A0A077Z2U2_TRITR Loading...

FXNA-like protease

AlphaFold DB , UniProt , Accession A0A077Z2U2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 892 aa.

						>A0A077Z2U2_TRITR|A0A077Z2U2
MESYVHHVRRRHPNNTSPVAPKRSHGNSTPTLTYVGLSYWAVHMFLLLLLFLACRFFDERMPAPVSDDIVNRNELVTTFSETRARRFLEKLVVLGPRPSGSYECEQLATALILDEVAKIKLICDLSSSIITREMAIAKPVHFIHAEVQRPSGCFALNFLNHFVQCYQNVTNVVVRLGTSRQIRSALLLNCHFDSVPSSPGASDDGVSCSVLLEILRVLSSKNSGLPYDVVFLFNGAEENILPAAHGFITLHPLRYAIRSFINLEGAGAGGPLKSSWMLNLYLNNVPYPHTTVIGHELFQSGALPAETDFRIFRDYGRLPGIDIAFVKNGYVYHNEFDRPEYITTGCIQRAGENVLAMVNAVMQSDCMRNQCAEDDKYGVFFDMLGLFTVSYSLSISIMVNVFIIAATAAIFLIGISAGLPSSFDLRQESVWFRFYTFAHIADSLKAHGLALLGSVASGAVMLFAVSVLGNYLVWYGRSEALLSLYVAPALCGGLSVHYLFSRRFRLRDAKQVLVYEQCVFNCTLVLLAVILLVLTFWNLRSSYYFTFILLFLLMRFPLLWLSDGLVKRKSLHATTIIFAVHTLSVLPAYVFVIYGYIELSSLMVPILARVGPVVNAEKIVCIFGTATAVTAMLLMATLVYISDGMQWLRCLALYCLMYYLAISFTPYGIPFQYDLRQPRLRRIHMQHFTRRNCCNDLKANAIENWLWVYPLDMRGIKDLPNYDEIKSGHPPSCDPESTYCDLPYYIPVSRNFPASQSLLTKMEALPQAAYQTELHILNKKVLVAGSDHMCVFITPFEHWRLLNWSFNKNSAKETNGSAKFVVASQFVHGVLRYSSQLRTLMEKIHTDRLSSIHNNSLWKSRLTVDAWNSDVKCYSWVQIYPPYGEVFSFNAQ
					

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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	35.6	Very low	37.4	Very low	229 Å²	229	172.5 Å²	172.5	100%	1.128	79%	0.786	S	S	*	*				0	76.3	0	-74.8	173.9	167.4	0	0	106.4
2	E	35.2	Very low	37.9	Very low	185 Å²	185	174.5 Å²	174.5	86%	0.864	80%	0.796	S	S	*	*				65.8	123	88.8	-72.9	-177.7	164.7	0	0	110
3	S	38.6	Very low	38.3	Very low	93 Å²	93	168.9 Å²	168.9	65%	0.65	79%	0.786	S	S	*	*			cis	178.1	145.2	22.8	39.9	0	0	0	0	110.1
4	Y	38.7	Very low	38.6	Very low	217 Å²	217	167.3 Å²	167.3	85%	0.851	79%	0.785	S	S	*	*			trans	80.6	144.8	133.9	-80.3	-125.1	0	0	0	120.2
5	V	40.3	Very low	38.8	Very low	98 Å²	98	166.3 Å²	166.3	59%	0.594	79%	0.787	S	S	*	*			cis	-168.6	154.4	-8	124	0	0	0	0	111.1
6	H	39	Very low	39.1	Very low	143 Å²	143	163 Å²	163	66%	0.662	78%	0.782	S	S	*	*			trans	-4.2	145.6	160.6	-64	-73.4	0	0	0	123.2
7	H	40.8	Very low	39.2	Very low	181 Å²	181	159.8 Å²	159.8	84%	0.838	78%	0.78	S	S	*	*				-170.6	158.4	87.2	-107.6	-62.9	0	0	0	115.6
8	V	37.1	Very low	39.4	Very low	96 Å²	96	157.9 Å²	157.9	58%	0.582	78%	0.783	S	S	*	*			trans	-115.2	149.5	-154.2	154	0	0	0	0	112.2
9	R	35.1	Very low	39.4	Very low	205 Å²	205	157.4 Å²	157.4	77%	0.774	79%	0.788	S	S	*	*			trans	71	150.7	155.5	-79.5	166.3	-164.3	-173.8	1.6	117.3
10	R	37.6	Very low	39.6	Very low	221 Å²	221	154 Å²	154	83%	0.834	79%	0.786	S	S	*	*			cis	-168.5	169.7	24	-127.8	164	-167.6	-169.7	3.5	111
11	R	34	Very low	39.5	Very low	230 Å²	230	152 Å²	152	87%	0.868	78%	0.784	S	S	*	*			trans	-74.9	157.5	-172.4	-63.3	171.4	170.8	175.7	-4.5	115.7
12	H	43	Very low	39.5	Very low	196 Å²	196	151.4 Å²	151.4	91%	0.907	77%	0.774	S	S	*	*				-164.9	153.8	124.5	-100.3	-70.4	0	0	0	112.3
13	P	42.6	Very low	39.6	Very low	102 Å²	102	153.8 Å²	153.8	66%	0.662	78%	0.775	S	S	*	*			trans	-112	176.8	-162.4	41.4	-30.8	0	0	0	116
14	N	42.4	Very low	39.4	Very low	146 Å²	146	154.3 Å²	154.3	78%	0.781	78%	0.779	S	S	*	*			trans	93.9	104.2	164.3	-64.9	-7.1	0	0	0	119
15	N	42.5	Very low	39.1	Very low	152 Å²	152	153 Å²	153	81%	0.813	78%	0.781	S	S	*	*				-172.7	118.7	112.2	-107.4	-7.4	0	0	0	113.7
16	T	44.1	Very low	38.7	Very low	114 Å²	114	152 Å²	152	70%	0.699	79%	0.79	S	S	*	*			trans	18.9	113.4	146.8	54.5	0	0	0	0	122.7
17	S	40	Very low	38.3	Very low	108 Å²	108	153.1 Å²	153.1	76%	0.755	80%	0.801	S	S	*	*			trans	45.3	142.4	132	26.1	0	0	0	0	122.3
18	P	42.9	Very low	38.1	Very low	127 Å²	127	149.8 Å²	149.8	83%	0.825	80%	0.798	S	S	*	*				-137.1	164.6	55	35.2	-15.4	0	0	0	117.7
19	V	38.7	Very low	38.3	Very low	147 Å²	147	150.6 Å²	150.6	89%	0.891	80%	0.803	S	S	*	*			trans	-54.1	128.5	-176.8	176.3	0	0	0	0	113.4
20	A	43.7	Very low	39.1	Very low	89 Å²	89	145.9 Å²	145.9	74%	0.736	80%	0.799	S	S	*	*			trans	-126.6	147	163.8	0	0	0	0	0	109.8
21	P	38.4	Very low	40.3	Very low	114 Å²	114	141.3 Å²	141.3	74%	0.74	80%	0.796	S	S	*	*			trans	-83.9	149.3	-150.9	32.5	-34.9	0	0	0	114.5	R23	P21-R23 PolarHBondContact O-N 3.2Å
22	K	34.2	Very low	42.3	Very low	215 Å²	215	131.9 Å²	131.9	94%	0.935	76%	0.763	S	S	*	*			trans	-48.1	115.1	167.2	-72.9	176.1	175.1	176.6	0	110.9
23	R	37.4	Very low	44.3	Very low	235 Å²	235	125.4 Å²	125.4	89%	0.887	74%	0.737	S	S	*	*			trans	-100.2	100.4	164.3	-88.5	-174.5	173.6	179.3	-1.1	110.8	P21	P21-R23 PolarHBondContact O-N 3.2Å
24	S	35.1	Very low	46.4	Very low	104 Å²	104	123.3 Å²	123.3	73%	0.727	72%	0.716	S	S	*	*			trans	32.6	122	137.8	62.8	0	0	0	0	119.8	G26	S24-G26 PolarHBondContact O-N 3.32Å
25	H	32.8	Very low	48.6	Very low	191 Å²	191	116.4 Å²	116.4	88%	0.884	68%	0.679	S	S	*	*			trans	-35.6	120.1	157.2	-71.7	-49.8	0	0	0	113.3	N27	H25-N27 PolarHBondContact O-N 3.1Å
26	G	32.1	Very low	50.8	Low	77 Å²	77	110.4 Å²	110.4	79%	0.794	65%	0.654	S	S	*	*			trans	-71.5	115.2	168.3	0	0	0	0	0	110.4	S24 S28	S24-G26 PolarHBondContact O-N 3.32Å; G26-S28 PolarHBondContact O-N 3.37Å; G26-S28 VanDerWaalsContact O-N 3.1Å
27	N	30.3	Very low	52.9	Low	165 Å²	165	109.1 Å²	109.1	88%	0.882	64%	0.642	S	S	*	*			trans	-63.5	101.1	167.7	-82.9	-20.9	0	0	0	109.6	H25 T29	H25-N27 PolarHBondContact O-N 3.1Å; N27-T29 PolarHBondContact O-N 3.26Å
28	S	35.6	Very low	55.4	Low	112 Å²	112	107.7 Å²	107.7	78%	0.783	63%	0.632	S	S	*	*			trans	-67	112.2	163.3	53.2	0	0	0	0	108.9	G26	G26-S28 PolarHBondContact O-N 3.37Å; G26-S28 VanDerWaalsContact O-N 3.1Å
29	T	41.6	Very low	57.7	Low	112 Å²	112	105.8 Å²	105.8	69%	0.687	61%	0.609	S	S	*	*			trans	-54.9	129.5	169.2	42.9	0	0	0	0	109.4	N27 T31	N27-T29 PolarHBondContact O-N 3.26Å; T29-T31 PolarHBondContact O-N 3.09Å
30	P	51.8	Low	60.3	Low	107 Å²	107	98.9 Å²	98.9	70%	0.695	57%	0.567	S	S	*	*			trans	-62.6	112.9	-177.1	23.9	-31.6	0	0	0	110.1	L32	P30-L32 PolarHBondContact O-N 3.33Å
31	T	62.7	Low	62.6	Low	125 Å²	125	97.5 Å²	97.5	77%	0.767	56%	0.555	S	S	*	*			trans	-68.5	126.2	174.2	49.3	0	0	0	0	109.5	T29 T33	T29-T31 PolarHBondContact O-N 3.09Å; T31-T33 PolarHBondContact O-N 3.26Å
32	L	76.3	Confident	65.2	Low	32 Å²	32	96.2 Å²	96.2	17%	0.168	55%	0.545	C	S	.	.			trans	-66.2	122.4	174.4	-170.1	69.7	0	0	0	109.9	P30 Y34 A509 V512 L513 T574	P30-L32 PolarHBondContact O-N 3.33Å; L32-Y34 HydrophobicContact CB-CE2 4.45Å; L32-Y34 HydrophobicContact CD2-CE1 4.15Å; L32-Y34 WeakPolarHBondContact O-CD2 3.29Å; L32-Y34 PolarHBondContact O-N 2.91Å; L32-A509 HydrophobicContact CB-CB 3.75Å; L32-A509 HydrophobicContact CD1-CB 4.3Å; L32-V512 HydrophobicContact CD2-CB 3.9Å; L32-V512 HydrophobicContact CD2-CG1 3.7Å; L32-V512 HydrophobicContact CD2-CG2 4.44Å; L32-L513 HydrophobicContact CD1-CD1 4.05Å; L32-L513 HydrophobicContact CD1-CD2 4.44Å; L32-L513 HydrophobicContact CD1-CG 4.19Å; L32-T574 HydrophobicContact CD1-CG2 3.69Å; L32-T574 HydrophobicContact CD2-CG2 4.11Å; L32-T574 HydrophobicContact CG-CG2 3.88Å
33	T	84.4	Confident	68	Low	60 Å²	60	86.1 Å²	86.1	37%	0.368	50%	0.501	S	S	.	.			trans	-76	111	171.3	-49.9	0	0	0	0	109.1	T31 H572 T574	T31-T33 PolarHBondContact O-N 3.26Å; T33-H572 PolarHBondContact OG1-CD2 2.9Å; T33-H572 PolarHBondContact OG1-NE2 3.14Å; T33-T574 WeakPolarHBondContact O-CB 3.41Å; T33-T574 WeakPolarHBondContact O-CG2 2.99Å; T33-T574 PolarHBondContact O-OG1 3.43Å
34	Y	86.5	Confident	70.6	Confident	58 Å²	58	77.8 Å²	77.8	23%	0.227	47%	0.473	C	S	.	.			trans	-78.5	152.4	176.2	-69	-90.3	0	0	0	111.8	L32 G36 R505 V512 D643	L32-Y34 HydrophobicContact CB-CE2 4.45Å; L32-Y34 HydrophobicContact CD2-CE1 4.15Å; L32-Y34 WeakPolarHBondContact O-CD2 3.29Å; L32-Y34 PolarHBondContact O-N 2.91Å; Y34-G36 PolarHBondContact O-N 2.65Å; Y34-R505 HydrophobicContact CE1-CG 3.85Å; Y34-R505 WeakPolarHBondContact OH-CB 3.04Å; Y34-R505 WeakPolarHBondContact OH-CG 3.02Å; Y34-V512 HydrophobicContact CE1-CG1 4.23Å; Y34-D643 VanDerWaalsContact CB-CB 3.45Å; Y34-D643 HydrophobicContact CD1-CB 4.46Å; Y34-D643 HydrophobicContact CG-CB 3.93Å
35	V	89.5	Confident	73.5	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	46%	0.463	C	S	.	.	B	Isolated β-bridge	trans	-76.2	122.7	175.2	176.8	0	0	0	0	109.5	Y39 F578 I641 S642 D643	V35-Y39 HydrophobicContact CB-CD2 4.46Å; V35-Y39 HydrophobicContact CG1-CD1 4.1Å; V35-Y39 HydrophobicContact CG1-CD2 3.43Å; V35-Y39 VanDerWaalsContact CG1-CD2 3.43Å; V35-Y39 HydrophobicContact CG1-CE2 4.23Å; V35-Y39 HydrophobicContact CG1-CG 3.32Å; V35-F578 HydrophobicContact CB-CD2 4.3Å; V35-F578 HydrophobicContact CG1-CD2 3.7Å; V35-F578 HydrophobicContact CG1-CE2 4Å; V35-F578 HydrophobicContact CG1-CG 4.05Å; V35-F578 HydrophobicContact CG2-CB 4.1Å; V35-F578 HydrophobicContact CG2-CD2 4.36Å; V35-F578 HydrophobicContact CG2-CG 4.46Å; V35-I641 PolarHBondContact N-O 3.14Å; V35-S642 CarbonylContact O-C 3.52Å; V35-S642 VanDerWaalsContact O-CA 3.28Å; V35-S642 WeakPolarHBondContact O-CA 3.36Å; V35-D643 PolarHBondContact O-N 3.21Å
36	G	88.6	Confident	76.4	Confident	27 Å²	27	72 Å²	72	28%	0.278	44%	0.435	S	S	.	.			trans	-85.4	-176.8	-177.9	0	0	0	0	0	114.7	Y34 S38 Y39	Y34-G36 PolarHBondContact O-N 2.65Å; G36-S38 VanDerWaalsContact C-N 3.26Å; G36-S38 PolarHBondContact O-N 3.46Å; G36-Y39 PolarHBondContact O-N 3.04Å
37	L	89.3	Confident	79.3	Confident	86 Å²	86	69.6 Å²	69.6	45%	0.45	40%	0.404	S	S	.	.	H	α-helix	trans	-58.1	-32	-178.4	-177.1	63.5	0	0	0	114	Y39 W40 A41 W647	L37-Y39 VanDerWaalsContact C-N 3.28Å; L37-Y39 PolarHBondContact O-N 3.31Å; L37-W40 PolarHBondContact O-N 3.01Å; L37-A41 PolarHBondContact O-N 2.97Å; L37-W647 HydrophobicContact CD1-CB 4.13Å
38	S	90.5	Very high	82.4	Confident	78 Å²	78	66.1 Å²	66.1	55%	0.545	39%	0.385	S	S	.	.	H	α-helix	trans	-58.9	-37.4	-179.7	52	0	0	0	0	112.9	G36 A41 V42	G36-S38 VanDerWaalsContact C-N 3.26Å; G36-S38 PolarHBondContact O-N 3.46Å; S38-A41 WeakPolarHBondContact O-CB 3.39Å; S38-A41 PolarHBondContact O-N 3.35Å; S38-V42 WeakPolarHBondContact O-CG2 3.47Å; S38-V42 PolarHBondContact O-N 3.34Å; S38-V42 VanDerWaalsContact O-N 3.09Å
39	Y	92.3	Very high	85.3	Confident	88 Å²	88	64.4 Å²	64.4	35%	0.345	37%	0.366	S	S	.	.	H	α-helix	trans	-72.6	-36.7	178.5	-67.3	-92.9	0	0	0	112.3	V35 G36 L37 A41 V42 H43 T575 F578	V35-Y39 HydrophobicContact CB-CD2 4.46Å; V35-Y39 HydrophobicContact CG1-CD1 4.1Å; V35-Y39 HydrophobicContact CG1-CD2 3.43Å; V35-Y39 VanDerWaalsContact CG1-CD2 3.43Å; V35-Y39 HydrophobicContact CG1-CE2 4.23Å; V35-Y39 HydrophobicContact CG1-CG 3.32Å; G36-Y39 PolarHBondContact O-N 3.04Å; L37-Y39 VanDerWaalsContact C-N 3.28Å; L37-Y39 PolarHBondContact O-N 3.31Å; Y39-A41 VanDerWaalsContact C-N 3.33Å; Y39-V42 PolarHBondContact O-N 2.88Å; Y39-H43 WeakPolarHBondContact O-CB 3.4Å; Y39-H43 PolarHBondContact O-N 3.48Å; Y39-T575 HydrophobicContact CE1-CG2 3.71Å; Y39-F578 HydrophobicContact CD1-CD1 4.4Å
40	W	93	Very high	87.8	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.008	34%	0.342	C	S	.	.	H	α-helix	trans	-66.1	-36.8	171.2	-78.5	95.4	0	0	0	111.9	L37 V42 H43 M44 F578 L638 V639 S642 M645 W647	L37-W40 PolarHBondContact O-N 3.01Å; W40-V42 VanDerWaalsContact C-N 3.32Å; W40-V42 PolarHBondContact O-N 3.28Å; W40-H43 PolarHBondContact O-N 3.02Å; W40-M44 HydrophobicContact CE3-CE 4.08Å; W40-M44 HydrophobicContact CZ3-CE 4.27Å; W40-M44 WeakPolarHBondContact O-CB 3.33Å; W40-M44 VanDerWaalsContact O-CG 3.26Å; W40-M44 WeakPolarHBondContact O-CG 3.31Å; W40-M44 PolarHBondContact O-N 3.31Å; W40-F578 HydrophobicContact CD2-CE2 4.44Å; W40-F578 HydrophobicContact CZ2-CE2 4.44Å; W40-L638 HydrophobicContact CH2-CB 3.83Å; W40-L638 HydrophobicContact CH2-CD1 4.39Å; W40-L638 HydrophobicContact CZ2-CB 3.75Å; W40-V639 HydrophobicContact CH2-CG2 4.31Å; W40-V639 HydrophobicContact CZ2-CG2 4.37Å; W40-S642 VanDerWaalsContact NE1-CB 3.27Å; W40-S642 PolarHBondContact NE1-OG 2.82Å; W40-M645 HydrophobicContact CH2-CE 4.13Å; W40-M645 HydrophobicContact CZ2-CE 3.8Å; W40-M645 HydrophobicContact CZ2-SD 3.84Å; W40-W647 HydrophobicContact CD2-CZ2 4.31Å; W40-W647 AromaticContact CD2-NE1 3.51Å; W40-W647 AromaticContact CE2-NE1 3.96Å; W40-W647 AromaticContact CE3-CE2 3.86Å; W40-W647 AromaticContact CE3-CZ2 3.7Å; W40-W647 HydrophobicContact CE3-CZ2 3.7Å; W40-W647 AromaticContact CE3-NE1 3.76Å; W40-W647 AromaticContact CG-NE1 3.71Å; W40-W647 HydrophobicContact CH2-CZ2 4.13Å; W40-W647 HydrophobicContact CZ3-CH2 4.42Å; W40-W647 AromaticContact CZ3-CZ2 3.6Å; W40-W647 HydrophobicContact CZ3-CZ2 3.6Å
41	A	92.3	Very high	89.8	Confident	59 Å²	59	58.4 Å²	58.4	49%	0.488	32%	0.321	S	S	.	.	H	α-helix	trans	-60.4	-43.3	173.5	0	0	0	0	0	111.1	L37 S38 Y39 F45	L37-A41 PolarHBondContact O-N 2.97Å; S38-A41 WeakPolarHBondContact O-CB 3.39Å; S38-A41 PolarHBondContact O-N 3.35Å; Y39-A41 VanDerWaalsContact C-N 3.33Å; A41-F45 WeakPolarHBondContact O-CB 3.18Å; A41-F45 PolarHBondContact O-N 3.28Å
42	V	92.8	Very high	91.4	Very high	88 Å²	88	57 Å²	57	53%	0.533	31%	0.309	S	S	.	.	H	α-helix	trans	-63.5	-45.6	173.4	175	0	0	0	0	111.5	S38 Y39 W40 M44 F45 L46	S38-V42 WeakPolarHBondContact O-CG2 3.47Å; S38-V42 PolarHBondContact O-N 3.34Å; S38-V42 VanDerWaalsContact O-N 3.09Å; Y39-V42 PolarHBondContact O-N 2.88Å; W40-V42 VanDerWaalsContact C-N 3.32Å; W40-V42 PolarHBondContact O-N 3.28Å; V42-M44 PolarHBondContact O-N 3.15Å; V42-F45 PolarHBondContact O-N 2.96Å; V42-L46 HydrophobicContact CG1-CD1 4.18Å; V42-L46 WeakPolarHBondContact O-CG 3.37Å; V42-L46 PolarHBondContact O-N 3.44Å
43	H	93.2	Very high	92.2	Very high	3 Å²	3	57.2 Å²	57.2	1%	0.014	32%	0.315	C	S	.	.	H	α-helix	trans	-60.7	-44.8	178.8	-171.1	84.4	0	0	0	112.4	Y39 W40 L46 L47 F578 T582 Y589	Y39-H43 WeakPolarHBondContact O-CB 3.4Å; Y39-H43 PolarHBondContact O-N 3.48Å; W40-H43 PolarHBondContact O-N 3.02Å; H43-L46 PolarHBondContact O-N 3.1Å; H43-L47 WeakPolarHBondContact O-CG 3.39Å; H43-L47 PolarHBondContact O-N 3.5Å; H43-F578 HydrophobicContact CB-CE1 4.17Å; H43-F578 HydrophobicContact CB-CZ 3.95Å; H43-T582 VanDerWaalsContact ND1-CG2 3.32Å; H43-T582 WeakPolarHBondContact ND1-CG2 3.09Å; H43-T582 PolarHBondContact ND1-OG1 2.97Å; H43-Y589 AromaticContact CE1-CE2 3.7Å; H43-Y589 AromaticContact NE2-CE2 3.77Å; H43-Y589 AromaticContact NE2-CZ 3.77Å; H43-Y589 PolarHBondContact NE2-OH 2.56Å
44	M	92.3	Very high	92.7	Very high	59 Å²	59	54.5 Å²	54.5	29%	0.291	30%	0.298	S	S	.	.	H	α-helix	trans	-69.1	-36.4	176.9	-67.8	-61.4	-178.7	0	0	112.2	W40 V42 L46 L47 L48 W647	W40-M44 HydrophobicContact CE3-CE 4.08Å; W40-M44 HydrophobicContact CZ3-CE 4.27Å; W40-M44 WeakPolarHBondContact O-CB 3.33Å; W40-M44 VanDerWaalsContact O-CG 3.26Å; W40-M44 WeakPolarHBondContact O-CG 3.31Å; W40-M44 PolarHBondContact O-N 3.31Å; V42-M44 PolarHBondContact O-N 3.15Å; M44-L46 VanDerWaalsContact C-N 3.35Å; M44-L47 PolarHBondContact O-N 3.44Å; M44-L47 HydrophobicContact SD-CD1 3.83Å; M44-L48 PolarHBondContact O-N 2.84Å; M44-W647 HydrophobicContact CE-CD2 4.3Å; M44-W647 HydrophobicContact CE-CE3 3.91Å; M44-W647 HydrophobicContact CE-CH2 3.26Å; M44-W647 HydrophobicContact CE-CZ2 3.72Å; M44-W647 HydrophobicContact CE-CZ3 3.38Å
45	F	94.7	Very high	92.9	Very high	119 Å²	119	54 Å²	54	52%	0.522	30%	0.296	S	S	.	.	H	α-helix	trans	-63.4	-41.2	172.9	-179.3	-107.8	0	0	0	111.5	A41 V42 L48 L49	A41-F45 WeakPolarHBondContact O-CB 3.18Å; A41-F45 PolarHBondContact O-N 3.28Å; V42-F45 PolarHBondContact O-N 2.96Å; F45-L48 WeakPolarHBondContact O-CB 3.37Å; F45-L48 PolarHBondContact O-N 3.36Å; F45-L49 HydrophobicContact CD1-CD1 3.9Å; F45-L49 HydrophobicContact CD1-CG 4.32Å; F45-L49 HydrophobicContact CE1-CD1 3.43Å; F45-L49 VanDerWaalsContact CE1-CD1 3.43Å; F45-L49 HydrophobicContact CE1-CD2 4.45Å; F45-L49 HydrophobicContact CE1-CG 3.98Å; F45-L49 HydrophobicContact CE2-CG 4.46Å; F45-L49 HydrophobicContact CZ-CD1 3.91Å; F45-L49 HydrophobicContact CZ-CD2 4.08Å; F45-L49 HydrophobicContact CZ-CG 4.04Å; F45-L49 WeakPolarHBondContact O-CG 3.42Å; F45-L49 PolarHBondContact O-N 3.47Å
46	L	94.9	Very high	93.1	Very high	54 Å²	54	60 Å²	60	28%	0.283	32%	0.323	S	S	.	.	H	α-helix	trans	-61.8	-42.8	173.1	-72.1	169.5	0	0	0	111.9	V42 H43 M44 L48 L49 L50 T582	V42-L46 HydrophobicContact CG1-CD1 4.18Å; V42-L46 WeakPolarHBondContact O-CG 3.37Å; V42-L46 PolarHBondContact O-N 3.44Å; H43-L46 PolarHBondContact O-N 3.1Å; M44-L46 VanDerWaalsContact C-N 3.35Å; L46-L48 VanDerWaalsContact C-N 3.32Å; L46-L48 PolarHBondContact O-N 3.33Å; L46-L49 PolarHBondContact O-N 2.99Å; L46-L50 WeakPolarHBondContact O-CG 3.46Å; L46-L50 PolarHBondContact O-N 3.02Å; L46-T582 HydrophobicContact CD1-CG2 3.94Å
47	L	93.8	Very high	93.1	Very high	27 Å²	27	61.6 Å²	61.6	14%	0.141	32%	0.322	C	S	.	.	H	α-helix	trans	-61.3	-40.7	174.7	-72.7	170.7	0	0	0	112.4	H43 M44 L50 F51 Y589 M635	H43-L47 WeakPolarHBondContact O-CG 3.39Å; H43-L47 PolarHBondContact O-N 3.5Å; M44-L47 PolarHBondContact O-N 3.44Å; M44-L47 HydrophobicContact SD-CD1 3.83Å; L47-L50 PolarHBondContact O-N 3.28Å; L47-F51 WeakPolarHBondContact O-CB 3.49Å; L47-F51 PolarHBondContact O-N 3.13Å; L47-Y589 HydrophobicContact CD2-CD1 3.58Å; L47-Y589 HydrophobicContact CD2-CD2 3.46Å; L47-Y589 VanDerWaalsContact CD2-CD2 3.46Å; L47-Y589 HydrophobicContact CD2-CE1 3.81Å; L47-Y589 HydrophobicContact CD2-CE2 3.67Å; L47-Y589 HydrophobicContact CD2-CG 3.42Å; L47-Y589 VanDerWaalsContact CD2-CG 3.42Å; L47-M635 HydrophobicContact CD1-CE 3.43Å; L47-M635 VanDerWaalsContact CD1-CE 3.43Å
48	L	94	Very high	92.9	Very high	92 Å²	92	57.7 Å²	57.7	48%	0.482	30%	0.301	S	S	.	.	H	α-helix	trans	-63.5	-44.6	174.2	179.5	62.9	0	0	0	111.2	M44 F45 L46 L50 F51 L52	M44-L48 PolarHBondContact O-N 2.84Å; F45-L48 WeakPolarHBondContact O-CB 3.37Å; F45-L48 PolarHBondContact O-N 3.36Å; L46-L48 VanDerWaalsContact C-N 3.32Å; L46-L48 PolarHBondContact O-N 3.33Å; L48-L50 VanDerWaalsContact C-N 3.35Å; L48-L50 PolarHBondContact O-N 2.98Å; L48-F51 WeakPolarHBondContact O-CB 3.46Å; L48-F51 PolarHBondContact O-N 3.07Å; L48-L52 HydrophobicContact CD1-CD1 4.45Å; L48-L52 HydrophobicContact CD1-CG 4.38Å; L48-L52 HydrophobicContact CG-CD1 4.22Å; L48-L52 VanDerWaalsContact O-CG 3.29Å; L48-L52 WeakPolarHBondContact O-CG 3.5Å; L48-L52 PolarHBondContact O-N 2.95Å
49	L	96.1	Very high	92.6	Very high	76 Å²	76	60 Å²	60	40%	0.398	30%	0.303	S	S	.	.	H	α-helix	trans	-61.5	-41.7	175.3	-72.8	179.8	0	0	0	112	F45 L46 L52 A53	F45-L49 HydrophobicContact CD1-CD1 3.9Å; F45-L49 HydrophobicContact CD1-CG 4.32Å; F45-L49 HydrophobicContact CE1-CD1 3.43Å; F45-L49 VanDerWaalsContact CE1-CD1 3.43Å; F45-L49 HydrophobicContact CE1-CD2 4.45Å; F45-L49 HydrophobicContact CE1-CG 3.98Å; F45-L49 HydrophobicContact CE2-CG 4.46Å; F45-L49 HydrophobicContact CZ-CD1 3.91Å; F45-L49 HydrophobicContact CZ-CD2 4.08Å; F45-L49 HydrophobicContact CZ-CG 4.04Å; F45-L49 WeakPolarHBondContact O-CG 3.42Å; F45-L49 PolarHBondContact O-N 3.47Å; L46-L49 PolarHBondContact O-N 2.99Å; L49-L52 PolarHBondContact O-N 2.79Å; L49-A53 VanDerWaalsContact O-CB 3.26Å; L49-A53 WeakPolarHBondContact O-CB 3.43Å; L49-A53 PolarHBondContact O-N 3.29Å
50	L	95.3	Very high	92.4	Very high	33 Å²	33	62.5 Å²	62.5	17%	0.173	31%	0.312	C	S	.	.	H	α-helix	trans	-64.1	-41	174.8	-71.6	-178.6	0	0	0	111.5	L46 L47 L48 A53 C54 L586 V590 I593	L46-L50 WeakPolarHBondContact O-CG 3.46Å; L46-L50 PolarHBondContact O-N 3.02Å; L47-L50 PolarHBondContact O-N 3.28Å; L48-L50 VanDerWaalsContact C-N 3.35Å; L48-L50 PolarHBondContact O-N 2.98Å; L50-A53 PolarHBondContact O-N 3.45Å; L50-C54 WeakPolarHBondContact O-CB 3.5Å; L50-C54 PolarHBondContact O-N 3.37Å; L50-C54 PolarHBondContact O-SG 2.92Å; L50-L586 HydrophobicContact CD1-CD2 3.98Å; L50-V590 HydrophobicContact CD1-CG2 4.45Å; L50-V590 HydrophobicContact CD2-CG2 3.9Å; L50-I593 HydrophobicContact CB-CD1 3.93Å
51	F	94.2	Very high	92.2	Very high	61 Å²	61	64.5 Å²	64.5	27%	0.268	32%	0.322	S	S	.	.	H	α-helix	trans	-60.1	-48.5	173.9	-180	-92.4	0	0	0	111.9	L47 L48 A53 C54 R55 I593 I597	L47-F51 WeakPolarHBondContact O-CB 3.49Å; L47-F51 PolarHBondContact O-N 3.13Å; L48-F51 WeakPolarHBondContact O-CB 3.46Å; L48-F51 PolarHBondContact O-N 3.07Å; F51-A53 VanDerWaalsContact C-N 3.34Å; F51-A53 PolarHBondContact O-N 3.21Å; F51-C54 PolarHBondContact O-N 2.86Å; F51-R55 HydrophobicContact CD1-CG 4.32Å; F51-R55 HydrophobicContact CE1-CG 3.91Å; F51-R55 HydrophobicContact CZ-CG 4.02Å; F51-R55 WeakPolarHBondContact O-CB 3.48Å; F51-R55 WeakPolarHBondContact O-CG 3.28Å; F51-R55 PolarHBondContact O-N 2.61Å; F51-I593 HydrophobicContact CB-CG2 4.29Å; F51-I593 HydrophobicContact CD2-CG2 3.91Å; F51-I597 HydrophobicContact CD2-CD1 4.33Å; F51-I597 HydrophobicContact CE2-CD1 4.19Å; F51-I597 HydrophobicContact CE2-CG1 4.22Å
52	L	94.8	Very high	92.2	Very high	95 Å²	95	62.5 Å²	62.5	50%	0.497	31%	0.305	S	S	.	.	H	α-helix	trans	-63.7	-39.2	176.9	-67	174.1	0	0	0	111.9	L48 L49 F56	L48-L52 HydrophobicContact CD1-CD1 4.45Å; L48-L52 HydrophobicContact CD1-CG 4.38Å; L48-L52 HydrophobicContact CG-CD1 4.22Å; L48-L52 VanDerWaalsContact O-CG 3.29Å; L48-L52 WeakPolarHBondContact O-CG 3.5Å; L48-L52 PolarHBondContact O-N 2.95Å; L49-L52 PolarHBondContact O-N 2.79Å; L52-F56 VanDerWaalsContact O-CB 3.3Å; L52-F56 WeakPolarHBondContact O-CB 3.29Å; L52-F56 PolarHBondContact O-N 3.22Å
53	A	94.8	Very high	92.1	Very high	37 Å²	37	62.3 Å²	62.3	31%	0.306	31%	0.312	S	S	.	.	H	α-helix	trans	-65.4	-48.3	175.9	0	0	0	0	0	111.5	L49 L50 F51 R55 F56 F57	L49-A53 VanDerWaalsContact O-CB 3.26Å; L49-A53 WeakPolarHBondContact O-CB 3.43Å; L49-A53 PolarHBondContact O-N 3.29Å; L50-A53 PolarHBondContact O-N 3.45Å; F51-A53 VanDerWaalsContact C-N 3.34Å; F51-A53 PolarHBondContact O-N 3.21Å; A53-R55 VanDerWaalsContact C-N 3.31Å; A53-R55 PolarHBondContact O-N 2.81Å; A53-F56 WeakPolarHBondContact O-CB 3.26Å; A53-F56 PolarHBondContact O-N 3.16Å; A53-F56 VanDerWaalsContact O-N 3.17Å; A53-F57 WeakPolarHBondContact O-CD2 3.34Å; A53-F57 PolarHBondContact O-N 3.42Å
54	C	94.2	Very high	92	Very high	2 Å²	2	64.4 Å²	64.4	1%	0.014	33%	0.326	C	S	.	.	H	α-helix	trans	-59.7	-43	177.2	-66.2	0	0	0	0	111.1	L50 F51 F57 D58 L384 I593 I597	L50-C54 WeakPolarHBondContact O-CB 3.5Å; L50-C54 PolarHBondContact O-N 3.37Å; L50-C54 PolarHBondContact O-SG 2.92Å; F51-C54 PolarHBondContact O-N 2.86Å; C54-F57 PolarHBondContact O-N 2.87Å; C54-D58 WeakPolarHBondContact O-CB 3.49Å; C54-D58 PolarHBondContact O-N 3.26Å; C54-L384 HydrophobicContact CB-CD2 4.36Å; C54-I593 HydrophobicContact CB-CG2 3.76Å; C54-I597 HydrophobicContact CB-CD1 3.8Å
55	R	90.8	Very high	91.9	Very high	48 Å²	48	62.9 Å²	62.9	18%	0.181	32%	0.32	C	S	.	.	H	α-helix	trans	-60.7	-45.8	173.2	-78.5	-64.8	-165.3	177.2	5.6	112.5	F51 A53 F57 D58 E59 I597	F51-R55 HydrophobicContact CD1-CG 4.32Å; F51-R55 HydrophobicContact CE1-CG 3.91Å; F51-R55 HydrophobicContact CZ-CG 4.02Å; F51-R55 WeakPolarHBondContact O-CB 3.48Å; F51-R55 WeakPolarHBondContact O-CG 3.28Å; F51-R55 PolarHBondContact O-N 2.61Å; A53-R55 VanDerWaalsContact C-N 3.31Å; A53-R55 PolarHBondContact O-N 2.81Å; R55-F57 PolarHBondContact O-N 3.28Å; R55-D58 PolarHBondContact O-N 3.47Å; R55-E59 WeakPolarHBondContact O-CB 3.45Å; R55-E59 WeakPolarHBondContact O-CG 3.32Å; R55-E59 PolarHBondContact O-N 2.89Å; R55-I597 HydrophobicContact CG-CD1 3.77Å
56	F	92.6	Very high	91.1	Very high	127 Å²	127	59.3 Å²	59.3	56%	0.557	31%	0.31	S	S	*	.	H	α-helix	trans	-60	-44.2	178.1	174.8	-94.9	0	0	0	112.1	L52 A53 R60	L52-F56 VanDerWaalsContact O-CB 3.3Å; L52-F56 WeakPolarHBondContact O-CB 3.29Å; L52-F56 PolarHBondContact O-N 3.22Å; A53-F56 WeakPolarHBondContact O-CB 3.26Å; A53-F56 PolarHBondContact O-N 3.16Å; A53-F56 VanDerWaalsContact O-N 3.17Å; F56-R60 WeakPolarHBondContact O-CB 3.22Å; F56-R60 PolarHBondContact O-N 2.78Å
