContact O-N 3.46Å; E704-L706 VanDerWaalsContact O-N 3.17Å
707	P	70.8	Confident	66	Low	28 Å²	28	98.6 Å²	98.6	18%	0.182	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-61.2	142.1	177.8	23.4	-32.7	0	0	0	111.8	V692 A694 D711 Y712	V692-P707 HydrophobicContact CG1-CB 3.77Å; V692-P707 HydrophobicContact CG1-CG 4.25Å; A694-P707 HydrophobicContact CB-CB 4.41Å; P707-D711 HydrophobicContact CB-CB 4.29Å; P707-Y712 HydrophobicContact CB-CE2 3.97Å; P707-Y712 HydrophobicContact CG-CE2 3.64Å; P707-Y712 WeakPolarHBondContact CG-OH 3.35Å
708	T	78.3	Confident	68	Low	79 Å²	79	93.4 Å²	93.4	49%	0.485	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-77.5	159.6	179.8	69.7	0	0	0	0	111.1	M710 D711 Y712	T708-M710 PolarHBondContact O-N 3.44Å; T708-M710 VanDerWaalsContact O-N 3.17Å; T708-D711 WeakPolarHBondContact CB-OD2 3.34Å; T708-D711 PolarHBondContact N-OD2 3.08Å; T708-D711 WeakPolarHBondContact O-CB 3.22Å; T708-D711 PolarHBondContact O-N 2.88Å; T708-D711 PolarHBondContact OG1-N 3.36Å; T708-D711 PolarHBondContact OG1-OD2 3.48Å; T708-Y712 WeakPolarHBondContact O-CD2 3.32Å; T708-Y712 PolarHBondContact O-N 3.07Å
709	C	81.9	Confident	70	Confident	109 Å²	109	93.6 Å²	93.6	74%	0.736	50%	0.495	S	S	*	.	H	α-helix	trans	-56.7	-32.5	175.5	-60.3	0	0	0	0	112.7	D711 Y712 V713	C709-D711 VanDerWaalsContact C-N 3.35Å; C709-Y712 PolarHBondContact O-N 3.38Å; C709-V713 WeakPolarHBondContact O-CG2 3.49Å; C709-V713 PolarHBondContact O-N 3.42Å
710	M	78.8	Confident	72.4	Confident	141 Å²	141	92.3 Å²	92.3	70%	0.695	48%	0.484	S	S	*	.	H	α-helix	trans	-68.5	-34.8	176.9	-69.5	-67.2	-99.1	0	0	111.8	T708 Y712 V713 M714	T708-M710 PolarHBondContact O-N 3.44Å; T708-M710 VanDerWaalsContact O-N 3.17Å; M710-Y712 VanDerWaalsContact C-N 3.34Å; M710-Y712 PolarHBondContact O-N 3.41Å; M710-V713 PolarHBondContact O-N 3.21Å; M710-M714 WeakPolarHBondContact O-CB 3.34Å; M710-M714 WeakPolarHBondContact O-CG 3.39Å; M710-M714 PolarHBondContact O-N 3.44Å
711	D	80.5	Confident	74.9	Confident	23 Å²	23	89.6 Å²	89.6	12%	0.123	47%	0.468	C	S	.	.	H	α-helix	trans	-64	-41	176.4	-59	-39.6	0	0	0	111.1	V692 P707 T708 C709 M714 H715	V692-D711 HydrophobicContact CG1-CB 4.27Å; P707-D711 HydrophobicContact CB-CB 4.29Å; T708-D711 WeakPolarHBondContact CB-OD2 3.34Å; T708-D711 PolarHBondContact N-OD2 3.08Å; T708-D711 WeakPolarHBondContact O-CB 3.22Å; T708-D711 PolarHBondContact O-N 2.88Å; T708-D711 PolarHBondContact OG1-N 3.36Å; T708-D711 PolarHBondContact OG1-OD2 3.48Å; C709-D711 VanDerWaalsContact C-N 3.35Å; D711-M714 PolarHBondContact O-N 2.88Å; D711-H715 WeakPolarHBondContact O-CB 3.44Å; D711-H715 PolarHBondContact O-N 3.43Å
712	Y	84.4	Confident	77.3	Confident	127 Å²	127	82.9 Å²	82.9	50%	0.498	43%	0.431	S	S	.	.	H	α-helix	trans	-64.3	-42.6	174.9	-76.1	-74	0	0	0	112.7	V692 P707 T708 C709 M710 H715 F716	V692-Y712 HydrophobicContact CB-CD1 4.44Å; V692-Y712 HydrophobicContact CB-CE1 4.16Å; V692-Y712 HydrophobicContact CG1-CD1 4.33Å; V692-Y712 HydrophobicContact CG1-CE1 4.29Å; V692-Y712 HydrophobicContact CG2-CD1 3.93Å; V692-Y712 HydrophobicContact CG2-CE1 3.98Å; P707-Y712 HydrophobicContact CB-CE2 3.97Å; P707-Y712 HydrophobicContact CG-CE2 3.64Å; P707-Y712 WeakPolarHBondContact CG-OH 3.35Å; T708-Y712 WeakPolarHBondContact O-CD2 3.32Å; T708-Y712 PolarHBondContact O-N 3.07Å; C709-Y712 PolarHBondContact O-N 3.38Å; M710-Y712 VanDerWaalsContact C-N 3.34Å; M710-Y712 PolarHBondContact O-N 3.41Å; Y712-H715 PolarHBondContact O-N 3.23Å; Y712-F716 WeakPolarHBondContact O-CB 3.14Å; Y712-F716 PolarHBondContact O-N 3.25Å
713	V	86	Confident	80	Confident	82 Å²	82	78.3 Å²	78.3	50%	0.497	41%	0.413	S	S	.	.	H	α-helix	trans	-63.7	-47	177.7	173	0	0	0	0	110.6	C709 M710 H715 F716 L717	C709-V713 WeakPolarHBondContact O-CG2 3.49Å; C709-V713 PolarHBondContact O-N 3.42Å; M710-V713 PolarHBondContact O-N 3.21Å; V713-H715 VanDerWaalsContact C-N 3.34Å; V713-H715 PolarHBondContact O-N 2.91Å; V713-F716 PolarHBondContact O-N 3.42Å; V713-L717 HydrophobicContact CG1-CD1 4.3Å; V713-L717 WeakPolarHBondContact O-CG 3.28Å; V713-L717 PolarHBondContact O-N 3.47Å
714	M	83.7	Confident	82.3	Confident	62 Å²	62	78.9 Å²	78.9	31%	0.305	40%	0.4	S	S	.	.	H	α-helix	trans	-64.8	-38.9	177.3	-70.4	-57.2	-66.3	0	0	111.8	L339 M710 D711 L717 T718	L339-M714 VanDerWaalsContact O-CB 3.3Å; L339-M714 WeakPolarHBondContact O-CB 3.45Å; L339-M714 WeakPolarHBondContact O-CE 3.21Å; M710-M714 WeakPolarHBondContact O-CB 3.34Å; M710-M714 WeakPolarHBondContact O-CG 3.39Å; M710-M714 PolarHBondContact O-N 3.44Å; D711-M714 PolarHBondContact O-N 2.88Å; M714-L717 PolarHBondContact O-N 3.47Å; M714-T718 WeakPolarHBondContact O-CB 3.46Å; M714-T718 WeakPolarHBondContact O-CG2 2.92Å; M714-T718 PolarHBondContact O-N 3.04Å; M714-T718 PolarHBondContact O-OG1 3.35Å
715	H	86.1	Confident	84.3	Confident	18 Å²	18	71.2 Å²	71.2	8%	0.083	36%	0.364	C	S	.	.	H	α-helix	trans	-61.6	-47.4	174.1	-177.1	99.5	0	0	0	111	A689 I690 T691 V692 D711 Y712 V713 L717 T718 V719 K722	A689-H715 PolarHBondContact O-CE1 2.95Å; A689-H715 VanDerWaalsContact O-CE1 3.23Å; I690-H715 PolarHBondContact O-NE2 2.84Å; T691-H715 PolarHBondContact O-CE1 3.02Å; T691-H715 VanDerWaalsContact O-CE1 3.3Å; V692-H715 HydrophobicContact CG2-CB 3.84Å; V692-H715 VanDerWaalsContact CG2-CG 3.46Å; D711-H715 WeakPolarHBondContact O-CB 3.44Å; D711-H715 PolarHBondContact O-N 3.43Å; Y712-H715 PolarHBondContact O-N 3.23Å; V713-H715 VanDerWaalsContact C-N 3.34Å; V713-H715 PolarHBondContact O-N 2.91Å; H715-L717 VanDerWaalsContact C-N 3.31Å; H715-L717 PolarHBondContact O-N 2.88Å; H715-T718 WeakPolarHBondContact CA-OG1 3.41Å; H715-T718 CarbonylContact O-C 3.57Å; H715-T718 PolarHBondContact O-N 3.25Å; H715-T718 VanDerWaalsContact O-N 3.08Å; H715-T718 PolarHBondContact O-OG1 3.2Å; H715-V719 WeakPolarHBondContact O-CA 3.25Å; H715-V719 WeakPolarHBondContact O-CB 3.31Å; H715-V719 PolarHBondContact O-N 3.2Å; H715-K722 PolarHBondContact ND1-NZ 3.48Å; H715-K722 VanDerWaalsContact ND1-NZ 3.15Å
716	F	88.3	Confident	85.9	Confident	162 Å²	162	66.1 Å²	66.1	71%	0.711	34%	0.342	S	S	*	.	H	α-helix	trans	-61.5	-38	178.9	-175.1	-96.2	0	0	0	112.8	Y712 V713 T718 V719	Y712-F716 WeakPolarHBondContact O-CB 3.14Å; Y712-F716 PolarHBondContact O-N 3.25Å; V713-F716 PolarHBondContact O-N 3.42Å; F716-T718 VanDerWaalsContact C-N 3.34Å; F716-V719 WeakPolarHBondContact O-CG1 3.49Å
717	L	88.5	Confident	87.1	Confident	82 Å²	82	65 Å²	65	43%	0.429	33%	0.331	S	S	.	.	H	α-helix	trans	-68.8	-32.6	175	-69.1	174.4	0	0	0	112.7	Y69 L72 V713 M714 H715	Y69-L717 WeakPolarHBondContact CE2-O 2.84Å; L72-L717 HydrophobicContact CD2-CB 4.45Å; V713-L717 HydrophobicContact CG1-CD1 4.3Å; V713-L717 WeakPolarHBondContact O-CG 3.28Å; V713-L717 PolarHBondContact O-N 3.47Å; M714-L717 PolarHBondContact O-N 3.47Å; H715-L717 VanDerWaalsContact C-N 3.31Å; H715-L717 PolarHBondContact O-N 2.88Å
718	T	89.7	Confident	88.1	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-94.5	-14.6	-175.5	55.6	0	0	0	0	113.9	L72 I76 T340 M714 H715 F716 F720 W721 K722	L72-T718 HydrophobicContact CD1-CG2 3.65Å; L72-T718 HydrophobicContact CD2-CG2 3.55Å; L72-T718 HydrophobicContact CG-CG2 3.7Å; I76-T718 HydrophobicContact CD1-CG2 3.86Å; T340-T718 HydrophobicContact CG2-CG2 3.81Å; M714-T718 WeakPolarHBondContact O-CB 3.46Å; M714-T718 WeakPolarHBondContact O-CG2 2.92Å; M714-T718 PolarHBondContact O-N 3.04Å; M714-T718 PolarHBondContact O-OG1 3.35Å; H715-T718 WeakPolarHBondContact CA-OG1 3.41Å; H715-T718 CarbonylContact O-C 3.57Å; H715-T718 PolarHBondContact O-N 3.25Å; H715-T718 VanDerWaalsContact O-N 3.08Å; H715-T718 PolarHBondContact O-OG1 3.2Å; F716-T718 VanDerWaalsContact C-N 3.34Å; T718-F720 VanDerWaalsContact C-N 3.28Å; T718-F720 PolarHBondContact O-N 3.44Å; T718-W721 WeakPolarHBondContact O-CB 3.43Å; T718-W721 PolarHBondContact O-N 3.35Å; T718-K722 WeakPolarHBondContact O-CG 3.44Å; T718-K722 PolarHBondContact O-N 3.2Å; T718-K722 WeakPolarHBondContact OG1-CE 3.4Å
719	V	90.9	Very high	88.9	Confident	44 Å²	44	61.4 Å²	61.4	27%	0.267	31%	0.309	S	S	.	.	H	α-helix	trans	-57.9	-39.6	-170.2	72	0	0	0	0	112.4	H715 F716 W721 K722 V723	H715-V719 WeakPolarHBondContact O-CA 3.25Å; H715-V719 WeakPolarHBondContact O-CB 3.31Å; H715-V719 PolarHBondContact O-N 3.2Å; F716-V719 WeakPolarHBondContact O-CG1 3.49Å; V719-W721 PolarHBondContact O-N 2.96Å; V719-K722 PolarHBondContact O-N 3.04Å; V719-V723 HydrophobicContact CG2-CG2 4.22Å; V719-V723 WeakPolarHBondContact O-CB 3.41Å; V719-V723 WeakPolarHBondContact O-CG2 3.22Å; V719-V723 PolarHBondContact O-N 3.33Å
720	F	93.7	Very high	89.3	Confident	115 Å²	115	56.3 Å²	56.3	50%	0.504	27%	0.274	S	S	.	.	H	α-helix	trans	-55.9	-50.6	175.8	169.4	-99.8	0	0	0	111.3	Y69 T718 L724	Y69-F720 HydrophobicContact CE1-CD1 4.27Å; Y69-F720 WeakPolarHBondContact OH-CB 3.23Å; Y69-F720 VanDerWaalsContact OH-CD1 3.26Å; Y69-F720 WeakPolarHBondContact OH-CD1 3.2Å; T718-F720 VanDerWaalsContact C-N 3.28Å; T718-F720 PolarHBondContact O-N 3.44Å; F720-L724 WeakPolarHBondContact O-CB 3.48Å; F720-L724 PolarHBondContact O-N 2.68Å
721	W	93.9	Very high	89.6	Confident	16 Å²	16	49.6 Å²	49.6	6%	0.061	24%	0.241	C	C	.	.	H	α-helix	trans	-66.5	-41.1	177.9	-68.3	120.4	0	0	0	112.1	Y69 L70 I76 T718 V719 V723 L724 F725 L750	Y69-W721 AromaticContact CD1-CZ2 3.89Å; Y69-W721 HydrophobicContact CD1-CZ2 3.89Å; Y69-W721 AromaticContact CD1-NE1 3.61Å; Y69-W721 AromaticContact CE1-CE2 3.63Å; Y69-W721 AromaticContact CE1-CZ2 3.73Å; Y69-W721 HydrophobicContact CE1-CZ2 3.73Å; Y69-W721 AromaticContact CE1-NE1 3.23Å; Y69-W721 AromaticContact CE2-NE1 3.66Å; Y69-W721 AromaticContact CG-NE1 3.99Å; Y69-W721 AromaticContact CZ-CD1 3.8Å; Y69-W721 AromaticContact CZ-NE1 3.26Å; Y69-W721 VanDerWaalsContact CZ-NE1 3.26Å; Y69-W721 PolarHBondContact O-NE1 3.1Å; Y69-W721 VanDerWaalsContact O-NE1 3.16Å; L70-W721 HydrophobicContact CD2-CH2 4.06Å; L70-W721 HydrophobicContact CD2-CZ2 4.09Å; I76-W721 HydrophobicContact CD1-CB 3.54Å; I76-W721 HydrophobicContact CD1-CG 4.26Å; T718-W721 WeakPolarHBondContact O-CB 3.43Å; T718-W721 PolarHBondContact O-N 3.35Å; V719-W721 PolarHBondContact O-N 2.96Å; W721-V723 PolarHBondContact O-N 3.33Å; W721-L724 HydrophobicContact CE3-CD2 3.87Å; W721-L724 HydrophobicContact CZ3-CD2 3.82Å; W721-L724 PolarHBondContact O-N 3.31Å; W721-F725 HydrophobicContact CB-CD2 4.28Å; W721-F725 HydrophobicContact CB-CE2 3.86Å; W721-F725 HydrophobicContact CD2-CE2 4.34Å; W721-F725 HydrophobicContact CD2-CZ 4.23Å; W721-F725 HydrophobicContact CE3-CE1 4.09Å; W721-F725 AromaticContact CE3-CE2 3.86Å; W721-F725 HydrophobicContact CE3-CE2 3.86Å; W721-F725 AromaticContact CE3-CZ 3.36Å; W721-F725 HydrophobicContact CE3-CZ 3.36Å; W721-F725 HydrophobicContact CG-CE2 4.39Å; W721-F725 HydrophobicContact CZ3-CE1 4.45Å; W721-F725 AromaticContact CZ3-CZ 3.92Å; W721-F725 HydrophobicContact CZ3-CZ 3.92Å; W721-F725 WeakPolarHBondContact O-CB 3.11Å; W721-F725 WeakPolarHBondContact O-CD2 3.49Å; W721-F725 VanDerWaalsContact O-CG 3.25Å; W721-F725 WeakPolarHBondContact O-CG 3.43Å; W721-F725 PolarHBondContact O-N 2.81Å; W721-L750 HydrophobicContact CH2-CD2 3.58Å; W721-L750 HydrophobicContact CZ3-CD2 3.6Å
722	K	90.5	Very high	89.7	Confident	13 Å²	13	52.5 Å²	52.5	6%	0.057	26%	0.257	C	S	.	.	H	α-helix	trans	-60.4	-46.2	178.1	-70.4	-173.8	-176.9	-176.7	0	112.2	I76 T340 S342 A689 H715 T718 V719 F725 A726	I76-K722 HydrophobicContact CG2-CG 4.4Å; T340-K722 WeakPolarHBondContact O-CE 3.47Å; T340-K722 PolarHBondContact O-NZ 3.47Å; S342-K722 VanDerWaalsContact OG-CE 3.27Å; S342-K722 WeakPolarHBondContact OG-CE 3.38Å; S342-K722 PolarHBondContact OG-NZ 2.89Å; A689-K722 HydrophobicContact CB-CB 3.89Å; H715-K722 PolarHBondContact ND1-NZ 3.48Å; H715-K722 VanDerWaalsContact ND1-NZ 3.15Å; T718-K722 WeakPolarHBondContact O-CG 3.44Å; T718-K722 PolarHBondContact O-N 3.2Å; T718-K722 WeakPolarHBondContact OG1-CE 3.4Å; V719-K722 PolarHBondContact O-N 3.04Å; K722-F725 PolarHBondContact O-N 2.75Å; K722-A726 WeakPolarHBondContact O-CB 3.48Å; K722-A726 PolarHBondContact O-N 3.38Å
723	V	92.3	Very high	89.8	Confident	50 Å²	50	52.8 Å²	52.8	30%	0.303	26%	0.258	S	S	.	.	H	α-helix	trans	-66.4	-40.9	178	173.9	0	0	0	0	110.5	F686 A689 I690 V719 W721 F725 A726 F727	F686-V723 HydrophobicContact CE1-CG1 4.46Å; A689-V723 HydrophobicContact CB-CG2 4.32Å; I690-V723 HydrophobicContact CG1-CG2 4.47Å; V719-V723 HydrophobicContact CG2-CG2 4.22Å; V719-V723 WeakPolarHBondContact O-CB 3.41Å; V719-V723 WeakPolarHBondContact O-CG2 3.22Å; V719-V723 PolarHBondContact O-N 3.33Å; W721-V723 PolarHBondContact O-N 3.33Å; V723-F725 PolarHBondContact O-N 3.41Å; V723-A726 WeakPolarHBondContact O-CB 3.38Å; V723-A726 PolarHBondContact O-N 2.89Å; V723-F727 WeakPolarHBondContact O-CD2 2.83Å
724	L	93.8	Very high	89.7	Confident	80 Å²	80	51.1 Å²	51.1	42%	0.419	26%	0.257	S	S	.	.	H	α-helix	trans	-61.3	-42.8	176.3	-175.2	66.7	0	0	0	112	F720 W721 F727	F720-L724 WeakPolarHBondContact O-CB 3.48Å; F720-L724 PolarHBondContact O-N 2.68Å; W721-L724 HydrophobicContact CE3-CD2 3.87Å; W721-L724 HydrophobicContact CZ3-CD2 3.82Å; W721-L724 PolarHBondContact O-N 3.31Å; L724-F727 WeakPolarHBondContact O-CD2 3.25Å
725	F	93.7	Very high	89.8	Confident	5 Å²	5	49.4 Å²	49.4	2%	0.022	26%	0.255	C	S	.	.	H	α-helix	trans	-84.3	-7.8	-179.2	-54.7	-35.6	0	0	0	113.9	G73 I76 I77 W721 K722 V723 F727 V728 V746 L750	G73-F725 VanDerWaalsContact O-CE2 3.22Å; G73-F725 WeakPolarHBondContact O-CE2 3.41Å; I76-F725 HydrophobicContact CB-CD2 4.03Å; I76-F725 HydrophobicContact CB-CE2 4.09Å; I76-F725 HydrophobicContact CG2-CD2 3.72Å; I76-F725 HydrophobicContact CG2-CE2 4.28Å; I77-F725 HydrophobicContact CB-CD1 4.39Å; I77-F725 HydrophobicContact CB-CD2 3.95Å; I77-F725 HydrophobicContact CB-CE1 4.28Å; I77-F725 HydrophobicContact CB-CE2 3.82Å; I77-F725 HydrophobicContact CB-CG 4.24Å; I77-F725 HydrophobicContact CB-CZ 4Å; I77-F725 HydrophobicContact CD1-CB 4.18Å; I77-F725 HydrophobicContact CD1-CD1 3.95Å; I77-F725 HydrophobicContact CD1-CD2 4.45Å; I77-F725 HydrophobicContact CD1-CE1 4.49Å; I77-F725 HydrophobicContact CD1-CG 3.94Å; I77-F725 HydrophobicContact CG2-CE2 4.42Å; I77-F725 HydrophobicContact CG2-CZ 4.39Å; W721-F725 HydrophobicContact CB-CD2 4.28Å; W721-F725 HydrophobicContact CB-CE2 3.86Å; W721-F725 HydrophobicContact CD2-CE2 4.34Å; W721-F725 HydrophobicContact CD2-CZ 4.23Å; W721-F725 HydrophobicContact CE3-CE1 4.09Å; W721-F725 AromaticContact CE3-CE2 3.86Å; W721-F725 HydrophobicContact CE3-CE2 3.86Å; W721-F725 AromaticContact CE3-CZ 3.36Å; W721-F725 HydrophobicContact CE3-CZ 3.36Å; W721-F725 HydrophobicContact CG-CE2 4.39Å; W721-F725 HydrophobicContact CZ3-CE1 4.45Å; W721-F725 AromaticContact CZ3-CZ 3.92Å; W721-F725 HydrophobicContact CZ3-CZ 3.92Å; W721-F725 WeakPolarHBondContact O-CB 3.11Å; W721-F725 WeakPolarHBondContact O-CD2 3.49Å; W721-F725 VanDerWaalsContact O-CG 3.25Å; W721-F725 WeakPolarHBondContact O-CG 3.43Å; W721-F725 PolarHBondContact O-N 2.81Å; K722-F725 PolarHBondContact O-N 2.75Å; V723-F725 PolarHBondContact O-N 3.41Å; F725-F727 PolarHBondContact O-N 3.25Å; F725-V728 HydrophobicContact CB-CG2 4.43Å; F725-V728 VanDerWaalsContact O-CB 3.28Å; F725-V728 WeakPolarHBondContact O-CB 2.87Å; F725-V728 VanDerWaalsContact O-CG2 3.29Å; F725-V728 WeakPolarHBondContact O-CG2 3.47Å; F725-V728 PolarHBondContact O-N 3.23Å; F725-V728 VanDerWaalsContact O-N 3.13Å; F725-V746 HydrophobicContact CD1-CG1 3.99Å; F725-V746 HydrophobicContact CE1-CG1 3.55Å; F725-V746 HydrophobicContact CZ-CG1 4.44Å; F725-L750 HydrophobicContact CE1-CD1 4.03Å; F725-L750 HydrophobicContact CZ-CD1 3.61Å
726	A	90.2	Very high	89.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-12.5	168.4	0	0	0	0	0	113	Q685 F686 A689 K722 V723 V728	Q685-A726 HydrophobicContact CB-CB 4.23Å; Q685-A726 PolarHBondContact OE1-O 3.25Å; F686-A726 HydrophobicContact CD1-CB 3.93Å; F686-A726 HydrophobicContact CD2-CB 4.4Å; F686-A726 HydrophobicContact CE1-CB 3.92Å; F686-A726 HydrophobicContact CE2-CB 4.38Å; F686-A726 HydrophobicContact CG-CB 4.17Å; F686-A726 HydrophobicContact CZ-CB 4.14Å; A689-A726 HydrophobicContact CB-CB 4.13Å; K722-A726 WeakPolarHBondContact O-CB 3.48Å; K722-A726 PolarHBondContact O-N 3.38Å; V723-A726 WeakPolarHBondContact O-CB 3.38Å; V723-A726 PolarHBondContact O-N 2.89Å; A726-V728 VanDerWaalsContact C-N 3.29Å
727	F	92.5	Very high	89.9	Confident	129 Å²	129	46.3 Å²	46.3	57%	0.566	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-11.6	170.4	-71	-85	0	0	0	113.4	F686 V723 L724 F725	F686-F727 HydrophobicContact CE1-CD2 4.45Å; F686-F727 HydrophobicContact CE1-CE2 4.01Å; F686-F727 HydrophobicContact CE1-CZ 4.1Å; F686-F727 HydrophobicContact CZ-CD1 4.02Å; F686-F727 HydrophobicContact CZ-CD2 4.08Å; F686-F727 AromaticContact CZ-CE1 3.81Å; F686-F727 HydrophobicContact CZ-CE1 3.81Å; F686-F727 AromaticContact CZ-CE2 3.88Å; F686-F727 HydrophobicContact CZ-CE2 3.88Å; F686-F727 HydrophobicContact CZ-CG 4.16Å; F686-F727 AromaticContact CZ-CZ 3.74Å; F686-F727 HydrophobicContact CZ-CZ 3.74Å; V723-F727 WeakPolarHBondContact O-CD2 2.83Å; L724-F727 WeakPolarHBondContact O-CD2 3.25Å; F725-F727 PolarHBondContact O-N 3.25Å
728	V	93.3	Very high	90.2	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.03	24%	0.244	C	C	.	.	S	Bend	trans	-66	134.6	175.9	177.2	0	0	0	0	108.8	I77 Q685 F725 A726 V742	I77-V728 HydrophobicContact CD1-CG2 3.9Å; Q685-V728 PolarHBondContact NE2-O 3.3Å; Q685-V728 PolarHBondContact OE1-O 3.43Å; F725-V728 HydrophobicContact CB-CG2 4.43Å; F725-V728 VanDerWaalsContact O-CB 3.28Å; F725-V728 WeakPolarHBondContact O-CB 2.87Å; F725-V728 VanDerWaalsContact O-CG2 3.29Å; F725-V728 WeakPolarHBondContact O-CG2 3.47Å; F725-V728 PolarHBondContact O-N 3.23Å; F725-V728 VanDerWaalsContact O-N 3.13Å; A726-V728 VanDerWaalsContact C-N 3.29Å; V728-V742 HydrophobicContact CG1-CB 4.48Å; V728-V742 HydrophobicContact CG1-CG1 4.27Å; V728-V742 HydrophobicContact CG2-CG1 4.31Å
729	P	93.2	Very high	90.3	Very high	27 Å²	27	48.5 Å²	48.5	18%	0.175	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-50.3	144.4	179.7	-28.7	35	0	0	0	113.3	F738 C739 V742	P729-F738 HydrophobicContact CB-CB 4.33Å; P729-C739 WeakPolarHBondContact O-CB 3.42Å; P729-C739 PolarHBondContact O-SG 3.48Å; P729-C739 VanDerWaalsContact O-SG 3.37Å; P729-V742 HydrophobicContact CG-CG2 4.01Å
730	P	90.4	Very high	90.4	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-62.8	152.2	174.6	-14.5	31	0	0	0	110.9	T679 W682 Q685 D732 Y733	T679-P730 WeakPolarHBondContact O-CB 3.42Å; W682-P730 VanDerWaalsContact CD1-CD 3.5Å; W682-P730 HydrophobicContact CG-CG 4.34Å; Q685-P730 VanDerWaalsContact NE2-CA 3.34Å; P730-D732 PolarHBondContact O-N 3.31Å; P730-Y733 HydrophobicContact CB-CD2 3.95Å; P730-Y733 HydrophobicContact CB-CE2 4.22Å; P730-Y733 HydrophobicContact CG-CD2 3.91Å; P730-Y733 HydrophobicContact CG-CE2 3.82Å; P730-Y733 PolarHBondContact O-N 3.24Å
731	T	86.7	Confident	90.4	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-24.1	-176.9	49.7	0	0	0	0	112.9	A83 A84 G678 T679 Y733 G736	A83-T731 HydrophobicContact CB-CG2 3.98Å; A84-T731 HydrophobicContact CB-CG2 4.49Å; G678-T731 WeakPolarHBondContact CA-OG1 3.44Å; T679-T731 PolarHBondContact N-OG1 2.89Å; T679-T731 PolarHBondContact O-N 3.11Å; T679-T731 PolarHBondContact O-OG1 3.18Å; T731-Y733 PolarHBondContact O-N 3.22Å; T731-G736 WeakPolarHBondContact O-CA 3.44Å; T731-G736 PolarHBondContact O-N 3.19Å
732	D	82.9	Confident	90.5	Very high	84 Å²	84	47.1 Å²	47.1	45%	0.449	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-20.9	-178.9	-66.8	10.1	0	0	0	112	S680 P730 G734	S680-D732 WeakPolarHBondContact CA-OD2 3.27Å; S680-D732 WeakPolarHBondContact CB-OD2 3.38Å; P730-D732 PolarHBondContact O-N 3.31Å; D732-G734 PolarHBondContact O-N 3.3Å
733	Y	84.7	Confident	90.7	Very high	133 Å²	133	46.5 Å²	46.5	52%	0.522	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-73.1	120	-179.9	-76.8	-124.3	0	0	0	109.8	P730 T731 G735 G736	P730-Y733 HydrophobicContact CB-CD2 3.95Å; P730-Y733 HydrophobicContact CB-CE2 4.22Å; P730-Y733 HydrophobicContact CG-CD2 3.91Å; P730-Y733 HydrophobicContact CG-CE2 3.82Å; P730-Y733 PolarHBondContact O-N 3.24Å; T731-Y733 PolarHBondContact O-N 3.22Å; Y733-G735 PolarHBondContact O-N 3.48Å; Y733-G736 PolarHBondContact O-N 3.31Å
734	G	85.1	Confident	90.8	Very high	46 Å²	46	46.4 Å²	46.4	47%	0.474	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	62.1	27.2	178.5	0	0	0	0	0	113.8	D732 G736 W737	D732-G734 PolarHBondContact O-N 3.3Å; G734-G736 VanDerWaalsContact C-N 3.28Å; G734-G736 PolarHBondContact O-N 3.4Å; G734-W737 PolarHBondContact O-N 3.32Å
735	G	84.5	Confident	90.8	Very high	26 Å²	26	48.1 Å²	48.1	27%	0.268	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	61.9	32.7	-179.4	0	0	0	0	0	113.8	I88 Q91 Y733	I88-G735 WeakPolarHBondContact CG1-O 3.08Å; Q91-G735 PolarHBondContact NE2-O 3.32Å; Y733-G735 PolarHBondContact O-N 3.48Å
736	G	86.4	Confident	90.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	96.8	-18.2	177.6	0	0	0	0	0	115.1	T731 Y733 G734 F738 C739 F740	T731-G736 WeakPolarHBondContact O-CA 3.44Å; T731-G736 PolarHBondContact O-N 3.19Å; Y733-G736 PolarHBondContact O-N 3.31Å; G734-G736 VanDerWaalsContact C-N 3.28Å; G734-G736 PolarHBondContact O-N 3.4Å; G736-F738 PolarHBondContact O-N 3.32Å; G736-C739 PolarHBondContact O-N 3.41Å; G736-F740 WeakPolarHBondContact O-CB 3.28Å; G736-F740 PolarHBondContact O-N 3.31Å
737	W	91.7	Very high	91.1	Very high	115 Å²	115	49.8 Å²	49.8	44%	0.436	26%	0.26	S	S	.	.	H	α-helix	trans	-66.4	-35.1	-172.5	-76.3	104.2	0	0	0	114.9	I88 G734 F740 T741	I88-W737 HydrophobicContact CD1-CD2 3.9Å; I88-W737 HydrophobicContact CD1-CE3 4.07Å; I88-W737 HydrophobicContact CD1-CG 4.25Å; I88-W737 HydrophobicContact CD1-CZ3 4.46Å; I88-W737 HydrophobicContact CG1-CD2 4.32Å; I88-W737 HydrophobicContact CG1-CG 4.39Å; I88-W737 HydrophobicContact CG2-CH2 4.38Å; I88-W737 HydrophobicContact CG2-CZ2 3.71Å; G734-W737 PolarHBondContact O-N 3.32Å; W737-F740 HydrophobicContact CE3-CD1 4.05Å; W737-F740 HydrophobicContact CZ3-CD1 4.11Å; W737-F740 HydrophobicContact CZ3-CE1 4.13Å; W737-T741 PolarHBondContact O-N 2.83Å; W737-T741 PolarHBondContact O-OG1 3.08Å
738	F	93.7	Very high	91.2	Very high	128 Å²	128	44.1 Å²	44.1	56%	0.561	24%	0.238	S	C	*	.	H	α-helix	trans	-67	-45.6	176.1	-70.1	-60.4	0	0	0	111.3	P729 G736 T741 V742	P729-F738 HydrophobicContact CB-CB 4.33Å; G736-F738 PolarHBondContact O-N 3.32Å; F738-T741 PolarHBondContact O-N 2.74Å; F738-V742 WeakPolarHBondContact O-CG2 3.46Å; F738-V742 PolarHBondContact O-N 2.9Å; F738-V742 VanDerWaalsContact O-N 3.09Å
739	C	92.6	Very high	91.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.6	-46.3	174.9	-176.7	0	0	0	0	111	A84 P729 G736 T741 V742 C743	A84-C739 HydrophobicContact CB-CB 3.92Å; P729-C739 WeakPolarHBondContact O-CB 3.42Å; P729-C739 PolarHBondContact O-SG 3.48Å; P729-C739 VanDerWaalsContact O-SG 3.37Å; G736-C739 PolarHBondContact O-N 3.41Å; C739-T741 PolarHBondContact O-N 2.99Å; C739-V742 PolarHBondContact O-N 3.36Å; C739-C743 VanDerWaalsContact O-CB 3.28Å; C739-C743 WeakPolarHBondContact O-CB 3.25Å; C739-C743 PolarHBondContact O-N 2.86Å; C739-C743 PolarHBondContact O-SG 3.16Å
740	F	92.9	Very high	91.3	Very high	21 Å²	21	47.5 Å²	47.5	9%	0.092	26%	0.257	C	S	.	.	H	α-helix	trans	-54.3	-48.7	176.7	177	-91.5	0	0	0	112.3	F81 A84 I85 I88 L121 L124 G736 W737 C743 I744	F81-F740 HydrophobicContact CD2-CD2 4.06Å; F81-F740 HydrophobicContact CD2-CE2 4.46Å; F81-F740 AromaticContact CE2-CD2 3.31Å; F81-F740 HydrophobicContact CE2-CD2 3.31Å; F81-F740 AromaticContact CE2-CE2 3.36Å; F81-F740 HydrophobicContact CE2-CE2 3.36Å; F81-F740 HydrophobicContact CE2-CG 4.02Å; F81-F740 HydrophobicContact CE2-CZ 4.13Å; F81-F740 HydrophobicContact CZ-CD2 4.07Å; F81-F740 AromaticContact CZ-CE2 3.63Å; F81-F740 HydrophobicContact CZ-CE2 3.63Å; F81-F740 HydrophobicContact CZ-CZ 4.26Å; A84-F740 HydrophobicContact CB-CB 4.09Å; I85-F740 HydrophobicContact CD1-CE2 4.32Å; I85-F740 HydrophobicContact CG1-CD2 3.81Å; I85-F740 HydrophobicContact CG1-CE2 3.86Å; I88-F740 HydrophobicContact CD1-CB 3.77Å; I88-F740 HydrophobicContact CD1-CD2 4.04Å; I88-F740 HydrophobicContact CD1-CG 3.98Å; L121-F740 HydrophobicContact CD2-CE2 4.23Å; L121-F740 HydrophobicContact CD2-CZ 4.21Å; L124-F740 HydrophobicContact CD2-CE2 4.43Å; L124-F740 HydrophobicContact CD2-CZ 4.38Å; G736-F740 WeakPolarHBondContact O-CB 3.28Å; G736-F740 PolarHBondContact O-N 3.31Å; W737-F740 HydrophobicContact CE3-CD1 4.05Å; W737-F740 HydrophobicContact CZ3-CD1 4.11Å; W737-F740 HydrophobicContact CZ3-CE1 4.13Å; F740-C743 PolarHBondContact O-N 3.44Å; F740-I744 HydrophobicContact CD1-CD1 3.92Å; F740-I744 HydrophobicContact CE1-CD1 3.32Å; F740-I744 HydrophobicContact CE2-CD1 4.15Å; F740-I744 HydrophobicContact CZ-CD1 3.46Å; F740-I744 VanDerWaalsContact CZ-CD1 3.46Å; F740-I744 WeakPolarHBondContact O-CG1 3.45Å; F740-I744 PolarHBondContact O-N 2.83Å; F740-I744 VanDerWaalsContact O-N 3.07Å
741	T	94.2	Very high	91.4	Very high	74 Å²	74	47.5 Å²	47.5	45%	0.454	26%	0.257	S	S	.	.	H	α-helix	trans	-66	-46.8	-177.7	-54.5	0	0	0	0	111.8	W737 F738 C739 C743 I744 L745	W737-T741 PolarHBondContact O-N 2.83Å; W737-T741 PolarHBondContact O-OG1 3.08Å; F738-T741 PolarHBondContact O-N 2.74Å; C739-T741 PolarHBondContact O-N 2.99Å; T741-C743 VanDerWaalsContact C-N 3.34Å; T741-C743 PolarHBondContact O-N 3.36Å; T741-I744 PolarHBondContact O-N 3.17Å; T741-L745 PolarHBondContact O-N 3.38Å
742	V	95.3	Very high	91.7	Very high	51 Å²	51	47.8 Å²	47.8	31%	0.309	26%	0.259	S	S	.	.	H	α-helix	trans	-65.2	-39.7	178.4	175.3	0	0	0	0	110.9	V728 P729 F738 C739 I744 L745 V746	V728-V742 HydrophobicContact CG1-CB 4.48Å; V728-V742 HydrophobicContact CG1-CG1 4.27Å; V728-V742 HydrophobicContact CG2-CG1 4.31Å; P729-V742 HydrophobicContact CG-CG2 4.01Å; F738-V742 WeakPolarHBondContact O-CG2 3.46Å; F738-V742 PolarHBondContact O-N 2.9Å; F738-V742 VanDerWaalsContact O-N 3.09Å; C739-V742 PolarHBondContact O-N 3.36Å; V742-I744 PolarHBondContact O-N 2.87Å; V742-L745 PolarHBondContact O-N 3.33Å; V742-V746 HydrophobicContact CG1-CG2 4.33Å; V742-V746 WeakPolarHBondContact O-CG2 3.4Å; V742-V746 PolarHBondContact O-N 3.35Å
743	C	94.8	Very high	92.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.1	-45.5	175.6	-74.4	0	0	0	0	112.2	F81 C739 F740 T741 L745 V746 I747	F81-C743 HydrophobicContact CB-CB 3.89Å; F81-C743 HydrophobicContact CD2-CB 3.56Å; F81-C743 HydrophobicContact CE2-CB 4.45Å; F81-C743 HydrophobicContact CG-CB 4.07Å; C739-C743 VanDerWaalsContact O-CB 3.28Å; C739-C743 WeakPolarHBondContact O-CB 3.25Å; C739-C743 PolarHBondContact O-N 2.86Å; C739-C743 PolarHBondContact O-SG 3.16Å; F740-C743 PolarHBondContact O-N 3.44Å; T741-C743 VanDerWaalsContact C-N 3.34Å; T741-C743 PolarHBondContact O-N 3.36Å; C743-L745 VanDerWaalsContact C-N 3.31Å; C743-L745 PolarHBondContact O-N 2.89Å; C743-V746 PolarHBondContact O-N 3.18Å; C743-I747 WeakPolarHBondContact O-CB 3.47Å; C743-I747 VanDerWaalsContact O-CG1 3.22Å; C743-I747 WeakPolarHBondContact O-CG1 3.32Å; C743-I747 PolarHBondContact O-N 3.12Å
744	I	93.7	Very high	92.7	Very high	48 Å²	48	38.9 Å²	38.9	25%	0.246	22%	0.222	C	C	.	.	H	α-helix	trans	-59.7	-42.6	177.8	-72.8	176.4	0	0	0	111.2	F81 L132 F740 T741 V742 G748	F81-I744 HydrophobicContact CD2-CG1 4.4Å; F81-I744 HydrophobicContact CE2-CD1 3.93Å; F81-I744 HydrophobicContact CE2-CG1 3.48Å; F81-I744 VanDerWaalsContact CE2-CG1 3.48Å; F81-I744 HydrophobicContact CZ-CD1 3.98Å; F81-I744 HydrophobicContact CZ-CG1 3.65Å; L132-I744 HydrophobicContact CD1-CG2 4.4Å; L132-I744 HydrophobicContact CD2-CG2 4.29Å; F740-I744 HydrophobicContact CD1-CD1 3.92Å; F740-I744 HydrophobicContact CE1-CD1 3.32Å; F740-I744 HydrophobicContact CE2-CD1 4.15Å; F740-I744 HydrophobicContact CZ-CD1 3.46Å; F740-I744 VanDerWaalsContact CZ-CD1 3.46Å; F740-I744 WeakPolarHBondContact O-CG1 3.45Å; F740-I744 PolarHBondContact O-N 2.83Å; F740-I744 VanDerWaalsContact O-N 3.07Å; T741-I744 PolarHBondContact O-N 3.17Å; V742-I744 PolarHBondContact O-N 2.87Å; I744-G748 PolarHBondContact O-N 3.22Å
745	L	94.7	Very high	93	Very high	116 Å²	116	37 Å²	37	61%	0.607	20%	0.202	S	C	*	.	H	α-helix	trans	-63.4	-45.4	177.7	-66.6	175.6	0	0	0	111.7	T741 V742 C743 G748 V749	T741-L745 PolarHBondContact O-N 3.38Å; V742-L745 PolarHBondContact O-N 3.33Å; C743-L745 VanDerWaalsContact C-N 3.31Å; C743-L745 PolarHBondContact O-N 2.89Å; L745-G748 PolarHBondContact O-N 3.31Å; L745-V749 WeakPolarHBondContact O-CG2 3.3Å; L745-V749 PolarHBondContact O-N 3.41Å
746	V	95.5	Very high	93.4	Very high	40 Å²	40	36.2 Å²	36.2	24%	0.242	19%	0.192	C	C	.	.	H	α-helix	trans	-65.2	-44.2	178.7	174.3	0	0	0	0	111.4	I77 F725 V742 C743 G748 V749 L750	I77-V746 HydrophobicContact CD1-CB 4.42Å; I77-V746 HydrophobicContact CD1-CG1 4.13Å; I77-V746 HydrophobicContact CG1-CB 4.29Å; I77-V746 HydrophobicContact CG1-CG1 3.93Å; F725-V746 HydrophobicContact CD1-CG1 3.99Å; F725-V746 HydrophobicContact CE1-CG1 3.55Å; F725-V746 HydrophobicContact CZ-CG1 4.44Å; V742-V746 HydrophobicContact CG1-CG2 4.33Å; V742-V746 WeakPolarHBondContact O-CG2 3.4Å; V742-V746 PolarHBondContact O-N 3.35Å; C743-V746 PolarHBondContact O-N 3.18Å; V746-G748 VanDerWaalsContact C-N 3.29Å; V746-G748 PolarHBondContact O-N 2.83Å; V746-V749 PolarHBondContact O-N 3.37Å; V746-L750 HydrophobicContact CG1-CD1 3.96Å; V746-L750 WeakPolarHBondContact O-CG 3.35Å; V746-L750 PolarHBondContact O-N 3.45Å
747	I	94.4	Very high	93.7	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-60.6	-42.1	174.1	-66.2	166.1	0	0	0	109.8	I77 F81 P129 L132 C743 V749 L750 T751	I77-I747 HydrophobicContact CB-CG1 4.41Å; I77-I747 HydrophobicContact CG1-CD1 4.48Å; I77-I747 HydrophobicContact CG1-CG1 3.93Å; I77-I747 HydrophobicContact CG2-CD1 4.42Å; I77-I747 HydrophobicContact CG2-CG1 3.6Å; F81-I747 HydrophobicContact CB-CD1 3.97Å; F81-I747 HydrophobicContact CD1-CD1 3.8Å; F81-I747 HydrophobicContact CE1-CD1 4.42Å; F81-I747 HydrophobicContact CG-CD1 3.88Å; P129-I747 HydrophobicContact CG-CG2 4.28Å; L132-I747 HydrophobicContact CD1-CB 3.97Å; L132-I747 HydrophobicContact CD1-CG2 3.56Å; C743-I747 WeakPolarHBondContact O-CB 3.47Å; C743-I747 VanDerWaalsContact O-CG1 3.22Å; C743-I747 WeakPolarHBondContact O-CG1 3.32Å; C743-I747 PolarHBondContact O-N 3.12Å; I747-V749 PolarHBondContact O-N 2.92Å; I747-L750 PolarHBondContact O-N 3.22Å; I747-T751 HydrophobicContact CG2-CG2 3.84Å; I747-T751 VanDerWaalsContact O-CB 3.29Å; I747-T751 WeakPolarHBondContact O-CB 3.29Å; I747-T751 WeakPolarHBondContact O-CG2 3.5Å; I747-T751 PolarHBondContact O-N 3.01Å; I747-T751 PolarHBondContact O-OG1 3.38Å
748	G	93.9	Very high	93.8	Very high	10 Å²	10	31.2 Å²	31.2	10%	0.103	17%	0.174	C	C	.	.	H	α-helix	trans	-57.7	-47.5	176	0	0	0	0	0	112.4	I136 I744 L745 V746 T751 A752	I136-G748 WeakPolarHBondContact CD1-O 3.43Å; I744-G748 PolarHBondContact O-N 3.22Å; L745-G748 PolarHBondContact O-N 3.31Å; V746-G748 VanDerWaalsContact C-N 3.29Å; V746-G748 PolarHBondContact O-N 2.83Å; G748-T751 WeakPolarHBondContact CA-OG1 3.33Å; G748-T751 PolarHBondContact O-N 2.93Å; G748-T751 PolarHBondContact O-OG1 3.48Å; G748-A752 WeakPolarHBondContact O-CB 3.42Å; G748-A752 PolarHBondContact O-N 2.94Å
749	V	94.5	Very high	93.6	Very high	88 Å²	88	25.8 Å²	25.8	53%	0.533	15%	0.152	S	C	.	.	H	α-helix	trans	-63.7	-45.1	176.7	174	0	0	0	0	111.5	L745 V746 I747 A752 V753	L745-V749 WeakPolarHBondContact O-CG2 3.3Å; L745-V749 PolarHBondContact O-N 3.41Å; V746-V749 PolarHBondContact O-N 3.37Å; I747-V749 PolarHBondContact O-N 2.92Å; V749-A752 PolarHBondContact O-N 3.3Å; V749-V753 WeakPolarHBondContact O-CG2 3.42Å; V749-V753 PolarHBondContact O-N 2.82Å; V749-V753 VanDerWaalsContact O-N 3.15Å
750	L	94.7	Very high	93.4	Very high	14 Å²	14	25.9 Å²	25.9	7%	0.073	15%	0.153	C	C	.	.	H	α-helix	trans	-65.4	-40.2	179.4	-72.5	167.9	0	0	0	112.6	L70 V74 I77 W721 F725 V746 I747 V753 I754	L70-L750 HydrophobicContact CD2-CD2 4.35Å; V74-L750 HydrophobicContact CG2-CB 3.91Å; V74-L750 HydrophobicContact CG2-CD1 4.41Å; I77-L750 HydrophobicContact CG2-CD1 3.92Å; W721-L750 HydrophobicContact CH2-CD2 3.58Å; W721-L750 HydrophobicContact CZ3-CD2 3.6Å; F725-L750 HydrophobicContact CE1-CD1 4.03Å; F725-L750 HydrophobicContact CZ-CD1 3.61Å; V746-L750 HydrophobicContact CG1-CD1 3.96Å; V746-L750 WeakPolarHBondContact O-CG 3.35Å; V746-L750 PolarHBondContact O-N 3.45Å; I747-L750 PolarHBondContact O-N 3.22Å; L750-V753 PolarHBondContact O-N 2.68Å; L750-I754 WeakPolarHBondContact O-CB 3.42Å; L750-I754 VanDerWaalsContact O-CG1 3.29Å; L750-I754 WeakPolarHBondContact O-CG1 3.39Å; L750-I754 PolarHBondContact O-N 3.2Å
751	T	92.9	Very high	93.4	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.012	15%	0.149	C	C	.	.	H	α-helix	trans	-69.5	-36.1	179.4	51.4	0	0	0	0	111.9	P129 I747 G748 I754 G755	P129-T751 HydrophobicContact CB-CG2 3.79Å; I747-T751 HydrophobicContact CG2-CG2 3.84Å; I747-T751 VanDerWaalsContact O-CB 3.29Å; I747-T751 WeakPolarHBondContact O-CB 3.29Å; I747-T751 WeakPolarHBondContact O-CG2 3.5Å; I747-T751 PolarHBondContact O-N 3.01Å; I747-T751 PolarHBondContact O-OG1 3.38Å; G748-T751 WeakPolarHBondContact CA-OG1 3.33Å; G748-T751 PolarHBondContact O-N 2.93Å; G748-T751 PolarHBondContact O-OG1 3.48Å; T751-I754 PolarHBondContact O-N 2.66Å; T751-G755 PolarHBondContact O-N 2.72Å
752	A	92.9	Very high	93.1	Very high	7 Å²	7	21.6 Å²	21.6	6%	0.058	13%	0.127	C	C	.	.	H	α-helix	trans	-58.5	-48.4	169.8	0	0	0	0	0	111.5	I41 I136 G748 V749 I754 G755 D756	I41-A752 HydrophobicContact CD1-CB 3.49Å; I41-A752 VanDerWaalsContact CD1-CB 3.49Å; I41-A752 HydrophobicContact CG1-CB 4.34Å; I136-A752 HydrophobicContact CD1-CB 4.29Å; I136-A752 HydrophobicContact CG2-CB 3.91Å; G748-A752 WeakPolarHBondContact O-CB 3.42Å; G748-A752 PolarHBondContact O-N 2.94Å; V749-A752 PolarHBondContact O-N 3.3Å; A752-I754 VanDerWaalsContact C-N 3.34Å; A752-I754 PolarHBondContact O-N 2.69Å; A752-G755 PolarHBondContact O-N 3.23Å; A752-D756 PolarHBondContact O-N 3.28Å; A752-D756 VanDerWaalsContact O-N 3.09Å
753	V	94.6	Very high	92.6	Very high	28 Å²	28	20.5 Å²	20.5	17%	0.17	12%	0.122	C	C	.	.	H	α-helix	trans	-63.1	-40.3	176.8	175.3	0	0	0	0	111.6	I41 V42 L70 V749 L750 G755 D756 V757	I41-V753 HydrophobicContact CB-CG2 4.43Å; I41-V753 HydrophobicContact CD1-CG2 4.11Å; I41-V753 HydrophobicContact CG2-CG2 4.13Å; V42-V753 HydrophobicContact CG2-CG1 3.96Å; V42-V753 HydrophobicContact CG2-CG2 4.4Å; L70-V753 HydrophobicContact CD1-CG1 3.78Å; L70-V753 HydrophobicContact CD2-CG1 4.02Å; V749-V753 WeakPolarHBondContact O-CG2 3.42Å; V749-V753 PolarHBondContact O-N 2.82Å; V749-V753 VanDerWaalsContact O-N 3.15Å; L750-V753 PolarHBondContact O-N 2.68Å; V753-G755 VanDerWaalsContact C-N 3.32Å; V753-G755 PolarHBondContact O-N 3.48Å; V753-D756 PolarHBondContact O-N 3.31Å; V753-V757 HydrophobicContact CG1-CG2 4.24Å; V753-V757 WeakPolarHBondContact O-CB 3.34Å; V753-V757 VanDerWaalsContact O-CG2 3.27Å; V753-V757 WeakPolarHBondContact O-CG2 3.45Å; V753-V757 PolarHBondContact O-N 2.74Å
754	I	94.2	Very high	92.2	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-60.1	-43.6	174.1	-76.4	166.7	0	0	0	110.8	L67 L70 F71 V74 L750 T751 A752 D756 V757 A758 V777	L67-I754 HydrophobicContact CD1-CG2 3.96Å; L70-I754 HydrophobicContact CB-CD1 4.06Å; L70-I754 HydrophobicContact CB-CG1 3.6Å; L70-I754 HydrophobicContact CD1-CG1 4.1Å; L70-I754 HydrophobicContact CG-CG1 4.38Å; F71-I754 HydrophobicContact CD1-CD1 3.97Å; F71-I754 HydrophobicContact CE1-CD1 4.15Å; F71-I754 HydrophobicContact CE1-CG1 4.5Å; F71-I754 HydrophobicContact CE1-CG2 3.71Å; F71-I754 HydrophobicContact CZ-CG2 4.29Å; V74-I754 HydrophobicContact CB-CD1 4.37Å; V74-I754 HydrophobicContact CG2-CD1 3.34Å; L750-I754 WeakPolarHBondContact O-CB 3.42Å; L750-I754 VanDerWaalsContact O-CG1 3.29Å; L750-I754 WeakPolarHBondContact O-CG1 3.39Å; L750-I754 PolarHBondContact O-N 3.2Å; T751-I754 PolarHBondContact O-N 2.66Å; A752-I754 VanDerWaalsContact C-N 3.34Å; A752-I754 PolarHBondContact O-N 2.69Å; I754-D756 PolarHBondContact O-N 3.03Å; I754-V757 PolarHBondContact O-N 2.97Å; I754-A758 WeakPolarHBondContact O-CB 3.4Å; I754-A758 PolarHBondContact O-N 3.45Å; I754-V777 HydrophobicContact CG2-CG1 4.2Å
755	G	91.6	Very high	91.8	Very high	6 Å²	6	22.9 Å²	22.9	6%	0.062	14%	0.136	C	C	.	.	H	α-helix	trans	-58.7	-47.9	178.2	0	0	0	0	0	112.2	T751 A752 V753 A758 S759	T751-G755 PolarHBondContact O-N 2.72Å; A752-G755 PolarHBondContact O-N 3.23Å; V753-G755 VanDerWaalsContact C-N 3.32Å; V753-G755 PolarHBondContact O-N 3.48Å; G755-A758 PolarHBondContact O-N 3.31Å; G755-S759 PolarHBondContact O-N 3.47Å