57	F	90.2	Very high	89.9	Confident	59 Å²	59	58.4 Å²	58.4	26%	0.259	31%	0.305	S	S	.	.	H	α-helix	trans	-70.3	-39.7	178.2	-77.3	-71	0	0	0	112.7	A53 C54 R55 E59 R60 L384 L386	A53-F57 WeakPolarHBondContact O-CD2 3.34Å; A53-F57 PolarHBondContact O-N 3.42Å; C54-F57 PolarHBondContact O-N 2.87Å; R55-F57 PolarHBondContact O-N 3.28Å; F57-E59 VanDerWaalsContact C-N 3.32Å; F57-E59 PolarHBondContact O-N 3.46Å; F57-R60 PolarHBondContact O-N 3.5Å; F57-L384 HydrophobicContact CB-CB 3.99Å; F57-L384 HydrophobicContact CD2-CD1 4.08Å; F57-L384 HydrophobicContact CG-CB 4.26Å; F57-L386 HydrophobicContact CD1-CD1 4.5Å; F57-L386 HydrophobicContact CD1-CD2 4.02Å; F57-L386 HydrophobicContact CD1-CG 4.43Å; F57-L386 HydrophobicContact CE1-CD1 4.24Å; F57-L386 HydrophobicContact CE1-CD2 3.96Å
58	D	84.4	Confident	88.1	Confident	5 Å²	5	64.1 Å²	64.1	3%	0.027	34%	0.336	C	S	.	.	H	α-helix	trans	-59.2	-40.2	174.2	178	64	0	0	0	112.3	C54 R55 K327 Y594 I597	C54-D58 WeakPolarHBondContact O-CB 3.49Å; C54-D58 PolarHBondContact O-N 3.26Å; R55-D58 PolarHBondContact O-N 3.47Å; D58-K327 WeakPolarHBondContact OD1-CE 3.49Å; D58-K327 IonicContact OD1-NZ 2.78Å; D58-K327 PolarHBondContact OD1-NZ 3.2Å; D58-K327 IonicContact OD2-NZ 3.33Å; D58-K327 PolarHBondContact OD2-NZ 3.41Å; D58-Y594 HydrophobicContact CB-CE2 4.24Å; D58-I597 HydrophobicContact CB-CG2 4.38Å; D58-I597 WeakPolarHBondContact OD2-CG2 3.3Å
59	E	84.2	Confident	86.1	Confident	126 Å²	126	65 Å²	65	59%	0.589	34%	0.34	S	S	*	.	H	α-helix	trans	-88.8	-12.9	-178.6	-68.6	178	-178.5	0	0	114	R55 F57 M61	R55-E59 WeakPolarHBondContact O-CB 3.45Å; R55-E59 WeakPolarHBondContact O-CG 3.32Å; R55-E59 PolarHBondContact O-N 2.89Å; F57-E59 VanDerWaalsContact C-N 3.32Å; F57-E59 PolarHBondContact O-N 3.46Å; E59-M61 PolarHBondContact O-N 3.24Å
60	R	88.5	Confident	83.9	Confident	140 Å²	140	63.3 Å²	63.3	53%	0.528	33%	0.333	S	S	.	.			trans	-64.2	124.2	-179.3	-178.5	177.6	-179.3	-175.9	-0.7	109.3	F56 F57 R349	F56-R60 WeakPolarHBondContact O-CB 3.22Å; F56-R60 PolarHBondContact O-N 2.78Å; F57-R60 PolarHBondContact O-N 3.5Å; R60-R349 PolarHBondContact O-NH2 2.97Å
61	M	88.4	Confident	81.4	Confident	44 Å²	44	67.3 Å²	67.3	22%	0.217	35%	0.354	C	S	.	.			trans	-116.8	153.6	174.3	-66.3	-65.5	173.9	0	0	110.8	E59 T343 T344 C346 R349	E59-M61 PolarHBondContact O-N 3.24Å; M61-T343 HydrophobicContact CG-CG2 4.3Å; M61-T344 WeakPolarHBondContact CB-O 3.32Å; M61-C346 HydrophobicContact CE-CB 4.36Å; M61-C346 HydrophobicContact SD-CB 4.3Å; M61-R349 VanDerWaalsContact SD-CZ 3.51Å; M61-R349 PolarHBondContact SD-NH1 2.85Å; M61-R349 VanDerWaalsContact SD-NH1 3.42Å
62	P	91.4	Very high	79.3	Confident	18 Å²	18	76.3 Å²	76.3	12%	0.117	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-65.9	154.3	170.6	28.8	-33.9	0	0	0	111.1	Y287 G345 Q348 R349	P62-Y287 HydrophobicContact CB-CE1 4.05Å; P62-Y287 HydrophobicContact CB-CE2 4.41Å; P62-Y287 HydrophobicContact CG-CE1 4.39Å; P62-Y287 HydrophobicContact CG-CE2 4.28Å; P62-G345 WeakPolarHBondContact CD-O 3.34Å; P62-G345 WeakPolarHBondContact CG-O 3.29Å; P62-G345 WeakPolarHBondContact O-CA 3.38Å; P62-Q348 HydrophobicContact CB-CG 4.48Å; P62-Q348 HydrophobicContact CG-CB 4.19Å; P62-Q348 HydrophobicContact CG-CG 4.24Å; P62-R349 HydrophobicContact CG-CB 3.8Å
63	A	92.1	Very high	77	Confident	84 Å²	84	79.5 Å²	79.5	69%	0.694	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-70.4	132.7	174.7	0	0	0	0	0	109.9	V65	A63-V65 PolarHBondContact O-N 2.6Å
64	P	91	Very high	74.9	Confident	47 Å²	47	83.7 Å²	83.7	31%	0.305	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-56.5	136.8	173	-25.1	33.4	0	0	0	111.7	S66 E81 T344	P64-S66 PolarHBondContact O-N 3.05Å; P64-E81 HydrophobicContact CB-CB 4.06Å; P64-E81 HydrophobicContact CB-CG 4.19Å; P64-E81 HydrophobicContact CG-CG 4.43Å; P64-T344 HydrophobicContact CG-CG2 3.34Å
65	V	89.6	Confident	73.2	Confident	27 Å²	27	86.3 Å²	86.3	16%	0.164	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-77.1	121.5	170.8	177	0	0	0	0	108.5	A63 I69 S80 T82 Q348	A63-V65 PolarHBondContact O-N 2.6Å; V65-I69 HydrophobicContact CG1-CD1 4.43Å; V65-S80 PolarHBondContact O-OG 3.43Å; V65-T82 PolarHBondContact O-OG1 3.43Å; V65-Q348 VanDerWaalsContact N-OE1 3.09Å
66	S	77.9	Confident	72.3	Confident	44 Å²	44	85 Å²	85	31%	0.308	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-74.7	159.6	176.5	66.3	0	0	0	0	111.6	P64 D68	P64-S66 PolarHBondContact O-N 3.05Å; S66-D68 VanDerWaalsContact C-N 3.26Å; S66-D68 PolarHBondContact O-N 3.01Å
67	D	69.9	Low	71.5	Confident	35 Å²	35	84 Å²	84	19%	0.187	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-69.3	-25.3	175.2	-100.2	-8.6	0	0	0	113.4	I69 V70 R83 R86	D67-I69 PolarHBondContact O-N 3.08Å; D67-I69 VanDerWaalsContact O-N 3.09Å; D67-V70 PolarHBondContact O-N 3.23Å; D67-R83 VanDerWaalsContact OD1-CD 3.23Å; D67-R83 WeakPolarHBondContact OD1-CD 3.18Å; D67-R83 WeakPolarHBondContact OD1-CG 3.48Å; D67-R83 IonicContact OD1-CZ 2.67Å; D67-R83 IonicContact OD1-NE 2.92Å; D67-R83 IonicContact OD1-NH1 3.43Å; D67-R83 PolarHBondContact OD1-NH1 2.82Å; D67-R86 IonicContact OD2-CZ 3.8Å; D67-R86 IonicContact OD2-NH1 3.74Å; D67-R86 PolarHBondContact OD2-NH1 3.44Å; D67-R86 IonicContact OD2-NH2 3.82Å; D67-R86 PolarHBondContact OD2-NH2 2.73Å
68	D	56.2	Low	71.3	Confident	146 Å²	146	84.1 Å²	84.1	78%	0.781	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-68.2	-11.6	-172.9	-55.8	-36.9	0	0	0	113.4	S66 V70	S66-D68 VanDerWaalsContact C-N 3.26Å; S66-D68 PolarHBondContact O-N 3.01Å; D68-V70 VanDerWaalsContact C-N 3.32Å
69	I	51.1	Low	71.8	Confident	112 Å²	112	84 Å²	84	57%	0.574	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-80.1	-16.7	176.5	-60.4	174.3	0	0	0	111.2	V65 D67 N71	V65-I69 HydrophobicContact CG1-CD1 4.43Å; D67-I69 PolarHBondContact O-N 3.08Å; D67-I69 VanDerWaalsContact O-N 3.09Å; I69-N71 PolarHBondContact O-N 3.41Å
70	V	50.1	Low	72.3	Confident	40 Å²	40	78 Å²	78	24%	0.242	41%	0.409	C	S	.	.	S	Bend	trans	-96.4	88.3	174.1	-170.4	0	0	0	0	108.7	D67 D68 R72 E74 V76	D67-V70 PolarHBondContact O-N 3.23Å; D68-V70 VanDerWaalsContact C-N 3.32Å; V70-R72 PolarHBondContact O-N 2.96Å; V70-E74 VanDerWaalsContact CG1-O 3.29Å; V70-E74 WeakPolarHBondContact CG1-O 3.27Å; V70-V76 HydrophobicContact CG1-CG2 4.19Å
71	N	43.7	Very low	72.5	Confident	116 Å²	116	71.4 Å²	71.4	62%	0.62	38%	0.384	S	S	*	.			trans	-48.4	140.2	162.4	-97.1	-35.1	0	0	0	108.5	I69 N73 E74	I69-N71 PolarHBondContact O-N 3.41Å; N71-N73 PolarHBondContact O-N 3.14Å; N71-E74 PolarHBondContact O-N 3.44Å
72	R	49.2	Very low	72.7	Confident	251 Å²	251	71.3 Å²	71.3	95%	0.947	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-10.4	-174.1	-71	-173.3	-164.8	-154.8	3	115.8	V70	V70-R72 PolarHBondContact O-N 2.96Å
73	N	46.1	Very low	72.8	Confident	161 Å²	161	72 Å²	72	86%	0.861	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.6	1.3	-178.9	-67	-7.6	0	0	0	114.6	N71	N71-N73 PolarHBondContact O-N 3.14Å
74	E	51.6	Low	72.9	Confident	126 Å²	126	68.1 Å²	68.1	59%	0.589	35%	0.354	S	S	*	.	S	Bend	trans	-100	137.8	176.2	-76.5	-176.1	169.7	0	0	111.5	V70 N71 V76	V70-E74 VanDerWaalsContact CG1-O 3.29Å; V70-E74 WeakPolarHBondContact CG1-O 3.27Å; N71-E74 PolarHBondContact O-N 3.44Å; E74-V76 PolarHBondContact O-N 2.82Å
75	L	58.5	Low	73.1	Confident	57 Å²	57	67.8 Å²	67.8	30%	0.298	35%	0.347	S	S	.	.			trans	-62.8	135.6	-178.8	-67.6	147.6	0	0	0	109.8	T77 S220 N222	L75-T77 VanDerWaalsContact C-N 3.34Å; L75-T77 HydrophobicContact CB-CG2 4.2Å; L75-T77 WeakPolarHBondContact O-CG2 3.38Å; L75-T77 PolarHBondContact O-N 2.92Å; L75-S220 VanDerWaalsContact CD2-O 3.3Å; L75-S220 WeakPolarHBondContact CD2-O 3.37Å; L75-N222 VanDerWaalsContact CD1-ND2 3.33Å; L75-N222 WeakPolarHBondContact CD1-ND2 3.32Å; L75-N222 WeakPolarHBondContact CD1-OD1 3.45Å
76	V	72.2	Confident	73.4	Confident	21 Å²	21	72.3 Å²	72.3	13%	0.127	36%	0.361	C	S	.	.			trans	-66.4	94.1	175.1	-178.4	0	0	0	0	108.4	V70 E74 R216 V217	V70-V76 HydrophobicContact CG1-CG2 4.19Å; E74-V76 PolarHBondContact O-N 2.82Å; V76-R216 HydrophobicContact CG1-CG 4.37Å; V76-V217 HydrophobicContact CG1-CG2 4.01Å
77	T	75.2	Confident	74.2	Confident	106 Å²	106	70.8 Å²	70.8	65%	0.65	35%	0.349	S	S	*	.			trans	-99.3	-17.4	-174.8	55.6	0	0	0	0	113.4	L75	L75-T77 VanDerWaalsContact C-N 3.34Å; L75-T77 HydrophobicContact CB-CG2 4.2Å; L75-T77 WeakPolarHBondContact O-CG2 3.38Å; L75-T77 PolarHBondContact O-N 2.92Å
78	T	87	Confident	75.5	Confident	61 Å²	61	69.1 Å²	69.1	37%	0.374	34%	0.34	S	S	.	.	S	Bend	trans	-121.7	148.4	-176.2	56.7	0	0	0	0	111.5	R83 V217	T78-R83 PolarHBondContact O-NH2 3.35Å; T78-V217 WeakPolarHBondContact O-CG2 3.49Å
79	F	93.9	Very high	77.4	Confident	2 Å²	2	67 Å²	67	1%	0.009	33%	0.325	C	S	.	.			trans	-65.8	139	172.6	-176.4	-86.5	0	0	0	110.1	A84 V210 E213 I214 I347 Q348 G351 E352 L355	F79-A84 HydrophobicContact CZ-CB 4.04Å; F79-V210 HydrophobicContact CE2-CB 4.39Å; F79-V210 HydrophobicContact CE2-CG1 4.1Å; F79-V210 HydrophobicContact CE2-CG2 4.48Å; F79-V210 HydrophobicContact CZ-CB 4.41Å; F79-V210 HydrophobicContact CZ-CG1 4.42Å; F79-V210 HydrophobicContact CZ-CG2 4.02Å; F79-E213 HydrophobicContact CD2-CB 4.08Å; F79-E213 HydrophobicContact CD2-CG 3.58Å; F79-E213 HydrophobicContact CE2-CB 3.61Å; F79-E213 HydrophobicContact CE2-CG 3.55Å; F79-E213 HydrophobicContact CG-CG 4.18Å; F79-E213 HydrophobicContact CZ-CB 4.21Å; F79-E213 HydrophobicContact CZ-CG 4.1Å; F79-I214 HydrophobicContact CD2-CG1 4.03Å; F79-I214 HydrophobicContact CE2-CG1 4.19Å; F79-I347 HydrophobicContact CE1-CG2 4.1Å; F79-I347 VanDerWaalsContact CE1-O 3.29Å; F79-I347 WeakPolarHBondContact CE1-O 3.39Å; F79-I347 HydrophobicContact CZ-CG2 4.04Å; F79-Q348 PolarHBondContact O-NE2 2.74Å; F79-G351 VanDerWaalsContact CE2-CA 3.44Å; F79-E352 HydrophobicContact CB-CG 4.37Å; F79-L355 HydrophobicContact CB-CD2 4.41Å
80	S	93.9	Very high	79.6	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.317	C	S	.	.			trans	-125	116.8	174.6	175.8	0	0	0	0	112.2	V65 T82 R83 A84 E213	V65-S80 PolarHBondContact O-OG 3.43Å; S80-T82 PolarHBondContact O-N 3.19Å; S80-T82 PolarHBondContact OG-N 3.46Å; S80-R83 VanDerWaalsContact CB-NH2 3.27Å; S80-R83 PolarHBondContact O-N 2.94Å; S80-R83 PolarHBondContact OG-N 3.39Å; S80-A84 PolarHBondContact O-N 2.79Å; S80-A84 VanDerWaalsContact O-N 3.14Å; S80-E213 PolarHBondContact N-OE1 3.49Å
81	E	93.8	Very high	81.9	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-58.7	-34.6	168.6	166.4	164.8	167	0	0	112.4	P64 R83 A84 R85 T344 G345 I347 Q348	P64-E81 HydrophobicContact CB-CB 4.06Å; P64-E81 HydrophobicContact CB-CG 4.19Å; P64-E81 HydrophobicContact CG-CG 4.43Å; E81-R83 VanDerWaalsContact C-N 3.34Å; E81-R83 PolarHBondContact O-N 3.19Å; E81-A84 PolarHBondContact O-N 3.31Å; E81-R85 HydrophobicContact CG-CG 4.03Å; E81-R85 WeakPolarHBondContact O-CB 3.38Å; E81-R85 WeakPolarHBondContact O-CG 3.45Å; E81-R85 PolarHBondContact O-N 2.94Å; E81-R85 IonicContact OE1-CZ 2.63Å; E81-R85 VanDerWaalsContact OE1-CZ 3.24Å; E81-R85 IonicContact OE1-NE 3.59Å; E81-R85 PolarHBondContact OE1-NE 3.29Å; E81-R85 IonicContact OE1-NH2 3.66Å; E81-R85 PolarHBondContact OE1-NH2 3.06Å; E81-T344 WeakPolarHBondContact OE1-CA 3.41Å; E81-G345 VanDerWaalsContact CD-N 3.3Å; E81-G345 PolarHBondContact OE1-N 3.49Å; E81-G345 WeakPolarHBondContact OE2-CA 3.42Å; E81-G345 PolarHBondContact OE2-N 3.21Å; E81-I347 HydrophobicContact CB-CB 4.21Å; E81-I347 HydrophobicContact CB-CG2 4.38Å; E81-I347 HydrophobicContact CG-CB 3.82Å; E81-I347 HydrophobicContact CG-CG2 4.32Å; E81-I347 PolarHBondContact OE2-N 3.14Å; E81-Q348 HydrophobicContact CB-CB 3.86Å; E81-Q348 VanDerWaalsContact OE2-CB 3.3Å; E81-Q348 WeakPolarHBondContact OE2-CB 3.41Å; E81-Q348 PolarHBondContact OE2-N 3.41Å
82	T	93.3	Very high	84.3	Confident	43 Å²	43	59.3 Å²	59.3	26%	0.264	28%	0.281	S	S	.	.	H	α-helix	trans	-60.4	-43.8	-180	-53.7	0	0	0	0	111.4	V65 S80 R86	V65-T82 PolarHBondContact O-OG1 3.43Å; S80-T82 PolarHBondContact O-N 3.19Å; S80-T82 PolarHBondContact OG-N 3.46Å; T82-R86 WeakPolarHBondContact O-CG 3.46Å; T82-R86 PolarHBondContact O-N 3.5Å
83	R	92.6	Very high	86.5	Confident	32 Å²	32	53.3 Å²	53.3	12%	0.121	27%	0.272	C	S	.	.	H	α-helix	trans	-69.9	-44.4	176.2	-67	-168.6	-71	-88.7	2.3	112.1	D67 T78 S80 E81 R85 R86 F87 E213	D67-R83 VanDerWaalsContact OD1-CD 3.23Å; D67-R83 WeakPolarHBondContact OD1-CD 3.18Å; D67-R83 WeakPolarHBondContact OD1-CG 3.48Å; D67-R83 IonicContact OD1-CZ 2.67Å; D67-R83 IonicContact OD1-NE 2.92Å; D67-R83 IonicContact OD1-NH1 3.43Å; D67-R83 PolarHBondContact OD1-NH1 2.82Å; T78-R83 PolarHBondContact O-NH2 3.35Å; S80-R83 VanDerWaalsContact CB-NH2 3.27Å; S80-R83 PolarHBondContact O-N 2.94Å; S80-R83 PolarHBondContact OG-N 3.39Å; E81-R83 VanDerWaalsContact C-N 3.34Å; E81-R83 PolarHBondContact O-N 3.19Å; R83-R85 VanDerWaalsContact C-N 3.3Å; R83-R85 PolarHBondContact O-N 3.3Å; R83-R86 PolarHBondContact O-N 3.5Å; R83-F87 PolarHBondContact O-N 3.13Å; R83-E213 IonicContact CZ-OE1 2.63Å; R83-E213 IonicContact NE-OE1 3.05Å; R83-E213 PolarHBondContact NE-OE1 3.41Å; R83-E213 IonicContact NE-OE2 3.68Å; R83-E213 PolarHBondContact NE-OE2 2.9Å; R83-E213 IonicContact NH2-OE1 3.03Å; R83-E213 PolarHBondContact NH2-OE1 3.28Å
84	A	95	Very high	88.7	Confident	2 Å²	2	48 Å²	48	2%	0.017	24%	0.243	C	C	.	.	H	α-helix	trans	-58.5	-42.1	177.7	0	0	0	0	0	111.5	F79 S80 E81 R86 F87 L88 S209 E213 I347	F79-A84 HydrophobicContact CZ-CB 4.04Å; S80-A84 PolarHBondContact O-N 2.79Å; S80-A84 VanDerWaalsContact O-N 3.14Å; E81-A84 PolarHBondContact O-N 3.31Å; A84-R86 PolarHBondContact O-N 3.14Å; A84-F87 PolarHBondContact O-N 2.83Å; A84-L88 PolarHBondContact O-N 3.31Å; A84-S209 WeakPolarHBondContact O-CB 3.48Å; A84-S209 PolarHBondContact O-OG 3.34Å; A84-E213 HydrophobicContact CB-CB 4.37Å; A84-I347 HydrophobicContact CB-CG2 3.74Å
85	R	94.2	Very high	90.5	Very high	41 Å²	41	42.9 Å²	42.9	16%	0.155	22%	0.224	C	C	.	.	H	α-helix	trans	-62.5	-39.5	176.3	-79	-172.3	178.6	-83.8	-2.1	113.3	E81 R83 F87 L88 E89 P339 I342 T343 I347	E81-R85 HydrophobicContact CG-CG 4.03Å; E81-R85 WeakPolarHBondContact O-CB 3.38Å; E81-R85 WeakPolarHBondContact O-CG 3.45Å; E81-R85 PolarHBondContact O-N 2.94Å; E81-R85 IonicContact OE1-CZ 2.63Å; E81-R85 VanDerWaalsContact OE1-CZ 3.24Å; E81-R85 IonicContact OE1-NE 3.59Å; E81-R85 PolarHBondContact OE1-NE 3.29Å; E81-R85 IonicContact OE1-NH2 3.66Å; E81-R85 PolarHBondContact OE1-NH2 3.06Å; R83-R85 VanDerWaalsContact C-N 3.3Å; R83-R85 PolarHBondContact O-N 3.3Å; R85-F87 VanDerWaalsContact C-N 3.28Å; R85-F87 PolarHBondContact O-N 2.69Å; R85-L88 WeakPolarHBondContact O-CB 3.38Å; R85-L88 PolarHBondContact O-N 3.44Å; R85-L88 VanDerWaalsContact O-N 3.13Å; R85-E89 WeakPolarHBondContact O-CG 3.39Å; R85-E89 PolarHBondContact O-N 3.28Å; R85-P339 PolarHBondContact NH1-O 2.91Å; R85-I342 PolarHBondContact NH1-O 2.67Å; R85-I342 PolarHBondContact NH2-O 2.87Å; R85-T343 PolarHBondContact NH2-O 3.08Å; R85-I347 HydrophobicContact CG-CD1 3.66Å
86	R	95.1	Very high	91.8	Very high	122 Å²	122	42 Å²	42	46%	0.46	22%	0.222	S	C	.	.	H	α-helix	trans	-62.3	-36.1	176.7	-69.6	-176.7	-163.1	144.7	8.2	112.8	D67 T82 R83 A84 K90	D67-R86 IonicContact OD2-CZ 3.8Å; D67-R86 IonicContact OD2-NH1 3.74Å; D67-R86 PolarHBondContact OD2-NH1 3.44Å; D67-R86 IonicContact OD2-NH2 3.82Å; D67-R86 PolarHBondContact OD2-NH2 2.73Å; T82-R86 WeakPolarHBondContact O-CG 3.46Å; T82-R86 PolarHBondContact O-N 3.5Å; R83-R86 PolarHBondContact O-N 3.5Å; A84-R86 PolarHBondContact O-N 3.14Å; R86-K90 WeakPolarHBondContact O-CG 3.47Å; R86-K90 PolarHBondContact O-N 3.35Å
87	F	96.4	Very high	92.6	Very high	11 Å²	11	41 Å²	41	5%	0.048	22%	0.215	C	C	.	.	H	α-helix	trans	-68	-45.7	172.5	-178.6	-101.2	0	0	0	111	R83 A84 R85 E89 K90 L91 L111 I112 E115 C208 S209 L212	R83-F87 PolarHBondContact O-N 3.13Å; A84-F87 PolarHBondContact O-N 2.83Å; R85-F87 VanDerWaalsContact C-N 3.28Å; R85-F87 PolarHBondContact O-N 2.69Å; F87-E89 VanDerWaalsContact C-N 3.31Å; F87-E89 PolarHBondContact O-N 2.93Å; F87-K90 WeakPolarHBondContact O-CB 3.38Å; F87-K90 PolarHBondContact O-N 3.26Å; F87-K90 VanDerWaalsContact O-N 3.09Å; F87-L91 HydrophobicContact CE1-CB 4.24Å; F87-L91 HydrophobicContact CE1-CD2 4.05Å; F87-L91 PolarHBondContact O-N 3.43Å; F87-L111 HydrophobicContact CE2-CD2 4.22Å; F87-L111 HydrophobicContact CE2-CG 3.85Å; F87-L111 HydrophobicContact CZ-CD2 4.48Å; F87-L111 HydrophobicContact CZ-CG 4.39Å; F87-I112 HydrophobicContact CZ-CG1 3.8Å; F87-E115 HydrophobicContact CD2-CB 4.25Å; F87-E115 HydrophobicContact CD2-CG 3.64Å; F87-E115 HydrophobicContact CE2-CB 4.13Å; F87-E115 HydrophobicContact CE2-CG 3.72Å; F87-C208 HydrophobicContact CE1-CB 4.1Å; F87-S209 WeakPolarHBondContact CD1-OG 3.45Å; F87-L212 HydrophobicContact CD1-CD1 3.61Å; F87-L212 HydrophobicContact CD2-CD1 3.69Å; F87-L212 HydrophobicContact CE1-CD1 3.39Å; F87-L212 HydrophobicContact CE2-CD1 3.44Å; F87-L212 VanDerWaalsContact CE2-CD1 3.44Å; F87-L212 HydrophobicContact CG-CD1 3.75Å; F87-L212 HydrophobicContact CZ-CD1 3.3Å
88	L	96.6	Very high	93	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-55.5	-47.7	-179.4	-177.6	56.9	0	0	0	111.5	A84 R85 K90 L91 V92 V206 S209 P339 I342 I347	A84-L88 PolarHBondContact O-N 3.31Å; R85-L88 WeakPolarHBondContact O-CB 3.38Å; R85-L88 PolarHBondContact O-N 3.44Å; R85-L88 VanDerWaalsContact O-N 3.13Å; L88-K90 VanDerWaalsContact C-N 3.35Å; L88-K90 PolarHBondContact O-N 3.29Å; L88-L91 PolarHBondContact O-N 2.91Å; L88-V92 HydrophobicContact CD1-CG2 3.88Å; L88-V92 HydrophobicContact CG-CG2 4.36Å; L88-V92 WeakPolarHBondContact O-CB 3.34Å; L88-V92 WeakPolarHBondContact O-CG2 3.34Å; L88-V92 PolarHBondContact O-N 3.17Å; L88-V206 HydrophobicContact CD1-CB 4.48Å; L88-V206 HydrophobicContact CD2-CB 4.32Å; L88-V206 HydrophobicContact CD2-CG2 4.48Å; L88-S209 WeakPolarHBondContact CA-OG 3.18Å; L88-S209 VanDerWaalsContact CB-OG 3.31Å; L88-S209 WeakPolarHBondContact CB-OG 3.37Å; L88-S209 PolarHBondContact N-OG 2.98Å; L88-P339 HydrophobicContact CD2-CB 4.12Å; L88-P339 HydrophobicContact CD2-CG 4.27Å; L88-P339 HydrophobicContact CG-CB 4.38Å; L88-P339 HydrophobicContact CG-CG 4.04Å; L88-I342 HydrophobicContact CD2-CD1 3.75Å; L88-I347 HydrophobicContact CD2-CD1 4.12Å
89	E	96.5	Very high	92.9	Very high	101 Å²	101	33.1 Å²	33.1	47%	0.472	17%	0.167	S	C	.	.	H	α-helix	trans	-58.9	-44.5	177.4	-73.3	170.2	-170.9	0	0	111.7	R85 F87 L91 V92 V93 P339	R85-E89 WeakPolarHBondContact O-CG 3.39Å; R85-E89 PolarHBondContact O-N 3.28Å; F87-E89 VanDerWaalsContact C-N 3.31Å; F87-E89 PolarHBondContact O-N 2.93Å; E89-L91 PolarHBondContact O-N 2.95Å; E89-V92 PolarHBondContact O-N 3.3Å; E89-V93 VanDerWaalsContact O-CB 3.31Å; E89-V93 WeakPolarHBondContact O-CB 3.23Å; E89-V93 WeakPolarHBondContact O-CG2 3.41Å; E89-V93 PolarHBondContact O-N 2.86Å; E89-P339 HydrophobicContact CG-CB 4.48Å; E89-P339 HydrophobicContact CG-CG 4.44Å
90	K	97.4	Very high	92.1	Very high	93 Å²	93	33.3 Å²	33.3	40%	0.404	17%	0.17	S	C	.	.	H	α-helix	trans	-62.3	-42.4	176.9	-69.6	169.5	-179.6	171.9	0	112.2	R86 F87 L88 L111 E115	R86-K90 WeakPolarHBondContact O-CG 3.47Å; R86-K90 PolarHBondContact O-N 3.35Å; F87-K90 WeakPolarHBondContact O-CB 3.38Å; F87-K90 PolarHBondContact O-N 3.26Å; F87-K90 VanDerWaalsContact O-N 3.09Å; L88-K90 VanDerWaalsContact C-N 3.35Å; L88-K90 PolarHBondContact O-N 3.29Å; K90-L111 HydrophobicContact CB-CD1 4.19Å; K90-L111 HydrophobicContact CB-CD2 3.87Å; K90-L111 HydrophobicContact CD-CD1 4.25Å; K90-E115 IonicContact NZ-OE1 3.83Å; K90-E115 PolarHBondContact NZ-OE1 3.28Å
91	L	97.2	Very high	91.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66.7	-46.2	-179.5	-178.2	65.2	0	0	0	110.9	F87 L88 E89 L94 R97 A108 L111 C208	F87-L91 HydrophobicContact CE1-CB 4.24Å; F87-L91 HydrophobicContact CE1-CD2 4.05Å; F87-L91 PolarHBondContact O-N 3.43Å; L88-L91 PolarHBondContact O-N 2.91Å; E89-L91 PolarHBondContact O-N 2.95Å; L91-L94 HydrophobicContact CD1-CD1 4.34Å; L91-L94 VanDerWaalsContact O-CB 3.3Å; L91-L94 WeakPolarHBondContact O-CB 3.11Å; L91-L94 WeakPolarHBondContact O-CG 3.44Å; L91-L94 PolarHBondContact O-N 3.01Å; L91-R97 PolarHBondContact O-NH1 3.12Å; L91-A108 HydrophobicContact CD1-CB 3.79Å; L91-L111 HydrophobicContact CB-CD2 4.13Å; L91-L111 HydrophobicContact CD1-CD2 4.28Å; L91-C208 HydrophobicContact CD2-CB 4.28Å
92	V	94.6	Very high	90.9	Very high	15 Å²	15	39.4 Å²	39.4	9%	0.091	19%	0.194	C	C	.	.	H	α-helix	trans	-71	-32.9	-177.2	171.2	0	0	0	0	112.4	L88 E89 L94 G95 P199 A201 P339	L88-V92 HydrophobicContact CD1-CG2 3.88Å; L88-V92 HydrophobicContact CG-CG2 4.36Å; L88-V92 WeakPolarHBondContact O-CB 3.34Å; L88-V92 WeakPolarHBondContact O-CG2 3.34Å; L88-V92 PolarHBondContact O-N 3.17Å; E89-V92 PolarHBondContact O-N 3.3Å; V92-L94 PolarHBondContact O-N 2.94Å; V92-L94 VanDerWaalsContact O-N 3.14Å; V92-G95 PolarHBondContact O-N 3.46Å; V92-P199 HydrophobicContact CG1-CB 3.53Å; V92-A201 HydrophobicContact CG2-CB 3.69Å; V92-P339 HydrophobicContact CB-CG 4.17Å; V92-P339 HydrophobicContact CG1-CG 4.26Å; V92-P339 HydrophobicContact CG2-CG 4.14Å
93	V	95	Very high	90.7	Very high	125 Å²	125	39.3 Å²	39.3	76%	0.758	19%	0.191	S	C	*	.	H	α-helix	trans	-61.9	-19.9	176.4	163.4	0	0	0	0	112.7	E89 G95	E89-V93 VanDerWaalsContact O-CB 3.31Å; E89-V93 WeakPolarHBondContact O-CB 3.23Å; E89-V93 WeakPolarHBondContact O-CG2 3.41Å; E89-V93 PolarHBondContact O-N 2.86Å; V93-G95 PolarHBondContact O-N 2.89Å; V93-G95 VanDerWaalsContact O-N 3.14Å
94	L	93	Very high	90.6	Very high	48 Å²	48	37.8 Å²	37.8	25%	0.251	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-15.8	170.7	-56	-179.3	0	0	0	112.7	L91 V92 R97 L107 A108 L111	L91-L94 HydrophobicContact CD1-CD1 4.34Å; L91-L94 VanDerWaalsContact O-CB 3.3Å; L91-L94 WeakPolarHBondContact O-CB 3.11Å; L91-L94 WeakPolarHBondContact O-CG 3.44Å; L91-L94 PolarHBondContact O-N 3.01Å; V92-L94 PolarHBondContact O-N 2.94Å; V92-L94 VanDerWaalsContact O-N 3.14Å; L94-R97 HydrophobicContact CB-CG 4.42Å; L94-L107 HydrophobicContact CD1-CB 3.86Å; L94-L107 HydrophobicContact CD2-CB 4.02Å; L94-L107 HydrophobicContact CD2-CD1 4.15Å; L94-A108 HydrophobicContact CD1-CB 3.97Å; L94-L111 HydrophobicContact CD1-CD2 4.23Å
95	G	88.1	Confident	90.2	Very high	20 Å²	20	38.2 Å²	38.2	21%	0.206	19%	0.187	C	C	.	.			trans	83.4	-161.6	-174.5	0	0	0	0	0	111.9	V92 V93 R97	V92-G95 PolarHBondContact O-N 3.46Å; V93-G95 PolarHBondContact O-N 2.89Å; V93-G95 VanDerWaalsContact O-N 3.14Å; G95-R97 WeakPolarHBondContact O-CG 3.32Å; G95-R97 PolarHBondContact O-N 3.42Å; G95-R97 PolarHBondContact O-NH1 2.67Å
96	P	86.3	Confident	90	Very high	37 Å²	37	40.6 Å²	40.6	24%	0.24	20%	0.2	C	C	.	.			trans	-58.9	132.2	174.2	-24	34.7	0	0	0	112.3	P98 S198	P96-P98 WeakPolarHBondContact O-CD 3.3Å; P96-S198 WeakPolarHBondContact CA-O 3.35Å; P96-S198 VanDerWaalsContact CB-O 3.32Å; P96-S198 WeakPolarHBondContact CB-O 3.32Å
97	R	90.2	Very high	90	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.			trans	-120.7	52.3	-178.6	-60	170.9	-57.7	-71.8	-0.6	111.5	L91 L94 G95 S99 E103 C104 F192 D193 S194 P199 G200	L91-R97 PolarHBondContact O-NH1 3.12Å; L94-R97 HydrophobicContact CB-CG 4.42Å; G95-R97 WeakPolarHBondContact O-CG 3.32Å; G95-R97 PolarHBondContact O-N 3.42Å; G95-R97 PolarHBondContact O-NH1 2.67Å; R97-S99 PolarHBondContact O-N 3.25Å; R97-E103 HydrophobicContact CG-CB 4.02Å; R97-C104 HydrophobicContact CB-CB 4.04Å; R97-C104 WeakPolarHBondContact O-CB 3.5Å; R97-F192 PolarHBondContact NE-O 3.02Å; R97-D193 WeakPolarHBondContact O-CA 3.46Å; R97-D193 WeakPolarHBondContact O-CB 3.21Å; R97-S194 PolarHBondContact N-OG 2.73Å; R97-S194 PolarHBondContact O-N 3.34Å; R97-S194 VanDerWaalsContact O-N 3.09Å; R97-P199 PolarHBondContact NH1-O 2.83Å; R97-P199 PolarHBondContact NH2-O 3.37Å; R97-G200 PolarHBondContact NH2-O 2.77Å