756	D	92.3	Very high	91.2	Very high	10 Å²	10	19 Å²	19	5%	0.053	12%	0.124	C	C	.	.	H	α-helix	trans	-64.4	-45.8	178.9	-65.9	-17.7	0	0	0	112.7	G39 I40 I41 V42 A752 V753 I754 A758 S759 S760	G39-D756 WeakPolarHBondContact CA-OD1 3.46Å; I40-D756 PolarHBondContact N-OD1 3.34Å; I40-D756 PolarHBondContact N-OD2 3.13Å; I40-D756 VanDerWaalsContact N-OD2 3.12Å; I41-D756 WeakPolarHBondContact CA-OD2 3.42Å; I41-D756 PolarHBondContact N-OD2 3.04Å; V42-D756 HydrophobicContact CB-CB 4.07Å; V42-D756 PolarHBondContact N-OD2 2.58Å; A752-D756 PolarHBondContact O-N 3.28Å; A752-D756 VanDerWaalsContact O-N 3.09Å; V753-D756 PolarHBondContact O-N 3.31Å; I754-D756 PolarHBondContact O-N 3.03Å; D756-A758 VanDerWaalsContact C-N 3.33Å; D756-S759 PolarHBondContact O-N 3.26Å; D756-S760 WeakPolarHBondContact O-CB 3.46Å; D756-S760 PolarHBondContact O-N 3.38Å; D756-S760 PolarHBondContact O-OG 3.23Å
757	V	93.2	Very high	90.9	Very high	9 Å²	9	17.9 Å²	17.9	6%	0.055	12%	0.117	C	C	.	.	H	α-helix	trans	-66.3	-38.4	178.8	170.2	0	0	0	0	110.6	Y63 A66 L67 L70 V753 I754 S760 F761	Y63-V757 HydrophobicContact CD1-CG1 4.19Å; A66-V757 HydrophobicContact CB-CG1 4.29Å; L67-V757 HydrophobicContact CB-CG1 4.07Å; L67-V757 HydrophobicContact CD1-CG1 4.25Å; L70-V757 HydrophobicContact CD1-CB 4.29Å; L70-V757 HydrophobicContact CD1-CG1 4.45Å; L70-V757 HydrophobicContact CD1-CG2 4.01Å; V753-V757 HydrophobicContact CG1-CG2 4.24Å; V753-V757 WeakPolarHBondContact O-CB 3.34Å; V753-V757 VanDerWaalsContact O-CG2 3.27Å; V753-V757 WeakPolarHBondContact O-CG2 3.45Å; V753-V757 PolarHBondContact O-N 2.74Å; I754-V757 PolarHBondContact O-N 2.97Å; V757-S760 PolarHBondContact O-N 2.96Å; V757-F761 VanDerWaalsContact O-CB 3.25Å; V757-F761 WeakPolarHBondContact O-CB 3.43Å; V757-F761 PolarHBondContact O-N 3.31Å
758	A	92.9	Very high	90.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-66	-47.2	176.8	0	0	0	0	0	111.7	L67 I754 G755 D756 S760 F761 G762 T772 V777	L67-A758 HydrophobicContact CD1-CB 4.12Å; I754-A758 WeakPolarHBondContact O-CB 3.4Å; I754-A758 PolarHBondContact O-N 3.45Å; G755-A758 PolarHBondContact O-N 3.31Å; D756-A758 VanDerWaalsContact C-N 3.33Å; A758-S760 VanDerWaalsContact C-N 3.31Å; A758-S760 PolarHBondContact O-N 3.45Å; A758-F761 WeakPolarHBondContact O-CB 3.31Å; A758-F761 PolarHBondContact O-N 3.21Å; A758-G762 PolarHBondContact O-N 3.36Å; A758-T772 HydrophobicContact CB-CG2 4.33Å; A758-T772 WeakPolarHBondContact O-CG2 3.44Å; A758-V777 HydrophobicContact CB-CG2 3.45Å; A758-V777 VanDerWaalsContact CB-CG2 3.45Å
759	S	89.4	Confident	90.2	Very high	15 Å²	15	18.3 Å²	18.3	11%	0.105	12%	0.117	C	C	.	.	H	α-helix	trans	-62.8	-40.2	176.4	-173.5	0	0	0	0	111.5	G755 D756 F761 G762 C763 D769	G755-S759 PolarHBondContact O-N 3.47Å; D756-S759 PolarHBondContact O-N 3.26Å; S759-F761 PolarHBondContact O-N 3.08Å; S759-G762 PolarHBondContact O-N 2.69Å; S759-C763 WeakPolarHBondContact O-CB 3.42Å; S759-C763 PolarHBondContact O-N 3.27Å; S759-D769 WeakPolarHBondContact CB-OD1 3.43Å; S759-D769 PolarHBondContact OG-OD1 2.87Å
760	S	89.4	Confident	89.9	Confident	2 Å²	2	14.3 Å²	14.3	1%	0.014	9%	0.093	C	C	.	.	H	α-helix	trans	-64.1	-39.2	174.7	-62	0	0	0	0	113.1	D756 V757 A758 S764	D756-S760 WeakPolarHBondContact O-CB 3.46Å; D756-S760 PolarHBondContact O-N 3.38Å; D756-S760 PolarHBondContact O-OG 3.23Å; V757-S760 PolarHBondContact O-N 2.96Å; A758-S760 VanDerWaalsContact C-N 3.31Å; A758-S760 PolarHBondContact O-N 3.45Å; S760-S764 WeakPolarHBondContact O-CB 3.4Å; S760-S764 PolarHBondContact O-N 3.37Å; S760-S764 PolarHBondContact O-OG 3.18Å
761	F	91.4	Very high	89.7	Confident	4 Å²	4	14.4 Å²	14.4	2%	0.018	9%	0.094	C	C	.	.	H	α-helix	trans	-63.2	-50.4	173.6	171.4	-108.7	0	0	0	111.3	A60 F64 V757 A758 S759 C763 S764 I765 T772 F776	A60-F761 HydrophobicContact CB-CE2 4.4Å; A60-F761 WeakPolarHBondContact O-CE2 3.49Å; F64-F761 HydrophobicContact CB-CD2 4.09Å; F64-F761 HydrophobicContact CB-CE2 3.64Å; F64-F761 HydrophobicContact CB-CZ 4.32Å; F64-F761 HydrophobicContact CD2-CE1 4.48Å; F64-F761 HydrophobicContact CD2-CE2 4.01Å; F64-F761 AromaticContact CD2-CZ 3.8Å; F64-F761 HydrophobicContact CD2-CZ 3.8Å; F64-F761 HydrophobicContact CG-CE2 4.25Å; F64-F761 HydrophobicContact CG-CZ 4.47Å; V757-F761 VanDerWaalsContact O-CB 3.25Å; V757-F761 WeakPolarHBondContact O-CB 3.43Å; V757-F761 PolarHBondContact O-N 3.31Å; A758-F761 WeakPolarHBondContact O-CB 3.31Å; A758-F761 PolarHBondContact O-N 3.21Å; S759-F761 PolarHBondContact O-N 3.08Å; F761-C763 VanDerWaalsContact C-N 3.33Å; F761-C763 PolarHBondContact O-N 3.4Å; F761-S764 WeakPolarHBondContact O-CB 3.24Å; F761-S764 PolarHBondContact O-N 3.4Å; F761-S764 VanDerWaalsContact O-N 3.13Å; F761-I765 HydrophobicContact CD2-CD1 4.1Å; F761-I765 HydrophobicContact CE1-CD1 3.95Å; F761-I765 HydrophobicContact CE2-CD1 3.29Å; F761-I765 HydrophobicContact CE2-CG1 4.19Å; F761-I765 HydrophobicContact CZ-CD1 3.21Å; F761-I765 HydrophobicContact CZ-CG1 4.42Å; F761-I765 PolarHBondContact O-N 3.17Å; F761-T772 HydrophobicContact CD1-CG2 4.14Å; F761-F776 HydrophobicContact CD1-CD2 4.49Å; F761-F776 HydrophobicContact CE1-CD1 4.41Å; F761-F776 AromaticContact CE1-CD2 3.67Å; F761-F776 HydrophobicContact CE1-CD2 3.67Å; F761-F776 HydrophobicContact CE1-CE1 4.48Å; F761-F776 AromaticContact CE1-CE2 3.76Å; F761-F776 HydrophobicContact CE1-CE2 3.76Å; F761-F776 HydrophobicContact CE1-CG 4.02Å; F761-F776 HydrophobicContact CE1-CZ 4.16Å; F761-F776 HydrophobicContact CZ-CE2 4.33Å; F761-F776 HydrophobicContact CZ-CZ 4.32Å
762	G	89	Confident	89.7	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-55.6	-50	177.5	0	0	0	0	0	110.8	A758 S759 S764 I765 G766 L767 T772	A758-G762 PolarHBondContact O-N 3.36Å; S759-G762 PolarHBondContact O-N 2.69Å; G762-S764 VanDerWaalsContact C-N 3.31Å; G762-S764 PolarHBondContact O-N 2.84Å; G762-I765 PolarHBondContact O-N 2.94Å; G762-G766 PolarHBondContact O-N 3.48Å; G762-L767 CarbonylContact C-O 3.19Å; G762-L767 PolarHBondContact O-N 3.25Å; G762-T772 WeakPolarHBondContact CA-OG1 3.39Å
763	C	85.3	Confident	89.7	Confident	28 Å²	28	14 Å²	14	19%	0.189	9%	0.091	C	C	.	.	H	α-helix	trans	-63.3	-34.6	178.3	-163.5	0	0	0	0	113.2	C36 S759 F761 I765 G766	C36-C763 WeakPolarHBondContact CA-SG 3.38Å; C36-C763 HydrophobicContact CB-CB 4.22Å; C36-C763 WeakPolarHBondContact CB-SG 3.37Å; C36-C763 WeakPolarHBondContact SG-CB 3.26Å; C36-C763 CovalentContact SG-SG 2.01Å; C36-C763 PolarHBondContact SG-SG 3Å; S759-C763 WeakPolarHBondContact O-CB 3.42Å; S759-C763 PolarHBondContact O-N 3.27Å; F761-C763 VanDerWaalsContact C-N 3.33Å; F761-C763 PolarHBondContact O-N 3.4Å; C763-I765 VanDerWaalsContact C-N 3.32Å; C763-I765 PolarHBondContact O-N 3.45Å; C763-G766 PolarHBondContact O-N 3.04Å
764	S	85.4	Confident	89.6	Confident	27 Å²	27	13.1 Å²	13.1	19%	0.189	9%	0.085	C	C	.	.	H	α-helix	trans	-65.2	-33.8	177.7	-63.1	0	0	0	0	113.1	S760 F761 G762	S760-S764 WeakPolarHBondContact O-CB 3.4Å; S760-S764 PolarHBondContact O-N 3.37Å; S760-S764 PolarHBondContact O-OG 3.18Å; F761-S764 WeakPolarHBondContact O-CB 3.24Å; F761-S764 PolarHBondContact O-N 3.4Å; F761-S764 VanDerWaalsContact O-N 3.13Å; G762-S764 VanDerWaalsContact C-N 3.31Å; G762-S764 PolarHBondContact O-N 2.84Å
765	I	86.2	Confident	89.5	Confident	71 Å²	71	14.1 Å²	14.1	36%	0.364	9%	0.091	S	C	.	.	H	α-helix	trans	-88.9	-25.1	177.5	-62.8	-176.8	0	0	0	111.9	A60 F761 G762 C763 L767	A60-I765 HydrophobicContact CB-CD1 4.1Å; A60-I765 HydrophobicContact CB-CG1 3.71Å; F761-I765 HydrophobicContact CD2-CD1 4.1Å; F761-I765 HydrophobicContact CE1-CD1 3.95Å; F761-I765 HydrophobicContact CE2-CD1 3.29Å; F761-I765 HydrophobicContact CE2-CG1 4.19Å; F761-I765 HydrophobicContact CZ-CD1 3.21Å; F761-I765 HydrophobicContact CZ-CG1 4.42Å; F761-I765 PolarHBondContact O-N 3.17Å; G762-I765 PolarHBondContact O-N 2.94Å; C763-I765 VanDerWaalsContact C-N 3.32Å; C763-I765 PolarHBondContact O-N 3.45Å; I765-L767 HydrophobicContact CB-CG 4.23Å; I765-L767 HydrophobicContact CG2-CD1 4.33Å; I765-L767 HydrophobicContact CG2-CD2 4.39Å; I765-L767 HydrophobicContact CG2-CG 3.92Å
766	G	82.6	Confident	89.6	Confident	34 Å²	34	15.9 Å²	15.9	35%	0.351	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	25.7	-170.2	0	0	0	0	0	113.3	G762 C763 Y903	G762-G766 PolarHBondContact O-N 3.48Å; C763-G766 PolarHBondContact O-N 3.04Å; G766-Y903 PolarHBondContact O-OH 2.8Å; G766-Y903 VanDerWaalsContact O-OH 3.11Å
767	L	87.2	Confident	89.7	Confident	17 Å²	17	15.4 Å²	15.4	9%	0.089	10%	0.095	C	C	.	.			trans	-85.6	142.9	169.1	-57.8	179.1	0	0	0	110.3	G762 I765 V771 T772 F776 Y903	G762-L767 CarbonylContact C-O 3.19Å; G762-L767 PolarHBondContact O-N 3.25Å; I765-L767 HydrophobicContact CB-CG 4.23Å; I765-L767 HydrophobicContact CG2-CD1 4.33Å; I765-L767 HydrophobicContact CG2-CD2 4.39Å; I765-L767 HydrophobicContact CG2-CG 3.92Å; L767-V771 HydrophobicContact CD2-CG1 4.34Å; L767-T772 VanDerWaalsContact CB-OG1 3.31Å; L767-T772 WeakPolarHBondContact CB-OG1 3.28Å; L767-F776 HydrophobicContact CD1-CD2 4.34Å; L767-F776 HydrophobicContact CD1-CE2 3.74Å; L767-Y903 WeakPolarHBondContact CA-OH 3.44Å; L767-Y903 VanDerWaalsContact CD2-OH 3.3Å; L767-Y903 WeakPolarHBondContact CD2-OH 2.86Å
768	T	86	Confident	89.7	Confident	2 Å²	2	15 Å²	15	1%	0.012	9%	0.093	C	C	.	.			trans	-70.7	156.9	169.2	63.7	0	0	0	0	109.9	T34 A770 V771 T772 Y903	T34-T768 HydrophobicContact CG2-CG2 4.32Å; T768-A770 PolarHBondContact O-N 3.32Å; T768-V771 PolarHBondContact O-N 3.31Å; T768-V771 WeakPolarHBondContact OG1-CG2 3.45Å; T768-V771 PolarHBondContact OG1-N 3.43Å; T768-T772 WeakPolarHBondContact O-CB 3.49Å; T768-T772 PolarHBondContact O-N 2.97Å; T768-T772 PolarHBondContact O-OG1 3.01Å; T768-Y903 HydrophobicContact CG2-CE1 4.47Å
769	D	87.9	Confident	89.7	Confident	18 Å²	18	17.9 Å²	17.9	10%	0.096	11%	0.108	C	C	.	.	H	α-helix	trans	-56.9	-40.8	175.6	-75.1	-17.8	0	0	0	111.2	D147 L148 S759 V771 T772 A773	D147-D769 HydrophobicContact CB-CB 4.39Å; L148-D769 HydrophobicContact CD1-CB 4.27Å; S759-D769 WeakPolarHBondContact CB-OD1 3.43Å; S759-D769 PolarHBondContact OG-OD1 2.87Å; D769-V771 PolarHBondContact O-N 2.87Å; D769-T772 PolarHBondContact O-N 2.98Å; D769-A773 VanDerWaalsContact O-CB 3.22Å; D769-A773 WeakPolarHBondContact O-CB 3.46Å; D769-A773 PolarHBondContact O-N 2.57Å
770	A	88.4	Confident	89.8	Confident	5 Å²	5	17.3 Å²	17.3	4%	0.041	10%	0.104	C	C	.	.	H	α-helix	trans	-59.2	-48.5	177.2	0	0	0	0	0	112.9	D147 T768 A773 I774	D147-A770 HydrophobicContact CB-CB 4.27Å; T768-A770 PolarHBondContact O-N 3.32Å; A770-A773 PolarHBondContact O-N 2.96Å; A770-I774 WeakPolarHBondContact O-CB 3.33Å; A770-I774 WeakPolarHBondContact O-CD1 3.43Å; A770-I774 VanDerWaalsContact O-CG1 3.24Å; A770-I774 WeakPolarHBondContact O-CG1 3.48Å; A770-I774 PolarHBondContact O-N 3.49Å
771	V	91.2	Very high	89.9	Confident	15 Å²	15	17.3 Å²	17.3	9%	0.091	10%	0.104	C	C	.	.	H	α-helix	trans	-68.2	-39.9	179.4	174.7	0	0	0	0	110.6	L767 T768 D769 A773 I774 T775 N902 Y903	L767-V771 HydrophobicContact CD2-CG1 4.34Å; T768-V771 PolarHBondContact O-N 3.31Å; T768-V771 WeakPolarHBondContact OG1-CG2 3.45Å; T768-V771 PolarHBondContact OG1-N 3.43Å; D769-V771 PolarHBondContact O-N 2.87Å; V771-A773 VanDerWaalsContact C-N 3.32Å; V771-A773 PolarHBondContact O-N 2.82Å; V771-I774 PolarHBondContact O-N 3Å; V771-T775 HydrophobicContact CG1-CG2 4.37Å; V771-T775 WeakPolarHBondContact O-CB 3.29Å; V771-T775 WeakPolarHBondContact O-CG2 3.49Å; V771-T775 PolarHBondContact O-N 2.9Å; V771-T775 VanDerWaalsContact O-N 3.11Å; V771-T775 PolarHBondContact O-OG1 3.13Å; V771-N902 HydrophobicContact CG2-CB 3.72Å; V771-Y903 HydrophobicContact CG2-CE2 4.4Å
772	T	91.7	Very high	89.8	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62	-42.3	177	-54.1	0	0	0	0	111.4	A758 F761 G762 L767 T768 D769 F776 V777	A758-T772 HydrophobicContact CB-CG2 4.33Å; A758-T772 WeakPolarHBondContact O-CG2 3.44Å; F761-T772 HydrophobicContact CD1-CG2 4.14Å; G762-T772 WeakPolarHBondContact CA-OG1 3.39Å; L767-T772 VanDerWaalsContact CB-OG1 3.31Å; L767-T772 WeakPolarHBondContact CB-OG1 3.28Å; T768-T772 WeakPolarHBondContact O-CB 3.49Å; T768-T772 PolarHBondContact O-N 2.97Å; T768-T772 PolarHBondContact O-OG1 3.01Å; D769-T772 PolarHBondContact O-N 2.98Å; T772-F776 PolarHBondContact O-N 3.4Å; T772-V777 PolarHBondContact O-N 3.48Å
773	A	92.9	Very high	89.7	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.115	C	C	.	.	I	π-helix	trans	-62.3	-53.1	175.9	0	0	0	0	0	112.4	L148 T152 D769 A770 V771 T775 A778	L148-A773 HydrophobicContact CD1-CB 3.92Å; L148-A773 HydrophobicContact CG-CB 4.38Å; L148-A773 VanDerWaalsContact O-CB 3.3Å; L148-A773 WeakPolarHBondContact O-CB 3.46Å; T152-A773 WeakPolarHBondContact OG1-CB 3.2Å; D769-A773 VanDerWaalsContact O-CB 3.22Å; D769-A773 WeakPolarHBondContact O-CB 3.46Å; D769-A773 PolarHBondContact O-N 2.57Å; A770-A773 PolarHBondContact O-N 2.96Å; V771-A773 VanDerWaalsContact C-N 3.32Å; V771-A773 PolarHBondContact O-N 2.82Å; A773-T775 PolarHBondContact O-N 3.17Å; A773-A778 VanDerWaalsContact O-CB 3.22Å; A773-A778 WeakPolarHBondContact O-CB 3.37Å; A773-A778 PolarHBondContact O-N 3.48Å
774	I	93.6	Very high	89.6	Confident	10 Å²	10	18.1 Å²	18.1	5%	0.051	11%	0.106	C	C	.	.	I	π-helix	trans	-64.2	-29.1	-175.6	-68.8	165.2	0	0	0	112.2	G151 A770 V771 Y894 I895 A898	G151-I774 VanDerWaalsContact O-CG1 3.26Å; G151-I774 WeakPolarHBondContact O-CG1 3.12Å; A770-I774 WeakPolarHBondContact O-CB 3.33Å; A770-I774 WeakPolarHBondContact O-CD1 3.43Å; A770-I774 VanDerWaalsContact O-CG1 3.24Å; A770-I774 WeakPolarHBondContact O-CG1 3.48Å; A770-I774 PolarHBondContact O-N 3.49Å; V771-I774 PolarHBondContact O-N 3Å; I774-Y894 HydrophobicContact CG2-CE1 3.58Å; I774-I895 HydrophobicContact CG2-CG1 4.48Å; I774-A898 HydrophobicContact CD1-CB 4.38Å
775	T	92.7	Very high	89.8	Confident	23 Å²	23	16.9 Å²	16.9	14%	0.141	10%	0.098	C	C	.	.	I	π-helix	trans	-100.1	-56	-173.6	56.8	0	0	0	0	113.6	V771 A773 L779 I895	V771-T775 HydrophobicContact CG1-CG2 4.37Å; V771-T775 WeakPolarHBondContact O-CB 3.29Å; V771-T775 WeakPolarHBondContact O-CG2 3.49Å; V771-T775 PolarHBondContact O-N 2.9Å; V771-T775 VanDerWaalsContact O-N 3.11Å; V771-T775 PolarHBondContact O-OG1 3.13Å; A773-T775 PolarHBondContact O-N 3.17Å; T775-L779 WeakPolarHBondContact O-CB 3.23Å; T775-I895 HydrophobicContact CG2-CD1 4.2Å; T775-I895 HydrophobicContact CG2-CG1 4.27Å; T775-I895 HydrophobicContact CG2-CG2 3.59Å
776	F	92.9	Very high	89.9	Confident	44 Å²	44	14.3 Å²	14.3	19%	0.193	9%	0.085	C	C	.	.	I	π-helix	trans	-96.9	-44.2	-169.9	-65.6	-74.6	0	0	0	112.6	F64 L67 F761 L767 T772 G780	F64-F776 AromaticContact CE2-CD1 3.98Å; F64-F776 HydrophobicContact CE2-CD1 3.98Å; F64-F776 AromaticContact CE2-CE1 3.99Å; F64-F776 HydrophobicContact CE2-CE1 3.99Å; L67-F776 HydrophobicContact CD2-CB 4.3Å; F761-F776 HydrophobicContact CD1-CD2 4.49Å; F761-F776 HydrophobicContact CE1-CD1 4.41Å; F761-F776 AromaticContact CE1-CD2 3.67Å; F761-F776 HydrophobicContact CE1-CD2 3.67Å; F761-F776 HydrophobicContact CE1-CE1 4.48Å; F761-F776 AromaticContact CE1-CE2 3.76Å; F761-F776 HydrophobicContact CE1-CE2 3.76Å; F761-F776 HydrophobicContact CE1-CG 4.02Å; F761-F776 HydrophobicContact CE1-CZ 4.16Å; F761-F776 HydrophobicContact CZ-CE2 4.33Å; F761-F776 HydrophobicContact CZ-CZ 4.32Å; L767-F776 HydrophobicContact CD1-CD2 4.34Å; L767-F776 HydrophobicContact CD1-CE2 3.74Å; T772-F776 PolarHBondContact O-N 3.4Å; F776-G780 PolarHBondContact O-N 2.98Å; F776-G780 VanDerWaalsContact O-N 3.09Å
777	V	94.3	Very high	90	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.081	C	C	.	.	I	π-helix	trans	-69.5	-50.7	-179.2	-171.1	0	0	0	0	110.7	L133 T152 I754 A758 T772 L779 G780 T781	L133-V777 HydrophobicContact CD2-CG1 3.88Å; T152-V777 HydrophobicContact CG2-CB 4.29Å; T152-V777 HydrophobicContact CG2-CG1 3.78Å; I754-V777 HydrophobicContact CG2-CG1 4.2Å; A758-V777 HydrophobicContact CB-CG2 3.45Å; A758-V777 VanDerWaalsContact CB-CG2 3.45Å; T772-V777 PolarHBondContact O-N 3.48Å; V777-L779 VanDerWaalsContact C-N 3.29Å; V777-L779 PolarHBondContact O-N 3.3Å; V777-G780 PolarHBondContact O-N 3.01Å; V777-G780 VanDerWaalsContact O-N 3.07Å; V777-T781 HydrophobicContact CG1-CG2 4.24Å; V777-T781 PolarHBondContact O-N 3Å; V777-T781 PolarHBondContact O-OG1 3.46Å
778	A	93.6	Very high	89.9	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-55.7	-42.8	176.5	0	0	0	0	0	113	G155 S156 A773 T781 S782	G155-A778 VanDerWaalsContact C-CB 3.43Å; S156-A778 VanDerWaalsContact N-CB 3.31Å; S156-A778 VanDerWaalsContact OG-CA 3.32Å; S156-A778 WeakPolarHBondContact OG-CA 3.22Å; S156-A778 PolarHBondContact OG-O 3.17Å; A773-A778 VanDerWaalsContact O-CB 3.22Å; A773-A778 WeakPolarHBondContact O-CB 3.37Å; A773-A778 PolarHBondContact O-N 3.48Å; A778-T781 PolarHBondContact O-OG1 3.1Å; A778-S782 WeakPolarHBondContact O-CB 3.23Å; A778-S782 PolarHBondContact O-N 3.28Å; A778-S782 VanDerWaalsContact O-N 3.14Å; A778-S782 PolarHBondContact O-OG 3.1Å
779	L	92.5	Very high	90	Very high	61 Å²	61	14.9 Å²	14.9	32%	0.319	8%	0.078	S	C	.	.	H	α-helix	trans	-59.6	-49.7	175.3	174.3	68.7	0	0	0	110.8	F159 T775 V777 S782 L783	F159-L779 HydrophobicContact CD2-CD1 4.01Å; F159-L779 HydrophobicContact CE1-CD1 4.26Å; F159-L779 HydrophobicContact CE2-CD1 3.23Å; F159-L779 HydrophobicContact CZ-CD1 3.39Å; T775-L779 WeakPolarHBondContact O-CB 3.23Å; V777-L779 VanDerWaalsContact C-N 3.29Å; V777-L779 PolarHBondContact O-N 3.3Å; L779-S782 PolarHBondContact O-N 3.23Å; L779-L783 WeakPolarHBondContact O-CG 3.22Å; L779-L783 PolarHBondContact O-N 2.91Å
780	G	91.8	Very high	90.1	Very high	3 Å²	3	17.8 Å²	17.8	3%	0.031	9%	0.09	C	C	.	.	H	α-helix	trans	-65.1	-45.2	-175.8	0	0	0	0	0	113.9	F776 V777 S782 L783	F776-G780 PolarHBondContact O-N 2.98Å; F776-G780 VanDerWaalsContact O-N 3.09Å; V777-G780 PolarHBondContact O-N 3.01Å; V777-G780 VanDerWaalsContact O-N 3.07Å; G780-S782 VanDerWaalsContact C-N 3.31Å; G780-S782 PolarHBondContact O-N 2.99Å; G780-L783 PolarHBondContact O-N 2.7Å