98	P	83.7	Confident	90	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.19	C	C	.	.			trans	-66.1	131.6	177.6	30.4	-35.9	0	0	0	110.1	P96 G100 S101 S194 P196 L831 K872	P96-P98 WeakPolarHBondContact O-CD 3.3Å; P98-G100 PolarHBondContact O-N 2.65Å; P98-G100 VanDerWaalsContact O-N 3.09Å; P98-S101 WeakPolarHBondContact O-CB 3.49Å; P98-S101 PolarHBondContact O-N 2.8Å; P98-S194 WeakPolarHBondContact CA-O 3.23Å; P98-S194 VanDerWaalsContact CB-O 3.3Å; P98-S194 WeakPolarHBondContact CB-O 3.32Å; P98-P196 HydrophobicContact CB-CG 4.31Å; P98-L831 HydrophobicContact CG-CD1 3.91Å; P98-K872 VanDerWaalsContact C-NZ 3.33Å; P98-K872 VanDerWaalsContact CB-NZ 3.26Å; P98-K872 PolarHBondContact O-NZ 2.96Å
99	S	84.5	Confident	90	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.014	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.4	118.8	176.6	-169.3	0	0	0	0	110.3	R97 G235 A236 K872	R97-S99 PolarHBondContact O-N 3.25Å; S99-G235 WeakPolarHBondContact CB-O 3.5Å; S99-G235 PolarHBondContact OG-O 2.96Å; S99-A236 VanDerWaalsContact OG-CB 3.28Å; S99-A236 WeakPolarHBondContact OG-CB 3.34Å; S99-K872 PolarHBondContact O-NZ 3.39Å
100	G	76.6	Confident	90.1	Very high	7 Å²	7	35.2 Å²	35.2	7%	0.072	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	129.2	-40	-161.8	0	0	0	0	0	115.2	P98 V827 H828 G829	P98-G100 PolarHBondContact O-N 2.65Å; P98-G100 VanDerWaalsContact O-N 3.09Å; G100-V827 VanDerWaalsContact CA-CB 3.43Å; G100-V827 VanDerWaalsContact CA-CG2 3.47Å; G100-V827 CarbonylContact O-C 3.59Å; G100-H828 WeakPolarHBondContact O-CA 3.2Å; G100-H828 PolarHBondContact O-N 2.92Å; G100-G829 PolarHBondContact O-N 3.13Å
101	S	78.1	Confident	90.1	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.007	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-87.4	156.4	-162.6	88.4	0	0	0	0	111.5	P98 E103 C104 E105	P98-S101 WeakPolarHBondContact O-CB 3.49Å; P98-S101 PolarHBondContact O-N 2.8Å; S101-E103 WeakPolarHBondContact CB-OE2 3.23Å; S101-E103 PolarHBondContact O-N 3.46Å; S101-E103 PolarHBondContact OG-N 3.22Å; S101-E103 PolarHBondContact OG-OE2 2.91Å; S101-C104 PolarHBondContact O-N 3.38Å; S101-C104 PolarHBondContact OG-N 3.43Å; S101-C104 VanDerWaalsContact OG-N 3.12Å; S101-E105 WeakPolarHBondContact O-CB 3.43Å; S101-E105 WeakPolarHBondContact O-CG 3.49Å; S101-E105 PolarHBondContact O-N 2.97Å
102	Y	84.6	Confident	90.2	Very high	128 Å²	128	32.3 Å²	32.3	50%	0.502	18%	0.18	S	C	.	.	H	α-helix	trans	-58.3	-36.2	172.8	179	-104.2	0	0	0	111.1	Q106 L107	Y102-Q106 HydrophobicContact CD2-CB 3.8Å; Y102-Q106 HydrophobicContact CD2-CG 3.58Å; Y102-Q106 HydrophobicContact CE2-CB 3.63Å; Y102-Q106 HydrophobicContact CE2-CG 3.64Å; Y102-Q106 HydrophobicContact CG-CB 4.44Å; Y102-Q106 WeakPolarHBondContact O-CA 3.46Å; Y102-Q106 VanDerWaalsContact O-CB 3.31Å; Y102-Q106 WeakPolarHBondContact O-CB 3.32Å; Y102-Q106 PolarHBondContact O-N 3.43Å; Y102-L107 HydrophobicContact CD1-CD1 3.96Å; Y102-L107 HydrophobicContact CD1-CD2 4.42Å; Y102-L107 HydrophobicContact CD1-CG 3.93Å; Y102-L107 HydrophobicContact CE1-CD1 3.82Å; Y102-L107 HydrophobicContact CE1-CD2 3.62Å; Y102-L107 HydrophobicContact CE1-CG 3.63Å; Y102-L107 PolarHBondContact O-N 2.99Å; Y102-L107 VanDerWaalsContact O-N 3.1Å
103	E	89	Confident	90.3	Very high	40 Å²	40	34.2 Å²	34.2	19%	0.187	19%	0.189	C	C	.	.	I	π-helix	trans	-62.9	-40.8	177.4	-57.4	76.8	-171	0	0	112.1	R97 S101 L107 A108	R97-E103 HydrophobicContact CG-CB 4.02Å; S101-E103 WeakPolarHBondContact CB-OE2 3.23Å; S101-E103 PolarHBondContact O-N 3.46Å; S101-E103 PolarHBondContact OG-N 3.22Å; S101-E103 PolarHBondContact OG-OE2 2.91Å; E103-L107 HydrophobicContact CG-CD1 4.43Å; E103-A108 VanDerWaalsContact O-CB 3.24Å; E103-A108 WeakPolarHBondContact O-CB 3.31Å; E103-A108 PolarHBondContact O-N 2.77Å
104	C	89.6	Confident	90.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.173	C	C	.	.	I	π-helix	trans	-74.8	-58.7	176.2	-174.5	0	0	0	0	111.9	R97 S101 Q106 T109 F192	R97-C104 HydrophobicContact CB-CB 4.04Å; R97-C104 WeakPolarHBondContact O-CB 3.5Å; S101-C104 PolarHBondContact O-N 3.38Å; S101-C104 PolarHBondContact OG-N 3.43Å; S101-C104 VanDerWaalsContact OG-N 3.12Å; C104-Q106 PolarHBondContact O-N 3.44Å; C104-T109 PolarHBondContact O-N 3.18Å; C104-T109 PolarHBondContact O-OG1 2.83Å; C104-T109 VanDerWaalsContact O-OG1 3.07Å; C104-F192 WeakPolarHBondContact O-CE2 3.2Å; C104-F192 WeakPolarHBondContact SG-CE2 3.34Å
105	E	87.4	Confident	90.7	Very high	12 Å²	12	30.4 Å²	30.4	6%	0.056	17%	0.165	C	C	.	.	I	π-helix	trans	-74.4	-28.8	-167.2	-60.7	-52.9	129.7	0	0	114.3	S101 T109 T170 V827	S101-E105 WeakPolarHBondContact O-CB 3.43Å; S101-E105 WeakPolarHBondContact O-CG 3.49Å; S101-E105 PolarHBondContact O-N 2.97Å; E105-T109 WeakPolarHBondContact O-CB 3.27Å; E105-T109 PolarHBondContact O-OG1 3.41Å; E105-T170 WeakPolarHBondContact OE2-CB 3.24Å; E105-T170 PolarHBondContact OE2-OG1 2.86Å; E105-V827 HydrophobicContact CG-CG1 3.14Å; E105-V827 WeakPolarHBondContact OE1-CG1 3.32Å
106	Q	90.9	Very high	91.1	Very high	91 Å²	91	29.6 Å²	29.6	43%	0.425	16%	0.156	S	C	.	.	I	π-helix	trans	-111.8	-59.1	-176.3	-56.3	-63.8	-37.2	0	0	110.5	Y102 C104 A110	Y102-Q106 HydrophobicContact CD2-CB 3.8Å; Y102-Q106 HydrophobicContact CD2-CG 3.58Å; Y102-Q106 HydrophobicContact CE2-CB 3.63Å; Y102-Q106 HydrophobicContact CE2-CG 3.64Å; Y102-Q106 HydrophobicContact CG-CB 4.44Å; Y102-Q106 WeakPolarHBondContact O-CA 3.46Å; Y102-Q106 VanDerWaalsContact O-CB 3.31Å; Y102-Q106 WeakPolarHBondContact O-CB 3.32Å; Y102-Q106 PolarHBondContact O-N 3.43Å; C104-Q106 PolarHBondContact O-N 3.44Å; Q106-A110 WeakPolarHBondContact O-CB 3.25Å; Q106-A110 PolarHBondContact O-N 3.22Å
107	L	95.1	Very high	91.6	Very high	60 Å²	60	30.4 Å²	30.4	31%	0.314	17%	0.165	S	C	.	.	I	π-helix	trans	-72	-51.8	-170.7	-58.2	-177.2	0	0	0	112.8	L94 Y102 E103 A110 L111	L94-L107 HydrophobicContact CD1-CB 3.86Å; L94-L107 HydrophobicContact CD2-CB 4.02Å; L94-L107 HydrophobicContact CD2-CD1 4.15Å; Y102-L107 HydrophobicContact CD1-CD1 3.96Å; Y102-L107 HydrophobicContact CD1-CD2 4.42Å; Y102-L107 HydrophobicContact CD1-CG 3.93Å; Y102-L107 HydrophobicContact CE1-CD1 3.82Å; Y102-L107 HydrophobicContact CE1-CD2 3.62Å; Y102-L107 HydrophobicContact CE1-CG 3.63Å; Y102-L107 PolarHBondContact O-N 2.99Å; Y102-L107 VanDerWaalsContact O-N 3.1Å; E103-L107 HydrophobicContact CG-CD1 4.43Å; L107-A110 PolarHBondContact O-N 2.92Å; L107-L111 VanDerWaalsContact O-CB 3.24Å; L107-L111 WeakPolarHBondContact O-CB 3.42Å; L107-L111 PolarHBondContact O-N 3.5Å
108	A	96.4	Very high	91.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.182	C	C	.	.	I	π-helix	trans	-67.4	-43.5	-179.2	0	0	0	0	0	111.5	L91 L94 E103 A110 L111 I112 F192	L91-A108 HydrophobicContact CD1-CB 3.79Å; L94-A108 HydrophobicContact CD1-CB 3.97Å; E103-A108 VanDerWaalsContact O-CB 3.24Å; E103-A108 WeakPolarHBondContact O-CB 3.31Å; E103-A108 PolarHBondContact O-N 2.77Å; A108-A110 PolarHBondContact O-N 2.9Å; A108-L111 PolarHBondContact O-N 2.8Å; A108-I112 WeakPolarHBondContact O-CG1 3.36Å; A108-I112 PolarHBondContact O-N 3.06Å; A108-F192 HydrophobicContact CB-CD2 3.83Å; A108-F192 HydrophobicContact CB-CE2 4.19Å
109	T	96.6	Very high	92.3	Very high	7 Å²	7	34.2 Å²	34.2	4%	0.043	18%	0.182	C	C	.	.	H	α-helix	trans	-56.9	-48.1	173.4	-62.6	0	0	0	0	111.5	C104 E105 L111 I112 L113 V147 T170 V172	C104-T109 PolarHBondContact O-N 3.18Å; C104-T109 PolarHBondContact O-OG1 2.83Å; C104-T109 VanDerWaalsContact O-OG1 3.07Å; E105-T109 WeakPolarHBondContact O-CB 3.27Å; E105-T109 PolarHBondContact O-OG1 3.41Å; T109-L111 PolarHBondContact O-N 2.9Å; T109-I112 PolarHBondContact O-N 3.43Å; T109-L113 HydrophobicContact CG2-CD1 4.08Å; T109-L113 WeakPolarHBondContact O-CB 3.27Å; T109-L113 VanDerWaalsContact O-CG 3.3Å; T109-L113 WeakPolarHBondContact O-CG 3.38Å; T109-L113 PolarHBondContact O-N 3.21Å; T109-V147 HydrophobicContact CG2-CG2 4.27Å; T109-T170 HydrophobicContact CG2-CG2 4.16Å; T109-V172 HydrophobicContact CG2-CG2 3.89Å
110	A	97.4	Very high	92.7	Very high	54 Å²	54	37.9 Å²	37.9	45%	0.446	20%	0.197	S	C	.	.	H	α-helix	trans	-64.9	-38.9	177.1	0	0	0	0	0	112.4	Q106 L107 A108 L113 D114	Q106-A110 WeakPolarHBondContact O-CB 3.25Å; Q106-A110 PolarHBondContact O-N 3.22Å; L107-A110 PolarHBondContact O-N 2.92Å; A108-A110 PolarHBondContact O-N 2.9Å; A110-L113 PolarHBondContact O-N 3.24Å; A110-D114 WeakPolarHBondContact O-CB 3.1Å; A110-D114 PolarHBondContact O-N 3.08Å
111	L	98	Very high	93.3	Very high	31 Å²	31	42.8 Å²	42.8	16%	0.162	22%	0.222	C	C	.	.	H	α-helix	trans	-63.5	-44.3	178.6	-179.1	64.6	0	0	0	111.8	F87 K90 L91 L94 L107 A108 T109 D114 E115	F87-L111 HydrophobicContact CE2-CD2 4.22Å; F87-L111 HydrophobicContact CE2-CG 3.85Å; F87-L111 HydrophobicContact CZ-CD2 4.48Å; F87-L111 HydrophobicContact CZ-CG 4.39Å; K90-L111 HydrophobicContact CB-CD1 4.19Å; K90-L111 HydrophobicContact CB-CD2 3.87Å; K90-L111 HydrophobicContact CD-CD1 4.25Å; L91-L111 HydrophobicContact CB-CD2 4.13Å; L91-L111 HydrophobicContact CD1-CD2 4.28Å; L94-L111 HydrophobicContact CD1-CD2 4.23Å; L107-L111 VanDerWaalsContact O-CB 3.24Å; L107-L111 WeakPolarHBondContact O-CB 3.42Å; L107-L111 PolarHBondContact O-N 3.5Å; A108-L111 PolarHBondContact O-N 2.8Å; T109-L111 PolarHBondContact O-N 2.9Å; L111-D114 PolarHBondContact O-N 3.36Å; L111-E115 WeakPolarHBondContact O-CG 3.39Å; L111-E115 PolarHBondContact O-N 3.16Å; L111-E115 VanDerWaalsContact O-N 3.13Å
112	I	98.4	Very high	93.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.8	-48.6	174.7	-67.2	165	0	0	0	109.9	F87 A108 T109 D114 E115 V116 V172 F192 F233	F87-I112 HydrophobicContact CZ-CG1 3.8Å; A108-I112 WeakPolarHBondContact O-CG1 3.36Å; A108-I112 PolarHBondContact O-N 3.06Å; T109-I112 PolarHBondContact O-N 3.43Å; I112-D114 VanDerWaalsContact C-N 3.35Å; I112-D114 PolarHBondContact O-N 3.23Å; I112-E115 PolarHBondContact O-N 2.87Å; I112-V116 HydrophobicContact CG2-CG2 4.35Å; I112-V116 VanDerWaalsContact O-CG2 3.25Å; I112-V116 WeakPolarHBondContact O-CG2 3.46Å; I112-V116 PolarHBondContact O-N 2.59Å; I112-V172 HydrophobicContact CG2-CB 4.33Å; I112-V172 HydrophobicContact CG2-CG1 3.98Å; I112-F192 HydrophobicContact CD1-CB 3.79Å; I112-F192 HydrophobicContact CD1-CD1 3.84Å; I112-F192 HydrophobicContact CD1-CD2 4.26Å; I112-F192 HydrophobicContact CD1-CE1 4.47Å; I112-F192 HydrophobicContact CD1-CG 3.7Å; I112-F233 HydrophobicContact CD1-CB 4.15Å; I112-F233 HydrophobicContact CD1-CD1 4.34Å; I112-F233 HydrophobicContact CD1-CG 4.36Å; I112-F233 HydrophobicContact CG2-CD1 4.38Å; I112-F233 HydrophobicContact CG2-CD2 4.01Å; I112-F233 HydrophobicContact CG2-CE2 4.25Å; I112-F233 HydrophobicContact CG2-CG 4.1Å
113	L	98.3	Very high	93.7	Very high	55 Å²	55	40 Å²	40	29%	0.288	22%	0.215	S	C	.	.	H	α-helix	trans	-62.3	-38.4	-179.9	-72.7	170.2	0	0	0	113	T109 A110 V116 A117 A145 V147 V172	T109-L113 HydrophobicContact CG2-CD1 4.08Å; T109-L113 WeakPolarHBondContact O-CB 3.27Å; T109-L113 VanDerWaalsContact O-CG 3.3Å; T109-L113 WeakPolarHBondContact O-CG 3.38Å; T109-L113 PolarHBondContact O-N 3.21Å; A110-L113 PolarHBondContact O-N 3.24Å; L113-V116 PolarHBondContact O-N 3.15Å; L113-A117 WeakPolarHBondContact O-CB 3.42Å; L113-A117 PolarHBondContact O-N 2.91Å; L113-A145 HydrophobicContact CD2-CB 4.29Å; L113-V147 HydrophobicContact CD1-CG2 3.78Å; L113-V147 HydrophobicContact CD2-CG2 4.37Å; L113-V172 HydrophobicContact CD2-CG1 3.77Å; L113-V172 HydrophobicContact CG-CG1 4.29Å
114	D	97.8	Very high	93.5	Very high	77 Å²	77	41.6 Å²	41.6	41%	0.412	22%	0.224	S	C	.	.	H	α-helix	trans	-64.4	-42.7	176	177.2	56.6	0	0	0	111.6	A110 L111 I112 A117 K118	A110-D114 WeakPolarHBondContact O-CB 3.1Å; A110-D114 PolarHBondContact O-N 3.08Å; L111-D114 PolarHBondContact O-N 3.36Å; I112-D114 VanDerWaalsContact C-N 3.35Å; I112-D114 PolarHBondContact O-N 3.23Å; D114-A117 WeakPolarHBondContact O-CB 3.48Å; D114-A117 PolarHBondContact O-N 2.91Å; D114-K118 WeakPolarHBondContact O-CG 3.26Å; D114-K118 PolarHBondContact O-N 3.19Å; D114-K118 WeakPolarHBondContact OD2-CE 3.4Å; D114-K118 IonicContact OD2-NZ 2.93Å; D114-K118 PolarHBondContact OD2-NZ 2.77Å
115	E	97.1	Very high	93.1	Very high	17 Å²	17	46.1 Å²	46.1	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-69.2	-36.9	176.7	-68.6	-72.1	163	0	0	112.3	F87 K90 L111 I112 A117 K118 I119 L212	F87-E115 HydrophobicContact CD2-CB 4.25Å; F87-E115 HydrophobicContact CD2-CG 3.64Å; F87-E115 HydrophobicContact CE2-CB 4.13Å; F87-E115 HydrophobicContact CE2-CG 3.72Å; K90-E115 IonicContact NZ-OE1 3.83Å; K90-E115 PolarHBondContact NZ-OE1 3.28Å; L111-E115 WeakPolarHBondContact O-CG 3.39Å; L111-E115 PolarHBondContact O-N 3.16Å; L111-E115 VanDerWaalsContact O-N 3.13Å; I112-E115 PolarHBondContact O-N 2.87Å; E115-A117 VanDerWaalsContact C-N 3.34Å; E115-K118 PolarHBondContact O-N 3.09Å; E115-K118 IonicContact OE1-NZ 2.6Å; E115-K118 PolarHBondContact OE1-NZ 3.23Å; E115-I119 VanDerWaalsContact O-CG1 3.3Å; E115-I119 WeakPolarHBondContact O-CG1 3.25Å; E115-I119 PolarHBondContact O-N 3.31Å; E115-L212 HydrophobicContact CB-CD1 4.35Å
116	V	97.8	Very high	92.6	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.018	25%	0.253	C	S	.	.	H	α-helix	trans	-62.8	-40.9	170.2	173.8	0	0	0	0	111	I112 L113 I119 K120 I143 A145 V174 L212 L215	I112-V116 HydrophobicContact CG2-CG2 4.35Å; I112-V116 VanDerWaalsContact O-CG2 3.25Å; I112-V116 WeakPolarHBondContact O-CG2 3.46Å; I112-V116 PolarHBondContact O-N 2.59Å; L113-V116 PolarHBondContact O-N 3.15Å; V116-I119 PolarHBondContact O-N 2.91Å; V116-K120 VanDerWaalsContact O-CB 3.28Å; V116-K120 WeakPolarHBondContact O-CB 3.44Å; V116-K120 PolarHBondContact O-N 3.38Å; V116-I143 HydrophobicContact CG1-CG2 3.98Å; V116-A145 HydrophobicContact CG1-CB 3.88Å; V116-V174 HydrophobicContact CG1-CG1 3.88Å; V116-V174 HydrophobicContact CG1-CG2 4.1Å; V116-V174 HydrophobicContact CG2-CG2 3.82Å; V116-L212 HydrophobicContact CG2-CD2 3.69Å; V116-L215 HydrophobicContact CG1-CD2 4.45Å; V116-L215 HydrophobicContact CG2-CD2 4.18Å
117	A	97	Very high	91.9	Very high	54 Å²	54	42.5 Å²	42.5	45%	0.446	23%	0.234	S	C	.	.	H	α-helix	trans	-64.1	-40.2	176.8	0	0	0	0	0	112	L113 D114 E115 K120 L121	L113-A117 WeakPolarHBondContact O-CB 3.42Å; L113-A117 PolarHBondContact O-N 2.91Å; D114-A117 WeakPolarHBondContact O-CB 3.48Å; D114-A117 PolarHBondContact O-N 2.91Å; E115-A117 VanDerWaalsContact C-N 3.34Å; A117-K120 PolarHBondContact O-N 3.42Å; A117-L121 WeakPolarHBondContact O-CB 3.38Å; A117-L121 PolarHBondContact O-N 3.18Å
118	K	93.9	Very high	90.9	Very high	79 Å²	79	42.2 Å²	42.2	34%	0.343	24%	0.237	S	C	.	.	H	α-helix	trans	-62.2	-45.3	172.7	-70.9	164.8	-178.3	154.5	0	112	D114 E115 K120 L121 I122	D114-K118 WeakPolarHBondContact O-CG 3.26Å; D114-K118 PolarHBondContact O-N 3.19Å; D114-K118 WeakPolarHBondContact OD2-CE 3.4Å; D114-K118 IonicContact OD2-NZ 2.93Å; D114-K118 PolarHBondContact OD2-NZ 2.77Å; E115-K118 PolarHBondContact O-N 3.09Å; E115-K118 IonicContact OE1-NZ 2.6Å; E115-K118 PolarHBondContact OE1-NZ 3.23Å; K118-K120 VanDerWaalsContact C-N 3.34Å; K118-L121 PolarHBondContact O-N 3.02Å; K118-I122 WeakPolarHBondContact O-CG1 3.1Å; K118-I122 PolarHBondContact O-N 3.07Å
119	I	93.2	Very high	89.9	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-63.1	-43.9	176.7	-66.3	161.8	0	0	0	110.4	E115 V116 L121 I122 C123 I143 L212 L215 R216	E115-I119 VanDerWaalsContact O-CG1 3.3Å; E115-I119 WeakPolarHBondContact O-CG1 3.25Å; E115-I119 PolarHBondContact O-N 3.31Å; V116-I119 PolarHBondContact O-N 2.91Å; I119-L121 PolarHBondContact O-N 3.22Å; I119-I122 PolarHBondContact O-N 2.88Å; I119-C123 WeakPolarHBondContact O-CB 3.37Å; I119-C123 PolarHBondContact O-N 2.99Å; I119-I143 HydrophobicContact CG2-CD1 3.94Å; I119-L212 HydrophobicContact CD1-CD2 4.4Å; I119-L212 WeakPolarHBondContact CD1-O 3.26Å; I119-L215 HydrophobicContact CD1-CD2 4.1Å; I119-L215 HydrophobicContact CD1-CG 4.33Å; I119-L215 HydrophobicContact CG2-CG 4.12Å; I119-R216 HydrophobicContact CD1-CB 4.25Å; I119-R216 HydrophobicContact CG1-CB 4.17Å; I119-R216 HydrophobicContact CG1-CG 4.45Å; I119-R216 HydrophobicContact CG2-CB 4.32Å
120	K	92.9	Very high	88.7	Confident	78 Å²	78	46.5 Å²	46.5	34%	0.339	26%	0.259	S	S	.	.	H	α-helix	trans	-58.8	-45.3	176.5	176.9	172.5	177.7	164.2	0	112.5	V116 A117 K118 I122 C123 D124 I143	V116-K120 VanDerWaalsContact O-CB 3.28Å; V116-K120 WeakPolarHBondContact O-CB 3.44Å; V116-K120 PolarHBondContact O-N 3.38Å; A117-K120 PolarHBondContact O-N 3.42Å; K118-K120 VanDerWaalsContact C-N 3.34Å; K120-I122 VanDerWaalsContact C-N 3.31Å; K120-I122 PolarHBondContact O-N 3.36Å; K120-C123 WeakPolarHBondContact O-CB 3.27Å; K120-C123 PolarHBondContact O-N 2.81Å; K120-D124 WeakPolarHBondContact O-CB 3.44Å; K120-D124 VanDerWaalsContact O-CG 3.31Å; K120-D124 PolarHBondContact O-N 3.22Å; K120-I143 HydrophobicContact CB-CB 4.17Å; K120-I143 HydrophobicContact CB-CD1 4.3Å; K120-I143 HydrophobicContact CB-CG2 4.29Å; K120-I143 HydrophobicContact CD-CB 4.28Å; K120-I143 HydrophobicContact CD-CG2 4.45Å; K120-I143 WeakPolarHBondContact CE-O 3.46Å; K120-I143 HydrophobicContact CG-CB 4.16Å; K120-I143 PolarHBondContact NZ-O 3.31Å
121	L	90.3	Very high	87.5	Confident	111 Å²	111	45.2 Å²	45.2	58%	0.581	25%	0.245	S	C	*	.	H	α-helix	trans	-55.6	-49.5	175.7	-175.1	72.6	0	0	0	110.4	A117 K118 I119 C123 D124 L125	A117-L121 WeakPolarHBondContact O-CB 3.38Å; A117-L121 PolarHBondContact O-N 3.18Å; K118-L121 PolarHBondContact O-N 3.02Å; I119-L121 PolarHBondContact O-N 3.22Å; L121-C123 PolarHBondContact O-N 2.86Å; L121-D124 PolarHBondContact O-N 2.88Å; L121-L125 HydrophobicContact CD1-CD1 3.88Å; L121-L125 HydrophobicContact CG-CD1 3.83Å; L121-L125 WeakPolarHBondContact O-CD1 3.45Å; L121-L125 PolarHBondContact O-N 2.89Å
122	I	85.9	Confident	86.5	Confident	71 Å²	71	54 Å²	54	36%	0.364	28%	0.276	S	S	.	.	H	α-helix	trans	-61.4	-45.4	178.1	-64.1	166	0	0	0	111	K118 I119 K120 D124 L125 S126	K118-I122 WeakPolarHBondContact O-CG1 3.1Å; K118-I122 PolarHBondContact O-N 3.07Å; I119-I122 PolarHBondContact O-N 2.88Å; K120-I122 VanDerWaalsContact C-N 3.31Å; K120-I122 PolarHBondContact O-N 3.36Å; I122-D124 VanDerWaalsContact C-N 3.35Å; I122-D124 PolarHBondContact O-N 3.48Å; I122-L125 PolarHBondContact O-N 2.86Å; I122-S126 WeakPolarHBondContact O-CB 3.49Å; I122-S126 PolarHBondContact O-N 2.71Å; I122-S126 PolarHBondContact O-OG 3.34Å
123	C	85.4	Confident	85.5	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-57.9	-44.3	177.3	176.2	0	0	0	0	112.5	I119 K120 L121 S127 I143	I119-C123 WeakPolarHBondContact O-CB 3.37Å; I119-C123 PolarHBondContact O-N 2.99Å; K120-C123 WeakPolarHBondContact O-CB 3.27Å; K120-C123 PolarHBondContact O-N 2.81Å; L121-C123 PolarHBondContact O-N 2.86Å; C123-S127 WeakPolarHBondContact O-CB 3.45Å; C123-S127 PolarHBondContact O-N 3.36Å; C123-S127 PolarHBondContact O-OG 3.42Å; C123-I143 HydrophobicContact CB-CD1 3.98Å
124	D	84.9	Confident	84.4	Confident	72 Å²	72	64.1 Å²	64.1	39%	0.385	32%	0.323	S	S	.	.	H	α-helix	trans	-67.4	-41	179.3	-70.1	-19.9	0	0	0	110.9	K120 L121 I122 S128	K120-D124 WeakPolarHBondContact O-CB 3.44Å; K120-D124 VanDerWaalsContact O-CG 3.31Å; K120-D124 PolarHBondContact O-N 3.22Å; L121-D124 PolarHBondContact O-N 2.88Å; I122-D124 VanDerWaalsContact C-N 3.35Å; I122-D124 PolarHBondContact O-N 3.48Å; D124-S128 WeakPolarHBondContact O-CB 3.43Å; D124-S128 PolarHBondContact O-N 2.86Å
125	L	81.3	Confident	83.1	Confident	96 Å²	96	64.9 Å²	64.9	50%	0.503	34%	0.34	S	S	.	.	H	α-helix	trans	-63.1	-52.6	173.9	-89	87.7	0	0	0	111.7	L121 I122 S127 S128 I129	L121-L125 HydrophobicContact CD1-CD1 3.88Å; L121-L125 HydrophobicContact CG-CD1 3.83Å; L121-L125 WeakPolarHBondContact O-CD1 3.45Å; L121-L125 PolarHBondContact O-N 2.89Å; I122-L125 PolarHBondContact O-N 2.86Å; L125-S127 VanDerWaalsContact C-N 3.33Å; L125-S127 PolarHBondContact O-N 2.86Å; L125-S128 WeakPolarHBondContact O-CB 3.36Å; L125-S128 PolarHBondContact O-N 3.47Å; L125-S128 VanDerWaalsContact O-N 3.1Å; L125-S128 PolarHBondContact O-OG 3.48Å; L125-I129 WeakPolarHBondContact O-CG1 3.27Å; L125-I129 PolarHBondContact O-N 3.26Å; L125-I129 VanDerWaalsContact O-N 3.09Å
126	S	77.1	Confident	81.5	Confident	24 Å²	24	67.6 Å²	67.6	17%	0.168	36%	0.355	C	S	.	.	H	α-helix	trans	-59.4	-44.3	179.1	-65.5	0	0	0	0	111.4	I122 S128 I129 I130	I122-S126 WeakPolarHBondContact O-CB 3.49Å; I122-S126 PolarHBondContact O-N 2.71Å; I122-S126 PolarHBondContact O-OG 3.34Å; S126-S128 VanDerWaalsContact C-N 3.3Å; S126-S128 PolarHBondContact O-N 2.78Å; S126-I129 PolarHBondContact O-N 3.48Å; S126-I130 WeakPolarHBondContact O-CD1 3.07Å; S126-I130 VanDerWaalsContact O-CG1 3.25Å; S126-I130 WeakPolarHBondContact O-CG1 3.28Å; S126-I130 PolarHBondContact O-N 2.72Å
127	S	75.1	Confident	79.9	Confident	2 Å²	2	72.2 Å²	72.2	1%	0.014	39%	0.394	C	S	.	.	H	α-helix	trans	-59.3	-42.6	175.2	-66.3	0	0	0	0	111.3	C123 L125 I129 I130 T131 P139	C123-S127 WeakPolarHBondContact O-CB 3.45Å; C123-S127 PolarHBondContact O-N 3.36Å; C123-S127 PolarHBondContact O-OG 3.42Å; L125-S127 VanDerWaalsContact C-N 3.33Å; L125-S127 PolarHBondContact O-N 2.86Å; S127-I129 VanDerWaalsContact C-N 3.32Å; S127-I129 PolarHBondContact O-N 3.48Å; S127-I130 PolarHBondContact O-N 3.45Å; S127-T131 WeakPolarHBondContact O-CB 3.21Å; S127-T131 PolarHBondContact O-N 2.93Å; S127-T131 PolarHBondContact O-OG1 2.72Å; S127-P139 VanDerWaalsContact CB-CB 3.49Å
128	S	75.4	Confident	78.5	Confident	54 Å²	54	77.2 Å²	77.2	38%	0.378	41%	0.405	S	S	.	.	H	α-helix	trans	-62.9	-35.9	178.3	79.2	0	0	0	0	113.4	D124 L125 S126 R132	D124-S128 WeakPolarHBondContact O-CB 3.43Å; D124-S128 PolarHBondContact O-N 2.86Å; L125-S128 WeakPolarHBondContact O-CB 3.36Å; L125-S128 PolarHBondContact O-N 3.47Å; L125-S128 VanDerWaalsContact O-N 3.1Å; L125-S128 PolarHBondContact O-OG 3.48Å; S126-S128 VanDerWaalsContact C-N 3.3Å; S126-S128 PolarHBondContact O-N 2.78Å; S128-R132 VanDerWaalsContact O-CG 3.29Å; S128-R132 WeakPolarHBondContact O-CG 3.43Å; S128-R132 PolarHBondContact O-N 3.34Å
129	I	75.1	Confident	77.4	Confident	86 Å²	86	77 Å²	77	44%	0.441	41%	0.412	S	S	.	.	H	α-helix	trans	-68.4	-51.5	176	-65.6	166.5	0	0	0	109.5	L125 S126 S127 T131 R132 E133	L125-I129 WeakPolarHBondContact O-CG1 3.27Å; L125-I129 PolarHBondContact O-N 3.26Å; L125-I129 VanDerWaalsContact O-N 3.09Å; S126-I129 PolarHBondContact O-N 3.48Å; S127-I129 VanDerWaalsContact C-N 3.32Å; S127-I129 PolarHBondContact O-N 3.48Å; I129-T131 PolarHBondContact O-N 2.98Å; I129-R132 WeakPolarHBondContact O-CB 3.37Å; I129-R132 PolarHBondContact O-N 3.41Å; I129-R132 VanDerWaalsContact O-N 3.1Å; I129-E133 HydrophobicContact CG2-CG 4.41Å; I129-E133 PolarHBondContact O-N 3.15Å
130	I	71.1	Confident	76.9	Confident	12 Å²	12	77.6 Å²	77.6	6%	0.062	42%	0.416	C	S	.	.	H	α-helix	trans	-60.8	-44.9	-179.8	-64.4	159.1	0	0	0	111	S126 S127 R132 E133 M134 V140 N222	S126-I130 WeakPolarHBondContact O-CD1 3.07Å; S126-I130 VanDerWaalsContact O-CG1 3.25Å; S126-I130 WeakPolarHBondContact O-CG1 3.28Å; S126-I130 PolarHBondContact O-N 2.72Å; S127-I130 PolarHBondContact O-N 3.45Å; I130-R132 VanDerWaalsContact C-N 3.26Å; I130-R132 PolarHBondContact O-N 2.97Å; I130-E133 PolarHBondContact O-N 2.8Å; I130-M134 HydrophobicContact CG2-CG 4.11Å; I130-M134 HydrophobicContact CG2-SD 3.68Å; I130-M134 VanDerWaalsContact O-CB 3.28Å; I130-M134 WeakPolarHBondContact O-CB 3.46Å; I130-M134 PolarHBondContact O-N 3.4Å; I130-V140 HydrophobicContact CG2-CG2 3.92Å; I130-N222 HydrophobicContact CD1-CB 4.5Å; I130-N222 WeakPolarHBondContact CD1-OD1 3.36Å
131	T	71.8	Confident	76.8	Confident	27 Å²	27	74 Å²	74	17%	0.166	40%	0.4	C	S	.	.	H	α-helix	trans	-56.3	-41.3	176.1	-67.3	0	0	0	0	111.1	S127 I129 A135 I136 K138	S127-T131 WeakPolarHBondContact O-CB 3.21Å; S127-T131 PolarHBondContact O-N 2.93Å; S127-T131 PolarHBondContact O-OG1 2.72Å; I129-T131 PolarHBondContact O-N 2.98Å; T131-A135 WeakPolarHBondContact O-CA 3.13Å; T131-A135 PolarHBondContact O-N 3.25Å; T131-I136 WeakPolarHBondContact CG2-O 3.41Å; T131-I136 PolarHBondContact O-N 2.85Å; T131-I136 VanDerWaalsContact O-N 3.08Å; T131-K138 PolarHBondContact OG1-O 3.24Å; T131-K138 VanDerWaalsContact OG1-O 3.06Å
132	R	76.7	Confident	76.8	Confident	214 Å²	214	70.3 Å²	70.3	81%	0.808	38%	0.379	S	S	*	.	H	α-helix	trans	-69.7	-47.2	176.1	-74.9	174.3	177.8	-171.7	0.9	112.5	S128 I129 I130	S128-R132 VanDerWaalsContact O-CG 3.29Å; S128-R132 WeakPolarHBondContact O-CG 3.43Å; S128-R132 PolarHBondContact O-N 3.34Å; I129-R132 WeakPolarHBondContact O-CB 3.37Å; I129-R132 PolarHBondContact O-N 3.41Å; I129-R132 VanDerWaalsContact O-N 3.1Å; I130-R132 VanDerWaalsContact C-N 3.26Å; I130-R132 PolarHBondContact O-N 2.97Å
133	E	77.6	Confident	77.2	Confident	157 Å²	157	67.1 Å²	67.1	73%	0.734	36%	0.363	S	S	*	.	H	α-helix	trans	-69.1	-39.3	-177.4	-72	-178.6	168.2	0	0	112.8	I129 I130	I129-E133 HydrophobicContact CG2-CG 4.41Å; I129-E133 PolarHBondContact O-N 3.15Å; I130-E133 PolarHBondContact O-N 2.8Å
134	M	74.6	Confident	77.7	Confident	111 Å²	111	71.2 Å²	71.2	55%	0.547	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	2.6	-178.7	-64.4	-170	150.5	0	0	113.7	I130 I136	I130-M134 HydrophobicContact CG2-CG 4.11Å; I130-M134 HydrophobicContact CG2-SD 3.68Å; I130-M134 VanDerWaalsContact O-CB 3.28Å; I130-M134 WeakPolarHBondContact O-CB 3.46Å; I130-M134 PolarHBondContact O-N 3.4Å; M134-I136 HydrophobicContact CB-CD1 3.62Å; M134-I136 HydrophobicContact CB-CG1 3.68Å; M134-I136 HydrophobicContact CG-CD1 4.36Å; M134-I136 PolarHBondContact O-N 3.12Å; M134-I136 VanDerWaalsContact O-N 3.1Å; M134-I136 HydrophobicContact SD-CD1 3.84Å
135	A	70.4	Confident	78.3	Confident	93 Å²	93	69.6 Å²	69.6	77%	0.769	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	31.4	-174.2	0	0	0	0	0	113.8	T131	T131-A135 WeakPolarHBondContact O-CA 3.13Å; T131-A135 PolarHBondContact O-N 3.25Å
136	I	65	Low	79.1	Confident	74 Å²	74	68.4 Å²	68.4	38%	0.379	37%	0.37	S	S	.	.			trans	-80.3	140.9	176.5	-59.3	170.1	0	0	0	107.5	T131 M134 K138	T131-I136 WeakPolarHBondContact CG2-O 3.41Å; T131-I136 PolarHBondContact O-N 2.85Å; T131-I136 VanDerWaalsContact O-N 3.08Å; M134-I136 HydrophobicContact CB-CD1 3.62Å; M134-I136 HydrophobicContact CB-CG1 3.68Å; M134-I136 HydrophobicContact CG-CD1 4.36Å; M134-I136 PolarHBondContact O-N 3.12Å; M134-I136 VanDerWaalsContact O-N 3.1Å; M134-I136 HydrophobicContact SD-CD1 3.84Å; I136-K138 VanDerWaalsContact C-N 3.32Å; I136-K138 WeakPolarHBondContact CG2-O 3.29Å; I136-K138 PolarHBondContact O-N 2.83Å
137	A	63.2	Low	80	Confident	101 Å²	101	69.7 Å²	69.7	84%	0.835	38%	0.377	S	S	*	.	S	Bend	trans	-77.6	-12.8	-176.9	0	0	0	0	0	114.7
138	K	67.4	Low	81	Confident	158 Å²	158	70.7 Å²	70.7	69%	0.687	38%	0.381	S	S	*	.	S	Bend	trans	-138.4	150.6	-171.2	-68.2	-178.2	-178.7	175.8	0	111.3	T131 I136	T131-K138 PolarHBondContact OG1-O 3.24Å; T131-K138 VanDerWaalsContact OG1-O 3.06Å; I136-K138 VanDerWaalsContact C-N 3.32Å; I136-K138 WeakPolarHBondContact CG2-O 3.29Å; I136-K138 PolarHBondContact O-N 2.83Å
139	P	70.7	Confident	81.9	Confident	74 Å²	74	73.2 Å²	73.2	48%	0.481	38%	0.383	S	S	.	.			trans	-59.6	145.9	171.5	24.4	-32.4	0	0	0	110.7	S127	S127-P139 VanDerWaalsContact CB-CB 3.49Å
140	V	82.9	Confident	82.7	Confident	15 Å²	15	69.4 Å²	69.4	9%	0.091	36%	0.364	C	S	.	.	S	Bend	trans	-68.3	-42.2	-175.6	-177	0	0	0	0	111	I130 T178	I130-V140 HydrophobicContact CG2-CG2 3.92Å; V140-T178 WeakPolarHBondContact O-CB 3.43Å; V140-T178 WeakPolarHBondContact O-CG2 3.25Å
141	H	90.3	Very high	83.5	Confident	2 Å²	2	71.5 Å²	71.5	1%	0.009	38%	0.379	C	S	.	.			trans	-126.5	158.2	-177.3	-63.7	117.7	0	0	0	111.8	L176 G177 S219 K221 S223 L225	H141-L176 HydrophobicContact CB-CD1 4.06Å; H141-G177 CarbonylContact C-O 3.56Å; H141-G177 VanDerWaalsContact CA-O 3.3Å; H141-G177 WeakPolarHBondContact CA-O 3.46Å; H141-S219 PolarHBondContact ND1-O 2.65Å; H141-K221 PolarHBondContact CE1-O 3.31Å; H141-K221 PolarHBondContact ND1-O 3.47Å; H141-S223 PolarHBondContact CE1-O 2.84Å; H141-S223 PolarHBondContact NE2-O 2.89Å; H141-L225 PolarHBondContact NE2-N 2.72Å
142	F	90.9	Very high	84.2	Confident	34 Å²	34	71.2 Å²	71.2	15%	0.149	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	148.8	165.5	80.1	-80.1	0	0	0	109.8	H144 R175 G177 S179	F142-H144 HydrophobicContact CD2-CB 4.2Å; F142-H144 HydrophobicContact CE2-CB 3.87Å; F142-R175 HydrophobicContact CZ-CG 4.35Å; F142-G177 WeakPolarHBondContact CD1-O 3.21Å; F142-G177 VanDerWaalsContact CE1-CA 3.41Å; F142-G177 WeakPolarHBondContact CE1-O 3.36Å; F142-G177 PolarHBondContact N-O 2.89Å; F142-G177 PolarHBondContact O-N 3.44Å; F142-S179 WeakPolarHBondContact CE1-O 3.15Å; F142-S179 VanDerWaalsContact CZ-O 3.27Å; F142-S179 WeakPolarHBondContact CZ-O 3.24Å
143	I	95.1	Very high	84.6	Confident	4 Å²	4	63.2 Å²	63.2	2%	0.021	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	123.6	173	-66.3	168.8	0	0	0	109.3	V116 I119 K120 C123 V174 R175 L176 L215	V116-I143 HydrophobicContact CG1-CG2 3.98Å; I119-I143 HydrophobicContact CG2-CD1 3.94Å; K120-I143 HydrophobicContact CB-CB 4.17Å; K120-I143 HydrophobicContact CB-CD1 4.3Å; K120-I143 HydrophobicContact CB-CG2 4.29Å; K120-I143 HydrophobicContact CD-CB 4.28Å; K120-I143 HydrophobicContact CD-CG2 4.45Å; K120-I143 WeakPolarHBondContact CE-O 3.46Å; K120-I143 HydrophobicContact CG-CB 4.16Å; K120-I143 PolarHBondContact NZ-O 3.31Å; C123-I143 HydrophobicContact CB-CD1 3.98Å; I143-V174 HydrophobicContact CG2-CG1 3.78Å; I143-R175 WeakPolarHBondContact CA-O 3.5Å; I143-L176 HydrophobicContact CD1-CD1 4.3Å; I143-L176 HydrophobicContact CG1-CD1 3.68Å; I143-L215 HydrophobicContact CD1-CD1 4.12Å; I143-L215 HydrophobicContact CG1-CD1 4.38Å
144	H	95.7	Very high	84.8	Confident	85 Å²	85	56 Å²	56	39%	0.394	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121	172.5	-175.7	76.1	0	0	0	109.4	F142 V174 R175	F142-H144 HydrophobicContact CD2-CB 4.2Å; F142-H144 HydrophobicContact CE2-CB 3.87Å; H144-V174 CarbonylContact O-C 3.51Å; H144-V174 WeakPolarHBondContact O-CA 3.29Å; H144-R175 PolarHBondContact N-O 3.41Å; H144-R175 PolarHBondContact O-N 3.08Å
145	A	97.2	Very high	85	Confident	38 Å²	38	52.1 Å²	52.1	31%	0.314	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	136.5	178.5	0	0	0	0	0	109.3	L113 V116 V173 V174	L113-A145 HydrophobicContact CD2-CB 4.29Å; V116-A145 HydrophobicContact CG1-CB 3.88Å; A145-V173 CarbonylContact C-O 3.53Å; A145-V173 WeakPolarHBondContact CA-O 3.42Å; A145-V174 HydrophobicContact CB-CG1 4.49Å; A145-V174 HydrophobicContact CB-CG2 4.12Å
146	E	97.1	Very high	85.1	Confident	71 Å²	71	47.8 Å²	47.8	33%	0.332	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	156.6	175.8	67.5	-171.8	151	0	0	110.8	V173 H251	E146-V173 HydrophobicContact CG-CB 4.02Å; E146-V173 PolarHBondContact N-O 3.49Å; E146-V173 PolarHBondContact O-N 2.95Å; E146-H251 IonicContact OE1-CE1 3.31Å; E146-H251 PolarHBondContact OE1-CE1 2.85Å; E146-H251 IonicContact OE1-NE2 3.18Å; E146-H251 PolarHBondContact OE1-NE2 2.82Å
147	V	97.3	Very high	85.2	Confident	51 Å²	51	49.5 Å²	49.5	31%	0.309	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	118.1	173.9	179.5	0	0	0	0	108	T109 L113 R149 T170 N171	T109-V147 HydrophobicContact CG2-CG2 4.27Å; L113-V147 HydrophobicContact CD1-CG2 3.78Å; L113-V147 HydrophobicContact CD2-CG2 4.37Å; V147-R149 HydrophobicContact CG1-CG 4.36Å; V147-T170 HydrophobicContact CG1-CG2 3.85Å; V147-N171 CarbonylContact C-O 3.44Å; V147-N171 WeakPolarHBondContact CA-O 3.37Å
148	Q	96.1	Very high	85.3	Confident	23 Å²	23	46.5 Å²	46.5	11%	0.107	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	138.4	175	-171.6	-152.1	12.3	0	0	109.1	N171 V173 G246 H251	Q148-N171 HydrophobicContact CB-CB 4.17Å; Q148-N171 PolarHBondContact N-O 3.48Å; Q148-N171 PolarHBondContact O-N 3.04Å; Q148-N171 PolarHBondContact OE1-ND2 3.25Å; Q148-N171 VanDerWaalsContact OE1-ND2 3.13Å; Q148-V173 HydrophobicContact CB-CG2 4.29Å; Q148-G246 PolarHBondContact NE2-O 3.43Å; Q148-H251 VanDerWaalsContact CD-CD2 3.48Å
149	R	93.8	Very high	85.3	Confident	108 Å²	108	41.3 Å²	41.3	41%	0.408	23%	0.232	S	C	.	.			trans	-125.1	77.5	172.3	-59.7	-165.3	173.2	94.7	-0.9	114	V147 N168 V169 T170	V147-R149 HydrophobicContact CG1-CG 4.36Å; R149-N168 HydrophobicContact CB-CB 4.49Å; R149-N168 WeakPolarHBondContact CB-OD1 3.43Å; R149-N168 VanDerWaalsContact CD-OD1 3.24Å; R149-N168 WeakPolarHBondContact CD-OD1 3.35Å; R149-V169 WeakPolarHBondContact CA-O 3.48Å; R149-T170 PolarHBondContact NE-OG1 3.23Å
150	P	92.4	Very high	85	Confident	6 Å²	6	38.9 Å²	38.9	4%	0.039	22%	0.215	C	C	.	.			trans	-74.9	159	-177.6	28.6	-34.2	0	0	0	113.8	Y166 N168 V169 G246 L250	P150-Y166 HydrophobicContact CB-CE2 4.35Å; P150-Y166 HydrophobicContact CG-CE2 4.47Å; P150-N168 WeakPolarHBondContact O-CA 3.32Å; P150-N168 PolarHBondContact O-N 3.42Å; P150-V169 WeakPolarHBondContact CD-O 3.29Å; P150-V169 HydrophobicContact CG-CG2 3.83Å; P150-V169 PolarHBondContact O-N 2.81Å; P150-G246 VanDerWaalsContact CG-CA 3.48Å; P150-L250 HydrophobicContact CB-CD1 3.64Å
151	S	88.4	Confident	84.4	Confident	55 Å²	55	43.2 Å²	43.2	39%	0.385	23%	0.233	S	C	.	.			trans	-133	140.5	170.1	-51.9	0	0	0	0	109.3	Y166 Q167 N168 L250	S151-Y166 CarbonylContact C-O 3.41Å; S151-Y166 VanDerWaalsContact CA-O 3.27Å; S151-Y166 WeakPolarHBondContact CA-O 3.3Å; S151-Q167 WeakPolarHBondContact OG-CA 3.36Å; S151-Q167 WeakPolarHBondContact OG-CG 3.47Å; S151-N168 PolarHBondContact OG-N 2.83Å; S151-L250 WeakPolarHBondContact O-CD1 3.42Å
152	G	85.9	Confident	83.6	Confident	22 Å²	22	43.6 Å²	43.6	23%	0.227	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	-179.9	-176.7	0	0	0	0	0	113.4	C165 Y166	G152-C165 CarbonylContact O-C 3.56Å; G152-C165 WeakPolarHBondContact O-CA 3.42Å; G152-Y166 PolarHBondContact N-O 2.87Å; G152-Y166 VanDerWaalsContact O-CD1 3.26Å; G152-Y166 WeakPolarHBondContact O-CD1 3.34Å; G152-Y166 WeakPolarHBondContact O-CE1 3.31Å; G152-Y166 PolarHBondContact O-N 3.2Å
153	C	83.7	Confident	82.9	Confident	45 Å²	45	42.5 Å²	42.5	30%	0.304	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	146.2	174.5	-64.2	0	0	0	0	110.3	V163 Q164 C165 F806	C153-V163 HydrophobicContact CB-CG1 4.46Å; C153-Q164 CarbonylContact C-O 3.54Å; C153-Q164 WeakPolarHBondContact CA-O 3.49Å; C153-C165 HydrophobicContact CB-CB 4.16Å; C153-C165 WeakPolarHBondContact CB-SG 3.44Å; C153-C165 VanDerWaalsContact SG-CA 3.6Å; C153-C165 WeakPolarHBondContact SG-CB 3.21Å; C153-C165 CovalentContact SG-SG 2.05Å; C153-C165 PolarHBondContact SG-SG 3.24Å; C153-F806 PolarHBondContact SG-O 2.96Å
154	F	83.1	Confident	82.2	Confident	5 Å²	5	42.4 Å²	42.4	2%	0.022	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	156.1	177.7	67.2	-73.9	0	0	0	111.8	L156 V163 Q164 Y166 I240 L241 P242 H245 I311 Y315	F154-L156 HydrophobicContact CD2-CD1 4.31Å; F154-L156 HydrophobicContact CD2-CD2 4.15Å; F154-L156 HydrophobicContact CD2-CG 3.86Å; F154-L156 HydrophobicContact CE2-CD1 3.54Å; F154-L156 HydrophobicContact CE2-CD2 3.78Å; F154-L156 HydrophobicContact CE2-CG 3.53Å; F154-L156 HydrophobicContact CZ-CD1 4.09Å; F154-V163 CarbonylContact O-C 3.53Å; F154-V163 WeakPolarHBondContact O-CA 3.13Å; F154-Q164 HydrophobicContact CD1-CB 4.13Å; F154-Q164 HydrophobicContact CE1-CB 3.75Å; F154-Q164 HydrophobicContact CE1-CG 3.78Å; F154-Q164 HydrophobicContact CZ-CB 4.02Å; F154-Q164 HydrophobicContact CZ-CG 4.1Å; F154-Q164 PolarHBondContact N-O 2.81Å; F154-Q164 PolarHBondContact O-N 3.42Å; F154-Y166 HydrophobicContact CD1-CD1 4.34Å; F154-Y166 AromaticContact CD1-CE1 3.87Å; F154-Y166 HydrophobicContact CD1-CE1 3.87Å; F154-Y166 HydrophobicContact CE1-CD1 4.1Å; F154-Y166 AromaticContact CE1-CE1 3.86Å; F154-Y166 HydrophobicContact CE1-CE1 3.86Å; F154-I240 WeakPolarHBondContact CZ-O 3.31Å; F154-L241 HydrophobicContact CZ-CB 4.46Å; F154-P242 HydrophobicContact CE1-CB 4.43Å; F154-H245 WeakPolarHBondContact CB-NE2 3.34Å; F154-H245 HydrophobicContact CD1-CB 4.17Å; F154-H245 AromaticContact CD1-CG 3.73Å; F154-H245 AromaticContact CD1-ND1 3.8Å; F154-H245 HydrophobicContact CE1-CB 4.02Å; F154-H245 AromaticContact CG-CD2 3.78Å; F154-H245 AromaticContact CG-CG 3.95Å; F154-H245 AromaticContact CG-NE2 4Å; F154-H245 HydrophobicContact CZ-CB 4.3Å; F154-I311 HydrophobicContact CD2-CD1 4.27Å; F154-I311 HydrophobicContact CE2-CD1 3.72Å; F154-I311 HydrophobicContact CZ-CD1 4.35Å; F154-Y315 HydrophobicContact CB-CE1 4.23Å; F154-Y315 HydrophobicContact CD2-CE2 4.27Å
155	A	77.7	Confident	81.5	Confident	30 Å²	30	38.6 Å²	38.6	25%	0.248	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	141.3	178.5	0	0	0	0	0	110.2	V163 Y315	A155-V163 HydrophobicContact CB-CG2 4.37Å; A155-Y315 PolarHBondContact O-OH 3.38Å
156	L	72.2	Confident	80.8	Confident	3 Å²	3	37.1 Å²	37.1	2%	0.016	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.1	175.4	-76.2	169.6	0	0	0	110.1	F154 F158 H161 F162 I240	F154-L156 HydrophobicContact CD2-CD1 4.31Å; F154-L156 HydrophobicContact CD2-CD2 4.15Å; F154-L156 HydrophobicContact CD2-CG 3.86Å; F154-L156 HydrophobicContact CE2-CD1 3.54Å; F154-L156 HydrophobicContact CE2-CD2 3.78Å; F154-L156 HydrophobicContact CE2-CG 3.53Å; F154-L156 HydrophobicContact CZ-CD1 4.09Å; L156-F158 PolarHBondContact O-N 3.36Å; L156-H161 VanDerWaalsContact O-CA 3.29Å; L156-H161 WeakPolarHBondContact O-CA 3.42Å; L156-F162 HydrophobicContact CB-CE1 4.38Å; L156-F162 HydrophobicContact CD1-CE2 4.36Å; L156-F162 HydrophobicContact CD1-CZ 4.05Å; L156-F162 PolarHBondContact N-O 3.5Å; L156-F162 PolarHBondContact O-N 2.87Å; L156-F162 VanDerWaalsContact O-N 3.14Å; L156-I240 HydrophobicContact CD1-CB 4.5Å; L156-I240 HydrophobicContact CD1-CG2 3.21Å
157	N	68.7	Low	80.1	Confident	109 Å²	109	38.1 Å²	38.1	58%	0.583	21%	0.205	S	C	*	.			trans	-85.4	20.9	173.2	-63.5	-8.8	0	0	0	112.4	H161	N157-H161 PolarHBondContact OD1-CD2 3.39Å
158	F	65.4	Low	79.6	Confident	38 Å²	38	39.1 Å²	39.1	17%	0.167	21%	0.208	C	C	.	.	S	Bend	trans	-93.9	149.5	179.4	-176.3	-127.4	0	0	0	110.5	L156 N160 H161 P304 E306	L156-F158 PolarHBondContact O-N 3.36Å; F158-N160 VanDerWaalsContact C-N 3.3Å; F158-N160 PolarHBondContact O-N 2.94Å; F158-H161 PolarHBondContact O-N 2.92Å; F158-P304 HydrophobicContact CE2-CB 4.25Å; F158-P304 HydrophobicContact CZ-CB 4.38Å; F158-E306 HydrophobicContact CB-CG 4.05Å; F158-E306 HydrophobicContact CD1-CB 4.29Å; F158-E306 HydrophobicContact CD1-CG 3.72Å; F158-E306 HydrophobicContact CD2-CG 3.47Å; F158-E306 VanDerWaalsContact CD2-CG 3.47Å; F158-E306 HydrophobicContact CE1-CB 4.31Å; F158-E306 HydrophobicContact CE1-CG 3.99Å; F158-E306 HydrophobicContact CE2-CG 3.76Å; F158-E306 HydrophobicContact CG-CG 3.48Å; F158-E306 VanDerWaalsContact CG-CG 3.48Å; F158-E306 HydrophobicContact CZ-CG 4.02Å
159	L	67.1	Low	79.2	Confident	50 Å²	50	38 Å²	38	26%	0.262	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	-71	-179.7	-52.4	168.7	0	0	0	115.1	F162 I746 V748	L159-F162 HydrophobicContact CD1-CE1 4.46Å; L159-I746 HydrophobicContact CD1-CG2 3.23Å; L159-V748 HydrophobicContact CD1-CG1 3.73Å; L159-V748 HydrophobicContact CD2-CG1 3.94Å; L159-V748 HydrophobicContact CG-CG1 4.26Å
160	N	65.2	Low	79.2	Confident	23 Å²	23	32.9 Å²	32.9	12%	0.123	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.3	10.9	-174.1	-89.7	-43.7	0	0	0	114.9	F158 Y739 P747 R750	F158-N160 VanDerWaalsContact C-N 3.3Å; F158-N160 PolarHBondContact O-N 2.94Å; N160-Y739 PolarHBondContact ND2-OH 3.31Å; N160-P747 HydrophobicContact CB-CB 4.23Å; N160-P747 PolarHBondContact ND2-O 3.24Å; N160-R750 WeakPolarHBondContact OD1-CD 3.15Å; N160-R750 WeakPolarHBondContact OD1-CG 3.26Å; N160-R750 PolarHBondContact OD1-NE 2.88Å
161	H	69.9	Low	79.4	Confident	105 Å²	105	32.6 Å²	32.6	49%	0.486	18%	0.182	S	C	.	.			trans	62.4	115.3	-166.9	-57.7	69.6	0	0	0	112.2	L156 N157 F158	L156-H161 VanDerWaalsContact O-CA 3.29Å; L156-H161 WeakPolarHBondContact O-CA 3.42Å; N157-H161 PolarHBondContact OD1-CD2 3.39Å; F158-H161 PolarHBondContact O-N 2.92Å
162	F	72.6	Confident	79.9	Confident	11 Å²	11	30 Å²	30	5%	0.048	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	166.3	176	64.2	-80.8	0	0	0	112	L156 L159 Q164 I240 P747 V821	L156-F162 HydrophobicContact CB-CE1 4.38Å; L156-F162 HydrophobicContact CD1-CE2 4.36Å; L156-F162 HydrophobicContact CD1-CZ 4.05Å; L156-F162 PolarHBondContact N-O 3.5Å; L156-F162 PolarHBondContact O-N 2.87Å; L156-F162 VanDerWaalsContact O-N 3.14Å; L159-F162 HydrophobicContact CD1-CE1 4.46Å; F162-Q164 HydrophobicContact CD2-CB 4.47Å; F162-Q164 HydrophobicContact CE2-CB 4.16Å; F162-I240 HydrophobicContact CE2-CG2 4.21Å; F162-I240 HydrophobicContact CZ-CB 4.28Å; F162-I240 HydrophobicContact CZ-CG1 4.17Å; F162-I240 HydrophobicContact CZ-CG2 3.63Å; F162-P747 HydrophobicContact CB-CG 4.25Å; F162-P747 HydrophobicContact CD1-CG 3.56Å; F162-P747 HydrophobicContact CE1-CG 3.95Å; F162-P747 HydrophobicContact CG-CG 3.91Å; F162-V821 HydrophobicContact CB-CB 3.74Å; F162-V821 HydrophobicContact CB-CG2 4.38Å
163	V	77	Confident	80.5	Confident	11 Å²	11	29 Å²	29	7%	0.067	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.7	174.1	176.3	0	0	0	0	108	C153 F154 A155 W804 V821 V822	C153-V163 HydrophobicContact CB-CG1 4.46Å; F154-V163 CarbonylContact O-C 3.53Å; F154-V163 WeakPolarHBondContact O-CA 3.13Å; A155-V163 HydrophobicContact CB-CG2 4.37Å; V163-W804 HydrophobicContact CB-CH2 3.93Å; V163-W804 HydrophobicContact CB-CZ2 4.31Å; V163-W804 HydrophobicContact CG1-CH2 4.49Å; V163-W804 HydrophobicContact CG2-CH2 3.68Å; V163-W804 HydrophobicContact CG2-CZ2 3.76Å; V163-V821 PolarHBondContact N-O 3.22Å; V163-V822 WeakPolarHBondContact O-CA 3.29Å
164	Q	79.1	Confident	81.2	Confident	2 Å²	2	26.9 Å²	26.9	1%	0.009	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	125.6	174.8	-173.6	66	12.1	0	0	108.5	C153 F154 F162 N239	C153-Q164 CarbonylContact C-O 3.54Å; C153-Q164 WeakPolarHBondContact CA-O 3.49Å; F154-Q164 HydrophobicContact CD1-CB 4.13Å; F154-Q164 HydrophobicContact CE1-CB 3.75Å; F154-Q164 HydrophobicContact CE1-CG 3.78Å; F154-Q164 HydrophobicContact CZ-CB 4.02Å; F154-Q164 HydrophobicContact CZ-CG 4.1Å; F154-Q164 PolarHBondContact N-O 2.81Å; F154-Q164 PolarHBondContact O-N 3.42Å; F162-Q164 HydrophobicContact CD2-CB 4.47Å; F162-Q164 HydrophobicContact CE2-CB 4.16Å; Q164-N239 PolarHBondContact NE2-O 3.43Å; Q164-N239 VanDerWaalsContact NE2-O 3.08Å
165	C	80.8	Confident	81.8	Confident	4 Å²	4	27.7 Å²	27.7	3%	0.027	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144	173.8	-75.8	0	0	0	0	109.5	G152 C153 F806 V822 A823 S824 Q825	G152-C165 CarbonylContact O-C 3.56Å; G152-C165 WeakPolarHBondContact O-CA 3.42Å; C153-C165 HydrophobicContact CB-CB 4.16Å; C153-C165 WeakPolarHBondContact CB-SG 3.44Å; C153-C165 VanDerWaalsContact SG-CA 3.6Å; C153-C165 WeakPolarHBondContact SG-CB 3.21Å; C153-C165 CovalentContact SG-SG 2.05Å; C153-C165 PolarHBondContact SG-SG 3.24Å; C165-F806 HydrophobicContact CB-CD1 4.26Å; C165-F806 VanDerWaalsContact SG-CD1 3.6Å; C165-V822 HydrophobicContact CB-CG1 4.08Å; C165-A823 CarbonylContact C-O 3.55Å; C165-A823 PolarHBondContact N-O 3.44Å; C165-S824 VanDerWaalsContact O-CA 3.26Å; C165-S824 WeakPolarHBondContact O-CA 3.32Å; C165-Q825 PolarHBondContact O-N 2.96Å
166	Y	83.3	Confident	82.7	Confident	7 Å²	7	26.2 Å²	26.2	3%	0.027	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	151.7	-175.5	61.7	-90.5	0	0	0	110.4	P150 S151 G152 F154 V169 P242 H245 G246	P150-Y166 HydrophobicContact CB-CE2 4.35Å; P150-Y166 HydrophobicContact CG-CE2 4.47Å; S151-Y166 CarbonylContact C-O 3.41Å; S151-Y166 VanDerWaalsContact CA-O 3.27Å; S151-Y166 WeakPolarHBondContact CA-O 3.3Å; G152-Y166 PolarHBondContact N-O 2.87Å; G152-Y166 VanDerWaalsContact O-CD1 3.26Å; G152-Y166 WeakPolarHBondContact O-CD1 3.34Å; G152-Y166 WeakPolarHBondContact O-CE1 3.31Å; G152-Y166 PolarHBondContact O-N 3.2Å; F154-Y166 HydrophobicContact CD1-CD1 4.34Å; F154-Y166 AromaticContact CD1-CE1 3.87Å; F154-Y166 HydrophobicContact CD1-CE1 3.87Å; F154-Y166 HydrophobicContact CE1-CD1 4.1Å; F154-Y166 AromaticContact CE1-CE1 3.86Å; F154-Y166 HydrophobicContact CE1-CE1 3.86Å; Y166-V169 HydrophobicContact CD2-CB 4.41Å; Y166-V169 HydrophobicContact CD2-CG1 3.91Å; Y166-V169 HydrophobicContact CD2-CG2 3.6Å; Y166-V169 HydrophobicContact CE2-CG2 3.91Å; Y166-V169 HydrophobicContact CG-CG1 4.25Å; Y166-P242 HydrophobicContact CD1-CB 3.31Å; Y166-P242 HydrophobicContact CD2-CB 3.98Å; Y166-P242 HydrophobicContact CE1-CB 3.9Å; Y166-P242 HydrophobicContact CE2-CB 4.48Å; Y166-P242 HydrophobicContact CG-CB 3.36Å; Y166-H245 HydrophobicContact CE1-CB 4.43Å; Y166-H245 AromaticContact CE1-ND1 3.61Å; Y166-H245 AromaticContact CZ-ND1 3.61Å; Y166-H245 PolarHBondContact OH-ND1 3.04Å; Y166-G246 WeakPolarHBondContact OH-CA 3.33Å; Y166-G246 PolarHBondContact OH-N 3.05Å; Y166-G246 VanDerWaalsContact OH-N 3.09Å
167	Q	82.1	Confident	83.8	Confident	93 Å²	93	26.1 Å²	26.1	44%	0.435	13%	0.129	S	C	.	.	S	Bend	trans	-136.3	130.6	179	173.7	154.8	-15.5	0	0	111.4	S151 V169 Q825 F826	S151-Q167 WeakPolarHBondContact OG-CA 3.36Å; S151-Q167 WeakPolarHBondContact OG-CG 3.47Å; Q167-V169 PolarHBondContact O-N 2.94Å; Q167-Q825 PolarHBondContact N-O 2.98Å; Q167-F826 HydrophobicContact CB-CD1 3.59Å; Q167-F826 HydrophobicContact CB-CD2 4.42Å; Q167-F826 HydrophobicContact CB-CE1 3.37Å; Q167-F826 HydrophobicContact CB-CE2 4.18Å; Q167-F826 HydrophobicContact CB-CG 4.12Å; Q167-F826 HydrophobicContact CB-CZ 3.63Å; Q167-F826 HydrophobicContact CG-CD1 3.65Å; Q167-F826 HydrophobicContact CG-CE1 3.34Å; Q167-F826 HydrophobicContact CG-CZ 4.02Å
168	N	86.4	Confident	84.8	Confident	72 Å²	72	23.1 Å²	23.1	39%	0.385	12%	0.115	S	C	.	.	S	Bend	trans	56.2	33.9	172	-163.6	61.6	0	0	0	113.6	R149 P150 S151	R149-N168 HydrophobicContact CB-CB 4.49Å; R149-N168 WeakPolarHBondContact CB-OD1 3.43Å; R149-N168 VanDerWaalsContact CD-OD1 3.24Å; R149-N168 WeakPolarHBondContact CD-OD1 3.35Å; P150-N168 WeakPolarHBondContact O-CA 3.32Å; P150-N168 PolarHBondContact O-N 3.42Å; S151-N168 PolarHBondContact OG-N 2.83Å
169	V	88.7	Confident	85.8	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.122	C	C	.	.			trans	-65.5	146.2	175.7	-64	0	0	0	0	110.2	R149 P150 Y166 Q167 A236 P242 A243	R149-V169 WeakPolarHBondContact CA-O 3.48Å; P150-V169 WeakPolarHBondContact CD-O 3.29Å; P150-V169 HydrophobicContact CG-CG2 3.83Å; P150-V169 PolarHBondContact O-N 2.81Å; Y166-V169 HydrophobicContact CD2-CB 4.41Å; Y166-V169 HydrophobicContact CD2-CG1 3.91Å; Y166-V169 HydrophobicContact CD2-CG2 3.6Å; Y166-V169 HydrophobicContact CE2-CG2 3.91Å; Y166-V169 HydrophobicContact CG-CG1 4.25Å; Q167-V169 PolarHBondContact O-N 2.94Å; V169-A236 HydrophobicContact CB-CB 4.2Å; V169-A236 HydrophobicContact CG1-CB 4.19Å; V169-P242 HydrophobicContact CG1-CB 4.44Å; V169-A243 HydrophobicContact CB-CB 4.33Å; V169-A243 HydrophobicContact CG2-CB 3.84Å