781	T	90.4	Very high	89.9	Confident	2 Å²	2	18.3 Å²	18.3	1%	0.012	9%	0.093	C	C	.	.	H	α-helix	trans	-70.5	-28.1	179.2	62.8	0	0	0	0	112.5	F71 P129 E130 S156 V777 A778 P784	F71-T781 HydrophobicContact CE1-CG2 4.3Å; P129-T781 HydrophobicContact CB-CG2 3.84Å; E130-T781 WeakPolarHBondContact OE1-CB 3.49Å; E130-T781 PolarHBondContact OE1-OG1 2.91Å; S156-T781 PolarHBondContact OG-OG1 3.43Å; V777-T781 HydrophobicContact CG1-CG2 4.24Å; V777-T781 PolarHBondContact O-N 3Å; V777-T781 PolarHBondContact O-OG1 3.46Å; A778-T781 PolarHBondContact O-OG1 3.1Å; T781-P784 VanDerWaalsContact O-CD 3.32Å; T781-P784 WeakPolarHBondContact O-CD 3.4Å
782	S	90.7	Very high	89.6	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-1.9	177.9	-53	0	0	0	0	114.4	S156 F159 N160 A778 L779 G780 D785 T786	S156-S782 WeakPolarHBondContact CB-OG 3.47Å; S156-S782 PolarHBondContact OG-OG 3.42Å; F159-S782 VanDerWaalsContact CD1-CB 3.42Å; N160-S782 WeakPolarHBondContact OD1-CB 3.41Å; N160-S782 PolarHBondContact OD1-OG 3.12Å; A778-S782 WeakPolarHBondContact O-CB 3.23Å; A778-S782 PolarHBondContact O-N 3.28Å; A778-S782 VanDerWaalsContact O-N 3.14Å; A778-S782 PolarHBondContact O-OG 3.1Å; L779-S782 PolarHBondContact O-N 3.23Å; G780-S782 VanDerWaalsContact C-N 3.31Å; G780-S782 PolarHBondContact O-N 2.99Å; S782-D785 PolarHBondContact O-N 3.34Å; S782-T786 PolarHBondContact O-N 3.4Å; S782-T786 PolarHBondContact O-OG1 2.89Å
783	L	87.2	Confident	89.4	Confident	46 Å²	46	17.8 Å²	17.8	24%	0.241	9%	0.09	C	C	.	.	H	α-helix	trans	-58.8	-49.2	177.4	-75.7	177.2	0	0	0	112.6	L779 G780 D785 T786 F787	L779-L783 WeakPolarHBondContact O-CG 3.22Å; L779-L783 PolarHBondContact O-N 2.91Å; G780-L783 PolarHBondContact O-N 2.7Å; L783-D785 PolarHBondContact O-N 3.37Å; L783-T786 VanDerWaalsContact O-CB 3.3Å; L783-T786 WeakPolarHBondContact O-CB 3.14Å; L783-T786 PolarHBondContact O-N 2.99Å; L783-T786 VanDerWaalsContact O-N 3.07Å; L783-F787 HydrophobicContact CD2-CE2 4.45Å; L783-F787 WeakPolarHBondContact O-CD2 3.49Å; L783-F787 PolarHBondContact O-N 3.24Å
784	P	83.4	Confident	89.1	Confident	2 Å²	2	20.6 Å²	20.6	1%	0.013	11%	0.107	C	C	.	.	H	α-helix	trans	-55.8	-38.6	177.2	-25.8	36.3	0	0	0	112.8	T781 T786 F787 A788	T781-P784 VanDerWaalsContact O-CD 3.32Å; T781-P784 WeakPolarHBondContact O-CD 3.4Å; P784-T786 VanDerWaalsContact C-N 3.33Å; P784-T786 PolarHBondContact O-N 2.74Å; P784-F787 PolarHBondContact O-N 2.73Å; P784-A788 VanDerWaalsContact O-CB 3.27Å; P784-A788 WeakPolarHBondContact O-CB 3.48Å; P784-A788 PolarHBondContact O-N 3.3Å
785	D	88	Confident	88.4	Confident	2 Å²	2	22.2 Å²	22.2	1%	0.011	13%	0.127	C	C	.	.	H	α-helix	trans	-69.8	-33.1	179.6	-67.1	-13.9	0	0	0	112.2	S126 I164 R332 S782 L783 S789	S126-D785 WeakPolarHBondContact CB-OD1 3.19Å; S126-D785 PolarHBondContact OG-OD1 3.33Å; S126-D785 PolarHBondContact OG-OD2 3.28Å; I164-D785 HydrophobicContact CD1-CB 3.79Å; R332-D785 IonicContact CZ-OD1 2.81Å; R332-D785 IonicContact NE-OD1 2.74Å; R332-D785 IonicContact NH2-OD1 3.91Å; S782-D785 PolarHBondContact O-N 3.34Å; L783-D785 PolarHBondContact O-N 3.37Å; D785-S789 VanDerWaalsContact O-CB 3.27Å; D785-S789 WeakPolarHBondContact O-CB 3.06Å; D785-S789 PolarHBondContact O-N 3.11Å; D785-S789 PolarHBondContact O-OG 2.93Å
786	T	88.7	Confident	87.9	Confident	16 Å²	16	22.2 Å²	22.2	10%	0.098	13%	0.126	C	C	.	.	H	α-helix	trans	-61.8	-48.8	176.1	-55.2	0	0	0	0	110.6	F159 I164 S782 L783 P784 K790	F159-T786 VanDerWaalsContact CE1-OG1 3.31Å; F159-T786 WeakPolarHBondContact CE1-OG1 3.4Å; I164-T786 HydrophobicContact CG1-CG2 4.37Å; I164-T786 WeakPolarHBondContact CG1-OG1 3.33Å; S782-T786 PolarHBondContact O-N 3.4Å; S782-T786 PolarHBondContact O-OG1 2.89Å; L783-T786 VanDerWaalsContact O-CB 3.3Å; L783-T786 WeakPolarHBondContact O-CB 3.14Å; L783-T786 PolarHBondContact O-N 2.99Å; L783-T786 VanDerWaalsContact O-N 3.07Å; P784-T786 VanDerWaalsContact C-N 3.33Å; P784-T786 PolarHBondContact O-N 2.74Å; T786-K790 VanDerWaalsContact O-CB 3.26Å; T786-K790 WeakPolarHBondContact O-CB 3.01Å; T786-K790 PolarHBondContact O-N 3.44Å
787	F	85.6	Confident	87.4	Confident	59 Å²	59	26.9 Å²	26.9	26%	0.259	15%	0.148	S	C	.	.	H	α-helix	trans	-73.5	-40.1	-178.6	-65.2	-73.8	0	0	0	111.6	A335 L339 L783 P784 S789 K790 V791	A335-F787 VanDerWaalsContact CB-C 3.45Å; A335-F787 HydrophobicContact CB-CB 3.63Å; L339-F787 HydrophobicContact CD1-CB 4.33Å; L339-F787 HydrophobicContact CD1-CD1 4.25Å; L339-F787 HydrophobicContact CD1-CD2 3.31Å; L339-F787 HydrophobicContact CD1-CE1 4.4Å; L339-F787 HydrophobicContact CD1-CE2 3.48Å; L339-F787 VanDerWaalsContact CD1-CE2 3.48Å; L339-F787 HydrophobicContact CD1-CG 3.72Å; L339-F787 HydrophobicContact CD1-CZ 4.04Å; L339-F787 HydrophobicContact CD2-CD1 4.07Å; L339-F787 HydrophobicContact CD2-CD2 4.35Å; L339-F787 HydrophobicContact CD2-CE1 3.68Å; L339-F787 HydrophobicContact CD2-CE2 3.97Å; L339-F787 HydrophobicContact CD2-CG 4.39Å; L339-F787 HydrophobicContact CD2-CZ 3.62Å; L339-F787 HydrophobicContact CG-CD1 4.49Å; L339-F787 HydrophobicContact CG-CD2 4.33Å; L339-F787 HydrophobicContact CG-CE2 4.34Å; L339-F787 HydrophobicContact CG-CG 4.4Å; L339-F787 HydrophobicContact CG-CZ 4.44Å; L783-F787 HydrophobicContact CD2-CE2 4.45Å; L783-F787 WeakPolarHBondContact O-CD2 3.49Å; L783-F787 PolarHBondContact O-N 3.24Å; P784-F787 PolarHBondContact O-N 2.73Å; F787-S789 PolarHBondContact O-N 2.99Å; F787-K790 WeakPolarHBondContact O-CB 3.31Å; F787-K790 PolarHBondContact O-N 3.17Å; F787-V791 WeakPolarHBondContact O-CG2 3.49Å; F787-V791 PolarHBondContact O-N 2.81Å
788	A	83.6	Confident	87.1	Confident	5 Å²	5	32.1 Å²	32.1	4%	0.041	17%	0.169	C	C	.	.	H	α-helix	trans	-56.9	-49.6	174.7	0	0	0	0	0	111.8	R332 P784 K790 V791 A792	R332-A788 HydrophobicContact CB-CB 3.66Å; R332-A788 HydrophobicContact CG-CB 3.85Å; P784-A788 VanDerWaalsContact O-CB 3.27Å; P784-A788 WeakPolarHBondContact O-CB 3.48Å; P784-A788 PolarHBondContact O-N 3.3Å; A788-K790 VanDerWaalsContact C-N 3.35Å; A788-K790 PolarHBondContact O-N 2.82Å; A788-V791 PolarHBondContact O-N 2.83Å; A788-A792 WeakPolarHBondContact O-CB 2.92Å; A788-A792 PolarHBondContact O-N 2.73Å
789	S	89.4	Confident	86.8	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.007	17%	0.169	C	C	.	.	H	α-helix	trans	-68.8	-34.7	-179.4	-50.2	0	0	0	0	111.7	I164 C168 D785 F787 A793 N805	I164-S789 VanDerWaalsContact CG2-CB 3.42Å; C168-S789 VanDerWaalsContact SG-C 3.58Å; C168-S789 PolarHBondContact SG-O 2.76Å; D785-S789 VanDerWaalsContact O-CB 3.27Å; D785-S789 WeakPolarHBondContact O-CB 3.06Å; D785-S789 PolarHBondContact O-N 3.11Å; D785-S789 PolarHBondContact O-OG 2.93Å; F787-S789 PolarHBondContact O-N 2.99Å; S789-A793 VanDerWaalsContact O-CB 3.3Å; S789-A793 WeakPolarHBondContact O-CB 3.47Å; S789-A793 PolarHBondContact O-N 2.97Å; S789-N805 PolarHBondContact OG-ND2 2.94Å; S789-N805 VanDerWaalsContact OG-ND2 3.13Å
790	K	89.4	Confident	86.4	Confident	79 Å²	79	31 Å²	31	34%	0.343	16%	0.163	S	C	.	.	H	α-helix	trans	-61	-51.5	171.9	166.9	-176.9	177	-154.3	0	111.7	V167 V171 T786 F787 A788 A792 A793 V794	V167-K790 HydrophobicContact CG1-CB 4.36Å; V171-K790 HydrophobicContact CB-CG 4.18Å; V171-K790 HydrophobicContact CG1-CD 4.1Å; V171-K790 HydrophobicContact CG1-CG 3.94Å; V171-K790 HydrophobicContact CG2-CB 4.49Å; V171-K790 HydrophobicContact CG2-CG 4.05Å; T786-K790 VanDerWaalsContact O-CB 3.26Å; T786-K790 WeakPolarHBondContact O-CB 3.01Å; T786-K790 PolarHBondContact O-N 3.44Å; F787-K790 WeakPolarHBondContact O-CB 3.31Å; F787-K790 PolarHBondContact O-N 3.17Å; A788-K790 VanDerWaalsContact C-N 3.35Å; A788-K790 PolarHBondContact O-N 2.82Å; K790-A792 VanDerWaalsContact C-N 3.32Å; K790-A793 PolarHBondContact O-N 2.83Å; K790-V794 WeakPolarHBondContact O-CG2 3.38Å; K790-V794 PolarHBondContact O-N 3.17Å; K790-V794 VanDerWaalsContact O-N 3.12Å
791	V	84.6	Confident	86	Confident	17 Å²	17	32.1 Å²	32.1	10%	0.103	17%	0.17	C	C	.	.	H	α-helix	trans	-64.2	-41.8	-178.5	177.5	0	0	0	0	109.8	Y331 A335 F787 A788 A793 V794 G795	Y331-V791 HydrophobicContact CD1-CG1 3.74Å; Y331-V791 HydrophobicContact CE1-CG1 4.46Å; A335-V791 HydrophobicContact CB-CG2 3.89Å; F787-V791 WeakPolarHBondContact O-CG2 3.49Å; F787-V791 PolarHBondContact O-N 2.81Å; A788-V791 PolarHBondContact O-N 2.83Å; V791-A793 PolarHBondContact O-N 2.97Å; V791-V794 PolarHBondContact O-N 2.89Å; V791-G795 PolarHBondContact O-N 2.97Å
792	A	84.6	Confident	85.8	Confident	4 Å²	4	32 Å²	32	3%	0.033	17%	0.169	C	C	.	.	H	α-helix	trans	-59.8	-43.9	173.6	0	0	0	0	0	112.4	Y331 A788 K790 V794 G795 D796	Y331-A792 HydrophobicContact CD2-CB 3.86Å; Y331-A792 HydrophobicContact CE2-CB 4.38Å; Y331-A792 HydrophobicContact CG-CB 4Å; A788-A792 WeakPolarHBondContact O-CB 2.92Å; A788-A792 PolarHBondContact O-N 2.73Å; K790-A792 VanDerWaalsContact C-N 3.32Å; A792-V794 VanDerWaalsContact C-N 3.28Å; A792-V794 PolarHBondContact O-N 3.07Å; A792-G795 PolarHBondContact O-N 3.22Å; A792-D796 WeakPolarHBondContact O-CB 3.34Å; A792-D796 PolarHBondContact O-N 3.46Å
793	A	87.6	Confident	85.7	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64	-31.8	179	0	0	0	0	0	113.4	C168 V171 V172 R178 S789 K790 V791 L873	C168-A793 HydrophobicContact CB-CB 4.04Å; V171-A793 HydrophobicContact CG2-CB 4.11Å; V172-A793 HydrophobicContact CG2-CB 4.35Å; R178-A793 PolarHBondContact NE-O 3.17Å; S789-A793 VanDerWaalsContact O-CB 3.3Å; S789-A793 WeakPolarHBondContact O-CB 3.47Å; S789-A793 PolarHBondContact O-N 2.97Å; K790-A793 PolarHBondContact O-N 2.83Å; V791-A793 PolarHBondContact O-N 2.97Å; A793-L873 HydrophobicContact CB-CD1 4.16Å
794	V	86.5	Confident	85.5	Confident	59 Å²	59	30.9 Å²	30.9	36%	0.358	17%	0.168	S	C	.	.	H	α-helix	trans	-77	-49.4	175.6	175.5	0	0	0	0	110.7	V171 R178 K790 V791 A792	V171-V794 HydrophobicContact CB-CG2 4.17Å; V171-V794 HydrophobicContact CG2-CG2 4.16Å; R178-V794 PolarHBondContact NH2-O 3.31Å; K790-V794 WeakPolarHBondContact O-CG2 3.38Å; K790-V794 PolarHBondContact O-N 3.17Å; K790-V794 VanDerWaalsContact O-N 3.12Å; V791-V794 PolarHBondContact O-N 2.89Å; A792-V794 VanDerWaalsContact C-N 3.28Å; A792-V794 PolarHBondContact O-N 3.07Å
795	G	79.5	Confident	85.2	Confident	44 Å²	44	31.1 Å²	31.1	45%	0.454	17%	0.169	S	C	.	.	H	α-helix	trans	-78.2	-34.9	-170.7	0	0	0	0	0	115.6	V791 A792	V791-G795 PolarHBondContact O-N 2.97Å; A792-G795 PolarHBondContact O-N 3.22Å
796	D	82.2	Confident	85.2	Confident	23 Å²	23	31 Å²	31	12%	0.123	17%	0.169	C	C	.	.			trans	-87.3	150.1	-177.5	-78.7	-26.3	0	0	0	112.8	R178 Y331 A792 Y798 S801	R178-D796 WeakPolarHBondContact CD-O 3.22Å; R178-D796 PolarHBondContact NE-O 3.11Å; R178-D796 PolarHBondContact NH2-O 3.49Å; Y331-D796 WeakPolarHBondContact CE2-OD1 3.36Å; Y331-D796 VanDerWaalsContact CE2-OD2 3.25Å; Y331-D796 WeakPolarHBondContact CE2-OD2 3.45Å; Y331-D796 VanDerWaalsContact CZ-OD1 3.31Å; Y331-D796 VanDerWaalsContact OH-CG 3.26Å; Y331-D796 PolarHBondContact OH-OD1 2.97Å; A792-D796 WeakPolarHBondContact O-CB 3.34Å; A792-D796 PolarHBondContact O-N 3.46Å; D796-Y798 VanDerWaalsContact C-N 3.32Å; D796-S801 WeakPolarHBondContact OD2-CB 3.39Å; D796-S801 PolarHBondContact OD2-OG 2.93Å
797	Q	82.1	Confident	85.1	Confident	142 Å²	142	30.4 Å²	30.4	66%	0.664	17%	0.165	S	C	*	.	S	Bend	trans	-73.8	-24.7	172.2	-62	-177.9	6.6	0	0	112.9	R178	R178-Q797 VanDerWaalsContact CD-O 3.27Å; R178-Q797 WeakPolarHBondContact CD-O 3.39Å
798	Y	87.5	Confident	85.1	Confident	110 Å²	110	27.6 Å²	27.6	43%	0.431	15%	0.153	S	C	.	.	B	Isolated β-bridge	trans	-113.4	162.5	-176.4	-56.5	-74.8	0	0	0	111.6	R179 K181 D796 D800	R179-Y798 CarbonylContact O-C 3.58Å; R179-Y798 VanDerWaalsContact O-CA 3.32Å; R179-Y798 WeakPolarHBondContact O-CA 3.41Å; R179-Y798 WeakPolarHBondContact O-CB 3.44Å; K181-Y798 HydrophobicContact CB-CD1 3.93Å; K181-Y798 HydrophobicContact CB-CE1 4.29Å; K181-Y798 HydrophobicContact CB-CG 4.19Å; K181-Y798 HydrophobicContact CD-CD2 4.43Å; K181-Y798 HydrophobicContact CD-CE1 4.39Å; K181-Y798 HydrophobicContact CD-CE2 4.24Å; D796-Y798 VanDerWaalsContact C-N 3.32Å; Y798-D800 WeakPolarHBondContact CB-OD2 3.43Å
799	A	87.9	Confident	85.3	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-89.9	-9	-178.4	0	0	0	0	0	113.6	R178 R179 I180 S801 S802 I803 L873	R178-A799 HydrophobicContact CB-CB 3.98Å; R179-A799 PolarHBondContact O-N 2.77Å; I180-A799 HydrophobicContact CG1-CB 3.94Å; A799-S801 PolarHBondContact O-N 3.21Å; A799-S802 PolarHBondContact O-N 3.5Å; A799-S802 PolarHBondContact O-OG 3.02Å; A799-I803 HydrophobicContact CB-CD1 3.76Å; A799-I803 HydrophobicContact CB-CG1 4.29Å; A799-I803 PolarHBondContact O-N 2.99Å; A799-L873 HydrophobicContact CB-CD1 3.81Å; A799-L873 HydrophobicContact CB-CG 4.07Å
800	D	84.8	Confident	85.4	Confident	37 Å²	37	27.4 Å²	27.4	20%	0.198	15%	0.151	C	C	.	.	H	α-helix	trans	-54.9	-46.8	-172	-57.8	-113.4	0	0	0	112.7	I180 K181 H182 Y798 S802 G804	I180-D800 WeakPolarHBondContact CA-OD2 3.49Å; I180-D800 WeakPolarHBondContact CG2-OD1 3.41Å; K181-D800 PolarHBondContact N-OD1 3.48Å; K181-D800 PolarHBondContact N-OD2 3.13Å; H182-D800 IonicContact CD2-OD1 2.79Å; H182-D800 PolarHBondContact N-OD1 3.27Å; Y798-D800 WeakPolarHBondContact CB-OD2 3.43Å; D800-S802 VanDerWaalsContact C-N 3.33Å; D800-S802 PolarHBondContact O-N 3.41Å; D800-G804 WeakPolarHBondContact O-CA 3.45Å; D800-G804 PolarHBondContact O-N 3.1Å
801	S	82	Confident	85.6	Confident	26 Å²	26	23.7 Å²	23.7	18%	0.182	14%	0.135	C	C	.	.	H	α-helix	trans	-63.6	-36.9	-179.2	-52	0	0	0	0	113	D796 A799 N805	D796-S801 WeakPolarHBondContact OD2-CB 3.39Å; D796-S801 PolarHBondContact OD2-OG 2.93Å; A799-S801 PolarHBondContact O-N 3.21Å; S801-N805 WeakPolarHBondContact O-CB 3.42Å; S801-N805 PolarHBondContact O-N 3.41Å
802	S	87	Confident	86	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-80.9	-48.8	-178	62.2	0	0	0	0	112.7	A799 D800 L873	A799-S802 PolarHBondContact O-N 3.5Å; A799-S802 PolarHBondContact O-OG 3.02Å; D800-S802 VanDerWaalsContact C-N 3.33Å; D800-S802 PolarHBondContact O-N 3.41Å; S802-L873 WeakPolarHBondContact OG-CD1 3.46Å
803	I	88.9	Confident	86.3	Confident	2 Å²	2	22.8 Å²	22.8	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-78.9	-39.3	-177.5	-61.4	177	0	0	0	111.2	I165 I180 F186 A799 N805 V806 T807 I861 E872 L873	I165-I803 HydrophobicContact CD1-CG1 4.09Å; I180-I803 HydrophobicContact CD1-CD1 3.92Å; I180-I803 HydrophobicContact CD1-CG2 4.31Å; I180-I803 HydrophobicContact CG1-CD1 4.1Å; F186-I803 HydrophobicContact CD2-CG2 3.96Å; F186-I803 HydrophobicContact CE2-CG2 3.38Å; F186-I803 HydrophobicContact CZ-CG2 4.25Å; A799-I803 HydrophobicContact CB-CD1 3.76Å; A799-I803 HydrophobicContact CB-CG1 4.29Å; A799-I803 PolarHBondContact O-N 2.99Å; I803-N805 PolarHBondContact O-N 3.12Å; I803-V806 PolarHBondContact O-N 3.5Å; I803-T807 HydrophobicContact CG2-CG2 4.41Å; I803-T807 PolarHBondContact O-N 2.98Å; I803-T807 PolarHBondContact O-OG1 3.49Å; I803-I861 HydrophobicContact CD1-CG2 4.33Å; I803-E872 HydrophobicContact CD1-CB 4.03Å; I803-L873 HydrophobicContact CD1-CD1 4.46Å; I803-L873 HydrophobicContact CD1-CD2 4.14Å; I803-L873 HydrophobicContact CD1-CG 4.18Å; I803-L873 HydrophobicContact CG1-CD1 4.41Å; I803-L873 HydrophobicContact CG1-CD2 4.38Å
804	G	82.2	Confident	86.7	Confident	20 Å²	20	22.8 Å²	22.8	21%	0.206	13%	0.13	C	C	.	.	H	α-helix	trans	-62.7	-33.4	175.8	0	0	0	0	0	112.1	D800 T807 G808	D800-G804 WeakPolarHBondContact O-CA 3.45Å; D800-G804 PolarHBondContact O-N 3.1Å; G804-T807 PolarHBondContact O-OG1 3.4Å; G804-G808 PolarHBondContact O-N 2.96Å
805	N	77.5	Confident	87.1	Confident	7 Å²	7	20 Å²	20	4%	0.037	11%	0.113	C	C	.	.	H	α-helix	trans	-59.3	-53.6	172.8	-173.6	52.7	0	0	0	111.8	R328 S789 S801 I803 S809	R328-N805 PolarHBondContact NE-OD1 2.81Å; R328-N805 VanDerWaalsContact NH2-CA 3.35Å; R328-N805 PolarHBondContact NH2-OD1 3.48Å; S789-N805 PolarHBondContact OG-ND2 2.94Å; S789-N805 VanDerWaalsContact OG-ND2 3.13Å; S801-N805 WeakPolarHBondContact O-CB 3.42Å; S801-N805 PolarHBondContact O-N 3.41Å; I803-N805 PolarHBondContact O-N 3.12Å; N805-S809 WeakPolarHBondContact O-CB 3.36Å; N805-S809 PolarHBondContact O-N 2.78Å; N805-S809 PolarHBondContact O-OG 3.32Å
806	V	86.9	Confident	87.8	Confident	1 Å²	1	18.8 Å²	18.8	1%	0.006	10%	0.095	C	C	.	.	H	α-helix	trans	-61.2	-50	179.9	163.9	0	0	0	0	112.3	N160 L161 I164 I165 I803 N810	N160-V806 VanDerWaalsContact C-CG1 3.5Å; N160-V806 HydrophobicContact CB-CG1 3.98Å; N160-V806 HydrophobicContact CB-CG2 4.48Å; N160-V806 VanDerWaalsContact O-CG1 3.31Å; N160-V806 WeakPolarHBondContact O-CG1 3.5Å; L161-V806 HydrophobicContact CB-CG1 4.49Å; L161-V806 HydrophobicContact CD1-CG1 4.37Å; I164-V806 HydrophobicContact CB-CG2 4.2Å; I164-V806 HydrophobicContact CG2-CG2 3.87Å; I165-V806 HydrophobicContact CD1-CB 4.08Å; I165-V806 HydrophobicContact CD1-CG1 4.16Å; I165-V806 HydrophobicContact CD1-CG2 3.9Å; I165-V806 HydrophobicContact CG1-CG1 4.24Å; I803-V806 PolarHBondContact O-N 3.5Å; V806-N810 WeakPolarHBondContact O-CB 3.4Å; V806-N810 PolarHBondContact O-N 2.84Å; V806-N810 VanDerWaalsContact O-N 3.09Å; V806-N810 PolarHBondContact O-OD1 3.11Å
807	T	87.3	Confident	88.2	Confident	3 Å²	3	17.7 Å²	17.7	2%	0.018	9%	0.09	C	C	.	.	H	α-helix	trans	-69.9	-38.3	-175.6	50.6	0	0	0	0	113	F186 S193 I803 G804 A811	F186-T807 HydrophobicContact CE2-CG2 4.06Å; S193-T807 WeakPolarHBondContact CB-O 3.08Å; I803-T807 HydrophobicContact CG2-CG2 4.41Å; I803-T807 PolarHBondContact O-N 2.98Å; I803-T807 PolarHBondContact O-OG1 3.49Å; G804-T807 PolarHBondContact O-OG1 3.4Å; T807-A811 PolarHBondContact O-N 2.79Å
808	G	86.3	Confident	88.8	Confident	0 Å²	0	11 Å²	11	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-62.4	-53	173.8	0	0	0	0	0	111.8	G804 N810 A811 V812	G804-G808 PolarHBondContact O-N 2.96Å; G808-N810 VanDerWaalsContact C-N 3.27Å; G808-N810 PolarHBondContact O-N 2.74Å; G808-A811 PolarHBondContact O-N 2.86Å; G808-A811 VanDerWaalsContact O-N 3.15Å; G808-V812 WeakPolarHBondContact O-CG2 3.17Å; G808-V812 PolarHBondContact O-N 2.99Å; G808-V812 VanDerWaalsContact O-N 3.12Å
809	S	88.2	Confident	89.1	Confident	1 Å²	1	5.7 Å²	5.7	1%	0.007	4%	0.038	C	C	.	.	H	α-helix	trans	-58.4	-38.3	179.8	-61.5	0	0	0	0	112.4	S126 S127 N805 A811 V812 N813	S126-S809 WeakPolarHBondContact CB-OG 3.3Å; S126-S809 PolarHBondContact OG-OG 2.99Å; S127-S809 WeakPolarHBondContact OG-CB 3.16Å; S127-S809 PolarHBondContact OG-O 2.99Å; N805-S809 WeakPolarHBondContact O-CB 3.36Å; N805-S809 PolarHBondContact O-N 2.78Å; N805-S809 PolarHBondContact O-OG 3.32Å; S809-A811 PolarHBondContact O-N 3Å; S809-V812 PolarHBondContact O-N 3.02Å; S809-N813 PolarHBondContact O-N 2.81Å; S809-N813 PolarHBondContact O-OD1 2.94Å