170	T	92.7	Very high	86.7	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.149	C	C	.	.			trans	-94.8	131.4	-173	-68.3	0	0	0	0	112.7	E105 T109 V147 R149 F192 G235	E105-T170 WeakPolarHBondContact OE2-CB 3.24Å; E105-T170 PolarHBondContact OE2-OG1 2.86Å; T109-T170 HydrophobicContact CG2-CG2 4.16Å; V147-T170 HydrophobicContact CG1-CG2 3.85Å; R149-T170 PolarHBondContact NE-OG1 3.23Å; T170-F192 HydrophobicContact CG2-CZ 4.25Å; T170-G235 VanDerWaalsContact O-CA 3.24Å; T170-G235 WeakPolarHBondContact O-CA 3.24Å; T170-G235 PolarHBondContact O-N 3.42Å
171	N	97.2	Very high	87.8	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	139.1	164.8	-77.3	-38.9	0	0	0	109.5	V147 Q148 V173 L232 N234 A243	V147-N171 CarbonylContact C-O 3.44Å; V147-N171 WeakPolarHBondContact CA-O 3.37Å; Q148-N171 HydrophobicContact CB-CB 4.17Å; Q148-N171 PolarHBondContact N-O 3.48Å; Q148-N171 PolarHBondContact O-N 3.04Å; Q148-N171 PolarHBondContact OE1-ND2 3.25Å; Q148-N171 VanDerWaalsContact OE1-ND2 3.13Å; N171-V173 HydrophobicContact CB-CG2 4.28Å; N171-L232 HydrophobicContact CB-CD1 3.93Å; N171-N234 WeakPolarHBondContact OD1-CA 3.3Å; N171-A243 PolarHBondContact ND2-O 3.4Å; N171-A243 WeakPolarHBondContact OD1-CB 3.29Å
172	V	98.4	Very high	88.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	115.9	164	-175.9	0	0	0	0	108.5	T109 I112 L113 V174 F233	T109-V172 HydrophobicContact CG2-CG2 3.89Å; I112-V172 HydrophobicContact CG2-CB 4.33Å; I112-V172 HydrophobicContact CG2-CG1 3.98Å; L113-V172 HydrophobicContact CD2-CG1 3.77Å; L113-V172 HydrophobicContact CG-CG1 4.29Å; V172-V174 HydrophobicContact CG1-CG2 4.17Å; V172-F233 HydrophobicContact CB-CB 4.17Å; V172-F233 HydrophobicContact CB-CD2 4.39Å; V172-F233 PolarHBondContact N-O 3.33Å; V172-F233 PolarHBondContact O-N 3.09Å
173	V	98.5	Very high	89.6	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119.3	-176.8	-173.6	0	0	0	0	108.6	A145 E146 Q148 N171 V230 L232 F247 L253	A145-V173 CarbonylContact C-O 3.53Å; A145-V173 WeakPolarHBondContact CA-O 3.42Å; E146-V173 HydrophobicContact CG-CB 4.02Å; E146-V173 PolarHBondContact N-O 3.49Å; E146-V173 PolarHBondContact O-N 2.95Å; Q148-V173 HydrophobicContact CB-CG2 4.29Å; N171-V173 HydrophobicContact CB-CG2 4.28Å; V173-V230 HydrophobicContact CG1-CG1 3.89Å; V173-L232 HydrophobicContact CG2-CD1 3.92Å; V173-F247 HydrophobicContact CG1-CE2 3.91Å; V173-F247 HydrophobicContact CG2-CD2 3.99Å; V173-F247 HydrophobicContact CG2-CE2 3.96Å; V173-L253 HydrophobicContact CG1-CD1 3.94Å
174	V	98.4	Very high	90.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	118.2	179.8	-172.6	0	0	0	0	109.9	V116 I143 H144 A145 V172 L215 V230 F231 F233	V116-V174 HydrophobicContact CG1-CG1 3.88Å; V116-V174 HydrophobicContact CG1-CG2 4.1Å; V116-V174 HydrophobicContact CG2-CG2 3.82Å; I143-V174 HydrophobicContact CG2-CG1 3.78Å; H144-V174 CarbonylContact O-C 3.51Å; H144-V174 WeakPolarHBondContact O-CA 3.29Å; A145-V174 HydrophobicContact CB-CG1 4.49Å; A145-V174 HydrophobicContact CB-CG2 4.12Å; V172-V174 HydrophobicContact CG1-CG2 4.17Å; V174-L215 HydrophobicContact CG1-CD1 4.44Å; V174-L215 HydrophobicContact CG1-CD2 3.93Å; V174-V230 CarbonylContact O-C 3.56Å; V174-V230 WeakPolarHBondContact O-CA 3.49Å; V174-F231 HydrophobicContact CB-CB 4.23Å; V174-F231 PolarHBondContact N-O 3.19Å; V174-F231 PolarHBondContact O-N 3.37Å; V174-F233 HydrophobicContact CG2-CE2 4.17Å
175	R	97.5	Very high	91.3	Very high	22 Å²	22	42.3 Å²	42.3	8%	0.083	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	122	175.4	-175.9	172.5	70.3	126.1	-8	110.6	F142 I143 H144 R180 Q181 D228 V230	F142-R175 HydrophobicContact CZ-CG 4.35Å; I143-R175 WeakPolarHBondContact CA-O 3.5Å; H144-R175 PolarHBondContact N-O 3.41Å; H144-R175 PolarHBondContact O-N 3.08Å; R175-R180 PolarHBondContact NH2-O 3.45Å; R175-Q181 PolarHBondContact NH1-O 3.24Å; R175-D228 HydrophobicContact CG-CB 4.42Å; R175-D228 IonicContact CZ-OD2 3.92Å; R175-D228 IonicContact NH1-OD2 2.97Å; R175-D228 PolarHBondContact NH1-OD2 2.87Å; R175-V230 HydrophobicContact CG-CG2 4.4Å
176	L	96.4	Very high	92	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	126.8	166.4	178.1	67.7	0	0	0	108.8	H141 I143 L215 L218 L225 D228 V229 F231	H141-L176 HydrophobicContact CB-CD1 4.06Å; I143-L176 HydrophobicContact CD1-CD1 4.3Å; I143-L176 HydrophobicContact CG1-CD1 3.68Å; L176-L215 HydrophobicContact CB-CD1 4.06Å; L176-L215 HydrophobicContact CD2-CD1 4.21Å; L176-L218 HydrophobicContact CD2-CB 3.6Å; L176-L225 HydrophobicContact CD2-CD1 3.59Å; L176-L225 HydrophobicContact CG-CD1 3.88Å; L176-D228 CarbonylContact O-C 3.51Å; L176-D228 WeakPolarHBondContact O-CA 3.22Å; L176-V229 PolarHBondContact N-O 3.49Å; L176-V229 PolarHBondContact O-N 3.25Å; L176-F231 HydrophobicContact CB-CE2 4.18Å
177	G	94.1	Very high	92.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	-173.8	175.6	0	0	0	0	0	112.1	H141 F142 D228	H141-G177 CarbonylContact C-O 3.56Å; H141-G177 VanDerWaalsContact CA-O 3.3Å; H141-G177 WeakPolarHBondContact CA-O 3.46Å; F142-G177 WeakPolarHBondContact CD1-O 3.21Å; F142-G177 VanDerWaalsContact CE1-CA 3.41Å; F142-G177 WeakPolarHBondContact CE1-O 3.36Å; F142-G177 PolarHBondContact N-O 2.89Å; F142-G177 PolarHBondContact O-N 3.44Å; G177-D228 WeakPolarHBondContact CA-OD1 3.35Å
178	T	90.7	Very high	93.5	Very high	46 Å²	46	37.4 Å²	37.4	28%	0.282	18%	0.178	S	C	.	.	S	Bend	trans	-106.8	-9.2	179.7	64.4	0	0	0	0	113.6	V140 R183 L225	V140-T178 WeakPolarHBondContact O-CB 3.43Å; V140-T178 WeakPolarHBondContact O-CG2 3.25Å; T178-R183 PolarHBondContact OG1-NH1 3.07Å; T178-L225 HydrophobicContact CG2-CB 4.48Å; T178-L225 VanDerWaalsContact CG2-N 3.29Å
179	S	86.1	Confident	94.1	Very high	45 Å²	45	34 Å²	34	32%	0.315	16%	0.16	S	C	.	.	S	Bend	trans	-146	145.6	179.7	175.3	0	0	0	0	111	F142 Q181	F142-S179 WeakPolarHBondContact CE1-O 3.15Å; F142-S179 VanDerWaalsContact CZ-O 3.27Å; F142-S179 WeakPolarHBondContact CZ-O 3.24Å; S179-Q181 PolarHBondContact O-N 3.09Å; S179-Q181 VanDerWaalsContact O-N 3.14Å; S179-Q181 VanDerWaalsContact O-O 3.05Å; S179-Q181 PolarHBondContact OG-N 3.41Å
180	R	85.8	Confident	94.5	Very high	222 Å²	222	34 Å²	34	84%	0.838	16%	0.16	S	C	*	.	S	Bend	trans	-60.6	-24.8	175.7	-67.4	-172.8	178.3	-173.5	-0.3	113	R175	R175-R180 PolarHBondContact NH2-O 3.45Å
181	Q	89.3	Confident	94.7	Very high	153 Å²	153	34 Å²	34	72%	0.715	16%	0.16	S	C	*	.	S	Bend	trans	-63.4	137.4	173.4	-69.7	-179.6	-18.3	0	0	110.4	R175 S179 R183	R175-Q181 PolarHBondContact NH1-O 3.24Å; S179-Q181 PolarHBondContact O-N 3.09Å; S179-Q181 VanDerWaalsContact O-N 3.14Å; S179-Q181 VanDerWaalsContact O-O 3.05Å; S179-Q181 PolarHBondContact OG-N 3.41Å; Q181-R183 PolarHBondContact O-N 2.8Å
182	I	87.8	Confident	94.7	Very high	102 Å²	102	34 Å²	34	52%	0.523	16%	0.16	S	C	.	.			trans	-71.5	122.1	178.1	-62.5	169.1	0	0	0	108.5	L253 A256	I182-L253 HydrophobicContact CD1-CD2 3.94Å; I182-L253 HydrophobicContact CG1-CD2 4.04Å; I182-L253 HydrophobicContact CG2-CD2 3.98Å; I182-A256 HydrophobicContact CG2-CB 3.55Å
183	R	91.6	Very high	94.4	Very high	85 Å²	85	34 Å²	34	32%	0.321	16%	0.16	S	C	.	.			trans	-112.3	165.8	177.4	-61.1	170.3	69.3	-154.2	-3.3	109.3	T178 Q181 A185 L225 P226 A256	T178-R183 PolarHBondContact OG1-NH1 3.07Å; Q181-R183 PolarHBondContact O-N 2.8Å; R183-A185 PolarHBondContact O-N 3.39Å; R183-L225 PolarHBondContact NH1-O 2.81Å; R183-P226 PolarHBondContact NH2-O 3.02Å; R183-A256 WeakPolarHBondContact O-CB 3.35Å
184	S	94.6	Very high	94	Very high	36 Å²	36	34 Å²	34	25%	0.252	16%	0.159	S	C	.	.			trans	-49.5	139.6	168.8	-69.9	0	0	0	0	110.3	Y227 D228 A256 R258	S184-Y227 WeakPolarHBondContact O-CB 3.43Å; S184-D228 PolarHBondContact O-N 2.6Å; S184-A256 CarbonylContact C-O 3.32Å; S184-A256 VanDerWaalsContact CA-O 3.3Å; S184-A256 WeakPolarHBondContact CA-O 3.21Å; S184-R258 PolarHBondContact OG-NE 3.25Å
185	A	96.1	Very high	93.3	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.008	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	152.5	-170.1	0	0	0	0	0	113.8	R183 D228 V230 A256 I257 R258	R183-A185 PolarHBondContact O-N 3.39Å; A185-D228 CarbonylContact C-O 3.57Å; A185-D228 WeakPolarHBondContact CA-O 3.26Å; A185-D228 HydrophobicContact CB-CB 3.91Å; A185-D228 WeakPolarHBondContact CB-O 3.32Å; A185-V230 HydrophobicContact CB-CG2 3.98Å; A185-A256 HydrophobicContact CB-CB 4.46Å; A185-A256 PolarHBondContact N-O 3.1Å; A185-I257 WeakPolarHBondContact O-CA 3.41Å; A185-R258 PolarHBondContact O-N 2.79Å
186	L	97.1	Very high	92.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	132.5	163.6	170.1	62.9	0	0	0	109.2	L188 D228 V229 V230 S259 I261 V358 V361 M362 M367	L186-L188 HydrophobicContact CD2-CD2 3.95Å; L186-L188 HydrophobicContact CG-CD2 4Å; L186-D228 PolarHBondContact N-O 3.09Å; L186-V229 WeakPolarHBondContact O-CA 3.43Å; L186-V230 PolarHBondContact O-N 3.2Å; L186-S259 WeakPolarHBondContact CD1-OG 3.5Å; L186-I261 HydrophobicContact CD1-CG1 4.32Å; L186-I261 HydrophobicContact CD2-CD1 4.27Å; L186-V358 HydrophobicContact CD2-CB 4.44Å; L186-V358 HydrophobicContact CD2-CG1 4.18Å; L186-V358 HydrophobicContact CD2-CG2 4.19Å; L186-V361 HydrophobicContact CD1-CG1 4.04Å; L186-V361 HydrophobicContact CD2-CB 4.2Å; L186-V361 HydrophobicContact CD2-CG1 4Å; L186-V361 HydrophobicContact CG-CG1 4.5Å; L186-M362 HydrophobicContact CB-CE 3.27Å; L186-M362 HydrophobicContact CD2-CE 3.7Å; L186-M362 HydrophobicContact CG-CE 4.12Å; L186-M367 HydrophobicContact CB-CE 4.2Å
187	L	98	Very high	91.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	132	172.5	176.9	67.8	0	0	0	110.6	V230 L232 F247 I257 S259 F260 I261 F312	L187-V230 CarbonylContact C-O 3.54Å; L187-V230 WeakPolarHBondContact CA-O 3.25Å; L187-V230 HydrophobicContact CD1-CB 4.26Å; L187-V230 HydrophobicContact CD1-CG1 3.95Å; L187-L232 HydrophobicContact CD1-CB 3.7Å; L187-L232 HydrophobicContact CD1-CD2 4.26Å; L187-F247 HydrophobicContact CD1-CE1 3.84Å; L187-F247 HydrophobicContact CD1-CZ 4.1Å; L187-F247 HydrophobicContact CD2-CE1 4.05Å; L187-I257 HydrophobicContact CB-CD1 4.15Å; L187-I257 HydrophobicContact CB-CG1 4.48Å; L187-I257 HydrophobicContact CB-CG2 3.71Å; L187-I257 HydrophobicContact CD1-CD1 4.29Å; L187-I257 HydrophobicContact CD2-CD1 4.19Å; L187-I257 HydrophobicContact CG-CD1 4.45Å; L187-S259 PolarHBondContact N-O 2.91Å; L187-F260 HydrophobicContact CB-CB 3.74Å; L187-F260 HydrophobicContact CD2-CB 3.94Å; L187-F260 HydrophobicContact CG-CB 4.12Å; L187-F260 CarbonylContact O-C 3.56Å; L187-F260 WeakPolarHBondContact O-CA 3.44Å; L187-I261 PolarHBondContact O-N 2.98Å; L187-F312 HydrophobicContact CD2-CD1 3.79Å; L187-F312 HydrophobicContact CD2-CD2 4.33Å; L187-F312 HydrophobicContact CD2-CE1 3.64Å; L187-F312 HydrophobicContact CD2-CE2 4.17Å; L187-F312 HydrophobicContact CD2-CG 4.16Å; L187-F312 HydrophobicContact CD2-CZ 3.84Å
188	L	98.4	Very high	91	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.9	167.4	-53.6	-178	0	0	0	107.5	L186 L211 I214 V229 V230 F231 L232 I261 V358	L186-L188 HydrophobicContact CD2-CD2 3.95Å; L186-L188 HydrophobicContact CG-CD2 4Å; L188-L211 HydrophobicContact CB-CD1 3.99Å; L188-L211 HydrophobicContact CB-CD2 3.86Å; L188-L211 HydrophobicContact CD1-CD2 4.23Å; L188-I214 HydrophobicContact CD1-CG2 4.41Å; L188-V229 HydrophobicContact CD1-CG1 3.68Å; L188-V229 HydrophobicContact CG-CG1 3.93Å; L188-V230 PolarHBondContact N-O 3.13Å; L188-F231 HydrophobicContact CB-CD1 4.27Å; L188-F231 HydrophobicContact CD1-CD1 3.91Å; L188-F231 HydrophobicContact CD1-CE1 3.54Å; L188-F231 HydrophobicContact CD1-CZ 4.02Å; L188-F231 CarbonylContact O-C 3.47Å; L188-F231 WeakPolarHBondContact O-CA 3.09Å; L188-L232 PolarHBondContact O-N 2.88Å; L188-I261 WeakPolarHBondContact CA-O 3.34Å; L188-I261 HydrophobicContact CD2-CB 3.72Å; L188-I261 HydrophobicContact CD2-CD1 3.74Å; L188-I261 HydrophobicContact CD2-CG1 4Å; L188-V358 HydrophobicContact CD1-CG2 3.83Å; L188-V358 HydrophobicContact CD2-CG2 3.78Å; L188-V358 HydrophobicContact CG-CG2 4.46Å
189	N	98.1	Very high	91	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	142.8	-177.5	-174.4	72.7	0	0	0	111.4	L232 I261 N262 L263 D308 F312	N189-L232 WeakPolarHBondContact CA-O 3.36Å; N189-L232 WeakPolarHBondContact OD1-CD2 3.46Å; N189-L232 VanDerWaalsContact OD1-CG 3.32Å; N189-L232 WeakPolarHBondContact OD1-CG 3.42Å; N189-I261 PolarHBondContact N-O 2.76Å; N189-N262 PolarHBondContact ND2-OD1 2.63Å; N189-L263 PolarHBondContact O-N 2.87Å; N189-D308 VanDerWaalsContact ND2-CB 3.29Å; N189-D308 WeakPolarHBondContact ND2-CB 3.41Å; N189-D308 PolarHBondContact ND2-OD2 3.33Å; N189-F312 HydrophobicContact CB-CE2 3.64Å; N189-F312 HydrophobicContact CB-CZ 4.07Å
190	C	97.5	Very high	91.3	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	165.7	166.3	63	0	0	0	0	107.8	D204 L211 L232 F233 N234 L263	C190-D204 WeakPolarHBondContact CA-OD2 3.31Å; C190-D204 VanDerWaalsContact CB-OD2 3.23Å; C190-D204 WeakPolarHBondContact CB-OD2 3.38Å; C190-L211 HydrophobicContact CB-CD1 3.96Å; C190-L211 HydrophobicContact CB-CG 4.37Å; C190-L211 WeakPolarHBondContact SG-CD1 3.48Å; C190-L232 PolarHBondContact N-O 2.76Å; C190-L232 VanDerWaalsContact N-O 3.12Å; C190-F233 WeakPolarHBondContact O-CA 3.37Å; C190-F233 WeakPolarHBondContact SG-CD1 3.29Å; C190-N234 PolarHBondContact O-N 3.42Å; C190-L263 HydrophobicContact CB-CB 4.45Å
191	H	96.8	Very high	91.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	146.7	175.9	77.1	94.8	0	0	0	112.8	D193 D203 D204 C208 N234 E237 E264	H191-D193 WeakPolarHBondContact CB-OD1 3.25Å; H191-D193 IonicContact CG-OD1 2.66Å; H191-D193 PolarHBondContact ND1-O 3.47Å; H191-D193 IonicContact ND1-OD1 3.15Å; H191-D193 PolarHBondContact ND1-OD1 3.43Å; H191-D193 VanDerWaalsContact ND1-OD1 3.14Å; H191-D203 IonicContact CE1-OD1 3.19Å; H191-D203 IonicContact NE2-OD1 3.25Å; H191-D204 WeakPolarHBondContact CD2-CB 3Å; H191-D204 IonicContact CD2-OD2 2.67Å; H191-D204 PolarHBondContact N-OD2 3.47Å; H191-D204 VanDerWaalsContact N-OD2 3.15Å; H191-D204 WeakPolarHBondContact NE2-CB 3.35Å; H191-D204 CarbonylContact O-C 3.46Å; H191-D204 WeakPolarHBondContact O-CB 3.19Å; H191-C208 PolarHBondContact O-SG 2.91Å; H191-N234 CarbonylContact C-O 3.57Å; H191-N234 WeakPolarHBondContact CA-O 3.37Å; H191-N234 HydrophobicContact CB-CB 3.91Å; H191-N234 WeakPolarHBondContact CB-O 3.23Å; H191-E237 HydrophobicContact CB-CB 3.47Å; H191-E237 VanDerWaalsContact CB-CB 3.47Å; H191-E237 HydrophobicContact CB-CG 4.22Å; H191-E264 IonicContact CD2-OE1 2.86Å; H191-E264 IonicContact CD2-OE2 3.26Å; H191-E264 IonicContact NE2-OE1 2.79Å; H191-E264 PolarHBondContact NE2-OE1 2.86Å; H191-E264 VanDerWaalsContact NE2-OE1 3.13Å
192	F	96.7	Very high	91.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.076	C	C	.	.			trans	-112.8	-12	-175.8	70	-96.1	0	0	0	113.5	R97 C104 A108 I112 T170 F233 N234 G235	R97-F192 PolarHBondContact NE-O 3.02Å; C104-F192 WeakPolarHBondContact O-CE2 3.2Å; C104-F192 WeakPolarHBondContact SG-CE2 3.34Å; A108-F192 HydrophobicContact CB-CD2 3.83Å; A108-F192 HydrophobicContact CB-CE2 4.19Å; I112-F192 HydrophobicContact CD1-CB 3.79Å; I112-F192 HydrophobicContact CD1-CD1 3.84Å; I112-F192 HydrophobicContact CD1-CD2 4.26Å; I112-F192 HydrophobicContact CD1-CE1 4.47Å; I112-F192 HydrophobicContact CD1-CG 3.7Å; T170-F192 HydrophobicContact CG2-CZ 4.25Å; F192-F233 HydrophobicContact CD1-CB 3.85Å; F192-F233 HydrophobicContact CE1-CB 4.37Å; F192-F233 WeakPolarHBondContact CE1-O 3.37Å; F192-N234 VanDerWaalsContact CD1-C 3.46Å; F192-N234 WeakPolarHBondContact CD1-O 3.29Å; F192-N234 VanDerWaalsContact CE1-C 3.45Å; F192-N234 WeakPolarHBondContact CE1-O 3.44Å; F192-N234 PolarHBondContact N-O 2.98Å; F192-G235 VanDerWaalsContact CE1-N 3.29Å
193	D	93.3	Very high	92.1	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.052	C	C	.	.			trans	-69.8	168.2	167.5	67.1	-51.5	0	0	0	111.1	R97 H191 A236 E237 E238	R97-D193 WeakPolarHBondContact O-CA 3.46Å; R97-D193 WeakPolarHBondContact O-CB 3.21Å; H191-D193 WeakPolarHBondContact CB-OD1 3.25Å; H191-D193 IonicContact CG-OD1 2.66Å; H191-D193 PolarHBondContact ND1-O 3.47Å; H191-D193 IonicContact ND1-OD1 3.15Å; H191-D193 PolarHBondContact ND1-OD1 3.43Å; H191-D193 VanDerWaalsContact ND1-OD1 3.14Å; D193-A236 PolarHBondContact OD1-N 3.35Å; D193-A236 VanDerWaalsContact OD2-CA 3.24Å; D193-A236 WeakPolarHBondContact OD2-CA 3.12Å; D193-E237 PolarHBondContact OD1-N 3.05Å; D193-E237 PolarHBondContact OD2-N 3.25Å; D193-E238 WeakPolarHBondContact OD2-CB 3.42Å; D193-E238 PolarHBondContact OD2-N 2.91Å
194	S	90.4	Very high	92.2	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	4%	0.036	C	C	.	.			trans	-141.8	156.4	177.9	73.2	0	0	0	0	110.4	R97 P98 S198	R97-S194 PolarHBondContact N-OG 2.73Å; R97-S194 PolarHBondContact O-N 3.34Å; R97-S194 VanDerWaalsContact O-N 3.09Å; P98-S194 WeakPolarHBondContact CA-O 3.23Å; P98-S194 VanDerWaalsContact CB-O 3.3Å; P98-S194 WeakPolarHBondContact CB-O 3.32Å; S194-S198 PolarHBondContact OG-O 2.9Å
195	V	83.1	Confident	92.2	Very high	17 Å²	17	3.7 Å²	3.7	10%	0.103	2%	0.024	C	C	.	.			trans	-55.4	155.5	166.4	-64.9	0	0	0	0	112.2	S198 E238 H333	V195-S198 PolarHBondContact O-N 3.1Å; V195-E238 HydrophobicContact CG1-CB 4.36Å; V195-E238 HydrophobicContact CG1-CG 4.38Å; V195-E238 WeakPolarHBondContact CG1-OE1 3.41Å; V195-E238 WeakPolarHBondContact CG1-OE2 3.3Å; V195-E238 PolarHBondContact N-OE1 2.7Å; V195-H333 HydrophobicContact CG1-CB 4.5Å; V195-H333 HydrophobicContact CG2-CB 3.9Å
196	P	77.2	Confident	92.2	Very high	9 Å²	9	3.6 Å²	3.6	6%	0.058	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	144.5	167.7	-26.9	36.3	0	0	0	111.8	P98 S198 W867	P98-P196 HydrophobicContact CB-CG 4.31Å; P196-S198 PolarHBondContact O-N 2.81Å; P196-W867 HydrophobicContact CB-CE3 3.5Å; P196-W867 VanDerWaalsContact CB-CE3 3.5Å; P196-W867 HydrophobicContact CB-CZ3 3.78Å; P196-W867 HydrophobicContact CG-CE3 3.75Å; P196-W867 HydrophobicContact CG-CZ3 3.74Å
197	S	77.4	Confident	92.2	Very high	14 Å²	14	3.6 Å²	3.6	10%	0.098	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	-10	-179.2	81.4	0	0	0	0	117.9	D865	S197-D865 WeakPolarHBondContact OG-CA 3.34Å; S197-D865 PolarHBondContact OG-OD1 3.2Å
198	S	86	Confident	92.2	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.024	C	C	.	.			trans	-96.7	139.4	175.4	-175.8	0	0	0	0	111.7	P96 S194 V195 P196 G200 N334	P96-S198 WeakPolarHBondContact CA-O 3.35Å; P96-S198 VanDerWaalsContact CB-O 3.32Å; P96-S198 WeakPolarHBondContact CB-O 3.32Å; S194-S198 PolarHBondContact OG-O 2.9Å; V195-S198 PolarHBondContact O-N 3.1Å; P196-S198 PolarHBondContact O-N 2.81Å; S198-G200 VanDerWaalsContact C-N 3.3Å; S198-G200 PolarHBondContact OG-N 3.44Å; S198-N334 PolarHBondContact OG-O 3.06Å
199	P	90.1	Very high	92.1	Very high	11 Å²	11	3.6 Å²	3.6	7%	0.071	2%	0.024	C	C	.	.			trans	-74.3	-16.1	169.9	-2.8	17.5	0	0	0	113.9	V92 R97 N334 D337 R338	V92-P199 HydrophobicContact CG1-CB 3.53Å; R97-P199 PolarHBondContact NH1-O 2.83Å; R97-P199 PolarHBondContact NH2-O 3.37Å; P199-N334 WeakPolarHBondContact CD-O 3.44Å; P199-D337 WeakPolarHBondContact CB-O 3.39Å; P199-D337 WeakPolarHBondContact CG-O 3.35Å; P199-R338 HydrophobicContact CG-CG 3.97Å
200	G	92.2	Very high	92.1	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.024	C	C	.	.			trans	64.2	47.6	175.3	0	0	0	0	0	114.5	R97 S198 D203 G205 D337	R97-G200 PolarHBondContact NH2-O 2.77Å; S198-G200 VanDerWaalsContact C-N 3.3Å; S198-G200 PolarHBondContact OG-N 3.44Å; G200-D203 CarbonylContact C-O 3.09Å; G200-D203 VanDerWaalsContact C-O 3.32Å; G200-D203 WeakPolarHBondContact CA-O 3.31Å; G200-D203 CarbonylContact O-C 3.36Å; G200-G205 PolarHBondContact O-N 2.89Å; G200-D337 VanDerWaalsContact C-OD2 3.24Å; G200-D337 WeakPolarHBondContact CA-OD2 3.39Å
201	A	94.3	Very high	92.1	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.024	C	C	.	.	I	π-helix	trans	-77.6	-51.8	-179.7	0	0	0	0	0	112.5	V92 V206 D337 R338 P339 I342	V92-A201 HydrophobicContact CG2-CB 3.69Å; A201-V206 VanDerWaalsContact O-CB 3.28Å; A201-V206 WeakPolarHBondContact O-CB 3.41Å; A201-V206 PolarHBondContact O-N 3.05Å; A201-D337 VanDerWaalsContact CB-O 3.23Å; A201-D337 WeakPolarHBondContact CB-O 3.47Å; A201-D337 VanDerWaalsContact N-CG 3.33Å; A201-D337 PolarHBondContact N-O 3.06Å; A201-D337 PolarHBondContact N-OD2 3.26Å; A201-R338 VanDerWaalsContact CB-CA 3.47Å; A201-P339 HydrophobicContact CB-CG 4.29Å; A201-I342 HydrophobicContact CB-CD1 4.29Å
202	S	91.9	Very high	92.1	Very high	23 Å²	23	3.9 Å²	3.9	16%	0.161	3%	0.025	C	C	.	.	I	π-helix	trans	-80.5	-11.8	171.7	63	0	0	0	0	112.6	G265 D337	S202-G265 VanDerWaalsContact O-CA 3.25Å; S202-G265 WeakPolarHBondContact O-CA 3.33Å; S202-D337 VanDerWaalsContact CB-OD1 3.3Å; S202-D337 WeakPolarHBondContact CB-OD1 3.3Å; S202-D337 PolarHBondContact N-OD1 3.11Å; S202-D337 PolarHBondContact N-OD2 3.38Å; S202-D337 PolarHBondContact OG-OD1 3.34Å
203	D	92.4	Very high	92.1	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	3%	0.026	C	C	.	.	I	π-helix	trans	-141.3	83.1	-169.5	-173.2	35.6	0	0	0	111.7	H191 G200 Y332 H333 D337	H191-D203 IonicContact CE1-OD1 3.19Å; H191-D203 IonicContact NE2-OD1 3.25Å; G200-D203 CarbonylContact C-O 3.09Å; G200-D203 VanDerWaalsContact C-O 3.32Å; G200-D203 WeakPolarHBondContact CA-O 3.31Å; G200-D203 CarbonylContact O-C 3.36Å; D203-Y332 HydrophobicContact CB-CD2 4.04Å; D203-Y332 HydrophobicContact CB-CE2 3.93Å; D203-Y332 WeakPolarHBondContact OD2-CE2 3.33Å; D203-H333 IonicContact OD2-CD2 3.79Å; D203-H333 PolarHBondContact OD2-CD2 3.01Å; D203-H333 IonicContact OD2-NE2 2.96Å; D203-H333 PolarHBondContact OD2-NE2 3.41Å; D203-D337 PolarHBondContact N-OD2 3.4Å
204	D	94	Very high	92.3	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	3%	0.026	C	C	.	.	I	π-helix	cis	-128.7	32	-3.4	-177	43.3	0	0	0	110.8	C190 H191 V206 S207 C208	C190-D204 WeakPolarHBondContact CA-OD2 3.31Å; C190-D204 VanDerWaalsContact CB-OD2 3.23Å; C190-D204 WeakPolarHBondContact CB-OD2 3.38Å; H191-D204 WeakPolarHBondContact CD2-CB 3Å; H191-D204 IonicContact CD2-OD2 2.67Å; H191-D204 PolarHBondContact N-OD2 3.47Å; H191-D204 VanDerWaalsContact N-OD2 3.15Å; H191-D204 WeakPolarHBondContact NE2-CB 3.35Å; H191-D204 CarbonylContact O-C 3.46Å; H191-D204 WeakPolarHBondContact O-CB 3.19Å; D204-V206 PolarHBondContact O-N 3.3Å; D204-V206 VanDerWaalsContact O-N 3.1Å; D204-S207 PolarHBondContact O-N 3.3Å; D204-S207 WeakPolarHBondContact OD1-CB 3.29Å; D204-S207 PolarHBondContact OD1-OG 2.94Å; D204-S207 WeakPolarHBondContact OD2-CB 3.26Å; D204-C208 PolarHBondContact O-N 3.27Å
205	G	95.9	Very high	92.6	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	3%	0.026	C	C	.	.	I	π-helix	trans	-55.5	-32.9	-180	0	0	0	0	0	113.2	G200 C208 S209	G200-G205 PolarHBondContact O-N 2.89Å; G205-C208 WeakPolarHBondContact O-CB 3.46Å; G205-C208 PolarHBondContact O-N 3.06Å; G205-S209 PolarHBondContact O-N 3.47Å; G205-S209 VanDerWaalsContact O-N 3.08Å; G205-S209 PolarHBondContact O-OG 2.72Å