810	N	91.4	Very high	89.4	Confident	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-62.4	-39.2	177.7	-74.2	2.7	0	0	0	113.3	A157 N160 Y197 V806 G808 Y850	A157-N810 PolarHBondContact O-ND2 3.35Å; N160-N810 WeakPolarHBondContact CB-OD1 3.32Å; N160-N810 PolarHBondContact ND2-OD1 2.83Å; Y197-N810 HydrophobicContact CE2-CB 4.21Å; Y197-N810 VanDerWaalsContact CE2-O 3.28Å; Y197-N810 WeakPolarHBondContact CE2-O 3.43Å; Y197-N810 PolarHBondContact OH-O 3.47Å; V806-N810 WeakPolarHBondContact O-CB 3.4Å; V806-N810 PolarHBondContact O-N 2.84Å; V806-N810 VanDerWaalsContact O-N 3.09Å; V806-N810 PolarHBondContact O-OD1 3.11Å; G808-N810 VanDerWaalsContact C-N 3.27Å; G808-N810 PolarHBondContact O-N 2.74Å; N810-Y850 PolarHBondContact ND2-OH 3.38Å
811	A	91.9	Very high	89.9	Confident	1 Å²	1	6.7 Å²	6.7	1%	0.008	4%	0.043	C	C	.	.	H	α-helix	trans	-69.9	-43.1	176.7	0	0	0	0	0	111.4	I227 T807 G808 S809 N813 V814 F815	I227-A811 HydrophobicContact CD1-CB 3.88Å; T807-A811 PolarHBondContact O-N 2.79Å; G808-A811 PolarHBondContact O-N 2.86Å; G808-A811 VanDerWaalsContact O-N 3.15Å; S809-A811 PolarHBondContact O-N 3Å; A811-N813 PolarHBondContact O-N 3.31Å; A811-V814 PolarHBondContact O-N 2.79Å; A811-F815 HydrophobicContact CB-CD2 4.28Å; A811-F815 HydrophobicContact CB-CE2 4.25Å; A811-F815 WeakPolarHBondContact O-CD2 3.45Å; A811-F815 PolarHBondContact O-N 2.9Å
812	V	92.7	Very high	90.5	Very high	3 Å²	3	5.6 Å²	5.6	2%	0.018	4%	0.035	C	C	.	.	H	α-helix	trans	-64.6	-38.7	-179.4	178.7	0	0	0	0	111.6	L119 A123 I131 F224 G808 S809 V814 L816 G817	L119-V812 WeakPolarHBondContact O-CG2 3.31Å; A123-V812 HydrophobicContact CB-CB 4.35Å; A123-V812 HydrophobicContact CB-CG2 3.72Å; I131-V812 HydrophobicContact CD1-CG1 4.06Å; F224-V812 HydrophobicContact CD2-CG2 4.18Å; F224-V812 HydrophobicContact CE2-CB 4.5Å; F224-V812 HydrophobicContact CE2-CG1 4.15Å; F224-V812 HydrophobicContact CE2-CG2 3.7Å; G808-V812 WeakPolarHBondContact O-CG2 3.17Å; G808-V812 PolarHBondContact O-N 2.99Å; G808-V812 VanDerWaalsContact O-N 3.12Å; S809-V812 PolarHBondContact O-N 3.02Å; V812-V814 PolarHBondContact O-N 2.79Å; V812-L816 HydrophobicContact CG1-CB 3.87Å; V812-L816 HydrophobicContact CG1-CD2 3.95Å; V812-L816 WeakPolarHBondContact O-CA 3.46Å; V812-L816 VanDerWaalsContact O-CB 3.23Å; V812-L816 WeakPolarHBondContact O-CB 3.36Å; V812-L816 PolarHBondContact O-N 2.78Å; V812-G817 PolarHBondContact O-N 2.87Å
813	N	92.6	Very high	90.9	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	4%	0.036	C	C	.	.	I	π-helix	trans	-52.1	-42.4	176.2	-74	-2.6	0	0	0	112.5	S127 I153 S809 A811 G817 I818	S127-N813 WeakPolarHBondContact CB-OD1 3.47Å; S127-N813 PolarHBondContact OG-OD1 3.46Å; I153-N813 WeakPolarHBondContact CD1-O 3.41Å; I153-N813 HydrophobicContact CG1-CB 4.33Å; I153-N813 HydrophobicContact CG2-CB 3.83Å; S809-N813 PolarHBondContact O-N 2.81Å; S809-N813 PolarHBondContact O-OD1 2.94Å; A811-N813 PolarHBondContact O-N 3.31Å; N813-G817 WeakPolarHBondContact O-CA 3.35Å; N813-G817 PolarHBondContact O-N 2.75Å; N813-I818 PolarHBondContact O-N 2.82Å
814	V	94.7	Very high	91.2	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.051	C	C	.	.	I	π-helix	trans	-83.5	-55.5	-178.6	-179	0	0	0	0	111.2	I153 A196 Y197 M200 A811 V812 L816 I818 G819	I153-V814 HydrophobicContact CG2-CG2 4.1Å; A196-V814 HydrophobicContact CB-CB 3.79Å; A196-V814 HydrophobicContact CB-CG1 4.04Å; A196-V814 HydrophobicContact CB-CG2 4.17Å; A196-V814 WeakPolarHBondContact O-CG1 3.44Å; Y197-V814 HydrophobicContact CD1-CG2 3.92Å; Y197-V814 HydrophobicContact CD2-CG2 4.16Å; Y197-V814 HydrophobicContact CE1-CG2 3.5Å; Y197-V814 HydrophobicContact CE2-CG2 3.76Å; Y197-V814 HydrophobicContact CG-CG2 4.2Å; M200-V814 HydrophobicContact CB-CG1 4.26Å; M200-V814 HydrophobicContact CE-CB 4.43Å; M200-V814 HydrophobicContact CE-CG1 3.98Å; M200-V814 HydrophobicContact CE-CG2 3.57Å; A811-V814 PolarHBondContact O-N 2.79Å; V812-V814 PolarHBondContact O-N 2.79Å; V814-L816 VanDerWaalsContact C-N 3.35Å; V814-L816 PolarHBondContact O-N 2.85Å; V814-I818 HydrophobicContact CG1-CB 4.48Å; V814-I818 WeakPolarHBondContact O-CB 3.31Å; V814-I818 PolarHBondContact O-N 2.83Å; V814-G819 PolarHBondContact O-N 2.83Å
815	F	95.1	Very high	91.8	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.041	C	C	.	.	I	π-helix	trans	-65.4	-39	-174.2	-62.5	-44	0	0	0	112.4	W192 F195 A196 T220 F221 F223 F224 I227 A811 G819	W192-F815 AromaticContact CE3-CE2 3.96Å; W192-F815 HydrophobicContact CE3-CE2 3.96Å; W192-F815 AromaticContact CE3-CZ 3.77Å; W192-F815 HydrophobicContact CE3-CZ 3.77Å; W192-F815 HydrophobicContact CZ3-CZ 4.29Å; F195-F815 HydrophobicContact CD1-CZ 4.13Å; A196-F815 HydrophobicContact CB-CD1 4.18Å; A196-F815 HydrophobicContact CB-CD2 4.26Å; A196-F815 HydrophobicContact CB-CE1 3.61Å; A196-F815 HydrophobicContact CB-CE2 3.7Å; A196-F815 HydrophobicContact CB-CG 4.47Å; A196-F815 HydrophobicContact CB-CZ 3.32Å; T220-F815 HydrophobicContact CG2-CD1 4.34Å; F221-F815 WeakPolarHBondContact CA-O 3.46Å; F223-F815 HydrophobicContact CB-CD1 3.5Å; F223-F815 VanDerWaalsContact CB-CD1 3.5Å; F223-F815 HydrophobicContact CB-CD2 4.39Å; F223-F815 HydrophobicContact CB-CE1 3.58Å; F223-F815 HydrophobicContact CB-CE2 4.46Å; F223-F815 HydrophobicContact CB-CG 3.94Å; F223-F815 HydrophobicContact CB-CZ 4.09Å; F223-F815 HydrophobicContact CD2-CD1 4.23Å; F223-F815 AromaticContact CD2-CE1 3.86Å; F223-F815 HydrophobicContact CD2-CE1 3.86Å; F223-F815 HydrophobicContact CG-CD1 4.35Å; F223-F815 HydrophobicContact CG-CE1 4.09Å; F224-F815 HydrophobicContact CB-CB 3.85Å; I227-F815 HydrophobicContact CG2-CD2 4.34Å; A811-F815 HydrophobicContact CB-CD2 4.28Å; A811-F815 HydrophobicContact CB-CE2 4.25Å; A811-F815 WeakPolarHBondContact O-CD2 3.45Å; A811-F815 PolarHBondContact O-N 2.9Å; F815-G819 WeakPolarHBondContact O-CA 3.43Å
816	L	94	Very high	92.7	Very high	18 Å²	18	7.5 Å²	7.5	9%	0.094	4%	0.04	C	C	.	.	I	π-helix	trans	-90.8	-49.8	177	-174.3	59.8	0	0	0	111.9	L124 I131 F221 V812 V814 L820	L124-L816 HydrophobicContact CD1-CD2 3.64Å; L124-L816 HydrophobicContact CG-CD2 4.18Å; I131-L816 HydrophobicContact CD1-CB 4.49Å; I131-L816 HydrophobicContact CD1-CD2 4.01Å; I131-L816 HydrophobicContact CD1-CG 4.31Å; F221-L816 HydrophobicContact CD2-CD1 4.14Å; F221-L816 HydrophobicContact CE2-CD1 3.57Å; V812-L816 HydrophobicContact CG1-CB 3.87Å; V812-L816 HydrophobicContact CG1-CD2 3.95Å; V812-L816 WeakPolarHBondContact O-CA 3.46Å; V812-L816 VanDerWaalsContact O-CB 3.23Å; V812-L816 WeakPolarHBondContact O-CB 3.36Å; V812-L816 PolarHBondContact O-N 2.78Å; V814-L816 VanDerWaalsContact C-N 3.35Å; V814-L816 PolarHBondContact O-N 2.85Å; L816-L820 WeakPolarHBondContact O-CB 3.09Å; L816-L820 PolarHBondContact O-N 2.83Å
817	G	91.6	Very high	93.1	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.057	C	C	.	.	I	π-helix	trans	-66.9	-64.7	-175.5	0	0	0	0	0	113.5	V812 N813 G821	V812-G817 PolarHBondContact O-N 2.87Å; N813-G817 WeakPolarHBondContact O-CA 3.35Å; N813-G817 PolarHBondContact O-N 2.75Å; G817-G821 PolarHBondContact O-N 3.3Å
818	I	93.5	Very high	93.5	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	7%	0.068	C	C	.	.	I	π-helix	trans	-64.2	-46.5	175.8	-65.8	-58.6	0	0	0	110.8	P150 I153 M200 N813 V814 L820 G821 W822	P150-I818 HydrophobicContact CB-CD1 4.02Å; P150-I818 HydrophobicContact CG-CD1 3.92Å; I153-I818 HydrophobicContact CD1-CD1 3.68Å; I153-I818 HydrophobicContact CD1-CG1 3.69Å; I153-I818 HydrophobicContact CG2-CG1 4.42Å; M200-I818 HydrophobicContact SD-CG1 4.2Å; N813-I818 PolarHBondContact O-N 2.82Å; V814-I818 HydrophobicContact CG1-CB 4.48Å; V814-I818 WeakPolarHBondContact O-CB 3.31Å; V814-I818 PolarHBondContact O-N 2.83Å; I818-L820 PolarHBondContact O-N 2.8Å; I818-G821 PolarHBondContact O-N 3Å; I818-W822 HydrophobicContact CD1-CZ2 4.29Å; I818-W822 HydrophobicContact CG2-CD2 3.29Å; I818-W822 VanDerWaalsContact CG2-CE2 3.42Å; I818-W822 HydrophobicContact CG2-CE3 3.44Å; I818-W822 VanDerWaalsContact CG2-CE3 3.44Å; I818-W822 HydrophobicContact CG2-CG 3.87Å; I818-W822 HydrophobicContact CG2-CH2 3.8Å; I818-W822 HydrophobicContact CG2-CZ2 3.66Å; I818-W822 HydrophobicContact CG2-CZ3 3.72Å; I818-W822 VanDerWaalsContact O-CB 3.29Å; I818-W822 WeakPolarHBondContact O-CB 3.24Å; I818-W822 PolarHBondContact O-N 3.26Å
819	G	94.8	Very high	93.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-57.3	-45.6	-178.2	0	0	0	0	0	113.4	V814 F815 S823	V814-G819 PolarHBondContact O-N 2.83Å; F815-G819 WeakPolarHBondContact O-CA 3.43Å; G819-S823 WeakPolarHBondContact O-CB 3.44Å; G819-S823 PolarHBondContact O-N 3.15Å; G819-S823 PolarHBondContact O-OG 3.44Å
820	L	94.6	Very high	94.2	Very high	56 Å²	56	17.2 Å²	17.2	29%	0.293	9%	0.094	S	C	.	.	H	α-helix	trans	-68.3	-49.9	177.7	-178.7	61.6	0	0	0	111.7	V135 L816 I818 W822 S823 I824	V135-L820 HydrophobicContact CG2-CD2 4.16Å; V135-L820 HydrophobicContact CG2-CG 4.32Å; L816-L820 WeakPolarHBondContact O-CB 3.09Å; L816-L820 PolarHBondContact O-N 2.83Å; I818-L820 PolarHBondContact O-N 2.8Å; L820-W822 PolarHBondContact O-N 3.42Å; L820-S823 PolarHBondContact O-N 3.48Å; L820-I824 HydrophobicContact CD1-CD1 4.09Å; L820-I824 HydrophobicContact CD1-CG1 4.47Å; L820-I824 HydrophobicContact CG-CD1 4.07Å; L820-I824 WeakPolarHBondContact O-CG1 3.28Å; L820-I824 PolarHBondContact O-N 3.03Å; L820-I824 VanDerWaalsContact O-N 3.07Å
821	G	93.9	Very high	94.3	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-59.3	-48.6	-178.7	0	0	0	0	0	112.4	I138 G817 I818 I824 A825	I138-G821 WeakPolarHBondContact CD1-O 3.1Å; G817-G821 PolarHBondContact O-N 3.3Å; I818-G821 PolarHBondContact O-N 3Å; G821-I824 PolarHBondContact O-N 2.91Å; G821-A825 PolarHBondContact O-N 3.31Å; G821-A825 VanDerWaalsContact O-N 3.09Å
822	W	95.3	Very high	94.4	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.015	15%	0.154	C	C	.	.	H	α-helix	trans	-70.1	-31.5	179	-68.2	3.3	0	0	0	112.3	M200 I203 I204 V212 A217 I818 L820 A825 A826 F836 V838 L843	M200-W822 HydrophobicContact CG-CH2 4.17Å; I203-W822 HydrophobicContact CD1-CE3 3.94Å; I203-W822 HydrophobicContact CD1-CZ3 3.45Å; I203-W822 VanDerWaalsContact CD1-CZ3 3.45Å; I203-W822 HydrophobicContact CG1-CZ3 3.99Å; I204-W822 HydrophobicContact CG2-CH2 3.6Å; I204-W822 HydrophobicContact CG2-CZ3 3.87Å; V212-W822 HydrophobicContact CG1-CE3 4.01Å; V212-W822 HydrophobicContact CG2-CE3 3.89Å; V212-W822 HydrophobicContact CG2-CZ3 3.93Å; A217-W822 HydrophobicContact CB-CB 4.04Å; I818-W822 HydrophobicContact CD1-CZ2 4.29Å; I818-W822 HydrophobicContact CG2-CD2 3.29Å; I818-W822 VanDerWaalsContact CG2-CE2 3.42Å; I818-W822 HydrophobicContact CG2-CE3 3.44Å; I818-W822 VanDerWaalsContact CG2-CE3 3.44Å; I818-W822 HydrophobicContact CG2-CG 3.87Å; I818-W822 HydrophobicContact CG2-CH2 3.8Å; I818-W822 HydrophobicContact CG2-CZ2 3.66Å; I818-W822 HydrophobicContact CG2-CZ3 3.72Å; I818-W822 VanDerWaalsContact O-CB 3.29Å; I818-W822 WeakPolarHBondContact O-CB 3.24Å; I818-W822 PolarHBondContact O-N 3.26Å; L820-W822 PolarHBondContact O-N 3.42Å; W822-A825 PolarHBondContact O-N 3.38Å; W822-A826 WeakPolarHBondContact O-CB 3.14Å; W822-A826 PolarHBondContact O-N 3.2Å; W822-F836 HydrophobicContact CB-CE1 3.95Å; W822-F836 AromaticContact CD1-CE1 3.79Å; W822-F836 AromaticContact CD1-CZ 3.83Å; W822-F836 HydrophobicContact CD2-CE1 4.27Å; W822-F836 AromaticContact CG-CE1 3.75Å; W822-F836 HydrophobicContact CG-CE1 3.75Å; W822-F836 HydrophobicContact CG-CZ 4.26Å; W822-V838 HydrophobicContact CH2-CG1 4.12Å; W822-V838 HydrophobicContact CZ2-CG1 3.89Å; W822-L843 HydrophobicContact CZ2-CD2 4.48Å
823	S	95.9	Very high	94.4	Very high	5 Å²	5	33.1 Å²	33.1	4%	0.035	19%	0.188	C	C	.	.	H	α-helix	trans	-63.1	-45.4	174.5	-68.1	0	0	0	0	111	A217 L218 G819 L820 I827	A217-S823 PolarHBondContact O-OG 3.11Å; A217-S823 VanDerWaalsContact O-OG 3.1Å; L218-S823 PolarHBondContact N-OG 2.94Å; G819-S823 WeakPolarHBondContact O-CB 3.44Å; G819-S823 PolarHBondContact O-N 3.15Å; G819-S823 PolarHBondContact O-OG 3.44Å; L820-S823 PolarHBondContact O-N 3.48Å; S823-I827 WeakPolarHBondContact O-CB 3.38Å; S823-I827 WeakPolarHBondContact O-CD1 3.46Å; S823-I827 WeakPolarHBondContact O-CG1 3.43Å; S823-I827 PolarHBondContact O-N 2.69Å
824	I	95	Very high	94.4	Very high	61 Å²	61	36.5 Å²	36.5	31%	0.313	21%	0.208	S	C	.	.	H	α-helix	trans	-60.9	-47.3	177.5	-67.1	166.5	0	0	0	110.3	V135 F143 L820 G821 Y828	V135-I824 HydrophobicContact CG1-CD1 4.47Å; F143-I824 HydrophobicContact CD1-CG2 4Å; F143-I824 HydrophobicContact CE1-CG2 3.62Å; L820-I824 HydrophobicContact CD1-CD1 4.09Å; L820-I824 HydrophobicContact CD1-CG1 4.47Å; L820-I824 HydrophobicContact CG-CD1 4.07Å; L820-I824 WeakPolarHBondContact O-CG1 3.28Å; L820-I824 PolarHBondContact O-N 3.03Å; L820-I824 VanDerWaalsContact O-N 3.07Å; G821-I824 PolarHBondContact O-N 2.91Å; I824-Y828 WeakPolarHBondContact O-CB 3.05Å; I824-Y828 PolarHBondContact O-N 2.86Å; I824-Y828 VanDerWaalsContact O-N 3.08Å
825	A	95.1	Very high	94.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.1	-48.7	179.6	0	0	0	0	0	112.8	I138 F143 G821 W822 I827 Y828 H829 F836	I138-A825 HydrophobicContact CG2-CB 3.71Å; F143-A825 HydrophobicContact CB-CB 4.4Å; G821-A825 PolarHBondContact O-N 3.31Å; G821-A825 VanDerWaalsContact O-N 3.09Å; W822-A825 PolarHBondContact O-N 3.38Å; A825-I827 VanDerWaalsContact C-N 3.35Å; A825-I827 PolarHBondContact O-N 2.74Å; A825-Y828 PolarHBondContact O-N 3.3Å; A825-H829 WeakPolarHBondContact O-CB 3.4Å; A825-H829 PolarHBondContact O-CD2 3.23Å; A825-H829 VanDerWaalsContact O-CD2 3.28Å; A825-H829 PolarHBondContact O-N 2.88Å; A825-F836 HydrophobicContact CB-CD1 4.14Å; A825-F836 HydrophobicContact CB-CD2 3.67Å; A825-F836 HydrophobicContact CB-CE1 3.99Å; A825-F836 HydrophobicContact CB-CE2 3.46Å; A825-F836 VanDerWaalsContact CB-CE2 3.46Å; A825-F836 HydrophobicContact CB-CG 4.02Å; A825-F836 HydrophobicContact CB-CZ 3.65Å
826	A	95.4	Very high	94.2	Very high	3 Å²	3	43.1 Å²	43.1	3%	0.025	24%	0.239	C	C	.	.	H	α-helix	trans	-62.4	-41.6	-178.7	0	0	0	0	0	111.5	V214 A217 W822 H829 A830 F836	V214-A826 HydrophobicContact CG2-CB 4.07Å; A217-A826 HydrophobicContact CB-CB 4.18Å; W822-A826 WeakPolarHBondContact O-CB 3.14Å; W822-A826 PolarHBondContact O-N 3.2Å; A826-H829 PolarHBondContact O-N 2.81Å; A826-A830 WeakPolarHBondContact O-CB 3.41Å; A826-A830 PolarHBondContact O-N 3.04Å; A826-F836 HydrophobicContact CB-CB 4.48Å; A826-F836 HydrophobicContact CB-CD1 4.39Å
827	I	95.9	Very high	94	Very high	70 Å²	70	46.9 Å²	46.9	36%	0.359	26%	0.259	S	S	.	.	H	α-helix	trans	-63.3	-45.7	175.5	-68.6	167	0	0	0	110.7	V214 L218 S823 A825 H829 A830 I831	V214-I827 HydrophobicContact CG1-CG1 3.97Å; L218-I827 HydrophobicContact CD2-CD1 4.36Å; S823-I827 WeakPolarHBondContact O-CB 3.38Å; S823-I827 WeakPolarHBondContact O-CD1 3.46Å; S823-I827 WeakPolarHBondContact O-CG1 3.43Å; S823-I827 PolarHBondContact O-N 2.69Å; A825-I827 VanDerWaalsContact C-N 3.35Å; A825-I827 PolarHBondContact O-N 2.74Å; I827-H829 PolarHBondContact O-N 2.96Å; I827-A830 PolarHBondContact O-N 2.76Å; I827-I831 HydrophobicContact CG2-CD1 3.84Å; I827-I831 HydrophobicContact CG2-CG1 4.47Å; I827-I831 VanDerWaalsContact O-CG1 3.3Å; I827-I831 WeakPolarHBondContact O-CG1 3.38Å; I827-I831 PolarHBondContact O-N 2.91Å
828	Y	95.9	Very high	93.8	Very high	60 Å²	60	47.1 Å²	47.1	24%	0.235	26%	0.261	C	S	.	.	H	α-helix	trans	-60.6	-46.7	178.3	171.4	-95.2	0	0	0	112.3	F143 I824 A825 I831 K832	F143-Y828 HydrophobicContact CB-CD1 3.43Å; F143-Y828 VanDerWaalsContact CB-CD1 3.43Å; F143-Y828 HydrophobicContact CB-CE1 3.73Å; F143-Y828 HydrophobicContact CB-CG 4.1Å; F143-Y828 HydrophobicContact CD1-CD1 4.25Å; F143-Y828 HydrophobicContact CD1-CG 4.05Å; F143-Y828 AromaticContact CD2-CD1 3.46Å; F143-Y828 HydrophobicContact CD2-CD1 3.46Å; F143-Y828 VanDerWaalsContact CD2-CD1 3.46Å; F143-Y828 AromaticContact CD2-CD2 3.75Å; F143-Y828 HydrophobicContact CD2-CD2 3.75Å; F143-Y828 AromaticContact CD2-CE1 3.28Å; F143-Y828 HydrophobicContact CD2-CE1 3.28Å; F143-Y828 AromaticContact CD2-CE2 3.61Å; F143-Y828 HydrophobicContact CD2-CE2 3.61Å; F143-Y828 AromaticContact CD2-CG 3.64Å; F143-Y828 HydrophobicContact CD2-CG 3.64Å; F143-Y828 AromaticContact CD2-CZ 3.29Å; F143-Y828 HydrophobicContact CE1-CG 4.39Å; F143-Y828 HydrophobicContact CE2-CD1 4.27Å; F143-Y828 AromaticContact CE2-CD2 3.69Å; F143-Y828 HydrophobicContact CE2-CD2 3.69Å; F143-Y828 HydrophobicContact CE2-CE1 4.1Å; F143-Y828 AromaticContact CE2-CE2 3.52Å; F143-Y828 HydrophobicContact CE2-CE2 3.52Å; F143-Y828 HydrophobicContact CE2-CG 4.02Å; F143-Y828 AromaticContact CE2-CZ 3.67Å; F143-Y828 AromaticContact CG-CD1 3.45Å; F143-Y828 HydrophobicContact CG-CD1 3.45Å; F143-Y828 VanDerWaalsContact CG-CD1 3.45Å; F143-Y828 HydrophobicContact CG-CD2 4.2Å; F143-Y828 AromaticContact CG-CE1 3.72Å; F143-Y828 HydrophobicContact CG-CE1 3.72Å; F143-Y828 HydrophobicContact CG-CE2 4.45Å; F143-Y828 AromaticContact CG-CG 3.65Å; F143-Y828 HydrophobicContact CG-CG 3.65Å; F143-Y828 HydrophobicContact CZ-CD2 4.09Å; F143-Y828 HydrophobicContact CZ-CE2 4.31Å; F143-Y828 HydrophobicContact CZ-CG 4.38Å; I824-Y828 WeakPolarHBondContact O-CB 3.05Å; I824-Y828 PolarHBondContact O-N 2.86Å; I824-Y828 VanDerWaalsContact O-N 3.08Å; A825-Y828 PolarHBondContact O-N 3.3Å; Y828-I831 PolarHBondContact O-N 2.97Å; Y828-K832 HydrophobicContact CD1-CD 4.42Å; Y828-K832 HydrophobicContact CE1-CD 3.79Å; Y828-K832 HydrophobicContact CE2-CD 4.16Å; Y828-K832 VanDerWaalsContact CZ-NZ 3.33Å; Y828-K832 PolarHBondContact O-N 2.92Å; Y828-K832 VanDerWaalsContact O-N 3.09Å; Y828-K832 VanDerWaalsContact OH-CE 3.3Å; Y828-K832 WeakPolarHBondContact OH-CE 3.47Å; Y828-K832 PolarHBondContact OH-NZ 2.93Å
829	H	95.2	Very high	93.3	Very high	23 Å²	23	52.7 Å²	52.7	11%	0.106	29%	0.287	C	S	.	.	H	α-helix	trans	-64.1	-40.2	177.3	-84	-72.3	0	0	0	111.8	F143 A825 A826 I827 I831 K832 G833 T834 F836	F143-H829 PolarHBondContact O-NE2 3.16Å; F143-H829 VanDerWaalsContact O-NE2 3.09Å; A825-H829 WeakPolarHBondContact O-CB 3.4Å; A825-H829 PolarHBondContact O-CD2 3.23Å; A825-H829 VanDerWaalsContact O-CD2 3.28Å; A825-H829 PolarHBondContact O-N 2.88Å; A826-H829 PolarHBondContact O-N 2.81Å; I827-H829 PolarHBondContact O-N 2.96Å; H829-I831 PolarHBondContact O-N 2.92Å; H829-K832 CarbonylContact O-C 3.6Å; H829-K832 PolarHBondContact O-N 3.36Å; H829-K832 VanDerWaalsContact O-N 3.15Å; H829-G833 PolarHBondContact O-N 3.12Å; H829-T834 CarbonylContact C-O 3.59Å; H829-T834 WeakPolarHBondContact CB-O 3.13Å; H829-T834 PolarHBondContact ND1-OG1 2.88Å; H829-T834 PolarHBondContact O-N 2.97Å; H829-T834 PolarHBondContact O-OG1 3.4Å; H829-F836 HydrophobicContact CB-CB 4.16Å; H829-F836 AromaticContact CD2-CD2 3.7Å