206	V	95.3	Very high	93.2	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-63.9	-39.7	177.2	65.1	0	0	0	0	112.2	L88 A201 D204 S209 V210 F325 I342 I347	L88-V206 HydrophobicContact CD1-CB 4.48Å; L88-V206 HydrophobicContact CD2-CB 4.32Å; L88-V206 HydrophobicContact CD2-CG2 4.48Å; A201-V206 VanDerWaalsContact O-CB 3.28Å; A201-V206 WeakPolarHBondContact O-CB 3.41Å; A201-V206 PolarHBondContact O-N 3.05Å; D204-V206 PolarHBondContact O-N 3.3Å; D204-V206 VanDerWaalsContact O-N 3.1Å; V206-S209 WeakPolarHBondContact O-CB 3.35Å; V206-S209 PolarHBondContact O-N 2.87Å; V206-V210 WeakPolarHBondContact O-CG2 3.44Å; V206-V210 PolarHBondContact O-N 3.41Å; V206-F325 HydrophobicContact CG1-CD2 3.93Å; V206-F325 HydrophobicContact CG1-CE2 3.69Å; V206-F325 HydrophobicContact CG1-CG 4.49Å; V206-F325 HydrophobicContact CG1-CZ 4.04Å; V206-F325 HydrophobicContact CG2-CE1 4.35Å; V206-F325 HydrophobicContact CG2-CE2 4.27Å; V206-F325 HydrophobicContact CG2-CZ 3.83Å; V206-I342 HydrophobicContact CB-CD1 4.1Å; V206-I342 HydrophobicContact CG2-CD1 4.27Å; V206-I347 HydrophobicContact CG2-CD1 3.77Å; V206-I347 HydrophobicContact CG2-CG1 3.61Å
207	S	96.5	Very high	93.9	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-73.2	-33.8	178.4	-60.6	0	0	0	0	111.4	D204 S209 V210 L211 L263	D204-S207 PolarHBondContact O-N 3.3Å; D204-S207 WeakPolarHBondContact OD1-CB 3.29Å; D204-S207 PolarHBondContact OD1-OG 2.94Å; D204-S207 WeakPolarHBondContact OD2-CB 3.26Å; S207-S209 VanDerWaalsContact C-N 3.28Å; S207-S209 PolarHBondContact O-N 3.42Å; S207-V210 PolarHBondContact O-N 3.46Å; S207-V210 VanDerWaalsContact O-N 3.15Å; S207-L211 WeakPolarHBondContact O-CG 3.44Å; S207-L211 PolarHBondContact O-N 2.91Å; S207-L263 WeakPolarHBondContact OG-CB 3.39Å
208	C	98	Very high	94.7	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-55.3	-46.2	168.1	-68.9	0	0	0	0	111.2	F87 L91 H191 D204 G205 L211 L212 F233	F87-C208 HydrophobicContact CE1-CB 4.1Å; L91-C208 HydrophobicContact CD2-CB 4.28Å; H191-C208 PolarHBondContact O-SG 2.91Å; D204-C208 PolarHBondContact O-N 3.27Å; G205-C208 WeakPolarHBondContact O-CB 3.46Å; G205-C208 PolarHBondContact O-N 3.06Å; C208-L211 PolarHBondContact O-N 2.86Å; C208-L212 WeakPolarHBondContact O-CG 3.34Å; C208-L212 PolarHBondContact O-N 3.06Å; C208-F233 HydrophobicContact CB-CD1 4.14Å; C208-F233 HydrophobicContact CB-CE1 4.19Å
209	S	97.1	Very high	95	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-61.8	-42.1	175.1	-61	0	0	0	0	113.1	A84 F87 L88 G205 V206 S207 E213	A84-S209 WeakPolarHBondContact O-CB 3.48Å; A84-S209 PolarHBondContact O-OG 3.34Å; F87-S209 WeakPolarHBondContact CD1-OG 3.45Å; L88-S209 WeakPolarHBondContact CA-OG 3.18Å; L88-S209 VanDerWaalsContact CB-OG 3.31Å; L88-S209 WeakPolarHBondContact CB-OG 3.37Å; L88-S209 PolarHBondContact N-OG 2.98Å; G205-S209 PolarHBondContact O-N 3.47Å; G205-S209 VanDerWaalsContact O-N 3.08Å; G205-S209 PolarHBondContact O-OG 2.72Å; V206-S209 WeakPolarHBondContact O-CB 3.35Å; V206-S209 PolarHBondContact O-N 2.87Å; S207-S209 VanDerWaalsContact C-N 3.28Å; S207-S209 PolarHBondContact O-N 3.42Å; S209-E213 WeakPolarHBondContact O-CB 3.22Å; S209-E213 PolarHBondContact O-N 3.49Å; S209-E213 VanDerWaalsContact O-N 3.07Å
210	V	97.1	Very high	94.8	Very high	1 Å²	1	3.8 Å²	3.8	1%	0.006	2%	0.02	C	C	.	.	H	α-helix	trans	-62.1	-47.3	177.3	168.7	0	0	0	0	110.5	F79 V206 S207 E213 I214 L263 I347 A350	F79-V210 HydrophobicContact CE2-CB 4.39Å; F79-V210 HydrophobicContact CE2-CG1 4.1Å; F79-V210 HydrophobicContact CE2-CG2 4.48Å; F79-V210 HydrophobicContact CZ-CB 4.41Å; F79-V210 HydrophobicContact CZ-CG1 4.42Å; F79-V210 HydrophobicContact CZ-CG2 4.02Å; V206-V210 WeakPolarHBondContact O-CG2 3.44Å; V206-V210 PolarHBondContact O-N 3.41Å; S207-V210 PolarHBondContact O-N 3.46Å; S207-V210 VanDerWaalsContact O-N 3.15Å; V210-E213 PolarHBondContact O-N 2.86Å; V210-I214 HydrophobicContact CG1-CD1 3.73Å; V210-I214 HydrophobicContact CG1-CG1 4.4Å; V210-I214 WeakPolarHBondContact O-CB 3.43Å; V210-I214 VanDerWaalsContact O-CG1 3.3Å; V210-I214 WeakPolarHBondContact O-CG1 3.45Å; V210-I214 PolarHBondContact O-N 3.3Å; V210-L263 HydrophobicContact CB-CD1 4.46Å; V210-L263 HydrophobicContact CG1-CD1 4.09Å; V210-I347 HydrophobicContact CG2-CG2 4Å; V210-A350 HydrophobicContact CG2-CB 4.44Å
211	L	98.2	Very high	94.5	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-63.6	-42.4	179.9	-73	-155.4	0	0	0	112.6	L188 C190 S207 C208 E213 I214 L215 F231 F233 L263	L188-L211 HydrophobicContact CB-CD1 3.99Å; L188-L211 HydrophobicContact CB-CD2 3.86Å; L188-L211 HydrophobicContact CD1-CD2 4.23Å; C190-L211 HydrophobicContact CB-CD1 3.96Å; C190-L211 HydrophobicContact CB-CG 4.37Å; C190-L211 WeakPolarHBondContact SG-CD1 3.48Å; S207-L211 WeakPolarHBondContact O-CG 3.44Å; S207-L211 PolarHBondContact O-N 2.91Å; C208-L211 PolarHBondContact O-N 2.86Å; L211-E213 VanDerWaalsContact C-N 3.34Å; L211-E213 PolarHBondContact O-N 3.36Å; L211-I214 PolarHBondContact O-N 3.47Å; L211-L215 WeakPolarHBondContact O-CB 3.49Å; L211-L215 PolarHBondContact O-N 3.31Å; L211-F231 HydrophobicContact CB-CD1 4.03Å; L211-F231 HydrophobicContact CD1-CD1 4.38Å; L211-F231 HydrophobicContact CD2-CD1 4.47Å; L211-F231 VanDerWaalsContact O-CE1 3.29Å; L211-F231 WeakPolarHBondContact O-CE1 3.5Å; L211-F233 HydrophobicContact CB-CE1 3.96Å; L211-F233 HydrophobicContact CB-CZ 3.97Å; L211-L263 HydrophobicContact CD2-CD1 3.47Å; L211-L263 VanDerWaalsContact CD2-CD1 3.47Å; L211-L263 HydrophobicContact CD2-CG 4.33Å; L211-L263 HydrophobicContact CG-CD1 3.95Å
212	L	98	Very high	93.8	Very high	6 Å²	6	10 Å²	10	3%	0.031	5%	0.05	C	C	.	.	H	α-helix	trans	-63.9	-38.9	176.1	-73.8	171.6	0	0	0	112.4	F87 E115 V116 I119 C208 L215 R216 F233	F87-L212 HydrophobicContact CD1-CD1 3.61Å; F87-L212 HydrophobicContact CD2-CD1 3.69Å; F87-L212 HydrophobicContact CE1-CD1 3.39Å; F87-L212 HydrophobicContact CE2-CD1 3.44Å; F87-L212 VanDerWaalsContact CE2-CD1 3.44Å; F87-L212 HydrophobicContact CG-CD1 3.75Å; F87-L212 HydrophobicContact CZ-CD1 3.3Å; E115-L212 HydrophobicContact CB-CD1 4.35Å; V116-L212 HydrophobicContact CG2-CD2 3.69Å; I119-L212 HydrophobicContact CD1-CD2 4.4Å; I119-L212 WeakPolarHBondContact CD1-O 3.26Å; C208-L212 WeakPolarHBondContact O-CG 3.34Å; C208-L212 PolarHBondContact O-N 3.06Å; L212-L215 WeakPolarHBondContact O-CB 3.28Å; L212-L215 PolarHBondContact O-N 2.89Å; L212-R216 PolarHBondContact O-N 3.26Å; L212-F233 HydrophobicContact CD2-CE1 4.32Å; L212-F233 HydrophobicContact CD2-CE2 4.36Å; L212-F233 HydrophobicContact CD2-CZ 3.7Å; L212-F233 HydrophobicContact CG-CE1 3.96Å; L212-F233 HydrophobicContact CG-CZ 3.77Å
213	E	96.7	Very high	93.4	Very high	5 Å²	5	12.9 Å²	12.9	2%	0.023	7%	0.071	C	C	.	.	H	α-helix	trans	-71.9	-35.8	176.9	-178.8	59.4	-169.6	0	0	112	F79 S80 R83 A84 S209 V210 L211 R216 V217	F79-E213 HydrophobicContact CD2-CB 4.08Å; F79-E213 HydrophobicContact CD2-CG 3.58Å; F79-E213 HydrophobicContact CE2-CB 3.61Å; F79-E213 HydrophobicContact CE2-CG 3.55Å; F79-E213 HydrophobicContact CG-CG 4.18Å; F79-E213 HydrophobicContact CZ-CB 4.21Å; F79-E213 HydrophobicContact CZ-CG 4.1Å; S80-E213 PolarHBondContact N-OE1 3.49Å; R83-E213 IonicContact CZ-OE1 2.63Å; R83-E213 IonicContact NE-OE1 3.05Å; R83-E213 PolarHBondContact NE-OE1 3.41Å; R83-E213 IonicContact NE-OE2 3.68Å; R83-E213 PolarHBondContact NE-OE2 2.9Å; R83-E213 IonicContact NH2-OE1 3.03Å; R83-E213 PolarHBondContact NH2-OE1 3.28Å; A84-E213 HydrophobicContact CB-CB 4.37Å; S209-E213 WeakPolarHBondContact O-CB 3.22Å; S209-E213 PolarHBondContact O-N 3.49Å; S209-E213 VanDerWaalsContact O-N 3.07Å; V210-E213 PolarHBondContact O-N 2.86Å; L211-E213 VanDerWaalsContact C-N 3.34Å; L211-E213 PolarHBondContact O-N 3.36Å; E213-R216 WeakPolarHBondContact O-CB 3.25Å; E213-R216 PolarHBondContact O-N 3.07Å; E213-R216 WeakPolarHBondContact OE2-CD 3.2Å; E213-R216 IonicContact OE2-NE 2.79Å; E213-R216 PolarHBondContact OE2-NE 2.93Å; E213-V217 WeakPolarHBondContact O-CG2 3.38Å; E213-V217 PolarHBondContact O-N 3.18Å
214	I	97.1	Very high	93.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.4	-42	171.3	-71.4	174	0	0	0	111	F79 L188 V210 L211 R216 V217 L218 F231 V354 L355	F79-I214 HydrophobicContact CD2-CG1 4.03Å; F79-I214 HydrophobicContact CE2-CG1 4.19Å; L188-I214 HydrophobicContact CD1-CG2 4.41Å; V210-I214 HydrophobicContact CG1-CD1 3.73Å; V210-I214 HydrophobicContact CG1-CG1 4.4Å; V210-I214 WeakPolarHBondContact O-CB 3.43Å; V210-I214 VanDerWaalsContact O-CG1 3.3Å; V210-I214 WeakPolarHBondContact O-CG1 3.45Å; V210-I214 PolarHBondContact O-N 3.3Å; L211-I214 PolarHBondContact O-N 3.47Å; I214-R216 VanDerWaalsContact C-N 3.28Å; I214-R216 PolarHBondContact O-N 2.84Å; I214-V217 PolarHBondContact O-N 3.27Å; I214-L218 HydrophobicContact CG2-CD1 3.67Å; I214-L218 HydrophobicContact CG2-CG 4.05Å; I214-L218 WeakPolarHBondContact O-CB 3.26Å; I214-L218 WeakPolarHBondContact O-CG 3.43Å; I214-L218 PolarHBondContact O-N 2.89Å; I214-F231 HydrophobicContact CB-CE1 4.38Å; I214-F231 HydrophobicContact CG2-CE1 4.04Å; I214-F231 HydrophobicContact CG2-CZ 4.27Å; I214-V354 HydrophobicContact CD1-CB 3.67Å; I214-V354 HydrophobicContact CD1-CG1 3.39Å; I214-L355 HydrophobicContact CD1-CB 4.47Å; I214-L355 HydrophobicContact CG1-CB 4.39Å; I214-L355 HydrophobicContact CG2-CD1 4.33Å
215	L	97.1	Very high	93	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-55.9	-45.1	173.3	172.8	63.2	0	0	0	110.6	V116 I119 I143 V174 L176 L211 L212 S219 F231	V116-L215 HydrophobicContact CG1-CD2 4.45Å; V116-L215 HydrophobicContact CG2-CD2 4.18Å; I119-L215 HydrophobicContact CD1-CD2 4.1Å; I119-L215 HydrophobicContact CD1-CG 4.33Å; I119-L215 HydrophobicContact CG2-CG 4.12Å; I143-L215 HydrophobicContact CD1-CD1 4.12Å; I143-L215 HydrophobicContact CG1-CD1 4.38Å; V174-L215 HydrophobicContact CG1-CD1 4.44Å; V174-L215 HydrophobicContact CG1-CD2 3.93Å; L176-L215 HydrophobicContact CB-CD1 4.06Å; L176-L215 HydrophobicContact CD2-CD1 4.21Å; L211-L215 WeakPolarHBondContact O-CB 3.49Å; L211-L215 PolarHBondContact O-N 3.31Å; L212-L215 WeakPolarHBondContact O-CB 3.28Å; L212-L215 PolarHBondContact O-N 2.89Å; L215-S219 WeakPolarHBondContact O-CB 3.45Å; L215-S219 PolarHBondContact O-N 3.48Å; L215-S219 PolarHBondContact O-OG 3.33Å; L215-S219 VanDerWaalsContact O-OG 3.13Å; L215-F231 HydrophobicContact CB-CD1 4.35Å; L215-F231 HydrophobicContact CB-CE1 3.83Å; L215-F231 HydrophobicContact CB-CE2 4.08Å; L215-F231 HydrophobicContact CB-CZ 3.7Å; L215-F231 HydrophobicContact CD1-CD2 4.05Å; L215-F231 HydrophobicContact CD1-CE2 3.6Å; L215-F231 HydrophobicContact CD1-CZ 4.05Å; L215-F231 HydrophobicContact CG-CE2 4.39Å; L215-F231 HydrophobicContact CG-CZ 4.47Å
216	R	94.3	Very high	92.8	Very high	34 Å²	34	18.3 Å²	18.3	13%	0.128	11%	0.113	C	C	.	.	H	α-helix	trans	-57.4	-55.3	175.2	-171.2	-175.2	-55	-72.1	-5.2	111.4	V76 I119 L212 E213 I214 L218 S219 S220	V76-R216 HydrophobicContact CG1-CG 4.37Å; I119-R216 HydrophobicContact CD1-CB 4.25Å; I119-R216 HydrophobicContact CG1-CB 4.17Å; I119-R216 HydrophobicContact CG1-CG 4.45Å; I119-R216 HydrophobicContact CG2-CB 4.32Å; L212-R216 PolarHBondContact O-N 3.26Å; E213-R216 WeakPolarHBondContact O-CB 3.25Å; E213-R216 PolarHBondContact O-N 3.07Å; E213-R216 WeakPolarHBondContact OE2-CD 3.2Å; E213-R216 IonicContact OE2-NE 2.79Å; E213-R216 PolarHBondContact OE2-NE 2.93Å; I214-R216 VanDerWaalsContact C-N 3.28Å; I214-R216 PolarHBondContact O-N 2.84Å; R216-L218 PolarHBondContact O-N 3.13Å; R216-S219 PolarHBondContact O-N 2.8Å; R216-S219 PolarHBondContact O-OG 3.03Å; R216-S220 PolarHBondContact O-N 2.85Å; R216-S220 PolarHBondContact O-OG 3.1Å
217	V	92.9	Very high	92.8	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.018	12%	0.12	C	C	.	.	H	α-helix	trans	-59.1	-46.7	-178.8	173.9	0	0	0	0	111.9	V76 T78 E213 I214 S220 L355	V76-V217 HydrophobicContact CG1-CG2 4.01Å; T78-V217 WeakPolarHBondContact O-CG2 3.49Å; E213-V217 WeakPolarHBondContact O-CG2 3.38Å; E213-V217 PolarHBondContact O-N 3.18Å; I214-V217 PolarHBondContact O-N 3.27Å; V217-S220 PolarHBondContact O-N 2.99Å; V217-L355 HydrophobicContact CG1-CD1 4.17Å; V217-L355 HydrophobicContact CG1-CD2 3.87Å
218	L	93.9	Very high	92.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-68	-38.6	-178.5	-67.8	178.9	0	0	0	112.3	L176 I214 R216 S220 K221 V229 F231 L355 V358	L176-L218 HydrophobicContact CD2-CB 3.6Å; I214-L218 HydrophobicContact CG2-CD1 3.67Å; I214-L218 HydrophobicContact CG2-CG 4.05Å; I214-L218 WeakPolarHBondContact O-CB 3.26Å; I214-L218 WeakPolarHBondContact O-CG 3.43Å; I214-L218 PolarHBondContact O-N 2.89Å; R216-L218 PolarHBondContact O-N 3.13Å; L218-S220 VanDerWaalsContact C-N 3.26Å; L218-S220 PolarHBondContact O-N 3.34Å; L218-K221 HydrophobicContact CD2-CD 4.26Å; L218-K221 WeakPolarHBondContact O-CB 3.38Å; L218-K221 PolarHBondContact O-N 3.22Å; L218-V229 HydrophobicContact CD1-CG2 4.47Å; L218-F231 HydrophobicContact CD1-CZ 4.24Å; L218-L355 HydrophobicContact CD2-CD1 3.86Å; L218-L355 HydrophobicContact CG-CD1 4.25Å; L218-V358 HydrophobicContact CD1-CG1 3.86Å
219	S	92.1	Very high	92.8	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-66.3	-28	178.8	73.4	0	0	0	0	113.3	H141 L215 R216 K221	H141-S219 PolarHBondContact ND1-O 2.65Å; L215-S219 WeakPolarHBondContact O-CB 3.45Å; L215-S219 PolarHBondContact O-N 3.48Å; L215-S219 PolarHBondContact O-OG 3.33Å; L215-S219 VanDerWaalsContact O-OG 3.13Å; R216-S219 PolarHBondContact O-N 2.8Å; R216-S219 PolarHBondContact O-OG 3.03Å; S219-K221 VanDerWaalsContact C-N 3.31Å; S219-K221 PolarHBondContact O-N 3.02Å
220	S	86.8	Confident	92.8	Very high	5 Å²	5	20.2 Å²	20.2	4%	0.035	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	3.7	177.1	-62.7	0	0	0	0	114.2	L75 R216 V217 L218	L75-S220 VanDerWaalsContact CD2-O 3.3Å; L75-S220 WeakPolarHBondContact CD2-O 3.37Å; R216-S220 PolarHBondContact O-N 2.85Å; R216-S220 PolarHBondContact O-OG 3.1Å; V217-S220 PolarHBondContact O-N 2.99Å; L218-S220 VanDerWaalsContact C-N 3.26Å; L218-S220 PolarHBondContact O-N 3.34Å
221	K	84.2	Confident	92.9	Very high	61 Å²	61	20.1 Å²	20.1	27%	0.265	12%	0.12	S	C	.	.			trans	-71.1	140.9	175.3	-73	-176.5	174.4	178.9	0	111.4	H141 L218 S219 L225 N359	H141-K221 PolarHBondContact CE1-O 3.31Å; H141-K221 PolarHBondContact ND1-O 3.47Å; L218-K221 HydrophobicContact CD2-CD 4.26Å; L218-K221 WeakPolarHBondContact O-CB 3.38Å; L218-K221 PolarHBondContact O-N 3.22Å; S219-K221 VanDerWaalsContact C-N 3.31Å; S219-K221 PolarHBondContact O-N 3.02Å; K221-L225 HydrophobicContact CD-CD2 4.38Å; K221-N359 PolarHBondContact NZ-OD1 3.25Å
222	N	80	Confident	92.9	Very high	69 Å²	69	20.1 Å²	20.1	37%	0.369	12%	0.12	S	C	.	.	S	Bend	trans	-77	-23.4	176.9	-66.4	-11.3	0	0	0	113.2	L75 I130	L75-N222 VanDerWaalsContact CD1-ND2 3.33Å; L75-N222 WeakPolarHBondContact CD1-ND2 3.32Å; L75-N222 WeakPolarHBondContact CD1-OD1 3.45Å; I130-N222 HydrophobicContact CD1-CB 4.5Å; I130-N222 WeakPolarHBondContact CD1-OD1 3.36Å
223	S	84.1	Confident	92.9	Very high	84 Å²	84	19.9 Å²	19.9	59%	0.587	12%	0.119	S	C	*	.	S	Bend	trans	-95	140.6	175.9	54.2	0	0	0	0	110.8	H141	H141-S223 PolarHBondContact CE1-O 2.84Å; H141-S223 PolarHBondContact NE2-O 2.89Å
224	G	85.6	Confident	92.8	Very high	42 Å²	42	19.6 Å²	19.6	43%	0.433	12%	0.117	S	C	.	.	P	Polyproline II helix	trans	-66.4	138.8	176	0	0	0	0	0	112.1
225	L	91.5	Very high	92.7	Very high	9 Å²	9	19.6 Å²	19.6	5%	0.047	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-64.7	138.3	175.6	-60.8	175.3	0	0	0	112.5	H141 L176 T178 R183 K221 Y227 V229	H141-L225 PolarHBondContact NE2-N 2.72Å; L176-L225 HydrophobicContact CD2-CD1 3.59Å; L176-L225 HydrophobicContact CG-CD1 3.88Å; T178-L225 HydrophobicContact CG2-CB 4.48Å; T178-L225 VanDerWaalsContact CG2-N 3.29Å; R183-L225 PolarHBondContact NH1-O 2.81Å; K221-L225 HydrophobicContact CD-CD2 4.38Å; L225-Y227 VanDerWaalsContact C-N 3.27Å; L225-Y227 VanDerWaalsContact CB-O 3.32Å; L225-Y227 WeakPolarHBondContact CB-O 3.26Å; L225-Y227 PolarHBondContact O-N 3.1Å; L225-V229 HydrophobicContact CD1-CG2 4.16Å
226	P	92.5	Very high	92.4	Very high	62 Å²	62	19.6 Å²	19.6	40%	0.403	12%	0.117	S	C	.	.	S	Bend	trans	-68.5	-26	179.7	27.7	-34.6	0	0	0	112.9	R183 M362	R183-P226 PolarHBondContact NH2-O 3.02Å; P226-M362 HydrophobicContact CG-CB 3.9Å; P226-M362 VanDerWaalsContact CG-O 3.24Å; P226-M362 WeakPolarHBondContact CG-O 3.24Å; P226-M362 HydrophobicContact CG-SD 4.39Å
227	Y	94.9	Very high	92.4	Very high	38 Å²	38	18.7 Å²	18.7	15%	0.149	11%	0.114	C	C	.	.	S	Bend	trans	-135.3	162.8	175.6	-58.2	-75.1	0	0	0	109.3	S184 L225 M362 M367 R368	S184-Y227 WeakPolarHBondContact O-CB 3.43Å; L225-Y227 VanDerWaalsContact C-N 3.27Å; L225-Y227 VanDerWaalsContact CB-O 3.32Å; L225-Y227 WeakPolarHBondContact CB-O 3.26Å; L225-Y227 PolarHBondContact O-N 3.1Å; Y227-M362 HydrophobicContact CD2-CE 4.33Å; Y227-M362 HydrophobicContact CD2-SD 4.08Å; Y227-M362 WeakPolarHBondContact CE2-O 3.13Å; Y227-M362 HydrophobicContact CG-SD 4.43Å; Y227-M367 HydrophobicContact CD1-CB 4.47Å; Y227-M367 HydrophobicContact CD1-CE 4.4Å; Y227-M367 HydrophobicContact CD2-CB 3.88Å; Y227-M367 HydrophobicContact CD2-CE 4.19Å; Y227-M367 HydrophobicContact CD2-CG 4.24Å; Y227-M367 HydrophobicContact CE1-CB 4.01Å; Y227-M367 HydrophobicContact CE2-CB 3.36Å; Y227-M367 HydrophobicContact CE2-CG 4.1Å; Y227-M367 HydrophobicContact CG-CB 4.41Å; Y227-M367 HydrophobicContact CG-CE 3.99Å; Y227-M367 VanDerWaalsContact CZ-CB 3.43Å; Y227-R368 WeakPolarHBondContact OH-CB 3.03Å; Y227-R368 PolarHBondContact OH-N 2.82Å
228	D	96.3	Very high	92.1	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	153.5	170.8	-73.1	5.4	0	0	0	109.2	R175 L176 G177 S184 A185 L186	R175-D228 HydrophobicContact CG-CB 4.42Å; R175-D228 IonicContact CZ-OD2 3.92Å; R175-D228 IonicContact NH1-OD2 2.97Å; R175-D228 PolarHBondContact NH1-OD2 2.87Å; L176-D228 CarbonylContact O-C 3.51Å; L176-D228 WeakPolarHBondContact O-CA 3.22Å; G177-D228 WeakPolarHBondContact CA-OD1 3.35Å; S184-D228 PolarHBondContact O-N 2.6Å; A185-D228 CarbonylContact C-O 3.57Å; A185-D228 WeakPolarHBondContact CA-O 3.26Å; A185-D228 HydrophobicContact CB-CB 3.91Å; A185-D228 WeakPolarHBondContact CB-O 3.32Å; L186-D228 PolarHBondContact N-O 3.09Å
229	V	97.7	Very high	91.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.5	170.5	-175.6	0	0	0	0	107.8	L176 L186 L188 L218 L225 F231 M362	L176-V229 PolarHBondContact N-O 3.49Å; L176-V229 PolarHBondContact O-N 3.25Å; L186-V229 WeakPolarHBondContact O-CA 3.43Å; L188-V229 HydrophobicContact CD1-CG1 3.68Å; L188-V229 HydrophobicContact CG-CG1 3.93Å; L218-V229 HydrophobicContact CD1-CG2 4.47Å; L225-V229 HydrophobicContact CD1-CG2 4.16Å; V229-F231 HydrophobicContact CB-CE2 4.01Å; V229-F231 HydrophobicContact CG1-CD2 4.1Å; V229-F231 HydrophobicContact CG1-CE1 4.5Å; V229-F231 HydrophobicContact CG1-CE2 3.54Å; V229-F231 HydrophobicContact CG1-CZ 3.78Å; V229-M362 HydrophobicContact CG2-CE 4.39Å; V229-M362 HydrophobicContact CG2-SD 4.1Å
230	V	98.3	Very high	91.2	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	119	177	178.4	0	0	0	0	107.8	V173 V174 R175 A185 L186 L187 L188 F247 L253	V173-V230 HydrophobicContact CG1-CG1 3.89Å; V174-V230 CarbonylContact O-C 3.56Å; V174-V230 WeakPolarHBondContact O-CA 3.49Å; R175-V230 HydrophobicContact CG-CG2 4.4Å; A185-V230 HydrophobicContact CB-CG2 3.98Å; L186-V230 PolarHBondContact O-N 3.2Å; L187-V230 CarbonylContact C-O 3.54Å; L187-V230 WeakPolarHBondContact CA-O 3.25Å; L187-V230 HydrophobicContact CD1-CB 4.26Å; L187-V230 HydrophobicContact CD1-CG1 3.95Å; L188-V230 PolarHBondContact N-O 3.13Å; V230-F247 HydrophobicContact CG1-CZ 4.14Å; V230-L253 HydrophobicContact CG2-CD1 4.28Å
231	F	98.7	Very high	91.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122.5	171.6	-56.6	-105.1	0	0	0	107.7	V174 L176 L188 L211 I214 L215 L218 V229 F233	V174-F231 HydrophobicContact CB-CB 4.23Å; V174-F231 PolarHBondContact N-O 3.19Å; V174-F231 PolarHBondContact O-N 3.37Å; L176-F231 HydrophobicContact CB-CE2 4.18Å; L188-F231 HydrophobicContact CB-CD1 4.27Å; L188-F231 HydrophobicContact CD1-CD1 3.91Å; L188-F231 HydrophobicContact CD1-CE1 3.54Å; L188-F231 HydrophobicContact CD1-CZ 4.02Å; L188-F231 CarbonylContact O-C 3.47Å; L188-F231 WeakPolarHBondContact O-CA 3.09Å; L211-F231 HydrophobicContact CB-CD1 4.03Å; L211-F231 HydrophobicContact CD1-CD1 4.38Å; L211-F231 HydrophobicContact CD2-CD1 4.47Å; L211-F231 VanDerWaalsContact O-CE1 3.29Å; L211-F231 WeakPolarHBondContact O-CE1 3.5Å; I214-F231 HydrophobicContact CB-CE1 4.38Å; I214-F231 HydrophobicContact CG2-CE1 4.04Å; I214-F231 HydrophobicContact CG2-CZ 4.27Å; L215-F231 HydrophobicContact CB-CD1 4.35Å; L215-F231 HydrophobicContact CB-CE1 3.83Å; L215-F231 HydrophobicContact CB-CE2 4.08Å; L215-F231 HydrophobicContact CB-CZ 3.7Å; L215-F231 HydrophobicContact CD1-CD2 4.05Å; L215-F231 HydrophobicContact CD1-CE2 3.6Å; L215-F231 HydrophobicContact CD1-CZ 4.05Å; L215-F231 HydrophobicContact CG-CE2 4.39Å; L215-F231 HydrophobicContact CG-CZ 4.47Å; L218-F231 HydrophobicContact CD1-CZ 4.24Å; V229-F231 HydrophobicContact CB-CE2 4.01Å; V229-F231 HydrophobicContact CG1-CD2 4.1Å; V229-F231 HydrophobicContact CG1-CE1 4.5Å; V229-F231 HydrophobicContact CG1-CE2 3.54Å; V229-F231 HydrophobicContact CG1-CZ 3.78Å; F231-F233 HydrophobicContact CB-CE2 3.88Å; F231-F233 HydrophobicContact CB-CZ 4.4Å
232	L	98.6	Very high	91.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	116.9	177.8	178.2	64.2	0	0	0	108.2	N171 V173 L187 L188 N189 C190 F247 F312	N171-L232 HydrophobicContact CB-CD1 3.93Å; V173-L232 HydrophobicContact CG2-CD1 3.92Å; L187-L232 HydrophobicContact CD1-CB 3.7Å; L187-L232 HydrophobicContact CD1-CD2 4.26Å; L188-L232 PolarHBondContact O-N 2.88Å; N189-L232 WeakPolarHBondContact CA-O 3.36Å; N189-L232 WeakPolarHBondContact OD1-CD2 3.46Å; N189-L232 VanDerWaalsContact OD1-CG 3.32Å; N189-L232 WeakPolarHBondContact OD1-CG 3.42Å; C190-L232 PolarHBondContact N-O 2.76Å; C190-L232 VanDerWaalsContact N-O 3.12Å; L232-F247 HydrophobicContact CD1-CB 4.27Å; L232-F247 HydrophobicContact CD1-CD2 3.82Å; L232-F247 HydrophobicContact CD1-CE2 4.27Å; L232-F247 HydrophobicContact CD1-CG 3.98Å; L232-F247 HydrophobicContact CD2-CB 3.91Å; L232-F247 HydrophobicContact CD2-CD1 3.55Å; L232-F247 HydrophobicContact CD2-CD2 4.23Å; L232-F247 HydrophobicContact CD2-CE1 4.03Å; L232-F247 HydrophobicContact CD2-CG 3.63Å; L232-F247 HydrophobicContact CG-CG 4.48Å; L232-F312 HydrophobicContact CD2-CE1 4.11Å; L232-F312 HydrophobicContact CD2-CZ 3.71Å
233	F	98.5	Very high	92.4	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	104.5	169.3	-55.7	-94.7	0	0	0	106.7	I112 V172 V174 C190 F192 C208 L211 L212 F231	I112-F233 HydrophobicContact CD1-CB 4.15Å; I112-F233 HydrophobicContact CD1-CD1 4.34Å; I112-F233 HydrophobicContact CD1-CG 4.36Å; I112-F233 HydrophobicContact CG2-CD1 4.38Å; I112-F233 HydrophobicContact CG2-CD2 4.01Å; I112-F233 HydrophobicContact CG2-CE2 4.25Å; I112-F233 HydrophobicContact CG2-CG 4.1Å; V172-F233 HydrophobicContact CB-CB 4.17Å; V172-F233 HydrophobicContact CB-CD2 4.39Å; V172-F233 PolarHBondContact N-O 3.33Å; V172-F233 PolarHBondContact O-N 3.09Å; V174-F233 HydrophobicContact CG2-CE2 4.17Å; C190-F233 WeakPolarHBondContact O-CA 3.37Å; C190-F233 WeakPolarHBondContact SG-CD1 3.29Å; F192-F233 HydrophobicContact CD1-CB 3.85Å; F192-F233 HydrophobicContact CE1-CB 4.37Å; F192-F233 WeakPolarHBondContact CE1-O 3.37Å; C208-F233 HydrophobicContact CB-CD1 4.14Å; C208-F233 HydrophobicContact CB-CE1 4.19Å; L211-F233 HydrophobicContact CB-CE1 3.96Å; L211-F233 HydrophobicContact CB-CZ 3.97Å; L212-F233 HydrophobicContact CD2-CE1 4.32Å; L212-F233 HydrophobicContact CD2-CE2 4.36Å; L212-F233 HydrophobicContact CD2-CZ 3.7Å; L212-F233 HydrophobicContact CG-CE1 3.96Å; L212-F233 HydrophobicContact CG-CZ 3.77Å; F231-F233 HydrophobicContact CB-CE2 3.88Å; F231-F233 HydrophobicContact CB-CZ 4.4Å