830	A	93.5	Very high	92.5	Very high	55 Å²	55	54.2 Å²	54.2	46%	0.455	30%	0.297	S	S	.	.	H	α-helix	trans	-61.8	-41.8	175.2	0	0	0	0	0	112.5	V214 A826 I827 K832 G833	V214-A830 HydrophobicContact CG2-CB 3.67Å; A826-A830 WeakPolarHBondContact O-CB 3.41Å; A826-A830 PolarHBondContact O-N 3.04Å; I827-A830 PolarHBondContact O-N 2.76Å; A830-K832 VanDerWaalsContact C-N 3.28Å; A830-K832 PolarHBondContact O-N 2.82Å; A830-G833 PolarHBondContact O-N 3.12Å
831	I	95	Very high	91.8	Very high	140 Å²	140	53.6 Å²	53.6	72%	0.718	30%	0.303	S	S	*	.	H	α-helix	trans	-63.4	-36.3	175.1	-68.3	166.1	0	0	0	111	I827 Y828 H829 G833	I827-I831 HydrophobicContact CG2-CD1 3.84Å; I827-I831 HydrophobicContact CG2-CG1 4.47Å; I827-I831 VanDerWaalsContact O-CG1 3.3Å; I827-I831 WeakPolarHBondContact O-CG1 3.38Å; I827-I831 PolarHBondContact O-N 2.91Å; Y828-I831 PolarHBondContact O-N 2.97Å; H829-I831 PolarHBondContact O-N 2.92Å; I831-G833 VanDerWaalsContact C-N 3.31Å
832	K	93.1	Very high	91.2	Very high	128 Å²	128	54 Å²	54	56%	0.557	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-5.1	177	-73.5	-167.7	167.6	-168.5	0	114.6	Y828 H829 A830 T834	Y828-K832 HydrophobicContact CD1-CD 4.42Å; Y828-K832 HydrophobicContact CE1-CD 3.79Å; Y828-K832 HydrophobicContact CE2-CD 4.16Å; Y828-K832 VanDerWaalsContact CZ-NZ 3.33Å; Y828-K832 PolarHBondContact O-N 2.92Å; Y828-K832 VanDerWaalsContact O-N 3.09Å; Y828-K832 VanDerWaalsContact OH-CE 3.3Å; Y828-K832 WeakPolarHBondContact OH-CE 3.47Å; Y828-K832 PolarHBondContact OH-NZ 2.93Å; H829-K832 CarbonylContact O-C 3.6Å; H829-K832 PolarHBondContact O-N 3.36Å; H829-K832 VanDerWaalsContact O-N 3.15Å; A830-K832 VanDerWaalsContact C-N 3.28Å; A830-K832 PolarHBondContact O-N 2.82Å; K832-T834 VanDerWaalsContact C-N 3.27Å; K832-T834 PolarHBondContact O-N 3.2Å
833	G	91.8	Very high	90.8	Very high	70 Å²	70	54.5 Å²	54.5	72%	0.722	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	23.7	-174.8	0	0	0	0	0	113.9	H829 A830 I831	H829-G833 PolarHBondContact O-N 3.12Å; A830-G833 PolarHBondContact O-N 3.12Å; I831-G833 VanDerWaalsContact C-N 3.31Å
834	T	92.9	Very high	90.4	Very high	71 Å²	71	54.5 Å²	54.5	44%	0.436	31%	0.31	S	S	.	.			trans	-111.5	164.5	175.9	53.7	0	0	0	0	109.8	H829 K832	H829-T834 CarbonylContact C-O 3.59Å; H829-T834 WeakPolarHBondContact CB-O 3.13Å; H829-T834 PolarHBondContact ND1-OG1 2.88Å; H829-T834 PolarHBondContact O-N 2.97Å; H829-T834 PolarHBondContact O-OG1 3.4Å; K832-T834 VanDerWaalsContact C-N 3.27Å; K832-T834 PolarHBondContact O-N 3.2Å
835	Q	91.7	Very high	90.1	Very high	135 Å²	135	52.3 Å²	52.3	63%	0.631	30%	0.298	S	S	*	.			trans	-100.7	141.5	177.4	-70.1	-179.9	-13.4	0	0	110.2	V211 L837	V211-Q835 HydrophobicContact CG1-CB 3.93Å; V211-Q835 HydrophobicContact CG1-CG 4.34Å; Q835-L837 HydrophobicContact CB-CD2 4.3Å; Q835-L837 PolarHBondContact O-N 2.88Å
836	F	93.8	Very high	89.9	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.018	30%	0.299	C	S	.	.			trans	-82.8	107.8	174.8	177.5	-127.7	0	0	0	109.4	F143 A145 V211 V212 W822 A825 A826 H829 V838	F143-F836 WeakPolarHBondContact O-CD2 3.47Å; F143-F836 WeakPolarHBondContact O-CE2 3.24Å; A145-F836 HydrophobicContact CB-CE2 3.85Å; A145-F836 HydrophobicContact CB-CZ 3.89Å; V211-F836 WeakPolarHBondContact CA-O 3.46Å; V212-F836 HydrophobicContact CB-CD1 3.83Å; V212-F836 HydrophobicContact CB-CE1 4.23Å; V212-F836 HydrophobicContact CG1-CD1 4.33Å; V212-F836 PolarHBondContact N-O 2.82Å; W822-F836 HydrophobicContact CB-CE1 3.95Å; W822-F836 AromaticContact CD1-CE1 3.79Å; W822-F836 AromaticContact CD1-CZ 3.83Å; W822-F836 HydrophobicContact CD2-CE1 4.27Å; W822-F836 AromaticContact CG-CE1 3.75Å; W822-F836 HydrophobicContact CG-CE1 3.75Å; W822-F836 HydrophobicContact CG-CZ 4.26Å; A825-F836 HydrophobicContact CB-CD1 4.14Å; A825-F836 HydrophobicContact CB-CD2 3.67Å; A825-F836 HydrophobicContact CB-CE1 3.99Å; A825-F836 HydrophobicContact CB-CE2 3.46Å; A825-F836 VanDerWaalsContact CB-CE2 3.46Å; A825-F836 HydrophobicContact CB-CG 4.02Å; A825-F836 HydrophobicContact CB-CZ 3.65Å; A826-F836 HydrophobicContact CB-CB 4.48Å; A826-F836 HydrophobicContact CB-CD1 4.39Å; H829-F836 HydrophobicContact CB-CB 4.16Å; H829-F836 AromaticContact CD2-CD2 3.7Å; F836-V838 HydrophobicContact CD1-CG2 3.92Å; F836-V838 HydrophobicContact CE1-CG2 3.36Å; F836-V838 HydrophobicContact CE2-CG2 4.27Å; F836-V838 HydrophobicContact CZ-CG2 3.57Å
837	L	90.1	Very high	89.8	Confident	97 Å²	97	52.2 Å²	52.2	51%	0.508	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-92.8	121.6	-173.7	-58	178.3	0	0	0	110.5	A145 G210 V211 Q835	A145-L837 WeakPolarHBondContact CB-O 3.11Å; G210-L837 WeakPolarHBondContact O-CA 3.34Å; V211-L837 HydrophobicContact CG2-CD2 3.77Å; Q835-L837 HydrophobicContact CB-CD2 4.3Å; Q835-L837 PolarHBondContact O-N 2.88Å
838	V	88.5	Confident	89.6	Confident	6 Å²	6	50.4 Å²	50.4	4%	0.036	29%	0.289	C	S	.	.			trans	-126.6	107.2	175.9	-175.1	0	0	0	0	108	A145 I204 G210 V212 W822 F836 P840	A145-V838 HydrophobicContact CB-CB 4.39Å; A145-V838 HydrophobicContact CB-CG1 4.44Å; A145-V838 HydrophobicContact CB-CG2 3.87Å; I204-V838 HydrophobicContact CG2-CG1 4.13Å; G210-V838 CarbonylContact C-O 3.58Å; G210-V838 VanDerWaalsContact CA-O 3.25Å; G210-V838 WeakPolarHBondContact CA-O 3.2Å; G210-V838 PolarHBondContact O-N 2.75Å; V212-V838 HydrophobicContact CB-CG2 4.28Å; V212-V838 HydrophobicContact CG2-CB 3.99Å; V212-V838 HydrophobicContact CG2-CG2 3.64Å; W822-V838 HydrophobicContact CH2-CG1 4.12Å; W822-V838 HydrophobicContact CZ2-CG1 3.89Å; F836-V838 HydrophobicContact CD1-CG2 3.92Å; F836-V838 HydrophobicContact CE1-CG2 3.36Å; F836-V838 HydrophobicContact CE2-CG2 4.27Å; F836-V838 HydrophobicContact CZ-CG2 3.57Å; V838-P840 WeakPolarHBondContact O-CD 3.37Å
839	Q	81.5	Confident	89.4	Confident	117 Å²	117	47.8 Å²	47.8	55%	0.547	28%	0.28	S	S	.	.			trans	-72.2	124.9	-176.4	-64.9	-65	-18	0	0	110.7
840	P	78.8	Confident	89.4	Confident	33 Å²	33	46.7 Å²	46.7	21%	0.214	28%	0.275	C	S	.	.			trans	-65	-54.8	-178.6	22.5	-31.1	0	0	0	111.7	I204 A205 V838 S842 L843 G844	I204-P840 HydrophobicContact CB-CB 4.36Å; I204-P840 HydrophobicContact CG1-CB 4.17Å; A205-P840 HydrophobicContact CB-CB 4.4Å; V838-P840 WeakPolarHBondContact O-CD 3.37Å; P840-S842 PolarHBondContact O-N 3.15Å; P840-L843 CarbonylContact O-C 3.49Å; P840-L843 WeakPolarHBondContact O-CB 3.33Å; P840-L843 PolarHBondContact O-N 3.31Å; P840-G844 PolarHBondContact O-N 3.34Å
841	G	78.9	Confident	89.4	Confident	42 Å²	42	44.9 Å²	44.9	43%	0.433	26%	0.259	S	S	.	.	H	α-helix	trans	20.6	-117.8	175.5	0	0	0	0	0	116.4	L843 G844 F845	G841-L843 VanDerWaalsContact C-N 3.33Å; G841-L843 PolarHBondContact O-N 3.49Å; G841-G844 PolarHBondContact O-N 3.31Å; G841-F845 PolarHBondContact O-N 2.85Å
842	S	82.8	Confident	89.3	Confident	11 Å²	11	42.2 Å²	42.2	8%	0.077	25%	0.245	C	C	.	.	H	α-helix	trans	-69.8	-26.9	-176.9	58.5	0	0	0	0	114.4	P840 S846 E901 N902	P840-S842 PolarHBondContact O-N 3.15Å; S842-S846 WeakPolarHBondContact O-CB 3.28Å; S842-S846 PolarHBondContact O-N 3.33Å; S842-E901 VanDerWaalsContact CA-OE2 3.26Å; S842-E901 WeakPolarHBondContact CA-OE2 3.02Å; S842-E901 WeakPolarHBondContact CB-OE2 3.28Å; S842-N902 WeakPolarHBondContact CB-OD1 2.99Å; S842-N902 PolarHBondContact OG-OD1 3.47Å
843	L	86.8	Confident	89.4	Confident	14 Å²	14	37.6 Å²	37.6	7%	0.073	23%	0.225	C	C	.	.	H	α-helix	trans	-66.9	-47.8	176	-179.7	62.3	0	0	0	110.8	P150 V154 I204 W822 P840 G841 F845 S846 V847	P150-L843 HydrophobicContact CB-CD1 3.76Å; P150-L843 HydrophobicContact CB-CD2 3.83Å; P150-L843 HydrophobicContact CB-CG 4.47Å; V154-L843 HydrophobicContact CG2-CD1 4.01Å; I204-L843 HydrophobicContact CD1-CD2 4.26Å; I204-L843 HydrophobicContact CD1-CG 4.23Å; W822-L843 HydrophobicContact CZ2-CD2 4.48Å; P840-L843 CarbonylContact O-C 3.49Å; P840-L843 WeakPolarHBondContact O-CB 3.33Å; P840-L843 PolarHBondContact O-N 3.31Å; G841-L843 VanDerWaalsContact C-N 3.33Å; G841-L843 PolarHBondContact O-N 3.49Å; L843-F845 VanDerWaalsContact C-N 3.35Å; L843-F845 PolarHBondContact O-N 3.11Å; L843-S846 PolarHBondContact O-N 2.93Å; L843-V847 HydrophobicContact CD1-CG2 4.23Å; L843-V847 HydrophobicContact CG-CG2 4.48Å; L843-V847 WeakPolarHBondContact O-CB 3.05Å; L843-V847 VanDerWaalsContact O-CG2 3.23Å; L843-V847 WeakPolarHBondContact O-CG2 3.36Å; L843-V847 PolarHBondContact O-N 3Å
844	G	87.2	Confident	89.5	Confident	5 Å²	5	34.3 Å²	34.3	5%	0.052	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-41.3	177.8	0	0	0	0	0	112.2	P840 G841 T848	P840-G844 PolarHBondContact O-N 3.34Å; G841-G844 PolarHBondContact O-N 3.31Å; G844-T848 WeakPolarHBondContact O-CB 3.23Å; G844-T848 PolarHBondContact O-N 2.95Å; G844-T848 PolarHBondContact O-OG1 2.83Å
845	F	89.2	Confident	89.5	Confident	15 Å²	15	36 Å²	36	7%	0.066	20%	0.196	C	C	.	.	H	α-helix	trans	-63.5	-47	174.3	-178.7	-94.1	0	0	0	112.3	G841 L843 T848 T849 L897 E901 F909	G841-F845 PolarHBondContact O-N 2.85Å; L843-F845 VanDerWaalsContact C-N 3.35Å; L843-F845 PolarHBondContact O-N 3.11Å; F845-T848 PolarHBondContact O-N 2.99Å; F845-T849 WeakPolarHBondContact O-CB 3.45Å; F845-T849 PolarHBondContact O-N 2.81Å; F845-T849 PolarHBondContact O-OG1 3.03Å; F845-L897 HydrophobicContact CE1-CB 4.14Å; F845-L897 WeakPolarHBondContact CE1-O 3.42Å; F845-L897 HydrophobicContact CZ-CB 4.33Å; F845-E901 HydrophobicContact CB-CG 4.06Å; F845-E901 HydrophobicContact CD1-CB 3.59Å; F845-E901 HydrophobicContact CD1-CG 3.7Å; F845-E901 HydrophobicContact CD2-CB 4.48Å; F845-E901 HydrophobicContact CD2-CG 3.97Å; F845-E901 HydrophobicContact CE1-CB 3.62Å; F845-E901 HydrophobicContact CE1-CG 4.13Å; F845-E901 HydrophobicContact CE2-CB 4.49Å; F845-E901 HydrophobicContact CE2-CG 4.36Å; F845-E901 HydrophobicContact CG-CB 4.06Å; F845-E901 HydrophobicContact CG-CG 3.62Å; F845-E901 HydrophobicContact CZ-CB 4.09Å; F845-E901 HydrophobicContact CZ-CG 4.44Å; F845-F909 AromaticContact CD2-CD2 3.55Å; F845-F909 HydrophobicContact CD2-CD2 3.55Å; F845-F909 AromaticContact CD2-CE2 3.84Å; F845-F909 HydrophobicContact CD2-CE2 3.84Å; F845-F909 AromaticContact CE2-CD2 3.79Å; F845-F909 HydrophobicContact CE2-CD2 3.79Å; F845-F909 AromaticContact CE2-CE2 3.62Å; F845-F909 HydrophobicContact CE2-CE2 3.62Å; F845-F909 HydrophobicContact CE2-CZ 4.48Å
846	S	91	Very high	89.7	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.007	18%	0.183	C	C	.	.	H	α-helix	trans	-60.1	-47.8	178	173.4	0	0	0	0	111.7	V154 S842 L843 T848 T849 Y850 Y894	V154-S846 WeakPolarHBondContact CG1-OG 3.42Å; S842-S846 WeakPolarHBondContact O-CB 3.28Å; S842-S846 PolarHBondContact O-N 3.33Å; L843-S846 PolarHBondContact O-N 2.93Å; S846-T848 PolarHBondContact O-N 2.88Å; S846-T849 PolarHBondContact O-N 3.27Å; S846-Y850 WeakPolarHBondContact O-CB 3.42Å; S846-Y850 PolarHBondContact O-N 2.77Å; S846-Y894 PolarHBondContact OG-OH 2.77Å
847	V	92.7	Very high	89.7	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.1	-46.2	177	169.4	0	0	0	0	111.5	V154 Y197 M200 L843 Y850 C851	V154-V847 HydrophobicContact CG1-CG2 4.18Å; V154-V847 HydrophobicContact CG2-CG2 3.62Å; Y197-V847 WeakPolarHBondContact O-CG1 3.44Å; M200-V847 HydrophobicContact CE-CG2 4.02Å; M200-V847 HydrophobicContact SD-CG2 4.24Å; L843-V847 HydrophobicContact CD1-CG2 4.23Å; L843-V847 HydrophobicContact CG-CG2 4.48Å; L843-V847 WeakPolarHBondContact O-CB 3.05Å; L843-V847 VanDerWaalsContact O-CG2 3.23Å; L843-V847 WeakPolarHBondContact O-CG2 3.36Å; L843-V847 PolarHBondContact O-N 3Å; V847-Y850 WeakPolarHBondContact O-CB 3.38Å; V847-Y850 PolarHBondContact O-N 2.93Å; V847-C851 PolarHBondContact O-N 2.84Å; V847-C851 PolarHBondContact O-SG 3.17Å; V847-C851 VanDerWaalsContact O-SG 3.36Å
848	T	90.9	Very high	89.7	Confident	31 Å²	31	28.2 Å²	28.2	19%	0.19	16%	0.162	C	C	.	.	H	α-helix	trans	-63.4	-46.2	-179.9	-57.3	0	0	0	0	111.3	Y201 G844 F845 S846 Y850 C851 I852 F909	Y201-T848 WeakPolarHBondContact CD2-OG1 3.29Å; Y201-T848 WeakPolarHBondContact CE2-OG1 3.22Å; G844-T848 WeakPolarHBondContact O-CB 3.23Å; G844-T848 PolarHBondContact O-N 2.95Å; G844-T848 PolarHBondContact O-OG1 2.83Å; F845-T848 PolarHBondContact O-N 2.99Å; S846-T848 PolarHBondContact O-N 2.88Å; T848-Y850 VanDerWaalsContact C-N 3.32Å; T848-Y850 PolarHBondContact O-N 2.88Å; T848-C851 PolarHBondContact O-N 2.96Å; T848-I852 HydrophobicContact CG2-CD1 4.23Å; T848-I852 WeakPolarHBondContact O-CG1 3.43Å; T848-I852 PolarHBondContact O-N 2.83Å; T848-I852 VanDerWaalsContact O-N 3.09Å; T848-F909 HydrophobicContact CG2-CD2 4.29Å; T848-F909 HydrophobicContact CG2-CE2 4.3Å
849	T	92.5	Very high	89.8	Confident	6 Å²	6	34.7 Å²	34.7	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-60.7	-44.1	177.3	-56.2	0	0	0	0	110.9	F845 S846 I852 F853 Y894 L897	F845-T849 WeakPolarHBondContact O-CB 3.45Å; F845-T849 PolarHBondContact O-N 2.81Å; F845-T849 PolarHBondContact O-OG1 3.03Å; S846-T849 PolarHBondContact O-N 3.27Å; T849-I852 PolarHBondContact O-N 2.87Å; T849-F853 HydrophobicContact CG2-CD2 4.29Å; T849-F853 HydrophobicContact CG2-CE2 3.91Å; T849-F853 HydrophobicContact CG2-CZ 4.2Å; T849-F853 PolarHBondContact O-N 2.87Å; T849-F853 VanDerWaalsContact O-N 3.14Å; T849-Y894 HydrophobicContact CG2-CD2 4.03Å; T849-L897 HydrophobicContact CG2-CB 4.44Å; T849-L897 HydrophobicContact CG2-CD1 4.01Å
850	Y	94.7	Very high	90.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58.1	-50.4	174	167.3	-102.2	0	0	0	111.7	A157 A158 L161 F162 Y197 N810 S846 V847 T848 I852 F853 A854	A157-Y850 HydrophobicContact CB-CE1 4.35Å; A157-Y850 HydrophobicContact CB-CE2 3.97Å; A157-Y850 WeakPolarHBondContact O-CE2 3.47Å; A158-Y850 HydrophobicContact CB-CD2 3.83Å; A158-Y850 HydrophobicContact CB-CE2 4.27Å; L161-Y850 HydrophobicContact CD2-CE2 4.35Å; F162-Y850 HydrophobicContact CE2-CD2 4.23Å; F162-Y850 HydrophobicContact CZ-CD2 4.05Å; F162-Y850 HydrophobicContact CZ-CE2 4.25Å; Y197-Y850 AromaticContact CD1-CD1 3.92Å; Y197-Y850 HydrophobicContact CD1-CD1 3.92Å; Y197-Y850 AromaticContact CD1-CE1 3.9Å; Y197-Y850 HydrophobicContact CD1-CE1 3.9Å; Y197-Y850 HydrophobicContact CD2-CD1 4.22Å; Y197-Y850 AromaticContact CD2-CE1 3.46Å; Y197-Y850 HydrophobicContact CD2-CE1 3.46Å; Y197-Y850 VanDerWaalsContact CD2-CE1 3.46Å; Y197-Y850 HydrophobicContact CE1-CE1 4.29Å; Y197-Y850 AromaticContact CE2-CE1 3.91Å; Y197-Y850 HydrophobicContact CE2-CE1 3.91Å; Y197-Y850 AromaticContact CG-CD1 3.78Å; Y197-Y850 HydrophobicContact CG-CD1 3.78Å; Y197-Y850 AromaticContact CG-CE1 3.51Å; Y197-Y850 HydrophobicContact CG-CE1 3.51Å; N810-Y850 PolarHBondContact ND2-OH 3.38Å; S846-Y850 WeakPolarHBondContact O-CB 3.42Å; S846-Y850 PolarHBondContact O-N 2.77Å; V847-Y850 WeakPolarHBondContact O-CB 3.38Å; V847-Y850 PolarHBondContact O-N 2.93Å; T848-Y850 VanDerWaalsContact C-N 3.32Å; T848-Y850 PolarHBondContact O-N 2.88Å; Y850-I852 VanDerWaalsContact C-N 3.32Å; Y850-I852 PolarHBondContact O-N 3.37Å; Y850-F853 PolarHBondContact O-N 3.23Å; Y850-A854 HydrophobicContact CE1-CB 4.22Å; Y850-A854 HydrophobicContact CE2-CB 4.15Å; Y850-A854 WeakPolarHBondContact O-CB 3.09Å; Y850-A854 PolarHBondContact O-N 3.04Å
851	C	93	Very high	90.9	Very high	17 Å²	17	29.1 Å²	29.1	12%	0.115	16%	0.162	C	C	.	.	H	α-helix	trans	-57.8	-42.3	-179.1	-74.3	0	0	0	0	112.6	V847 T848 A854 L855	V847-C851 PolarHBondContact O-N 2.84Å; V847-C851 PolarHBondContact O-SG 3.17Å; V847-C851 VanDerWaalsContact O-SG 3.36Å; T848-C851 PolarHBondContact O-N 2.96Å; C851-A854 PolarHBondContact O-N 2.8Å; C851-L855 WeakPolarHBondContact O-CG 3.26Å; C851-L855 PolarHBondContact O-N 3.13Å
852	I	93.3	Very high	91.3	Very high	84 Å²	84	29.7 Å²	29.7	43%	0.431	15%	0.154	S	C	.	.	H	α-helix	trans	-61.5	-50.4	177.2	-65.7	167.1	0	0	0	110.3	T848 T849 Y850 A854 L855 V856	T848-I852 HydrophobicContact CG2-CD1 4.23Å; T848-I852 WeakPolarHBondContact O-CG1 3.43Å; T848-I852 PolarHBondContact O-N 2.83Å; T848-I852 VanDerWaalsContact O-N 3.09Å; T849-I852 PolarHBondContact O-N 2.87Å; Y850-I852 VanDerWaalsContact C-N 3.32Å; Y850-I852 PolarHBondContact O-N 3.37Å; I852-A854 VanDerWaalsContact C-N 3.33Å; I852-A854 PolarHBondContact O-N 3.41Å; I852-L855 PolarHBondContact O-N 2.89Å; I852-V856 WeakPolarHBondContact O-CG2 3.24Å; I852-V856 PolarHBondContact O-N 3.06Å
853	F	95.8	Very high	91.7	Very high	31 Å²	31	34.6 Å²	34.6	14%	0.136	17%	0.172	C	C	.	.	H	α-helix	trans	-70.9	-30.1	-179.5	-67.9	-7.3	0	0	0	112.9	F162 T849 Y850 V856 A857 L890 V893 L897	F162-F853 HydrophobicContact CE1-CB 4.1Å; F162-F853 HydrophobicContact CE2-CB 4.18Å; F162-F853 HydrophobicContact CZ-CB 3.51Å; T849-F853 HydrophobicContact CG2-CD2 4.29Å; T849-F853 HydrophobicContact CG2-CE2 3.91Å; T849-F853 HydrophobicContact CG2-CZ 4.2Å; T849-F853 PolarHBondContact O-N 2.87Å; T849-F853 VanDerWaalsContact O-N 3.14Å; Y850-F853 PolarHBondContact O-N 3.23Å; F853-V856 PolarHBondContact O-N 3.27Å; F853-A857 WeakPolarHBondContact O-CB 3.49Å; F853-A857 PolarHBondContact O-N 3.31Å; F853-L890 HydrophobicContact CD1-CD2 4.17Å; F853-L890 HydrophobicContact CD2-CB 4.49Å; F853-L890 HydrophobicContact CD2-CD2 4.38Å; F853-L890 HydrophobicContact CE1-CD2 4.48Å; F853-L890 HydrophobicContact CG-CD2 4.14Å; F853-V893 HydrophobicContact CE2-CB 4.19Å; F853-V893 HydrophobicContact CE2-CG1 3.84Å; F853-V893 HydrophobicContact CZ-CB 4.47Å; F853-V893 HydrophobicContact CZ-CG1 3.71Å; F853-L897 HydrophobicContact CE2-CD1 4.42Å; F853-L897 HydrophobicContact CZ-CD1 4.01Å
854	A	93.9	Very high	91.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.7	-41.4	175.3	0	0	0	0	0	111.4	L161 L194 Y850 C851 I852 V856 A857 I858	L161-A854 HydrophobicContact CD2-CB 3.43Å; L161-A854 VanDerWaalsContact CD2-CB 3.43Å; L194-A854 HydrophobicContact CD2-CB 3.44Å; L194-A854 VanDerWaalsContact CD2-CB 3.44Å; Y850-A854 HydrophobicContact CE1-CB 4.22Å; Y850-A854 HydrophobicContact CE2-CB 4.15Å; Y850-A854 WeakPolarHBondContact O-CB 3.09Å; Y850-A854 PolarHBondContact O-N 3.04Å; C851-A854 PolarHBondContact O-N 2.8Å; I852-A854 VanDerWaalsContact C-N 3.33Å; I852-A854 PolarHBondContact O-N 3.41Å; A854-V856 PolarHBondContact O-N 2.97Å; A854-A857 PolarHBondContact O-N 3.19Å; A854-I858 WeakPolarHBondContact O-CB 3.31Å; A854-I858 WeakPolarHBondContact O-CD1 3.46Å; A854-I858 WeakPolarHBondContact O-CG1 3.47Å; A854-I858 PolarHBondContact O-N 3.15Å
855	L	93.1	Very high	91.9	Very high	106 Å²	106	38.8 Å²	38.8	56%	0.555	19%	0.185	S	C	*	.	H	α-helix	trans	-60.9	-43.6	172.3	-74.7	170.7	0	0	0	111.9	L194 C851 I852 I858 F859	L194-L855 HydrophobicContact CD1-CD2 3.56Å; L194-L855 HydrophobicContact CD1-CG 4.3Å; C851-L855 WeakPolarHBondContact O-CG 3.26Å; C851-L855 PolarHBondContact O-N 3.13Å; I852-L855 PolarHBondContact O-N 2.89Å; L855-I858 PolarHBondContact O-N 2.63Å; L855-F859 VanDerWaalsContact O-CB 3.3Å; L855-F859 WeakPolarHBondContact O-CB 3.36Å; L855-F859 PolarHBondContact O-N 2.9Å
856	V	94.5	Very high	91.7	Very high	58 Å²	58	44 Å²	44	35%	0.352	21%	0.208	S	C	.	.	H	α-helix	trans	-62.6	-43	176	175.7	0	0	0	0	111.1	I852 F853 A854 F859 L860 F886 L890	I852-V856 WeakPolarHBondContact O-CG2 3.24Å; I852-V856 PolarHBondContact O-N 3.06Å; F853-V856 PolarHBondContact O-N 3.27Å; A854-V856 PolarHBondContact O-N 2.97Å; V856-F859 PolarHBondContact O-N 2.88Å; V856-L860 WeakPolarHBondContact O-CB 3.47Å; V856-L860 PolarHBondContact O-N 3.42Å; V856-F886 HydrophobicContact CG1-CE1 3.81Å; V856-F886 HydrophobicContact CG1-CZ 3.83Å; V856-L890 HydrophobicContact CG1-CD1 4.13Å
857	A	93.7	Very high	91	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-65.9	-45.1	178.4	0	0	0	0	0	112.2	L161 F162 F853 A854 F859 L860 I861 L887	L161-A857 HydrophobicContact CD2-CB 4.37Å; L161-A857 HydrophobicContact CG-CB 4.28Å; F162-A857 HydrophobicContact CD1-CB 3.88Å; F162-A857 HydrophobicContact CE1-CB 3.77Å; F853-A857 WeakPolarHBondContact O-CB 3.49Å; F853-A857 PolarHBondContact O-N 3.31Å; A854-A857 PolarHBondContact O-N 3.19Å; A857-F859 VanDerWaalsContact C-N 3.34Å; A857-F859 PolarHBondContact O-N 2.8Å; A857-L860 WeakPolarHBondContact O-CB 3.14Å; A857-L860 PolarHBondContact O-N 3.19Å; A857-I861 VanDerWaalsContact O-CG1 3.29Å; A857-I861 WeakPolarHBondContact O-CG1 3.45Å; A857-I861 PolarHBondContact O-N 2.81Å; A857-L887 HydrophobicContact CB-CD2 3.75Å
858	I	90.7	Very high	90.2	Very high	16 Å²	16	58.3 Å²	58.3	8%	0.082	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-42.6	176.3	-71	160.5	0	0	0	110.4	S190 L194 A854 L855 L860 I861 L862	S190-I858 WeakPolarHBondContact OG-CD1 3.44Å; L194-I858 HydrophobicContact CD1-CD1 3.53Å; L194-I858 HydrophobicContact CD2-CD1 3.94Å; L194-I858 HydrophobicContact CG-CD1 3.72Å; A854-I858 WeakPolarHBondContact O-CB 3.31Å; A854-I858 WeakPolarHBondContact O-CD1 3.46Å; A854-I858 WeakPolarHBondContact O-CG1 3.47Å; A854-I858 PolarHBondContact O-N 3.15Å; L855-I858 PolarHBondContact O-N 2.63Å; I858-L860 VanDerWaalsContact C-N 3.32Å; I858-L860 PolarHBondContact O-N 3.44Å; I858-I861 PolarHBondContact O-N 2.78Å; I858-L862 HydrophobicContact CG2-CD1 4.06Å; I858-L862 HydrophobicContact CG2-CG 4.45Å; I858-L862 WeakPolarHBondContact O-CB 3.3Å; I858-L862 WeakPolarHBondContact O-CG 3.32Å; I858-L862 PolarHBondContact O-N 2.73Å
859	F	91.3	Very high	89.8	Confident	142 Å²	142	58 Å²	58	62%	0.623	28%	0.28	S	S	*	.	H	α-helix	trans	-59.8	-42.1	173.8	179.9	-96.3	0	0	0	111.8	L855 V856 A857 L862 Y863	L855-F859 VanDerWaalsContact O-CB 3.3Å; L855-F859 WeakPolarHBondContact O-CB 3.36Å; L855-F859 PolarHBondContact O-N 2.9Å; V856-F859 PolarHBondContact O-N 2.88Å; A857-F859 VanDerWaalsContact C-N 3.34Å; A857-F859 PolarHBondContact O-N 2.8Å; F859-L862 PolarHBondContact O-N 2.82Å; F859-Y863 VanDerWaalsContact O-CB 3.23Å; F859-Y863 WeakPolarHBondContact O-CB 3.38Å; F859-Y863 PolarHBondContact O-N 2.89Å
860	L	92.5	Very high	89.1	Confident	29 Å²	29	58.2 Å²	58.2	15%	0.152	28%	0.283	C	S	.	.	H	α-helix	trans	-61.5	-46	175.8	-179.5	71.1	0	0	0	111.9	V856 A857 I858 L862 Y863 R864 F886 L887	V856-L860 WeakPolarHBondContact O-CB 3.47Å; V856-L860 PolarHBondContact O-N 3.42Å; A857-L860 WeakPolarHBondContact O-CB 3.14Å; A857-L860 PolarHBondContact O-N 3.19Å; I858-L860 VanDerWaalsContact C-N 3.32Å; I858-L860 PolarHBondContact O-N 3.44Å; L860-L862 VanDerWaalsContact C-N 3.32Å; L860-L862 PolarHBondContact O-N 2.86Å; L860-Y863 PolarHBondContact O-N 3.01Å; L860-R864 VanDerWaalsContact O-CG 3.29Å; L860-R864 WeakPolarHBondContact O-CG 3.47Å; L860-R864 PolarHBondContact O-N 2.63Å; L860-F886 HydrophobicContact CD2-CD1 3.74Å; L860-F886 HydrophobicContact CD2-CE1 4.3Å; L860-L887 HydrophobicContact CD2-CD1 4.5Å; L860-L887 HydrophobicContact CD2-CD2 4Å; L860-L887 HydrophobicContact CD2-CG 3.99Å
861	I	89.9	Confident	88.6	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-58.9	-46.7	177.4	-66.3	163.6	0	0	0	109.9	I165 I803 A857 I858 R864 E872	I165-I861 HydrophobicContact CG2-CD1 3.95Å; I165-I861 HydrophobicContact CG2-CG1 4.18Å; I803-I861 HydrophobicContact CD1-CG2 4.33Å; A857-I861 VanDerWaalsContact O-CG1 3.29Å; A857-I861 WeakPolarHBondContact O-CG1 3.45Å; A857-I861 PolarHBondContact O-N 2.81Å; I858-I861 PolarHBondContact O-N 2.78Å; I861-R864 PolarHBondContact O-N 3.17Å; I861-E872 HydrophobicContact CG2-CB 4.1Å; I861-E872 HydrophobicContact CG2-CG 3.93Å
862	L	88.2	Confident	88.3	Confident	53 Å²	53	57.5 Å²	57.5	28%	0.277	28%	0.278	S	S	.	.	H	α-helix	trans	-66.5	-38.1	177.5	-68.6	176.2	0	0	0	112.6	F186 F187 I858 F859 L860 R864 R865	F186-L862 HydrophobicContact CE1-CD2 4.12Å; F187-L862 HydrophobicContact CE1-CD1 4.05Å; F187-L862 HydrophobicContact CE1-CD2 4.11Å; F187-L862 HydrophobicContact CZ-CD2 4.06Å; I858-L862 HydrophobicContact CG2-CD1 4.06Å; I858-L862 HydrophobicContact CG2-CG 4.45Å; I858-L862 WeakPolarHBondContact O-CB 3.3Å; I858-L862 WeakPolarHBondContact O-CG 3.32Å; I858-L862 PolarHBondContact O-N 2.73Å; F859-L862 PolarHBondContact O-N 2.82Å; L860-L862 VanDerWaalsContact C-N 3.32Å; L860-L862 PolarHBondContact O-N 2.86Å; L862-R864 VanDerWaalsContact C-N 3.32Å; L862-R864 PolarHBondContact O-N 3.12Å; L862-R865 WeakPolarHBondContact O-CB 3.49Å; L862-R865 PolarHBondContact O-N 3.22Å
863	Y	89.9	Confident	88.2	Confident	115 Å²	115	53.5 Å²	53.5	45%	0.451	26%	0.258	S	S	.	.	H	α-helix	trans	-63.6	-38.5	177.1	178.7	-100.5	0	0	0	111.8	F859 L860 R865 K866 I869	F859-Y863 VanDerWaalsContact O-CB 3.23Å; F859-Y863 WeakPolarHBondContact O-CB 3.38Å; F859-Y863 PolarHBondContact O-N 2.89Å; L860-Y863 PolarHBondContact O-N 3.01Å; Y863-R865 PolarHBondContact O-N 3.33Å; Y863-K866 HydrophobicContact CE2-CD 4.42Å; Y863-K866 VanDerWaalsContact O-CB 3.22Å; Y863-K866 WeakPolarHBondContact O-CB 3.41Å; Y863-K866 PolarHBondContact O-N 3.09Å; Y863-I869 HydrophobicContact CE1-CD1 4.46Å
864	R	91.8	Very high	88	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-20.2	176.6	-73.1	175	61.3	85.2	9.3	113.7	L860 I861 L862 K866 I869 G871 E872 G874 A879 S883	L860-R864 VanDerWaalsContact O-CG 3.29Å; L860-R864 WeakPolarHBondContact O-CG 3.47Å; L860-R864 PolarHBondContact O-N 2.63Å; I861-R864 PolarHBondContact O-N 3.17Å; L862-R864 VanDerWaalsContact C-N 3.32Å; L862-R864 PolarHBondContact O-N 3.12Å; R864-K866 PolarHBondContact O-N 2.91Å; R864-I869 HydrophobicContact CB-CD1 4.43Å; R864-I869 HydrophobicContact CB-CG2 4.16Å; R864-I869 HydrophobicContact CG-CD1 4.03Å; R864-I869 HydrophobicContact CG-CG2 4.39Å; R864-I869 WeakPolarHBondContact O-CB 3.05Å; R864-G871 PolarHBondContact O-N 2.62Å; R864-E872 PolarHBondContact NE-O 2.91Å; R864-G874 PolarHBondContact NH2-O 2.83Å; R864-A879 PolarHBondContact NH1-O 2.92Å; R864-S883 PolarHBondContact NH1-OG 3.05Å
865	R	86.5	Confident	87.7	Confident	106 Å²	106	52.5 Å²	52.5	40%	0.4	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-19	172.8	-162	177.8	178.1	-147.4	-14.4	113.7	L183 L862 Y863 E872	L183-R865 VanDerWaalsContact CD1-NH1 3.28Å; L862-R865 WeakPolarHBondContact O-CB 3.49Å; L862-R865 PolarHBondContact O-N 3.22Å; Y863-R865 PolarHBondContact O-N 3.33Å; R865-E872 WeakPolarHBondContact CD-OE1 3.37Å; R865-E872 WeakPolarHBondContact CG-OE1 3.26Å; R865-E872 IonicContact NE-OE1 3.57Å
866	K	85.5	Confident	87.6	Confident	124 Å²	124	50.7 Å²	50.7	54%	0.539	25%	0.251	S	S	.	.	S	Bend	trans	-56.4	146.5	178.4	-171.1	175.3	-179.8	-179.7	0	111	Y863 R864 S868 I869 G870	Y863-K866 HydrophobicContact CE2-CD 4.42Å; Y863-K866 VanDerWaalsContact O-CB 3.22Å; Y863-K866 WeakPolarHBondContact O-CB 3.41Å; Y863-K866 PolarHBondContact O-N 3.09Å; R864-K866 PolarHBondContact O-N 2.91Å; K866-S868 PolarHBondContact O-N 2.73Å; K866-I869 PolarHBondContact O-N 2.77Å; K866-G870 PolarHBondContact O-N 3.31Å
867	K	76.2	Confident	87.2	Confident	203 Å²	203	53.7 Å²	53.7	88%	0.883	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	-26.7	-178.8	-73.5	-173.1	177.9	-177.7	0	114.8	I869	K867-I869 VanDerWaalsContact C-N 3.35Å; K867-I869 PolarHBondContact O-N 2.9Å
868	S	76.9	Confident	87.1	Confident	99 Å²	99	58.7 Å²	58.7	69%	0.692	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-29.6	179.1	-173.4	0	0	0	0	114.4	K866	K866-S868 PolarHBondContact O-N 2.73Å
869	I	81.7	Confident	87	Confident	25 Å²	25	59 Å²	59	13%	0.128	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-33.6	-179.3	-65.4	170	0	0	0	109.4	Y863 R864 K866 K867 G871 P876 A879	Y863-I869 HydrophobicContact CE1-CD1 4.46Å; R864-I869 HydrophobicContact CB-CD1 4.43Å; R864-I869 HydrophobicContact CB-CG2 4.16Å; R864-I869 HydrophobicContact CG-CD1 4.03Å; R864-I869 HydrophobicContact CG-CG2 4.39Å; R864-I869 WeakPolarHBondContact O-CB 3.05Å; K866-I869 PolarHBondContact O-N 2.77Å; K867-I869 VanDerWaalsContact C-N 3.35Å; K867-I869 PolarHBondContact O-N 2.9Å; I869-G871 PolarHBondContact O-N 2.89Å; I869-P876 WeakPolarHBondContact O-CD 3.38Å; I869-A879 HydrophobicContact CD1-CB 4.42Å; I869-A879 HydrophobicContact CG1-CB 4.21Å
870	G	78.9	Confident	87	Confident	11 Å²	11	52.6 Å²	52.6	11%	0.113	27%	0.266	C	S	.	.			trans	89	-9.4	166.4	0	0	0	0	0	114.6	R179 K866	R179-G870 PolarHBondContact NE-O 2.87Å; R179-G870 PolarHBondContact NH2-O 3.36Å; K866-G870 PolarHBondContact O-N 3.31Å
871	G	83.5	Confident	87	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.283	C	S	.	.	S	Bend	trans	-176.6	161.4	176.3	0	0	0	0	0	113.3	R864 I869	R864-G871 PolarHBondContact O-N 2.62Å; I869-G871 PolarHBondContact O-N 2.89Å
872	E	87.3	Confident	87.2	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	31%	0.309	C	S	.	.	S	Bend	trans	-62.9	-45.9	-179.4	-68.6	83.3	164.8	0	0	110.5	R178 R179 I180 I803 I861 R864 R865	R178-E872 PolarHBondContact O-N 3.41Å; R179-E872 VanDerWaalsContact CA-OE2 3.27Å; R179-E872 WeakPolarHBondContact CA-OE2 3.46Å; I180-E872 HydrophobicContact CD1-CG 4.23Å; I180-E872 HydrophobicContact CG1-CG 4.26Å; I803-E872 HydrophobicContact CD1-CB 4.03Å; I861-E872 HydrophobicContact CG2-CB 4.1Å; I861-E872 HydrophobicContact CG2-CG 3.93Å; R864-E872 PolarHBondContact NE-O 2.91Å; R865-E872 WeakPolarHBondContact CD-OE1 3.37Å; R865-E872 WeakPolarHBondContact CG-OE1 3.26Å; R865-E872 IonicContact NE-OE1 3.57Å
873	L	90.4	Very high	87.5	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	149.9	175.9	-48.7	176.4	0	0	0	111.8	I165 C168 I169 V172 V177 R178 A793 A799 S802 I803	I165-L873 HydrophobicContact CG2-CD2 4.49Å; C168-L873 HydrophobicContact CB-CD1 4.13Å; C168-L873 HydrophobicContact CB-CD2 3.95Å; I169-L873 HydrophobicContact CG1-CD2 3.71Å; V172-L873 HydrophobicContact CG2-CB 3.89Å; V177-L873 WeakPolarHBondContact CA-O 3.03Å; R178-L873 HydrophobicContact CB-CB 4.07Å; R178-L873 HydrophobicContact CB-CD1 4.35Å; R178-L873 HydrophobicContact CG-CB 4.38Å; R178-L873 PolarHBondContact N-O 2.88Å; R178-L873 PolarHBondContact O-N 3.5Å; A793-L873 HydrophobicContact CB-CD1 4.16Å; A799-L873 HydrophobicContact CB-CD1 3.81Å; A799-L873 HydrophobicContact CB-CG 4.07Å; S802-L873 WeakPolarHBondContact OG-CD1 3.46Å; I803-L873 HydrophobicContact CD1-CD1 4.46Å; I803-L873 HydrophobicContact CD1-CD2 4.14Å; I803-L873 HydrophobicContact CD1-CG 4.18Å; I803-L873 HydrophobicContact CG1-CD1 4.41Å; I803-L873 HydrophobicContact CG1-CD2 4.38Å
874	G	90.6	Very high	87.7	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	76.7	-137.3	-179.9	0	0	0	0	0	113.9	R864	R864-G874 PolarHBondContact NH2-O 2.83Å
875	G	88.6	Confident	87.9	Confident	10 Å²	10	58.8 Å²	58.8	10%	0.103	31%	0.305	C	S	.	.			trans	84.2	-164.4	179.5	0	0	0	0	0	114.4	Q176 K877	Q176-G875 PolarHBondContact O-N 3.03Å; Q176-G875 VanDerWaalsContact O-N 3.08Å; G875-K877 PolarHBondContact O-N 2.81Å
876	P	89.8	Confident	88.4	Confident	67 Å²	67	57.6 Å²	57.6	44%	0.435	30%	0.302	S	S	.	.	S	Bend	trans	-56.5	136.9	-174.2	-24.9	33.2	0	0	0	112.5	I869 V878 A879 K880	I869-P876 WeakPolarHBondContact O-CD 3.38Å; P876-V878 VanDerWaalsContact C-N 3.29Å; P876-V878 PolarHBondContact O-N 3.33Å; P876-V878 VanDerWaalsContact O-N 3.14Å; P876-A879 HydrophobicContact CB-CB 4.33Å; P876-A879 PolarHBondContact O-N 2.82Å; P876-K880 WeakPolarHBondContact O-CB 3.19Å; P876-K880 PolarHBondContact O-N 3.33Å
877	K	87.8	Confident	88.9	Confident	122 Å²	122	51.7 Å²	51.7	53%	0.53	28%	0.277	S	S	.	.	H	α-helix	trans	-48.4	-48	-174.3	-63.5	-167.8	-177.6	-149.5	0	113.1	D174 G875 K880 Y881	D174-K877 WeakPolarHBondContact OD2-CE 3.45Å; D174-K877 IonicContact OD2-NZ 3.72Å; D174-K877 PolarHBondContact OD2-NZ 2.91Å; G875-K877 PolarHBondContact O-N 2.81Å; K877-K880 WeakPolarHBondContact O-CB 3.4Å; K877-K880 PolarHBondContact O-N 3.15Å; K877-Y881 WeakPolarHBondContact O-CD2 3.46Å; K877-Y881 PolarHBondContact O-N 3.25Å
878	V	90	Very high	89.9	Confident	104 Å²	104	46 Å²	46	63%	0.63	25%	0.253	S	S	*	.	H	α-helix	trans	-64	-49.1	-179.2	178.6	0	0	0	0	111.2	P876 K880 Y881 I882	P876-V878 VanDerWaalsContact C-N 3.29Å; P876-V878 PolarHBondContact O-N 3.33Å; P876-V878 VanDerWaalsContact O-N 3.14Å; V878-K880 VanDerWaalsContact C-N 3.3Å; V878-K880 PolarHBondContact O-N 2.92Å; V878-Y881 PolarHBondContact O-N 3.07Å; V878-I882 HydrophobicContact CG1-CD1 3.56Å; V878-I882 HydrophobicContact CG1-CG1 4.31Å; V878-I882 WeakPolarHBondContact O-CB 3.41Å; V878-I882 VanDerWaalsContact O-CG1 3.24Å; V878-I882 WeakPolarHBondContact O-CG1 3.35Å; V878-I882 PolarHBondContact O-N 2.66Å
879	A	89.4	Confident	90.9	Very high	22 Å²	22	47 Å²	47	18%	0.182	25%	0.245	C	C	.	.	H	α-helix	trans	-63.7	-37.1	179.3	0	0	0	0	0	112.2	R864 I869 P876 S883	R864-A879 PolarHBondContact NH1-O 2.92Å; I869-A879 HydrophobicContact CD1-CB 4.42Å; I869-A879 HydrophobicContact CG1-CB 4.21Å; P876-A879 HydrophobicContact CB-CB 4.33Å; P876-A879 PolarHBondContact O-N 2.82Å; A879-S883 WeakPolarHBondContact O-CB 3.35Å; A879-S883 PolarHBondContact O-N 2.55Å; A879-S883 PolarHBondContact O-OG 3.32Å; A879-S883 VanDerWaalsContact O-OG 3.13Å
880	K	90.9	Very high	91.6	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.035	24%	0.241	C	C	.	.	H	α-helix	trans	-58.5	-54.6	175.1	176.7	178.5	171.2	-177.6	0	111.5	I169 V170 V172 D174 P876 K877 V878 A884	I169-K880 HydrophobicContact CG2-CB 4.34Å; I169-K880 HydrophobicContact CG2-CG 3.88Å; I169-K880 WeakPolarHBondContact CG2-O 3.23Å; I169-K880 WeakPolarHBondContact O-CE 3.45Å; I169-K880 VanDerWaalsContact O-CG 3.32Å; I169-K880 WeakPolarHBondContact O-CG 3.3Å; V170-K880 WeakPolarHBondContact O-CE 3.22Å; V170-K880 PolarHBondContact O-NZ 2.95Å; V172-K880 PolarHBondContact O-NZ 3.43Å; D174-K880 IonicContact OD1-NZ 3.63Å; D174-K880 PolarHBondContact OD1-NZ 3.24Å; P876-K880 WeakPolarHBondContact O-CB 3.19Å; P876-K880 PolarHBondContact O-N 3.33Å; K877-K880 WeakPolarHBondContact O-CB 3.4Å; K877-K880 PolarHBondContact O-N 3.15Å; V878-K880 VanDerWaalsContact C-N 3.3Å; V878-K880 PolarHBondContact O-N 2.92Å; K880-A884 WeakPolarHBondContact O-CB 3.42Å; K880-A884 PolarHBondContact O-N 3.1Å; K880-A884 VanDerWaalsContact O-N 3.09Å
881	Y	93	Very high	92.4	Very high	131 Å²	131	48.3 Å²	48.3	51%	0.514	25%	0.245	S	C	.	.	H	α-helix	trans	-68.6	-37.4	179.2	-71.9	-64.7	0	0	0	113.3	V170 K877 V878 S885	V170-Y881 HydrophobicContact CG1-CE1 3.93Å; V170-Y881 HydrophobicContact CG2-CD1 4.42Å; K877-Y881 WeakPolarHBondContact O-CD2 3.46Å; K877-Y881 PolarHBondContact O-N 3.25Å; V878-Y881 PolarHBondContact O-N 3.07Å; Y881-S885 WeakPolarHBondContact O-CB 3.28Å; Y881-S885 PolarHBondContact O-N 2.84Å
882	I	94.2	Very high	93	Very high	109 Å²	109	52.6 Å²	52.6	56%	0.559	26%	0.264	S	S	*	.	H	α-helix	trans	-62.4	-50.5	177.5	-71.1	172.3	0	0	0	110.8	V878 S885 F886	V878-I882 HydrophobicContact CG1-CD1 3.56Å; V878-I882 HydrophobicContact CG1-CG1 4.31Å; V878-I882 WeakPolarHBondContact O-CB 3.41Å; V878-I882 VanDerWaalsContact O-CG1 3.24Å; V878-I882 WeakPolarHBondContact O-CG1 3.35Å; V878-I882 PolarHBondContact O-N 2.66Å; I882-S885 PolarHBondContact O-N 3.06Å; I882-F886 WeakPolarHBondContact O-CB 3.45Å; I882-F886 PolarHBondContact O-N 2.71Å
883	S	93.8	Very high	93.4	Very high	10 Å²	10	54 Å²	54	7%	0.07	27%	0.272	C	S	.	.	H	α-helix	trans	-66	-40.4	-179.2	-60.5	0	0	0	0	112.4	R864 A879 F886 L887	R864-S883 PolarHBondContact NH1-OG 3.05Å; A879-S883 WeakPolarHBondContact O-CB 3.35Å; A879-S883 PolarHBondContact O-N 2.55Å; A879-S883 PolarHBondContact O-OG 3.32Å; A879-S883 VanDerWaalsContact O-OG 3.13Å; S883-F886 PolarHBondContact O-N 2.72Å; S883-L887 WeakPolarHBondContact O-CG 3.49Å; S883-L887 PolarHBondContact O-N 3.05Å
884	A	95	Very high	93.7	Very high	3 Å²	3	54 Å²	54	3%	0.025	27%	0.272	C	S	.	.	H	α-helix	trans	-63.7	-49.4	176.2	0	0	0	0	0	111.3	G166 I169 V170 K880 F886 L887 F888	G166-A884 WeakPolarHBondContact O-CB 3.45Å; I169-A884 HydrophobicContact CG2-CB 4.44Å; V170-A884 HydrophobicContact CG2-CB 3.3Å; K880-A884 WeakPolarHBondContact O-CB 3.42Å; K880-A884 PolarHBondContact O-N 3.1Å; K880-A884 VanDerWaalsContact O-N 3.09Å; A884-F886 PolarHBondContact O-N 2.73Å; A884-L887 PolarHBondContact O-N 3.44Å; A884-F888 VanDerWaalsContact O-CD2 3.31Å; A884-F888 WeakPolarHBondContact O-CD2 3.46Å; A884-F888 PolarHBondContact O-N 2.74Å
885	S	96.1	Very high	93.8	Very high	79 Å²	79	55.5 Å²	55.5	55%	0.552	28%	0.28	S	S	*	.	H	α-helix	trans	-55.7	-41.4	176.6	-174.9	0	0	0	0	111.8	Y881 I882 F888 F889	Y881-S885 WeakPolarHBondContact O-CB 3.28Å; Y881-S885 PolarHBondContact O-N 2.84Å; I882-S885 PolarHBondContact O-N 3.06Å; S885-F888 PolarHBondContact O-N 3.35Å; S885-F889 VanDerWaalsContact O-CB 3.32Å; S885-F889 WeakPolarHBondContact O-CB 3.32Å; S885-F889 PolarHBondContact O-N 2.82Å