234	N	94.4	Very high	92.9	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	129.8	-179.3	173.3	-7.4	0	0	0	110.2	N171 C190 H191 F192 A236 E237 A243 A244 D308	N171-N234 WeakPolarHBondContact OD1-CA 3.3Å; C190-N234 PolarHBondContact O-N 3.42Å; H191-N234 CarbonylContact C-O 3.57Å; H191-N234 WeakPolarHBondContact CA-O 3.37Å; H191-N234 HydrophobicContact CB-CB 3.91Å; H191-N234 WeakPolarHBondContact CB-O 3.23Å; F192-N234 VanDerWaalsContact CD1-C 3.46Å; F192-N234 WeakPolarHBondContact CD1-O 3.29Å; F192-N234 VanDerWaalsContact CE1-C 3.45Å; F192-N234 WeakPolarHBondContact CE1-O 3.44Å; F192-N234 PolarHBondContact N-O 2.98Å; N234-A236 WeakPolarHBondContact OD1-CA 3.37Å; N234-A236 PolarHBondContact OD1-N 2.74Å; N234-E237 PolarHBondContact OD1-N 2.54Å; N234-A243 WeakPolarHBondContact OD1-CB 3.42Å; N234-A244 PolarHBondContact ND2-N 2.77Å; N234-D308 PolarHBondContact ND2-OD1 3.18Å; N234-D308 PolarHBondContact ND2-OD2 2.96Å
235	G	94.1	Very high	93.4	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.	S	Bend	trans	-103.7	17	179.3	0	0	0	0	0	115.4	S99 T170 F192	S99-G235 WeakPolarHBondContact CB-O 3.5Å; S99-G235 PolarHBondContact OG-O 2.96Å; T170-G235 VanDerWaalsContact O-CA 3.24Å; T170-G235 WeakPolarHBondContact O-CA 3.24Å; T170-G235 PolarHBondContact O-N 3.42Å; F192-G235 VanDerWaalsContact CE1-N 3.29Å
236	A	91.8	Very high	93.6	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.045	C	C	.	.			trans	-161.2	60	179.3	0	0	0	0	0	110.9	S99 V169 D193 N234 N239 P242 A243	S99-A236 VanDerWaalsContact OG-CB 3.28Å; S99-A236 WeakPolarHBondContact OG-CB 3.34Å; V169-A236 HydrophobicContact CB-CB 4.2Å; V169-A236 HydrophobicContact CG1-CB 4.19Å; D193-A236 PolarHBondContact OD1-N 3.35Å; D193-A236 VanDerWaalsContact OD2-CA 3.24Å; D193-A236 WeakPolarHBondContact OD2-CA 3.12Å; N234-A236 WeakPolarHBondContact OD1-CA 3.37Å; N234-A236 PolarHBondContact OD1-N 2.74Å; A236-N239 HydrophobicContact CB-CB 4.35Å; A236-P242 HydrophobicContact CB-CG 3.62Å; A236-P242 WeakPolarHBondContact O-CD 3.15Å; A236-P242 VanDerWaalsContact O-CG 3.27Å; A236-P242 WeakPolarHBondContact O-CG 3.18Å; A236-A243 HydrophobicContact CB-CB 4.01Å
237	E	92.9	Very high	93.8	Very high	14 Å²	14	5.6 Å²	5.6	7%	0.065	3%	0.026	C	C	.	.	S	Bend	trans	-81.9	-48.5	167.3	-167.7	-72.2	158.2	0	0	110	H191 D193 N234 N239 I240 L241	H191-E237 HydrophobicContact CB-CB 3.47Å; H191-E237 VanDerWaalsContact CB-CB 3.47Å; H191-E237 HydrophobicContact CB-CG 4.22Å; D193-E237 PolarHBondContact OD1-N 3.05Å; D193-E237 PolarHBondContact OD2-N 3.25Å; N234-E237 PolarHBondContact OD1-N 2.54Å; E237-N239 CarbonylContact O-C 3.33Å; E237-N239 PolarHBondContact O-N 2.86Å; E237-I240 CarbonylContact O-C 3.52Å; E237-I240 VanDerWaalsContact O-CA 3.27Å; E237-I240 WeakPolarHBondContact O-CA 3.13Å; E237-I240 PolarHBondContact O-N 3.49Å; E237-L241 HydrophobicContact CG-CD2 3.75Å; E237-L241 PolarHBondContact O-N 2.96Å; E237-L241 WeakPolarHBondContact OE1-CD2 3.3Å
238	E	87	Confident	93.9	Very high	15 Å²	15	4.1 Å²	4.1	7%	0.07	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.7	-169.3	-68.3	-86.7	-131.5	0	0	112.7	D193 V195 I240 H333	D193-E238 WeakPolarHBondContact OD2-CB 3.42Å; D193-E238 PolarHBondContact OD2-N 2.91Å; V195-E238 HydrophobicContact CG1-CB 4.36Å; V195-E238 HydrophobicContact CG1-CG 4.38Å; V195-E238 WeakPolarHBondContact CG1-OE1 3.41Å; V195-E238 WeakPolarHBondContact CG1-OE2 3.3Å; V195-E238 PolarHBondContact N-OE1 2.7Å; E238-I240 PolarHBondContact O-N 2.82Å; E238-H333 IonicContact OE1-NE2 2.74Å; E238-H333 IonicContact OE2-CE1 3.33Å; E238-H333 IonicContact OE2-NE2 3.25Å; E238-H333 PolarHBondContact OE2-NE2 2.8Å
239	N	81.5	Confident	93.9	Very high	5 Å²	5	5.7 Å²	5.7	3%	0.027	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	19.6	173.1	-97.8	32.4	0	0	0	112.3	Q164 A236 E237 P242 Y745 Q825	Q164-N239 PolarHBondContact NE2-O 3.43Å; Q164-N239 VanDerWaalsContact NE2-O 3.08Å; A236-N239 HydrophobicContact CB-CB 4.35Å; E237-N239 CarbonylContact O-C 3.33Å; E237-N239 PolarHBondContact O-N 2.86Å; N239-P242 HydrophobicContact CB-CG 4.33Å; N239-P242 WeakPolarHBondContact O-CD 3.49Å; N239-Y745 PolarHBondContact OD1-OH 2.97Å; N239-Q825 VanDerWaalsContact CB-CD 3.48Å; N239-Q825 VanDerWaalsContact CG-CD 3.43Å; N239-Q825 PolarHBondContact ND2-NE2 3.19Å; N239-Q825 VanDerWaalsContact ND2-NE2 3.18Å; N239-Q825 PolarHBondContact ND2-OE1 3.37Å; N239-Q825 PolarHBondContact O-NE2 2.04Å; N239-Q825 PolarHBondContact O-OE1 3.38Å
240	I	85.9	Confident	93.8	Very high	27 Å²	27	10 Å²	10	14%	0.138	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	59.3	-179.7	-42.6	-55.3	0	0	0	113.6	F154 L156 F162 E237 E238 P242 I746	F154-I240 WeakPolarHBondContact CZ-O 3.31Å; L156-I240 HydrophobicContact CD1-CB 4.5Å; L156-I240 HydrophobicContact CD1-CG2 3.21Å; F162-I240 HydrophobicContact CE2-CG2 4.21Å; F162-I240 HydrophobicContact CZ-CB 4.28Å; F162-I240 HydrophobicContact CZ-CG1 4.17Å; F162-I240 HydrophobicContact CZ-CG2 3.63Å; E237-I240 CarbonylContact O-C 3.52Å; E237-I240 VanDerWaalsContact O-CA 3.27Å; E237-I240 WeakPolarHBondContact O-CA 3.13Å; E237-I240 PolarHBondContact O-N 3.49Å; E238-I240 PolarHBondContact O-N 2.82Å; I240-P242 WeakPolarHBondContact O-CD 3.49Å; I240-I746 HydrophobicContact CD1-CD1 4.06Å
241	L	90.9	Very high	93.8	Very high	4 Å²	4	10.3 Å²	10.3	2%	0.021	5%	0.054	C	C	.	.	S	Bend	trans	64.7	17	165.8	-35.7	178.6	0	0	0	119.1	F154 E237 A243 H245 E306 T307 I311	F154-L241 HydrophobicContact CZ-CB 4.46Å; E237-L241 HydrophobicContact CG-CD2 3.75Å; E237-L241 PolarHBondContact O-N 2.96Å; E237-L241 WeakPolarHBondContact OE1-CD2 3.3Å; L241-A243 PolarHBondContact O-N 2.83Å; L241-H245 PolarHBondContact O-N 3.32Å; L241-E306 HydrophobicContact CD1-CB 4.46Å; L241-T307 WeakPolarHBondContact CD1-O 3.5Å; L241-I311 HydrophobicContact CB-CD1 4.05Å; L241-I311 HydrophobicContact CB-CG1 3.64Å; L241-I311 HydrophobicContact CD1-CD1 4.06Å; L241-I311 HydrophobicContact CD1-CG1 3.81Å; L241-I311 HydrophobicContact CG-CG1 4.35Å
242	P	90.6	Very high	93.6	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.5	-36.9	-175.4	23.8	-37.5	0	0	0	115.5	F154 Y166 V169 A236 N239 I240 H245 G246	F154-P242 HydrophobicContact CE1-CB 4.43Å; Y166-P242 HydrophobicContact CD1-CB 3.31Å; Y166-P242 HydrophobicContact CD2-CB 3.98Å; Y166-P242 HydrophobicContact CE1-CB 3.9Å; Y166-P242 HydrophobicContact CE2-CB 4.48Å; Y166-P242 HydrophobicContact CG-CB 3.36Å; V169-P242 HydrophobicContact CG1-CB 4.44Å; A236-P242 HydrophobicContact CB-CG 3.62Å; A236-P242 WeakPolarHBondContact O-CD 3.15Å; A236-P242 VanDerWaalsContact O-CG 3.27Å; A236-P242 WeakPolarHBondContact O-CG 3.18Å; N239-P242 HydrophobicContact CB-CG 4.33Å; N239-P242 WeakPolarHBondContact O-CD 3.49Å; I240-P242 WeakPolarHBondContact O-CD 3.49Å; P242-H245 PolarHBondContact O-N 3.43Å; P242-G246 PolarHBondContact O-N 3.4Å
243	A	93.7	Very high	93.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-74.7	-36.6	-173.7	0	0	0	0	0	112.7	V169 N171 N234 A236 L241 H245 G246 F247	V169-A243 HydrophobicContact CB-CB 4.33Å; V169-A243 HydrophobicContact CG2-CB 3.84Å; N171-A243 PolarHBondContact ND2-O 3.4Å; N171-A243 WeakPolarHBondContact OD1-CB 3.29Å; N234-A243 WeakPolarHBondContact OD1-CB 3.42Å; A236-A243 HydrophobicContact CB-CB 4.01Å; L241-A243 PolarHBondContact O-N 2.83Å; A243-H245 VanDerWaalsContact C-N 3.29Å; A243-H245 PolarHBondContact O-N 3.25Å; A243-G246 PolarHBondContact O-N 3.28Å; A243-F247 PolarHBondContact O-N 3.42Å
244	A	96.3	Very high	93.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.2	-41.4	168.2	0	0	0	0	0	111.6	N234 G246 F247 I248 D308 I311 F312	N234-A244 PolarHBondContact ND2-N 2.77Å; A244-G246 PolarHBondContact O-N 3.34Å; A244-F247 PolarHBondContact O-N 2.95Å; A244-I248 WeakPolarHBondContact O-CG2 3.37Å; A244-I248 PolarHBondContact O-N 3.26Å; A244-D308 HydrophobicContact CB-CB 3.94Å; A244-D308 VanDerWaalsContact CB-CG 3.42Å; A244-D308 WeakPolarHBondContact CB-OD1 3.21Å; A244-I311 HydrophobicContact CB-CB 4.21Å; A244-I311 HydrophobicContact CB-CG1 4.49Å; A244-I311 HydrophobicContact CB-CG2 4.13Å; A244-F312 HydrophobicContact CB-CE1 4.12Å; A244-F312 HydrophobicContact CB-CE2 4.33Å; A244-F312 HydrophobicContact CB-CZ 3.71Å
245	H	95.1	Very high	93.3	Very high	12 Å²	12	26.6 Å²	26.6	6%	0.056	13%	0.129	C	C	.	.	H	α-helix	trans	-62.8	-45.8	176.5	179	-90.2	0	0	0	110.2	F154 Y166 L241 P242 A243 F247 I248 T249 I311 Y315	F154-H245 WeakPolarHBondContact CB-NE2 3.34Å; F154-H245 HydrophobicContact CD1-CB 4.17Å; F154-H245 AromaticContact CD1-CG 3.73Å; F154-H245 AromaticContact CD1-ND1 3.8Å; F154-H245 HydrophobicContact CE1-CB 4.02Å; F154-H245 AromaticContact CG-CD2 3.78Å; F154-H245 AromaticContact CG-CG 3.95Å; F154-H245 AromaticContact CG-NE2 4Å; F154-H245 HydrophobicContact CZ-CB 4.3Å; Y166-H245 HydrophobicContact CE1-CB 4.43Å; Y166-H245 AromaticContact CE1-ND1 3.61Å; Y166-H245 AromaticContact CZ-ND1 3.61Å; Y166-H245 PolarHBondContact OH-ND1 3.04Å; L241-H245 PolarHBondContact O-N 3.32Å; P242-H245 PolarHBondContact O-N 3.43Å; A243-H245 VanDerWaalsContact C-N 3.29Å; A243-H245 PolarHBondContact O-N 3.25Å; H245-F247 VanDerWaalsContact C-N 3.33Å; H245-F247 PolarHBondContact O-N 2.9Å; H245-I248 PolarHBondContact O-N 3.41Å; H245-T249 VanDerWaalsContact O-CB 3.31Å; H245-T249 WeakPolarHBondContact O-CB 3.44Å; H245-T249 WeakPolarHBondContact O-CG2 3.33Å; H245-T249 PolarHBondContact O-N 3.29Å; H245-T249 PolarHBondContact O-OG1 3.08Å; H245-I311 VanDerWaalsContact CA-CG2 3.41Å; H245-I311 HydrophobicContact CB-CD1 4.47Å; H245-I311 HydrophobicContact CB-CG2 3.88Å; H245-Y315 AromaticContact CD2-CD1 3.67Å; H245-Y315 AromaticContact CD2-CD2 3.95Å; H245-Y315 AromaticContact CD2-CE1 3.75Å; H245-Y315 AromaticContact CD2-CG 3.78Å; H245-Y315 AromaticContact CD2-CZ 3.95Å; H245-Y315 AromaticContact NE2-CD1 3.55Å; H245-Y315 AromaticContact NE2-CE1 3.52Å
246	G	95	Very high	93.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.8	-36	176.7	0	0	0	0	0	114.1	Q148 P150 Y166 P242 A243 A244 L250	Q148-G246 PolarHBondContact NE2-O 3.43Å; P150-G246 VanDerWaalsContact CG-CA 3.48Å; Y166-G246 WeakPolarHBondContact OH-CA 3.33Å; Y166-G246 PolarHBondContact OH-N 3.05Å; Y166-G246 VanDerWaalsContact OH-N 3.09Å; P242-G246 PolarHBondContact O-N 3.4Å; A243-G246 PolarHBondContact O-N 3.28Å; A244-G246 PolarHBondContact O-N 3.34Å; G246-L250 VanDerWaalsContact O-CB 3.32Å; G246-L250 WeakPolarHBondContact O-CB 3.36Å; G246-L250 PolarHBondContact O-N 3.41Å
247	F	98	Very high	93.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-66.4	-58.2	174.4	176	-100.4	0	0	0	111.2	V173 L187 V230 L232 A243 A244 H245 T249 L250 H251 I257 F312	V173-F247 HydrophobicContact CG1-CE2 3.91Å; V173-F247 HydrophobicContact CG2-CD2 3.99Å; V173-F247 HydrophobicContact CG2-CE2 3.96Å; L187-F247 HydrophobicContact CD1-CE1 3.84Å; L187-F247 HydrophobicContact CD1-CZ 4.1Å; L187-F247 HydrophobicContact CD2-CE1 4.05Å; V230-F247 HydrophobicContact CG1-CZ 4.14Å; L232-F247 HydrophobicContact CD1-CB 4.27Å; L232-F247 HydrophobicContact CD1-CD2 3.82Å; L232-F247 HydrophobicContact CD1-CE2 4.27Å; L232-F247 HydrophobicContact CD1-CG 3.98Å; L232-F247 HydrophobicContact CD2-CB 3.91Å; L232-F247 HydrophobicContact CD2-CD1 3.55Å; L232-F247 HydrophobicContact CD2-CD2 4.23Å; L232-F247 HydrophobicContact CD2-CE1 4.03Å; L232-F247 HydrophobicContact CD2-CG 3.63Å; L232-F247 HydrophobicContact CG-CG 4.48Å; A243-F247 PolarHBondContact O-N 3.42Å; A244-F247 PolarHBondContact O-N 2.95Å; H245-F247 VanDerWaalsContact C-N 3.33Å; H245-F247 PolarHBondContact O-N 2.9Å; F247-T249 VanDerWaalsContact C-N 3.25Å; F247-T249 PolarHBondContact O-N 3.19Å; F247-L250 PolarHBondContact O-N 2.82Å; F247-H251 HydrophobicContact CD2-CB 3.62Å; F247-H251 AromaticContact CD2-CG 3.74Å; F247-H251 HydrophobicContact CE2-CB 3.86Å; F247-H251 AromaticContact CE2-CG 3.66Å; F247-H251 AromaticContact CE2-ND1 3.78Å; F247-H251 HydrophobicContact CG-CB 4.25Å; F247-H251 WeakPolarHBondContact O-CB 3.32Å; F247-H251 PolarHBondContact O-N 2.78Å; F247-I257 HydrophobicContact CE1-CD1 3.38Å; F247-I257 HydrophobicContact CZ-CD1 3.66Å; F247-F312 HydrophobicContact CD1-CE1 4.11Å
248	I	97.3	Very high	93.6	Very high	8 Å²	8	30.2 Å²	30.2	4%	0.041	15%	0.145	C	C	.	.	H	α-helix	trans	-70.5	-22.8	-171.2	-159.1	62.5	0	0	0	112.8	A244 H245 R254 I257 I311 F312 G316 L318	A244-I248 WeakPolarHBondContact O-CG2 3.37Å; A244-I248 PolarHBondContact O-N 3.26Å; H245-I248 PolarHBondContact O-N 3.41Å; I248-R254 HydrophobicContact CD1-CB 4.22Å; I248-R254 WeakPolarHBondContact O-CD 3.25Å; I248-R254 PolarHBondContact O-NH1 2.93Å; I248-I257 HydrophobicContact CD1-CD1 4.49Å; I248-I311 HydrophobicContact CG2-CG2 3.8Å; I248-F312 HydrophobicContact CB-CD1 3.98Å; I248-F312 HydrophobicContact CB-CE1 4.22Å; I248-F312 HydrophobicContact CD1-CD1 4.16Å; I248-F312 HydrophobicContact CG1-CD1 4.08Å; I248-G316 VanDerWaalsContact CG1-CA 3.4Å; I248-L318 HydrophobicContact CD1-CD1 3.73Å
249	T	95.7	Very high	94	Very high	33 Å²	33	29.5 Å²	29.5	20%	0.202	14%	0.142	C	C	.	.	H	α-helix	trans	-98.2	-11	-179.9	65	0	0	0	0	115.3	H245 F247 R254 Y315	H245-T249 VanDerWaalsContact O-CB 3.31Å; H245-T249 WeakPolarHBondContact O-CB 3.44Å; H245-T249 WeakPolarHBondContact O-CG2 3.33Å; H245-T249 PolarHBondContact O-N 3.29Å; H245-T249 PolarHBondContact O-OG1 3.08Å; F247-T249 VanDerWaalsContact C-N 3.25Å; F247-T249 PolarHBondContact O-N 3.19Å; T249-R254 VanDerWaalsContact CA-NH1 3.35Å; T249-R254 PolarHBondContact O-NH1 3.28Å; T249-Y315 HydrophobicContact CG2-CD1 4.32Å
250	L	96.2	Very high	94.6	Very high	90 Å²	90	29.2 Å²	29.2	47%	0.471	14%	0.14	S	C	.	.	H	α-helix	trans	-134.5	-27.3	-176.6	-57.7	168.5	0	0	0	114.4	P150 S151 G246 F247	P150-L250 HydrophobicContact CB-CD1 3.64Å; S151-L250 WeakPolarHBondContact O-CD1 3.42Å; G246-L250 VanDerWaalsContact O-CB 3.32Å; G246-L250 WeakPolarHBondContact O-CB 3.36Å; G246-L250 PolarHBondContact O-N 3.41Å; F247-L250 PolarHBondContact O-N 2.82Å
251	H	96.9	Very high	95.1	Very high	8 Å²	8	28 Å²	28	4%	0.037	13%	0.134	C	C	.	.			trans	-71	134.6	-173.7	-161.2	-88.2	0	0	0	112.1	E146 Q148 F247 L253 R254	E146-H251 IonicContact OE1-CE1 3.31Å; E146-H251 PolarHBondContact OE1-CE1 2.85Å; E146-H251 IonicContact OE1-NE2 3.18Å; E146-H251 PolarHBondContact OE1-NE2 2.82Å; Q148-H251 VanDerWaalsContact CD-CD2 3.48Å; F247-H251 HydrophobicContact CD2-CB 3.62Å; F247-H251 AromaticContact CD2-CG 3.74Å; F247-H251 HydrophobicContact CE2-CB 3.86Å; F247-H251 AromaticContact CE2-CG 3.66Å; F247-H251 AromaticContact CE2-ND1 3.78Å; F247-H251 HydrophobicContact CG-CB 4.25Å; F247-H251 WeakPolarHBondContact O-CB 3.32Å; F247-H251 PolarHBondContact O-N 2.78Å; H251-L253 VanDerWaalsContact C-N 3.28Å; H251-L253 VanDerWaalsContact ND1-CB 3.34Å; H251-L253 WeakPolarHBondContact ND1-CB 3.49Å; H251-L253 PolarHBondContact ND1-N 3.19Å; H251-L253 PolarHBondContact O-N 3.03Å; H251-R254 VanDerWaalsContact O-CB 3.31Å; H251-R254 WeakPolarHBondContact O-CB 3.49Å; H251-R254 WeakPolarHBondContact O-CD 3.23Å; H251-R254 WeakPolarHBondContact O-CG 3.19Å; H251-R254 PolarHBondContact O-N 3.46Å; H251-R254 VanDerWaalsContact O-N 3.1Å
252	P	96	Very high	95.3	Very high	93 Å²	93	27.8 Å²	27.8	60%	0.604	13%	0.133	S	C	*	.	G	3₁₀ helix	trans	-57.8	-35.3	178.3	-27.1	35.4	0	0	0	114.4	R254 Y255	P252-R254 PolarHBondContact O-N 3.42Å; P252-R254 VanDerWaalsContact O-N 3.16Å; P252-Y255 WeakPolarHBondContact O-CD2 3.42Å
253	L	95.9	Very high	95.5	Very high	10 Å²	10	28 Å²	28	5%	0.052	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-63.1	-17.3	178.3	-67.2	175	0	0	0	114.1	V173 I182 V230 H251 Y255 A256	V173-L253 HydrophobicContact CG1-CD1 3.94Å; I182-L253 HydrophobicContact CD1-CD2 3.94Å; I182-L253 HydrophobicContact CG1-CD2 4.04Å; I182-L253 HydrophobicContact CG2-CD2 3.98Å; V230-L253 HydrophobicContact CG2-CD1 4.28Å; H251-L253 VanDerWaalsContact C-N 3.28Å; H251-L253 VanDerWaalsContact ND1-CB 3.34Å; H251-L253 WeakPolarHBondContact ND1-CB 3.49Å; H251-L253 PolarHBondContact ND1-N 3.19Å; H251-L253 PolarHBondContact O-N 3.03Å; L253-Y255 PolarHBondContact O-N 3.39Å; L253-A256 VanDerWaalsContact O-CB 3.29Å; L253-A256 WeakPolarHBondContact O-CB 3.38Å; L253-A256 PolarHBondContact O-N 2.71Å
254	R	94.5	Very high	95.4	Very high	72 Å²	72	28.2 Å²	28.2	27%	0.272	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-52.6	-34.7	-179.9	74.3	-174.9	173.8	171.2	-10.7	113.4	I248 T249 H251 P252 A256 I257	I248-R254 HydrophobicContact CD1-CB 4.22Å; I248-R254 WeakPolarHBondContact O-CD 3.25Å; I248-R254 PolarHBondContact O-NH1 2.93Å; T249-R254 VanDerWaalsContact CA-NH1 3.35Å; T249-R254 PolarHBondContact O-NH1 3.28Å; H251-R254 VanDerWaalsContact O-CB 3.31Å; H251-R254 WeakPolarHBondContact O-CB 3.49Å; H251-R254 WeakPolarHBondContact O-CD 3.23Å; H251-R254 WeakPolarHBondContact O-CG 3.19Å; H251-R254 PolarHBondContact O-N 3.46Å; H251-R254 VanDerWaalsContact O-N 3.1Å; P252-R254 PolarHBondContact O-N 3.42Å; P252-R254 VanDerWaalsContact O-N 3.16Å; R254-A256 PolarHBondContact O-N 2.98Å; R254-I257 PolarHBondContact O-N 2.97Å
255	Y	94.8	Very high	94.3	Very high	168 Å²	168	28.2 Å²	28.2	66%	0.659	14%	0.135	S	C	*	.	G	3₁₀ helix	trans	-73	-17.6	-177.7	-59.1	-65.7	0	0	0	112.8	P252 L253	P252-Y255 WeakPolarHBondContact O-CD2 3.42Å; L253-Y255 PolarHBondContact O-N 3.39Å
256	A	94.7	Very high	92.7	Very high	11 Å²	11	29.1 Å²	29.1	9%	0.091	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-85.3	-23.7	176.6	0	0	0	0	0	112.4	I182 R183 S184 A185 L253 R254 R258	I182-A256 HydrophobicContact CG2-CB 3.55Å; R183-A256 WeakPolarHBondContact O-CB 3.35Å; S184-A256 CarbonylContact C-O 3.32Å; S184-A256 VanDerWaalsContact CA-O 3.3Å; S184-A256 WeakPolarHBondContact CA-O 3.21Å; A185-A256 HydrophobicContact CB-CB 4.46Å; A185-A256 PolarHBondContact N-O 3.1Å; L253-A256 VanDerWaalsContact O-CB 3.29Å; L253-A256 WeakPolarHBondContact O-CB 3.38Å; L253-A256 PolarHBondContact O-N 2.71Å; R254-A256 PolarHBondContact O-N 2.98Å; A256-R258 PolarHBondContact O-N 3.48Å
257	I	95.6	Very high	90.5	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.026	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	130.1	-172.7	-56.9	170.9	0	0	0	109.5	A185 L187 F247 I248 R254 S259 L318	A185-I257 WeakPolarHBondContact O-CA 3.41Å; L187-I257 HydrophobicContact CB-CD1 4.15Å; L187-I257 HydrophobicContact CB-CG1 4.48Å; L187-I257 HydrophobicContact CB-CG2 3.71Å; L187-I257 HydrophobicContact CD1-CD1 4.29Å; L187-I257 HydrophobicContact CD2-CD1 4.19Å; L187-I257 HydrophobicContact CG-CD1 4.45Å; F247-I257 HydrophobicContact CE1-CD1 3.38Å; F247-I257 HydrophobicContact CZ-CD1 3.66Å; I248-I257 HydrophobicContact CD1-CD1 4.49Å; R254-I257 PolarHBondContact O-N 2.97Å; I257-S259 VanDerWaalsContact CG2-O 3.3Å; I257-S259 WeakPolarHBondContact CG2-O 3.29Å; I257-L318 HydrophobicContact CB-CD1 4.1Å; I257-L318 HydrophobicContact CG2-CD1 3.47Å; I257-L318 VanDerWaalsContact CG2-CD1 3.47Å; I257-L318 HydrophobicContact CG2-CD2 4.27Å; I257-L318 HydrophobicContact CG2-CG 4.49Å; I257-L318 WeakPolarHBondContact O-CD2 3.48Å
258	R	94.3	Very high	88	Confident	73 Å²	73	30.1 Å²	30.1	28%	0.275	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-26.8	179.3	-59.3	-54.7	-173.6	-178.8	2.2	113.3	S184 A185 A256 P319 M367	S184-R258 PolarHBondContact OG-NE 3.25Å; A185-R258 PolarHBondContact O-N 2.79Å; A256-R258 PolarHBondContact O-N 3.48Å; R258-P319 WeakPolarHBondContact O-CD 3.41Å; R258-P319 WeakPolarHBondContact O-CG 3.18Å; R258-M367 HydrophobicContact CB-CE 4.02Å; R258-M367 HydrophobicContact CB-SD 3.93Å; R258-M367 HydrophobicContact CG-CE 4.49Å
259	S	94.8	Very high	85	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	169	176.2	58.5	0	0	0	0	110.1	L186 L187 I257 P319 M367	L186-S259 WeakPolarHBondContact CD1-OG 3.5Å; L187-S259 PolarHBondContact N-O 2.91Å; I257-S259 VanDerWaalsContact CG2-O 3.3Å; I257-S259 WeakPolarHBondContact CG2-O 3.29Å; S259-P319 CarbonylContact C-O 3.51Å; S259-P319 WeakPolarHBondContact CA-O 3.22Å; S259-P319 VanDerWaalsContact CB-O 3.29Å; S259-P319 WeakPolarHBondContact CB-O 3.45Å; S259-M367 PolarHBondContact OG-SD 3.21Å
260	F	95.5	Very high	82.3	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	148.7	179.4	74.7	-86.9	0	0	0	114.4	L187 N262 M277 F309 F312 L318 P319 G320 I321	L187-F260 HydrophobicContact CB-CB 3.74Å; L187-F260 HydrophobicContact CD2-CB 3.94Å; L187-F260 HydrophobicContact CG-CB 4.12Å; L187-F260 CarbonylContact O-C 3.56Å; L187-F260 WeakPolarHBondContact O-CA 3.44Å; F260-N262 HydrophobicContact CD2-CB 4.21Å; F260-N262 HydrophobicContact CE2-CB 4.08Å; F260-M277 WeakPolarHBondContact O-CE 3.45Å; F260-F309 HydrophobicContact CE2-CB 3.99Å; F260-F309 AromaticContact CE2-CD2 3.31Å; F260-F309 HydrophobicContact CE2-CD2 3.31Å; F260-F309 AromaticContact CE2-CE2 3.96Å; F260-F309 HydrophobicContact CE2-CE2 3.96Å; F260-F309 AromaticContact CE2-CG 3.85Å; F260-F309 HydrophobicContact CE2-CG 3.85Å; F260-F309 HydrophobicContact CZ-CB 4.35Å; F260-F309 AromaticContact CZ-CD2 3.38Å; F260-F309 HydrophobicContact CZ-CD2 3.38Å; F260-F309 AromaticContact CZ-CE2 3.65Å; F260-F309 HydrophobicContact CZ-CE2 3.65Å; F260-F309 AromaticContact CZ-CG 3.85Å; F260-F309 HydrophobicContact CZ-CG 3.85Å; F260-F309 HydrophobicContact CZ-CZ 4.33Å; F260-F312 HydrophobicContact CD1-CB 3.66Å; F260-F312 HydrophobicContact CD1-CG 4.47Å; F260-F312 HydrophobicContact CD2-CB 4.04Å; F260-F312 AromaticContact CD2-CD2 3.76Å; F260-F312 HydrophobicContact CD2-CD2 3.76Å; F260-F312 HydrophobicContact CD2-CG 4.22Å; F260-F312 HydrophobicContact CE1-CB 3.46Å; F260-F312 VanDerWaalsContact CE1-CB 3.46Å; F260-F312 HydrophobicContact CE2-CB 3.88Å; F260-F312 AromaticContact CE2-CD2 3.88Å; F260-F312 HydrophobicContact CE2-CD2 3.88Å; F260-F312 HydrophobicContact CE2-CG 4.34Å; F260-F312 HydrophobicContact CG-CB 3.93Å; F260-F312 HydrophobicContact CG-CD2 4.25Å; F260-F312 HydrophobicContact CG-CG 4.29Å; F260-F312 HydrophobicContact CZ-CB 3.59Å; F260-F312 HydrophobicContact CZ-CD2 4.44Å; F260-L318 HydrophobicContact CD1-CB 3.65Å; F260-L318 HydrophobicContact CD1-CD1 4.41Å; F260-L318 HydrophobicContact CE1-CB 4.02Å; F260-L318 VanDerWaalsContact CE1-O 3.29Å; F260-L318 WeakPolarHBondContact CE1-O 3.06Å; F260-P319 WeakPolarHBondContact CD1-O 3.19Å; F260-P319 PolarHBondContact N-O 2.96Å; F260-G320 VanDerWaalsContact CE1-CA 3.46Å; F260-G320 CarbonylContact O-C 3.51Å; F260-G320 WeakPolarHBondContact O-CA 3.29Å; F260-I321 PolarHBondContact O-N 3.17Å; F260-I321 VanDerWaalsContact O-N 3.1Å
261	I	95.8	Very high	79.7	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	119.8	166.9	-58	172.2	0	0	0	106.8	L186 L187 L188 N189 L263 M277 I321 I323 M357 V358	L186-I261 HydrophobicContact CD1-CG1 4.32Å; L186-I261 HydrophobicContact CD2-CD1 4.27Å; L187-I261 PolarHBondContact O-N 2.98Å; L188-I261 WeakPolarHBondContact CA-O 3.34Å; L188-I261 HydrophobicContact CD2-CB 3.72Å; L188-I261 HydrophobicContact CD2-CD1 3.74Å; L188-I261 HydrophobicContact CD2-CG1 4Å; N189-I261 PolarHBondContact N-O 2.76Å; I261-L263 HydrophobicContact CG2-CD2 3.91Å; I261-M277 HydrophobicContact CG1-CE 4.15Å; I261-I321 HydrophobicContact CB-CG2 4.3Å; I261-I321 HydrophobicContact CG1-CG2 3.96Å; I261-I321 HydrophobicContact CG2-CG2 4.05Å; I261-I323 HydrophobicContact CG2-CD1 4.01Å; I261-M357 HydrophobicContact CD1-CB 4.21Å; I261-M357 HydrophobicContact CD1-CG 3.61Å; I261-M357 HydrophobicContact CG1-CG 4.44Å; I261-V358 HydrophobicContact CD1-CG2 4.01Å