886	F	97.1	Very high	94	Very high	80 Å²	80	59 Å²	59	35%	0.351	30%	0.296	S	S	.	.	H	α-helix	trans	-63.7	-41.1	175.8	-179.8	-99.5	0	0	0	113	V856 L860 I882 S883 A884 F889 L890	V856-F886 HydrophobicContact CG1-CE1 3.81Å; V856-F886 HydrophobicContact CG1-CZ 3.83Å; L860-F886 HydrophobicContact CD2-CD1 3.74Å; L860-F886 HydrophobicContact CD2-CE1 4.3Å; I882-F886 WeakPolarHBondContact O-CB 3.45Å; I882-F886 PolarHBondContact O-N 2.71Å; S883-F886 PolarHBondContact O-N 2.72Å; A884-F886 PolarHBondContact O-N 2.73Å; F886-F889 WeakPolarHBondContact O-CB 3.26Å; F886-F889 PolarHBondContact O-N 2.86Å; F886-L890 HydrophobicContact CD1-CD1 4.13Å; F886-L890 HydrophobicContact CD1-CG 4.39Å; F886-L890 HydrophobicContact CE1-CD1 3.59Å; F886-L890 HydrophobicContact CE1-CD2 4.47Å; F886-L890 HydrophobicContact CE1-CG 4.02Å; F886-L890 HydrophobicContact CZ-CD1 4.08Å; F886-L890 HydrophobicContact CZ-CD2 4.14Å; F886-L890 HydrophobicContact CZ-CG 4.15Å; F886-L890 WeakPolarHBondContact O-CG 3.32Å; F886-L890 PolarHBondContact O-N 2.97Å
887	L	96.6	Very high	94.2	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66.1	-42.7	175.5	-69.7	172.5	0	0	0	112.2	F162 I165 I169 A857 L860 S883 A884 F889 L890 W891	F162-L887 WeakPolarHBondContact O-CB 3.33Å; I165-L887 HydrophobicContact CB-CD1 4.32Å; I165-L887 HydrophobicContact CG2-CD1 4.02Å; I169-L887 HydrophobicContact CD1-CD1 3.81Å; A857-L887 HydrophobicContact CB-CD2 3.75Å; L860-L887 HydrophobicContact CD2-CD1 4.5Å; L860-L887 HydrophobicContact CD2-CD2 4Å; L860-L887 HydrophobicContact CD2-CG 3.99Å; S883-L887 WeakPolarHBondContact O-CG 3.49Å; S883-L887 PolarHBondContact O-N 3.05Å; A884-L887 PolarHBondContact O-N 3.44Å; L887-F889 VanDerWaalsContact C-N 3.27Å; L887-F889 PolarHBondContact O-N 2.81Å; L887-L890 PolarHBondContact O-N 2.66Å; L887-W891 PolarHBondContact O-N 3.42Å
888	F	96.4	Very high	94.3	Very high	85 Å²	85	52.5 Å²	52.5	37%	0.373	26%	0.263	S	S	.	.	H	α-helix	trans	-60.7	-38.4	172.9	-86.4	-85.5	0	0	0	111.9	V163 V167 A884 S885 W891 F892	V163-F888 HydrophobicContact CB-CE1 4.39Å; V163-F888 HydrophobicContact CG1-CD1 4.42Å; V163-F888 HydrophobicContact CG1-CE1 3.6Å; V163-F888 HydrophobicContact CG1-CZ 3.78Å; V163-F888 HydrophobicContact CG2-CD1 4.27Å; V163-F888 HydrophobicContact CG2-CE1 4.24Å; V167-F888 HydrophobicContact CG2-CE2 4.35Å; V167-F888 HydrophobicContact CG2-CZ 3.87Å; A884-F888 VanDerWaalsContact O-CD2 3.31Å; A884-F888 WeakPolarHBondContact O-CD2 3.46Å; A884-F888 PolarHBondContact O-N 2.74Å; S885-F888 PolarHBondContact O-N 3.35Å; F888-W891 PolarHBondContact O-N 2.82Å; F888-F892 PolarHBondContact O-N 3.11Å
889	F	97	Very high	94.3	Very high	120 Å²	120	48.2 Å²	48.2	53%	0.526	24%	0.24	S	C	.	.	H	α-helix	trans	-63.5	-45.6	174.8	174.5	-101.6	0	0	0	111.8	S885 F886 L887 W891 F892 V893	S885-F889 VanDerWaalsContact O-CB 3.32Å; S885-F889 WeakPolarHBondContact O-CB 3.32Å; S885-F889 PolarHBondContact O-N 2.82Å; F886-F889 WeakPolarHBondContact O-CB 3.26Å; F886-F889 PolarHBondContact O-N 2.86Å; L887-F889 VanDerWaalsContact C-N 3.27Å; L887-F889 PolarHBondContact O-N 2.81Å; F889-W891 VanDerWaalsContact C-N 3.3Å; F889-W891 PolarHBondContact O-N 2.8Å; F889-F892 PolarHBondContact O-N 2.91Å; F889-V893 HydrophobicContact CD1-CG2 4.18Å; F889-V893 HydrophobicContact CD2-CG2 4.14Å; F889-V893 HydrophobicContact CE1-CG2 3.74Å; F889-V893 HydrophobicContact CE2-CG2 3.69Å; F889-V893 HydrophobicContact CG-CG2 4.38Å; F889-V893 HydrophobicContact CZ-CG2 3.48Å; F889-V893 VanDerWaalsContact CZ-CG2 3.48Å; F889-V893 WeakPolarHBondContact O-CG2 3.28Å; F889-V893 PolarHBondContact O-N 2.8Å
890	L	96.8	Very high	94.2	Very high	11 Å²	11	49.4 Å²	49.4	6%	0.058	24%	0.244	C	C	.	.	H	α-helix	trans	-57.8	-42.3	175.1	-72.6	-179.4	0	0	0	112.1	F853 V856 F886 L887 V893 Y894	F853-L890 HydrophobicContact CD1-CD2 4.17Å; F853-L890 HydrophobicContact CD2-CB 4.49Å; F853-L890 HydrophobicContact CD2-CD2 4.38Å; F853-L890 HydrophobicContact CE1-CD2 4.48Å; F853-L890 HydrophobicContact CG-CD2 4.14Å; V856-L890 HydrophobicContact CG1-CD1 4.13Å; F886-L890 HydrophobicContact CD1-CD1 4.13Å; F886-L890 HydrophobicContact CD1-CG 4.39Å; F886-L890 HydrophobicContact CE1-CD1 3.59Å; F886-L890 HydrophobicContact CE1-CD2 4.47Å; F886-L890 HydrophobicContact CE1-CG 4.02Å; F886-L890 HydrophobicContact CZ-CD1 4.08Å; F886-L890 HydrophobicContact CZ-CD2 4.14Å; F886-L890 HydrophobicContact CZ-CG 4.15Å; F886-L890 WeakPolarHBondContact O-CG 3.32Å; F886-L890 PolarHBondContact O-N 2.97Å; L887-L890 PolarHBondContact O-N 2.66Å; L890-V893 PolarHBondContact O-N 3.21Å; L890-Y894 VanDerWaalsContact O-CB 3.28Å; L890-Y894 WeakPolarHBondContact O-CB 3.35Å; L890-Y894 PolarHBondContact O-N 3.23Å
891	W	96.4	Very high	94.1	Very high	52 Å²	52	50.2 Å²	50.2	20%	0.197	25%	0.247	C	C	.	.	H	α-helix	trans	-63.6	-43.6	176.1	178.3	76.5	0	0	0	112.7	F159 F162 V163 L887 F888 F889 Y894 I895	F159-W891 AromaticContact CD2-CE2 3.77Å; F159-W891 AromaticContact CD2-CZ2 3.84Å; F159-W891 HydrophobicContact CD2-CZ2 3.84Å; F159-W891 AromaticContact CD2-NE1 3.66Å; F159-W891 HydrophobicContact CE2-CZ2 4.23Å; F162-W891 HydrophobicContact CB-CB 3.86Å; F162-W891 HydrophobicContact CD2-CB 4.01Å; F162-W891 HydrophobicContact CG-CB 4.39Å; V163-W891 HydrophobicContact CG2-CB 3.88Å; V163-W891 HydrophobicContact CG2-CD2 3.58Å; V163-W891 HydrophobicContact CG2-CE3 4.06Å; V163-W891 HydrophobicContact CG2-CG 3.5Å; V163-W891 VanDerWaalsContact CG2-CG 3.5Å; L887-W891 PolarHBondContact O-N 3.42Å; F888-W891 PolarHBondContact O-N 2.82Å; F889-W891 VanDerWaalsContact C-N 3.3Å; F889-W891 PolarHBondContact O-N 2.8Å; W891-Y894 WeakPolarHBondContact O-CB 3.34Å; W891-Y894 PolarHBondContact O-N 3.22Å; W891-I895 HydrophobicContact CD2-CD1 3.82Å; W891-I895 HydrophobicContact CE3-CD1 4.16Å; W891-I895 HydrophobicContact CH2-CD1 3.58Å; W891-I895 HydrophobicContact CZ2-CD1 3.17Å; W891-I895 HydrophobicContact CZ3-CD1 4.05Å; W891-I895 PolarHBondContact O-N 3.39Å
892	F	96	Very high	93.7	Very high	90 Å²	90	44.4 Å²	44.4	40%	0.395	23%	0.225	S	C	.	.	H	α-helix	trans	-63.4	-44.7	176.4	179.2	-96.3	0	0	0	111.9	F888 F889 Y894 I895 L896	F888-F892 PolarHBondContact O-N 3.11Å; F889-F892 PolarHBondContact O-N 2.91Å; F892-Y894 VanDerWaalsContact C-N 3.31Å; F892-Y894 PolarHBondContact O-N 2.86Å; F892-I895 PolarHBondContact O-N 2.92Å; F892-L896 HydrophobicContact CE1-CD2 4.49Å; F892-L896 WeakPolarHBondContact O-CB 3.28Å; F892-L896 PolarHBondContact O-N 2.81Å
893	V	95.7	Very high	93.2	Very high	30 Å²	30	42.4 Å²	42.4	18%	0.182	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-39.9	176	174.1	0	0	0	0	110.7	F853 F889 L890 L896 L897	F853-V893 HydrophobicContact CE2-CB 4.19Å; F853-V893 HydrophobicContact CE2-CG1 3.84Å; F853-V893 HydrophobicContact CZ-CB 4.47Å; F853-V893 HydrophobicContact CZ-CG1 3.71Å; F889-V893 HydrophobicContact CD1-CG2 4.18Å; F889-V893 HydrophobicContact CD2-CG2 4.14Å; F889-V893 HydrophobicContact CE1-CG2 3.74Å; F889-V893 HydrophobicContact CE2-CG2 3.69Å; F889-V893 HydrophobicContact CG-CG2 4.38Å; F889-V893 HydrophobicContact CZ-CG2 3.48Å; F889-V893 VanDerWaalsContact CZ-CG2 3.48Å; F889-V893 WeakPolarHBondContact O-CG2 3.28Å; F889-V893 PolarHBondContact O-N 2.8Å; L890-V893 PolarHBondContact O-N 3.21Å; V893-L896 PolarHBondContact O-N 3.33Å; V893-L897 HydrophobicContact CG1-CD1 3.82Å; V893-L897 HydrophobicContact CG1-CG 4.12Å; V893-L897 WeakPolarHBondContact O-CB 3.33Å; V893-L897 VanDerWaalsContact O-CG 3.31Å; V893-L897 WeakPolarHBondContact O-CG 3.46Å; V893-L897 PolarHBondContact O-N 2.68Å
894	Y	95.8	Very high	92.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-58.8	-50.4	175.4	163.1	-102.6	0	0	0	111.8	V154 A158 I774 S846 T849 L890 W891 F892 L896 L897 A898	V154-Y894 WeakPolarHBondContact CG1-OH 3.47Å; A158-Y894 HydrophobicContact CB-CD1 3.65Å; A158-Y894 HydrophobicContact CB-CE1 3.41Å; A158-Y894 VanDerWaalsContact CB-CE1 3.41Å; A158-Y894 HydrophobicContact CB-CE2 4.48Å; A158-Y894 HydrophobicContact CB-CG 4.3Å; I774-Y894 HydrophobicContact CG2-CE1 3.58Å; S846-Y894 PolarHBondContact OG-OH 2.77Å; T849-Y894 HydrophobicContact CG2-CD2 4.03Å; L890-Y894 VanDerWaalsContact O-CB 3.28Å; L890-Y894 WeakPolarHBondContact O-CB 3.35Å; L890-Y894 PolarHBondContact O-N 3.23Å; W891-Y894 WeakPolarHBondContact O-CB 3.34Å; W891-Y894 PolarHBondContact O-N 3.22Å; F892-Y894 VanDerWaalsContact C-N 3.31Å; F892-Y894 PolarHBondContact O-N 2.86Å; Y894-L896 VanDerWaalsContact C-N 3.3Å; Y894-L896 PolarHBondContact O-N 3.15Å; Y894-L897 PolarHBondContact O-N 2.81Å; Y894-A898 VanDerWaalsContact O-CB 3.29Å; Y894-A898 WeakPolarHBondContact O-CB 3.31Å; Y894-A898 PolarHBondContact O-N 2.88Å
895	I	93.9	Very high	92	Very high	33 Å²	33	49.6 Å²	49.6	17%	0.169	25%	0.251	C	S	.	.	H	α-helix	trans	-60.4	-43.3	176.7	-72.9	174.7	0	0	0	110.9	I774 T775 W891 F892 G899	I774-I895 HydrophobicContact CG2-CG1 4.48Å; T775-I895 HydrophobicContact CG2-CD1 4.2Å; T775-I895 HydrophobicContact CG2-CG1 4.27Å; T775-I895 HydrophobicContact CG2-CG2 3.59Å; W891-I895 HydrophobicContact CD2-CD1 3.82Å; W891-I895 HydrophobicContact CE3-CD1 4.16Å; W891-I895 HydrophobicContact CH2-CD1 3.58Å; W891-I895 HydrophobicContact CZ2-CD1 3.17Å; W891-I895 HydrophobicContact CZ3-CD1 4.05Å; W891-I895 PolarHBondContact O-N 3.39Å; F892-I895 PolarHBondContact O-N 2.92Å; I895-G899 PolarHBondContact O-N 2.81Å
896	L	93.3	Very high	91.2	Very high	83 Å²	83	48.9 Å²	48.9	44%	0.435	24%	0.24	S	C	.	.	H	α-helix	trans	-61.5	-50.5	179.6	-178.2	66.1	0	0	0	111	F892 V893 Y894 G899 L900	F892-L896 HydrophobicContact CE1-CD2 4.49Å; F892-L896 WeakPolarHBondContact O-CB 3.28Å; F892-L896 PolarHBondContact O-N 2.81Å; V893-L896 PolarHBondContact O-N 3.33Å; Y894-L896 VanDerWaalsContact C-N 3.3Å; Y894-L896 PolarHBondContact O-N 3.15Å; L896-G899 PolarHBondContact O-N 2.8Å; L896-L900 HydrophobicContact CD1-CD1 4.05Å; L896-L900 HydrophobicContact CD1-CG 4.17Å; L896-L900 HydrophobicContact CG-CD1 3.92Å; L896-L900 HydrophobicContact CG-CG 4.38Å; L896-L900 WeakPolarHBondContact O-CB 3.25Å; L896-L900 WeakPolarHBondContact O-CG 3.47Å; L896-L900 PolarHBondContact O-N 2.93Å
897	L	93	Very high	90.1	Very high	50 Å²	50	53.1 Å²	53.1	26%	0.262	26%	0.26	S	S	.	.	H	α-helix	trans	-63.3	-47.8	179.9	-69.6	176.7	0	0	0	111.6	F845 T849 F853 V893 Y894 G899 L900 E901 I906	F845-L897 HydrophobicContact CE1-CB 4.14Å; F845-L897 WeakPolarHBondContact CE1-O 3.42Å; F845-L897 HydrophobicContact CZ-CB 4.33Å; T849-L897 HydrophobicContact CG2-CB 4.44Å; T849-L897 HydrophobicContact CG2-CD1 4.01Å; F853-L897 HydrophobicContact CE2-CD1 4.42Å; F853-L897 HydrophobicContact CZ-CD1 4.01Å; V893-L897 HydrophobicContact CG1-CD1 3.82Å; V893-L897 HydrophobicContact CG1-CG 4.12Å; V893-L897 WeakPolarHBondContact O-CB 3.33Å; V893-L897 VanDerWaalsContact O-CG 3.31Å; V893-L897 WeakPolarHBondContact O-CG 3.46Å; V893-L897 PolarHBondContact O-N 2.68Å; Y894-L897 PolarHBondContact O-N 2.81Å; L897-G899 VanDerWaalsContact C-N 3.27Å; L897-G899 PolarHBondContact O-N 2.81Å; L897-L900 PolarHBondContact O-N 2.89Å; L897-E901 PolarHBondContact O-N 2.98Å; L897-I906 HydrophobicContact CD2-CD1 4.05Å
898	A	90	Very high	88.5	Confident	2 Å²	2	54.7 Å²	54.7	2%	0.017	28%	0.277	C	S	.	.	H	α-helix	trans	-62.1	-36.5	177.8	0	0	0	0	0	111.8	I774 Y894 N902	I774-A898 HydrophobicContact CD1-CB 4.38Å; Y894-A898 VanDerWaalsContact O-CB 3.29Å; Y894-A898 WeakPolarHBondContact O-CB 3.31Å; Y894-A898 PolarHBondContact O-N 2.88Å; A898-N902 WeakPolarHBondContact O-CB 3.11Å; A898-N902 PolarHBondContact O-N 3.45Å; A898-N902 PolarHBondContact O-ND2 2.98Å
899	G	89	Confident	86.8	Confident	14 Å²	14	60.3 Å²	60.3	14%	0.144	30%	0.302	C	S	.	.	H	α-helix	trans	-67.1	-48.9	174.2	0	0	0	0	0	112.5	I895 L896 L897 E901 N902 Y903	I895-G899 PolarHBondContact O-N 2.81Å; L896-G899 PolarHBondContact O-N 2.8Å; L897-G899 VanDerWaalsContact C-N 3.27Å; L897-G899 PolarHBondContact O-N 2.81Å; G899-E901 VanDerWaalsContact C-N 3.35Å; G899-E901 PolarHBondContact O-N 2.91Å; G899-N902 PolarHBondContact O-N 2.8Å; G899-Y903 WeakPolarHBondContact O-CD2 3.28Å; G899-Y903 PolarHBondContact O-N 2.67Å
900	L	89.2	Confident	86.2	Confident	48 Å²	48	57.4 Å²	57.4	25%	0.251	29%	0.291	S	S	.	.	H	α-helix	trans	-63	-39.2	-178.4	-70.3	175.6	0	0	0	112.5	L896 L897 Y903 C904 I905 I906	L896-L900 HydrophobicContact CD1-CD1 4.05Å; L896-L900 HydrophobicContact CD1-CG 4.17Å; L896-L900 HydrophobicContact CG-CD1 3.92Å; L896-L900 HydrophobicContact CG-CG 4.38Å; L896-L900 WeakPolarHBondContact O-CB 3.25Å; L896-L900 WeakPolarHBondContact O-CG 3.47Å; L896-L900 PolarHBondContact O-N 2.93Å; L897-L900 PolarHBondContact O-N 2.89Å; L900-Y903 PolarHBondContact O-N 3.47Å; L900-C904 PolarHBondContact O-N 2.89Å; L900-I905 HydrophobicContact CB-CB 4.31Å; L900-I905 HydrophobicContact CD2-CB 4.13Å; L900-I905 HydrophobicContact CD2-CD1 3.53Å; L900-I905 HydrophobicContact CD2-CG1 4.43Å; L900-I905 HydrophobicContact CD2-CG2 4.04Å; L900-I905 WeakPolarHBondContact O-CB 3.46Å; L900-I905 PolarHBondContact O-N 3.35Å; L900-I906 HydrophobicContact CB-CD1 3.73Å; L900-I906 HydrophobicContact CB-CG1 4.03Å; L900-I906 HydrophobicContact CD1-CD1 3.71Å; L900-I906 HydrophobicContact CD1-CG1 4.47Å; L900-I906 HydrophobicContact CG-CD1 4.38Å
901	E	87.1	Confident	85.7	Confident	24 Å²	24	59.8 Å²	59.8	11%	0.112	30%	0.303	C	S	.	.	H	α-helix	trans	-66.2	-43.6	174.8	-176.1	-82.7	165.8	0	0	111.6	S842 F845 L897 G899 Y903 C904	S842-E901 VanDerWaalsContact CA-OE2 3.26Å; S842-E901 WeakPolarHBondContact CA-OE2 3.02Å; S842-E901 WeakPolarHBondContact CB-OE2 3.28Å; F845-E901 HydrophobicContact CB-CG 4.06Å; F845-E901 HydrophobicContact CD1-CB 3.59Å; F845-E901 HydrophobicContact CD1-CG 3.7Å; F845-E901 HydrophobicContact CD2-CB 4.48Å; F845-E901 HydrophobicContact CD2-CG 3.97Å; F845-E901 HydrophobicContact CE1-CB 3.62Å; F845-E901 HydrophobicContact CE1-CG 4.13Å; F845-E901 HydrophobicContact CE2-CB 4.49Å; F845-E901 HydrophobicContact CE2-CG 4.36Å; F845-E901 HydrophobicContact CG-CB 4.06Å; F845-E901 HydrophobicContact CG-CG 3.62Å; F845-E901 HydrophobicContact CZ-CB 4.09Å; F845-E901 HydrophobicContact CZ-CG 4.44Å; L897-E901 PolarHBondContact O-N 2.98Å; G899-E901 VanDerWaalsContact C-N 3.35Å; G899-E901 PolarHBondContact O-N 2.91Å; E901-Y903 PolarHBondContact O-N 2.76Å; E901-Y903 VanDerWaalsContact O-N 3.1Å; E901-C904 WeakPolarHBondContact O-CA 3.33Å; E901-C904 PolarHBondContact O-N 3.19Å
902	N	84.9	Confident	85.1	Confident	9 Å²	9	60.2 Å²	60.2	5%	0.048	31%	0.309	C	S	.	.	H	α-helix	trans	-58.9	-28.1	177.4	-91.8	-73	0	0	0	112.8	S30 V771 S842 A898 G899	S30-N902 WeakPolarHBondContact CB-O 3.28Å; S30-N902 PolarHBondContact OG-O 3.31Å; V771-N902 HydrophobicContact CG2-CB 3.72Å; S842-N902 WeakPolarHBondContact CB-OD1 2.99Å; S842-N902 PolarHBondContact OG-OD1 3.47Å; A898-N902 WeakPolarHBondContact O-CB 3.11Å; A898-N902 PolarHBondContact O-N 3.45Å; A898-N902 PolarHBondContact O-ND2 2.98Å; G899-N902 PolarHBondContact O-N 2.8Å
903	Y	84.9	Confident	84.5	Confident	68 Å²	68	58.5 Å²	58.5	27%	0.267	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	12.2	175.8	-68.3	-67.4	0	0	0	114	G766 L767 T768 V771 G899 L900 E901 I905	G766-Y903 PolarHBondContact O-OH 2.8Å; G766-Y903 VanDerWaalsContact O-OH 3.11Å; L767-Y903 WeakPolarHBondContact CA-OH 3.44Å; L767-Y903 VanDerWaalsContact CD2-OH 3.3Å; L767-Y903 WeakPolarHBondContact CD2-OH 2.86Å; T768-Y903 HydrophobicContact CG2-CE1 4.47Å; V771-Y903 HydrophobicContact CG2-CE2 4.4Å; G899-Y903 WeakPolarHBondContact O-CD2 3.28Å; G899-Y903 PolarHBondContact O-N 2.67Å; L900-Y903 PolarHBondContact O-N 3.47Å; E901-Y903 PolarHBondContact O-N 2.76Å; E901-Y903 VanDerWaalsContact O-N 3.1Å; Y903-I905 PolarHBondContact O-N 3.16Å
904	C	81.1	Confident	83.7	Confident	50 Å²	50	60.3 Å²	60.3	34%	0.338	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	28.7	-175.8	-55.3	0	0	0	0	114	C28 L900 E901	C28-C904 HydrophobicContact CB-CB 3.7Å; C28-C904 WeakPolarHBondContact CB-SG 3.22Å; C28-C904 WeakPolarHBondContact SG-CB 3.5Å; C28-C904 CovalentContact SG-SG 2.02Å; C28-C904 PolarHBondContact SG-SG 2.95Å; L900-C904 PolarHBondContact O-N 2.89Å; E901-C904 WeakPolarHBondContact O-CA 3.33Å; E901-C904 PolarHBondContact O-N 3.19Å
905	I	81	Confident	82.9	Confident	114 Å²	114	64.3 Å²	64.3	59%	0.585	33%	0.332	S	S	*	.	S	Bend	trans	-79	-31.1	174.7	-62.6	166.4	0	0	0	109.9	L900 Y903	L900-I905 HydrophobicContact CB-CB 4.31Å; L900-I905 HydrophobicContact CD2-CB 4.13Å; L900-I905 HydrophobicContact CD2-CD1 3.53Å; L900-I905 HydrophobicContact CD2-CG1 4.43Å; L900-I905 HydrophobicContact CD2-CG2 4.04Å; L900-I905 WeakPolarHBondContact O-CB 3.46Å; L900-I905 PolarHBondContact O-N 3.35Å; Y903-I905 PolarHBondContact O-N 3.16Å
906	I	81.1	Confident	82.2	Confident	63 Å²	63	66.5 Å²	66.5	32%	0.323	34%	0.344	S	S	.	.	S	Bend	trans	-118.8	140	173.4	-58.9	174.3	0	0	0	107	L897 L900 G908	L897-I906 HydrophobicContact CD2-CD1 4.05Å; L900-I906 HydrophobicContact CB-CD1 3.73Å; L900-I906 HydrophobicContact CB-CG1 4.03Å; L900-I906 HydrophobicContact CD1-CD1 3.71Å; L900-I906 HydrophobicContact CD1-CG1 4.47Å; L900-I906 HydrophobicContact CG-CD1 4.38Å; I906-G908 PolarHBondContact O-N 3.33Å
907	E	72.4	Confident	81.3	Confident	169 Å²	169	65.2 Å²	65.2	79%	0.79	34%	0.337	S	S	*	.			trans	-69.4	125.7	169.1	-69.1	-173.5	161.3	0	0	109.5
908	G	64.3	Low	80.3	Confident	34 Å²	34	66.5 Å²	66.5	35%	0.351	34%	0.343	S	S	.	.			trans	-63	161.3	168.4	0	0	0	0	0	111.6	I906	I906-G908 PolarHBondContact O-N 3.33Å
909	F	59	Low	79.4	Confident	203 Å²	203	72.4 Å²	72.4	89%	0.89	37%	0.373	S	S	*	.			trans	-64.6	0	179.6	-67.7	-72	0	0	0	113.4	F845 T848	F845-F909 AromaticContact CD2-CD2 3.55Å; F845-F909 HydrophobicContact CD2-CD2 3.55Å; F845-F909 AromaticContact CD2-CE2 3.84Å; F845-F909 HydrophobicContact CD2-CE2 3.84Å; F845-F909 AromaticContact CE2-CD2 3.79Å; F845-F909 HydrophobicContact CE2-CD2 3.79Å; F845-F909 AromaticContact CE2-CE2 3.62Å; F845-F909 HydrophobicContact CE2-CE2 3.62Å; F845-F909 HydrophobicContact CE2-CZ 4.48Å; T848-F909 HydrophobicContact CG2-CD2 4.29Å; T848-F909 HydrophobicContact CG2-CE2 4.3Å

Retrieved 909 of 909 residues in 1178.4 ms (Link to these results)

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