262	N	95.7	Very high	77.8	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	130.3	173.8	-168.9	69.8	0	0	0	109.4	N189 F260 D308 F309 I321 D322 I323	N189-N262 PolarHBondContact ND2-OD1 2.63Å; F260-N262 HydrophobicContact CD2-CB 4.21Å; F260-N262 HydrophobicContact CE2-CB 4.08Å; N262-D308 WeakPolarHBondContact OD1-CB 3.15Å; N262-F309 HydrophobicContact CB-CB 3.97Å; N262-I321 PolarHBondContact N-O 2.86Å; N262-D322 WeakPolarHBondContact CB-OD1 3.05Å; N262-D322 PolarHBondContact ND2-OD1 3.21Å; N262-I323 PolarHBondContact O-N 3.2Å
263	L	95.2	Very high	76.1	Confident	6 Å²	6	26.8 Å²	26.8	3%	0.031	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	142.6	172.6	-53.9	-171.7	0	0	0	109.1	N189 C190 S207 V210 L211 I261 I323 V354	N189-L263 PolarHBondContact O-N 2.87Å; C190-L263 HydrophobicContact CB-CB 4.45Å; S207-L263 WeakPolarHBondContact OG-CB 3.39Å; V210-L263 HydrophobicContact CB-CD1 4.46Å; V210-L263 HydrophobicContact CG1-CD1 4.09Å; L211-L263 HydrophobicContact CD2-CD1 3.47Å; L211-L263 VanDerWaalsContact CD2-CD1 3.47Å; L211-L263 HydrophobicContact CD2-CG 4.33Å; L211-L263 HydrophobicContact CG-CD1 3.95Å; I261-L263 HydrophobicContact CG2-CD2 3.91Å; L263-I323 WeakPolarHBondContact CA-O 3.4Å; L263-I323 HydrophobicContact CD2-CB 3.97Å; L263-I323 HydrophobicContact CD2-CD1 4.41Å; L263-I323 HydrophobicContact CD2-CG2 4.49Å; L263-V354 HydrophobicContact CD1-CG1 4.46Å; L263-V354 HydrophobicContact CD1-CG2 4.29Å; L263-V354 HydrophobicContact CD2-CG1 4.35Å; L263-V354 HydrophobicContact CD2-CG2 3.6Å
264	E	90.8	Very high	75.1	Confident	3 Å²	3	26.3 Å²	26.3	1%	0.014	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	154.3	-171.2	-170.4	53.9	-90.1	0	0	114.6	H191 T307 I323 A324 F325	H191-E264 IonicContact CD2-OE1 2.86Å; H191-E264 IonicContact CD2-OE2 3.26Å; H191-E264 IonicContact NE2-OE1 2.79Å; H191-E264 PolarHBondContact NE2-OE1 2.86Å; H191-E264 VanDerWaalsContact NE2-OE1 3.13Å; E264-T307 HydrophobicContact CG-CG2 3.71Å; E264-I323 PolarHBondContact N-O 3.29Å; E264-I323 VanDerWaalsContact N-O 3.11Å; E264-A324 HydrophobicContact CB-CB 4.23Å; E264-A324 CarbonylContact O-C 3.58Å; E264-A324 WeakPolarHBondContact O-CA 3.43Å; E264-F325 PolarHBondContact O-N 3.02Å
265	G	72.4	Confident	74.4	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	109.7	160.8	0	0	0	0	0	111.6	S202 G267 Y332	S202-G265 VanDerWaalsContact O-CA 3.25Å; S202-G265 WeakPolarHBondContact O-CA 3.33Å; G265-G267 PolarHBondContact O-N 3.09Å; G265-Y332 WeakPolarHBondContact O-CE2 3.26Å
266	A	62.6	Low	74.1	Confident	30 Å²	30	16.7 Å²	16.7	25%	0.248	10%	0.096	C	C	.	.	S	Bend	trans	53	44.9	171.6	0	0	0	0	0	116.7	F325 Y332	A266-F325 WeakPolarHBondContact CA-O 3.43Å; A266-F325 PolarHBondContact N-O 3Å; A266-Y332 HydrophobicContact CB-CD2 3.8Å; A266-Y332 HydrophobicContact CB-CE2 3.8Å; A266-Y332 HydrophobicContact CB-CG 4.36Å
267	G	48.2	Very low	73.8	Confident	9 Å²	9	16.1 Å²	16.1	9%	0.093	9%	0.092	C	C	.	.			trans	-116.7	168.4	-176.1	0	0	0	0	0	116.4	G265 A324	G265-G267 PolarHBondContact O-N 3.09Å; G267-A324 WeakPolarHBondContact O-CB 3.34Å
268	A	46.1	Very low	73.4	Confident	12 Å²	12	16.2 Å²	16.2	10%	0.099	9%	0.092	C	C	.	.			trans	-145	121.2	159.9	0	0	0	0	0	109.9	G270 F298 A305	A268-G270 PolarHBondContact O-N 3.39Å; A268-F298 HydrophobicContact CB-CB 3.41Å; A268-F298 VanDerWaalsContact CB-CB 3.41Å; A268-F298 HydrophobicContact CB-CD1 3.26Å; A268-F298 HydrophobicContact CB-CD2 3.91Å; A268-F298 HydrophobicContact CB-CE1 3.86Å; A268-F298 HydrophobicContact CB-CE2 4.44Å; A268-F298 HydrophobicContact CB-CG 3.27Å; A268-F298 HydrophobicContact CB-CZ 4.4Å; A268-A305 HydrophobicContact CB-CB 4.48Å; A268-A305 CarbonylContact O-C 3.57Å
269	G	34.6	Very low	73.1	Confident	1 Å²	1	16.2 Å²	16.2	1%	0.01	10%	0.098	C	C	.	.			trans	-82.9	13.9	176	0	0	0	0	0	115.3	T307 F309 R313 D322	G269-T307 WeakPolarHBondContact CA-OG1 3.43Å; G269-T307 PolarHBondContact N-OG1 3.09Å; G269-F309 VanDerWaalsContact O-CD1 3.3Å; G269-F309 WeakPolarHBondContact O-CD1 3.45Å; G269-R313 PolarHBondContact O-NH1 3.16Å; G269-D322 PolarHBondContact N-OD2 3.27Å
270	G	38.8	Very low	73	Confident	23 Å²	23	17.7 Å²	17.7	24%	0.237	11%	0.106	C	C	.	.	S	Bend	trans	91.8	-162.5	-176.6	0	0	0	0	0	114	A268 L272	A268-G270 PolarHBondContact O-N 3.39Å; G270-L272 PolarHBondContact O-N 3.17Å
271	P	40.7	Very low	72.8	Confident	41 Å²	41	18.5 Å²	18.5	27%	0.266	11%	0.109	S	C	.	.			trans	-63.2	127.1	-168.5	23.3	-35.2	0	0	0	113.3	K273 Q299 R313	P271-K273 PolarHBondContact O-N 3.3Å; P271-Q299 VanDerWaalsContact CA-NE2 3.33Å; P271-Q299 HydrophobicContact CB-CG 4Å; P271-Q299 VanDerWaalsContact CB-NE2 3.27Å; P271-R313 VanDerWaalsContact CD-NH1 3.3Å
272	L	56.7	Low	72.5	Confident	16 Å²	16	18.8 Å²	18.8	8%	0.084	11%	0.111	C	C	.	.			trans	-67.1	105.9	168.8	-177.6	72.5	0	0	0	109.6	G270 L278 H295 F309 G320 I321 Y377	G270-L272 PolarHBondContact O-N 3.17Å; L272-L278 HydrophobicContact CD2-CB 3.81Å; L272-L278 HydrophobicContact CD2-CD1 3.93Å; L272-L278 HydrophobicContact CD2-CD2 4.25Å; L272-L278 HydrophobicContact CD2-CG 4.19Å; L272-H295 PolarHBondContact N-NE2 2.88Å; L272-H295 VanDerWaalsContact N-NE2 3.15Å; L272-F309 HydrophobicContact CD1-CE2 4.18Å; L272-F309 HydrophobicContact CD1-CZ 4.33Å; L272-G320 WeakPolarHBondContact CD1-O 3.42Å; L272-I321 HydrophobicContact CD1-CB 4.05Å; L272-I321 HydrophobicContact CD1-CG1 4.01Å; L272-Y377 WeakPolarHBondContact O-CD1 3.16Å; L272-Y377 WeakPolarHBondContact O-CE1 3.47Å; L272-Y377 PolarHBondContact O-OH 2.81Å
273	K	61.8	Low	72.3	Confident	81 Å²	81	24.4 Å²	24.4	35%	0.352	14%	0.14	S	C	.	.			trans	-91.3	3.4	-178.3	-66.8	-175.3	179.5	176.6	0	115.1	P271 E373 D374	P271-K273 PolarHBondContact O-N 3.3Å; K273-E373 HydrophobicContact CB-CB 4.28Å; K273-E373 HydrophobicContact CB-CG 4.27Å; K273-E373 WeakPolarHBondContact CB-OE2 3.24Å; K273-E373 WeakPolarHBondContact CD-OE2 3.29Å; K273-D374 PolarHBondContact O-N 2.84Å; K273-D374 VanDerWaalsContact O-O 3.11Å
274	S	73.6	Confident	72.3	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-110.5	89.5	-172.4	-175.1	0	0	0	0	111.7	W276 M277 L278 P319	S274-W276 PolarHBondContact O-N 3.21Å; S274-W276 VanDerWaalsContact OG-CD1 3.26Å; S274-W276 PolarHBondContact OG-NE1 3.34Å; S274-M277 PolarHBondContact O-N 3.07Å; S274-M277 WeakPolarHBondContact OG-CB 3.35Å; S274-M277 WeakPolarHBondContact OG-CG 3.26Å; S274-M277 PolarHBondContact OG-N 3.32Å; S274-L278 PolarHBondContact O-N 3.31Å; S274-L278 VanDerWaalsContact O-N 3.13Å; S274-P319 WeakPolarHBondContact OG-CB 3.26Å
275	S	80.6	Confident	72.3	Confident	14 Å²	14	28.3 Å²	28.3	10%	0.098	16%	0.162	C	C	.	.	H	α-helix	trans	-61.4	-34.4	178.4	76.6	0	0	0	0	112.5	L278 N279 D374	S275-L278 WeakPolarHBondContact O-CB 3.43Å; S275-L278 PolarHBondContact O-N 3.41Å; S275-N279 WeakPolarHBondContact O-CB 3.01Å; S275-N279 PolarHBondContact O-N 3.49Å; S275-N279 PolarHBondContact O-ND2 2.64Å; S275-D374 WeakPolarHBondContact CB-OD1 3.25Å; S275-D374 PolarHBondContact OG-OD1 3.33Å
276	W	87	Confident	73.3	Confident	24 Å²	24	31.4 Å²	31.4	9%	0.091	18%	0.182	C	C	.	.	H	α-helix	trans	-69	-39	-179.8	71.6	-93.4	0	0	0	111.8	S274 N279 L280 P319 V361 C366	S274-W276 PolarHBondContact O-N 3.21Å; S274-W276 VanDerWaalsContact OG-CD1 3.26Å; S274-W276 PolarHBondContact OG-NE1 3.34Å; W276-N279 PolarHBondContact O-N 3Å; W276-L280 HydrophobicContact CE3-CD1 3.49Å; W276-L280 VanDerWaalsContact CE3-CD1 3.49Å; W276-L280 HydrophobicContact CE3-CG 4.31Å; W276-L280 HydrophobicContact CZ3-CD1 3.44Å; W276-L280 VanDerWaalsContact CZ3-CD1 3.44Å; W276-L280 WeakPolarHBondContact O-CG 3.44Å; W276-L280 PolarHBondContact O-N 3.35Å; W276-P319 HydrophobicContact CZ2-CB 4.17Å; W276-P319 HydrophobicContact CZ2-CG 3.96Å; W276-V361 HydrophobicContact CH2-CG1 4.09Å; W276-V361 HydrophobicContact CZ3-CG1 4.21Å; W276-V361 HydrophobicContact CZ3-CG2 4.26Å; W276-C366 HydrophobicContact CD2-CB 3.68Å; W276-C366 HydrophobicContact CE3-CB 3.83Å; W276-C366 HydrophobicContact CG-CB 4.2Å; W276-C366 HydrophobicContact CH2-CB 4.24Å; W276-C366 HydrophobicContact CZ2-CB 4.09Å; W276-C366 HydrophobicContact CZ3-CB 4.1Å
277	M	89	Confident	74.6	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.8	-39.9	175	-72.9	-174.8	77.8	0	0	111.6	F260 I261 S274 N279 L280 Y281 P319 G320 I321 M357 V361	F260-M277 WeakPolarHBondContact O-CE 3.45Å; I261-M277 HydrophobicContact CG1-CE 4.15Å; S274-M277 PolarHBondContact O-N 3.07Å; S274-M277 WeakPolarHBondContact OG-CB 3.35Å; S274-M277 WeakPolarHBondContact OG-CG 3.26Å; S274-M277 PolarHBondContact OG-N 3.32Å; M277-N279 VanDerWaalsContact C-N 3.33Å; M277-N279 PolarHBondContact O-N 3.08Å; M277-L280 PolarHBondContact O-N 3.17Å; M277-Y281 PolarHBondContact O-N 3.23Å; M277-P319 VanDerWaalsContact SD-C 3.6Å; M277-P319 HydrophobicContact SD-CB 4.29Å; M277-G320 VanDerWaalsContact SD-C 3.51Å; M277-G320 WeakPolarHBondContact SD-CA 3.49Å; M277-I321 HydrophobicContact CE-CB 4.24Å; M277-I321 HydrophobicContact CE-CG2 3.88Å; M277-M357 HydrophobicContact CB-CE 3.92Å; M277-M357 HydrophobicContact CE-CE 3.9Å; M277-M357 HydrophobicContact CG-CE 4.34Å; M277-M357 WeakPolarHBondContact O-CE 3.35Å; M277-V361 HydrophobicContact CE-CG2 4.38Å
278	L	87.6	Confident	76.5	Confident	6 Å²	6	33.2 Å²	33.2	3%	0.031	18%	0.181	C	C	.	.	H	α-helix	trans	-58.6	-46.7	172.3	-177.7	61.6	0	0	0	111.1	L272 S274 S275 L280 Y281 L282 Y377 F380	L272-L278 HydrophobicContact CD2-CB 3.81Å; L272-L278 HydrophobicContact CD2-CD1 3.93Å; L272-L278 HydrophobicContact CD2-CD2 4.25Å; L272-L278 HydrophobicContact CD2-CG 4.19Å; S274-L278 PolarHBondContact O-N 3.31Å; S274-L278 VanDerWaalsContact O-N 3.13Å; S275-L278 WeakPolarHBondContact O-CB 3.43Å; S275-L278 PolarHBondContact O-N 3.41Å; L278-L280 VanDerWaalsContact C-N 3.3Å; L278-L280 PolarHBondContact O-N 2.92Å; L278-Y281 WeakPolarHBondContact O-CB 3.31Å; L278-Y281 PolarHBondContact O-N 3.2Å; L278-Y281 VanDerWaalsContact O-N 3.16Å; L278-L282 HydrophobicContact CD1-CD1 3.98Å; L278-L282 HydrophobicContact CD1-CD2 4.49Å; L278-L282 HydrophobicContact CD1-CG 4.09Å; L278-L282 HydrophobicContact CD2-CD1 4.35Å; L278-L282 HydrophobicContact CG-CD1 3.69Å; L278-L282 HydrophobicContact CG-CG 4.25Å; L278-L282 WeakPolarHBondContact O-CB 3.46Å; L278-L282 WeakPolarHBondContact O-CG 3.24Å; L278-L282 PolarHBondContact O-N 3.3Å; L278-Y377 HydrophobicContact CD2-CG 4.48Å; L278-F380 HydrophobicContact CD1-CD1 4.4Å; L278-F380 HydrophobicContact CD1-CD2 4.38Å; L278-F380 HydrophobicContact CD1-CE1 4.38Å; L278-F380 HydrophobicContact CD1-CE2 4.4Å; L278-F380 HydrophobicContact CD1-CG 4.38Å; L278-F380 HydrophobicContact CD1-CZ 4.37Å; L278-F380 HydrophobicContact CD2-CD1 3.57Å; L278-F380 HydrophobicContact CD2-CE1 3.65Å; L278-F380 HydrophobicContact CD2-CG 4.23Å; L278-F380 HydrophobicContact CD2-CZ 4.4Å; L278-F380 HydrophobicContact CG-CD1 4.5Å
279	N	88.8	Confident	78.3	Confident	74 Å²	74	35.3 Å²	35.3	40%	0.396	19%	0.189	S	C	.	.	H	α-helix	trans	-61.1	-38.5	177.3	-71.3	-26	0	0	0	112.1	S275 W276 M277 N283	S275-N279 WeakPolarHBondContact O-CB 3.01Å; S275-N279 PolarHBondContact O-N 3.49Å; S275-N279 PolarHBondContact O-ND2 2.64Å; W276-N279 PolarHBondContact O-N 3Å; M277-N279 VanDerWaalsContact C-N 3.33Å; M277-N279 PolarHBondContact O-N 3.08Å; N279-N283 WeakPolarHBondContact O-CB 3.24Å; N279-N283 VanDerWaalsContact O-CG 3.31Å; N279-N283 PolarHBondContact O-N 3.19Å; N279-N283 VanDerWaalsContact O-N 3.13Å; N279-N283 PolarHBondContact O-ND2 2.88Å
280	L	92.1	Very high	80.8	Confident	30 Å²	30	36.6 Å²	36.6	16%	0.157	20%	0.196	C	C	.	.	H	α-helix	trans	-64.4	-44.7	174.4	-69.3	176.3	0	0	0	111.4	W276 M277 L278 N283 N284 M357 A360 V361	W276-L280 HydrophobicContact CE3-CD1 3.49Å; W276-L280 VanDerWaalsContact CE3-CD1 3.49Å; W276-L280 HydrophobicContact CE3-CG 4.31Å; W276-L280 HydrophobicContact CZ3-CD1 3.44Å; W276-L280 VanDerWaalsContact CZ3-CD1 3.44Å; W276-L280 WeakPolarHBondContact O-CG 3.44Å; W276-L280 PolarHBondContact O-N 3.35Å; M277-L280 PolarHBondContact O-N 3.17Å; L278-L280 VanDerWaalsContact C-N 3.3Å; L278-L280 PolarHBondContact O-N 2.92Å; L280-N283 PolarHBondContact O-N 3.28Å; L280-N284 VanDerWaalsContact O-CB 3.31Å; L280-N284 WeakPolarHBondContact O-CB 3.36Å; L280-N284 PolarHBondContact O-N 3.43Å; L280-N284 PolarHBondContact O-ND2 3.23Å; L280-M357 HydrophobicContact CB-CE 4.06Å; L280-M357 HydrophobicContact CB-SD 3.93Å; L280-A360 HydrophobicContact CB-CB 4.21Å; L280-A360 HydrophobicContact CD2-CB 4.17Å; L280-V361 HydrophobicContact CD1-CB 4.4Å; L280-V361 HydrophobicContact CD1-CG2 3.8Å
281	Y	91.3	Very high	83.1	Confident	17 Å²	17	36.7 Å²	36.7	7%	0.067	19%	0.192	C	C	.	.	H	α-helix	trans	-57	-53.7	176	-179.6	-82.8	0	0	0	110.4	M277 L278 N283 N284 V285 T290 I321 I323	M277-Y281 PolarHBondContact O-N 3.23Å; L278-Y281 WeakPolarHBondContact O-CB 3.31Å; L278-Y281 PolarHBondContact O-N 3.2Å; L278-Y281 VanDerWaalsContact O-N 3.16Å; Y281-N283 VanDerWaalsContact C-N 3.28Å; Y281-N283 PolarHBondContact O-N 3.01Å; Y281-N284 PolarHBondContact O-N 3.44Å; Y281-V285 HydrophobicContact CD2-CG2 3.69Å; Y281-V285 HydrophobicContact CE2-CG1 4.27Å; Y281-V285 HydrophobicContact CE2-CG2 3.98Å; Y281-V285 HydrophobicContact CG-CG2 3.97Å; Y281-V285 WeakPolarHBondContact O-CB 3.38Å; Y281-V285 WeakPolarHBondContact O-CG2 3.41Å; Y281-V285 PolarHBondContact O-N 2.96Å; Y281-V285 VanDerWaalsContact O-N 3.14Å; Y281-T290 HydrophobicContact CE1-CG2 4.12Å; Y281-I321 HydrophobicContact CD2-CD1 3.77Å; Y281-I321 HydrophobicContact CG-CD1 3.9Å; Y281-I323 HydrophobicContact CD2-CD1 4.36Å; Y281-I323 HydrophobicContact CE2-CD1 4.14Å
282	L	90.1	Very high	85.3	Confident	7 Å²	7	34.7 Å²	34.7	4%	0.037	18%	0.179	C	C	.	.	H	α-helix	trans	-63	-32	-174.3	-65.6	166.9	0	0	0	113.4	L278 T290 F380 T388	L278-L282 HydrophobicContact CD1-CD1 3.98Å; L278-L282 HydrophobicContact CD1-CD2 4.49Å; L278-L282 HydrophobicContact CD1-CG 4.09Å; L278-L282 HydrophobicContact CD2-CD1 4.35Å; L278-L282 HydrophobicContact CG-CD1 3.69Å; L278-L282 HydrophobicContact CG-CG 4.25Å; L278-L282 WeakPolarHBondContact O-CB 3.46Å; L278-L282 WeakPolarHBondContact O-CG 3.24Å; L278-L282 PolarHBondContact O-N 3.3Å; L282-T290 HydrophobicContact CD2-CG2 3.81Å; L282-F380 HydrophobicContact CD1-CB 3.9Å; L282-F380 HydrophobicContact CD2-CB 4.05Å; L282-T388 HydrophobicContact CB-CG2 4.48Å; L282-T388 HydrophobicContact CD2-CG2 3.67Å; L282-T388 PolarHBondContact O-OG1 2.83Å
283	N	91.3	Very high	86.7	Confident	117 Å²	117	36.1 Å²	36.1	63%	0.626	19%	0.187	S	C	*	.	H	α-helix	trans	-94.9	-19.8	-175.2	-68.7	-47.4	0	0	0	114.7	N279 L280 Y281	N279-N283 WeakPolarHBondContact O-CB 3.24Å; N279-N283 VanDerWaalsContact O-CG 3.31Å; N279-N283 PolarHBondContact O-N 3.19Å; N279-N283 VanDerWaalsContact O-N 3.13Å; N279-N283 PolarHBondContact O-ND2 2.88Å; L280-N283 PolarHBondContact O-N 3.28Å; Y281-N283 VanDerWaalsContact C-N 3.28Å; Y281-N283 PolarHBondContact O-N 3.01Å
284	N	93.8	Very high	87.5	Confident	80 Å²	80	33 Å²	33	43%	0.428	18%	0.177	S	C	.	.	H	α-helix	trans	-118.8	-17.9	-170.4	-62.5	-88.5	0	0	0	114.1	L280 Y281 A360	L280-N284 VanDerWaalsContact O-CB 3.31Å; L280-N284 WeakPolarHBondContact O-CB 3.36Å; L280-N284 PolarHBondContact O-N 3.43Å; L280-N284 PolarHBondContact O-ND2 3.23Å; Y281-N284 PolarHBondContact O-N 3.44Å; N284-A360 HydrophobicContact CB-CB 3.79Å
285	V	92.4	Very high	87.8	Confident	12 Å²	12	34.4 Å²	34.4	7%	0.073	18%	0.183	C	C	.	.			trans	-80	129.3	-174.6	171.7	0	0	0	0	110.8	Y281 N353 M357	Y281-V285 HydrophobicContact CD2-CG2 3.69Å; Y281-V285 HydrophobicContact CE2-CG1 4.27Å; Y281-V285 HydrophobicContact CE2-CG2 3.98Å; Y281-V285 HydrophobicContact CG-CG2 3.97Å; Y281-V285 WeakPolarHBondContact O-CB 3.38Å; Y281-V285 WeakPolarHBondContact O-CG2 3.41Å; Y281-V285 PolarHBondContact O-N 2.96Å; Y281-V285 VanDerWaalsContact O-N 3.14Å; V285-N353 HydrophobicContact CG1-CB 3.55Å; V285-N353 WeakPolarHBondContact CG1-OD1 3.36Å; V285-M357 HydrophobicContact CG2-CB 4.4Å
286	P	92.2	Very high	87.9	Confident	66 Å²	66	35.1 Å²	35.1	43%	0.429	19%	0.185	S	C	.	.	S	Bend	trans	-72.4	-31.8	-173.8	25.3	-33.8	0	0	0	114.8	P288 E352 N353	P286-P288 WeakPolarHBondContact O-CD 3.38Å; P286-E352 HydrophobicContact CG-CB 4.17Å; P286-N353 WeakPolarHBondContact CD-OD1 3.45Å
287	Y	89.9	Confident	87.5	Confident	69 Å²	69	35.8 Å²	35.8	27%	0.271	19%	0.19	S	C	.	.	S	Bend	trans	-124.8	74.7	177.9	-44.6	-84.1	0	0	0	110.2	P62 H289 R349 E352 N353	P62-Y287 HydrophobicContact CB-CE1 4.05Å; P62-Y287 HydrophobicContact CB-CE2 4.41Å; P62-Y287 HydrophobicContact CG-CE1 4.39Å; P62-Y287 HydrophobicContact CG-CE2 4.28Å; Y287-H289 PolarHBondContact O-N 3.34Å; Y287-R349 HydrophobicContact CD2-CB 4.48Å; Y287-R349 HydrophobicContact CD2-CG 4.21Å; Y287-R349 HydrophobicContact CG-CG 4.28Å; Y287-E352 HydrophobicContact CE2-CB 4.09Å; Y287-E352 WeakPolarHBondContact CE2-OE2 3.5Å; Y287-E352 PolarHBondContact OH-OE2 3.02Å; Y287-N353 WeakPolarHBondContact CD2-OD1 3.49Å; Y287-N353 PolarHBondContact N-OD1 3.42Å; Y287-N353 PolarHBondContact O-ND2 2.86Å
288	P	87.8	Confident	86.7	Confident	7 Å²	7	37.3 Å²	37.3	5%	0.045	20%	0.197	C	C	.	.			trans	-64.6	134.7	-179.7	28.7	-35	0	0	0	110.7	P286 G385 T388	P286-P288 WeakPolarHBondContact O-CD 3.38Å; P288-G385 WeakPolarHBondContact O-CA 3.33Å; P288-T388 HydrophobicContact CB-CG2 3.16Å; P288-T388 HydrophobicContact CG-CG2 3.6Å
289	H	85.2	Confident	86	Confident	57 Å²	57	39.8 Å²	39.8	26%	0.264	21%	0.209	S	C	.	.			trans	-141.1	96.7	170.9	-175.9	-66.7	0	0	0	107.8	Y287 D382 E598	Y287-H289 PolarHBondContact O-N 3.34Å; H289-D382 WeakPolarHBondContact CA-OD2 3.23Å; H289-E598 IonicContact CE1-OE1 3.02Å; H289-E598 IonicContact NE2-OE1 2.72Å
290	T	86.5	Confident	85.3	Confident	27 Å²	27	40.1 Å²	40.1	17%	0.166	22%	0.216	C	C	.	.			trans	-159.9	142.4	-169.3	-171.5	0	0	0	0	111.3	Y281 L282 F380 F381 D382 T388	Y281-T290 HydrophobicContact CE1-CG2 4.12Å; L282-T290 HydrophobicContact CD2-CG2 3.81Å; T290-F380 HydrophobicContact CG2-CD2 4.08Å; T290-F380 WeakPolarHBondContact OG1-CD2 3.38Å; T290-F380 WeakPolarHBondContact OG1-CE2 3.26Å; T290-F381 CarbonylContact O-C 3.56Å; T290-F381 VanDerWaalsContact O-CA 3.24Å; T290-F381 WeakPolarHBondContact O-CA 3.49Å; T290-D382 PolarHBondContact N-OD2 2.78Å; T290-D382 PolarHBondContact O-N 3.27Å; T290-T388 HydrophobicContact CG2-CG2 4.48Å
291	T	86.2	Confident	84.1	Confident	25 Å²	25	41.4 Å²	41.4	15%	0.153	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-146.5	136.5	175	173	0	0	0	0	110.4	I293 G294 H295 Y543	T291-I293 PolarHBondContact O-N 2.94Å; T291-I293 PolarHBondContact OG1-N 2.82Å; T291-G294 PolarHBondContact O-N 3.32Å; T291-H295 PolarHBondContact O-N 3.46Å; T291-Y543 PolarHBondContact OG1-OH 3.39Å
292	V	88.2	Confident	82.9	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-23.2	174.8	73.1	0	0	0	0	112.3	H295 E296 F380 R540 Y543	V292-H295 PolarHBondContact O-N 3.27Å; V292-E296 HydrophobicContact CG2-CG 4.31Å; V292-E296 WeakPolarHBondContact O-CB 3.16Å; V292-E296 WeakPolarHBondContact O-CG 3.3Å; V292-E296 PolarHBondContact O-N 3.39Å; V292-F380 HydrophobicContact CB-CD1 4.26Å; V292-F380 HydrophobicContact CB-CE1 4.11Å; V292-F380 HydrophobicContact CB-CE2 4.41Å; V292-F380 HydrophobicContact CB-CZ 4.2Å; V292-F380 WeakPolarHBondContact CB-O 3.28Å; V292-F380 HydrophobicContact CG2-CD1 4.36Å; V292-F380 HydrophobicContact CG2-CE1 3.95Å; V292-F380 HydrophobicContact CG2-CZ 4.29Å; V292-F380 PolarHBondContact N-O 3.12Å; V292-R540 HydrophobicContact CB-CB 4.41Å; V292-R540 HydrophobicContact CG1-CB 4.14Å; V292-R540 HydrophobicContact CG2-CB 3.46Å; V292-R540 VanDerWaalsContact CG2-CB 3.46Å; V292-R540 HydrophobicContact CG2-CG 4.24Å; V292-Y543 HydrophobicContact CG1-CD1 3.77Å; V292-Y543 HydrophobicContact CG1-CE1 3.52Å
293	I	84.4	Confident	81.9	Confident	46 Å²	46	43.8 Å²	43.8	24%	0.236	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-46	175.2	-62.8	172.8	0	0	0	110.5	T291 H295 E296 L297 Y543 Y544	T291-I293 PolarHBondContact O-N 2.94Å; T291-I293 PolarHBondContact OG1-N 2.82Å; I293-H295 VanDerWaalsContact C-N 3.33Å; I293-E296 PolarHBondContact O-N 3.03Å; I293-L297 VanDerWaalsContact O-CB 3.32Å; I293-L297 WeakPolarHBondContact O-CB 3.49Å; I293-L297 PolarHBondContact O-N 2.88Å; I293-Y543 HydrophobicContact CD1-CE1 4.21Å; I293-Y543 HydrophobicContact CG1-CE1 4.07Å; I293-Y544 HydrophobicContact CD1-CD2 4.35Å
294	G	79.1	Confident	80.6	Confident	14 Å²	14	41.2 Å²	41.2	14%	0.144	25%	0.25	C	C	.	.	H	α-helix	trans	-62.4	-44	176.5	0	0	0	0	0	111	T291 L297 F298	T291-G294 PolarHBondContact O-N 3.32Å; G294-L297 PolarHBondContact O-N 2.89Å; G294-F298 WeakPolarHBondContact O-CD2 3.41Å; G294-F298 PolarHBondContact O-N 3.19Å
295	H	80.8	Confident	79.6	Confident	30 Å²	30	38.7 Å²	38.7	14%	0.139	24%	0.24	C	C	.	.	H	α-helix	trans	-60.1	-49	176.6	-171.9	-161.1	0	0	0	112.2	L272 T291 V292 I293 L297 F298 Q299 Y377 F380	L272-H295 PolarHBondContact N-NE2 2.88Å; L272-H295 VanDerWaalsContact N-NE2 3.15Å; T291-H295 PolarHBondContact O-N 3.46Å; V292-H295 PolarHBondContact O-N 3.27Å; I293-H295 VanDerWaalsContact C-N 3.33Å; H295-L297 VanDerWaalsContact C-N 3.32Å; H295-L297 PolarHBondContact O-N 3.18Å; H295-F298 PolarHBondContact O-N 3.26Å; H295-Q299 PolarHBondContact CD2-NE2 3.3Å; H295-Q299 PolarHBondContact CE1-NE2 3.44Å; H295-Q299 PolarHBondContact NE2-NE2 2.92Å; H295-Q299 VanDerWaalsContact O-CB 3.29Å; H295-Q299 WeakPolarHBondContact O-CB 3.41Å; H295-Q299 WeakPolarHBondContact O-CG 3.35Å; H295-Q299 PolarHBondContact O-N 3.29Å; H295-Y377 AromaticContact CE1-CE2 3.75Å; H295-F380 HydrophobicContact CB-CZ 4.02Å; H295-F380 AromaticContact ND1-CE1 3.92Å; H295-F380 AromaticContact ND1-CZ 3.6Å
296	E	82.4	Confident	78.9	Confident	29 Å²	29	40.4 Å²	40.4	14%	0.136	25%	0.247	C	C	.	.	H	α-helix	trans	-62.7	-37.7	177	-74.1	-176.5	153.7	0	0	112	V292 I293 Q299 S300 R540 S541	V292-E296 HydrophobicContact CG2-CG 4.31Å; V292-E296 WeakPolarHBondContact O-CB 3.16Å; V292-E296 WeakPolarHBondContact O-CG 3.3Å; V292-E296 PolarHBondContact O-N 3.39Å; I293-E296 PolarHBondContact O-N 3.03Å; E296-Q299 PolarHBondContact O-N 2.84Å; E296-S300 VanDerWaalsContact O-CB 3.32Å; E296-S300 WeakPolarHBondContact O-CB 3.4Å; E296-S300 PolarHBondContact O-N 2.86Å; E296-R540 WeakPolarHBondContact OE1-CA 3.17Å; E296-R540 VanDerWaalsContact OE1-CB 3.32Å; E296-R540 WeakPolarHBondContact OE1-CB 3.27Å; E296-R540 PolarHBondContact OE1-N 3.24Å; E296-S541 WeakPolarHBondContact OE2-CB 3.1Å; E296-S541 PolarHBondContact OE2-N 3.36Å; E296-S541 VanDerWaalsContact OE2-N 3.11Å; E296-S541 PolarHBondContact OE2-OG 3.15Å
297	L	77.6	Confident	78.7	Confident	38 Å²	38	37.3 Å²	37.3	20%	0.199	23%	0.227	C	C	.	.	H	α-helix	trans	-65	-45.7	179	-176	63	0	0	0	111.9	I293 G294 H295 S300 A302 L303 L599 L602	I293-L297 VanDerWaalsContact O-CB 3.32Å; I293-L297 WeakPolarHBondContact O-CB 3.49Å; I293-L297 PolarHBondContact O-N 2.88Å; G294-L297 PolarHBondContact O-N 2.89Å; H295-L297 VanDerWaalsContact C-N 3.32Å; H295-L297 PolarHBondContact O-N 3.18Å; L297-S300 PolarHBondContact O-N 3.21Å; L297-S300 PolarHBondContact O-OG 2.92Å; L297-A302 HydrophobicContact CD1-CB 3.96Å; L297-L303 HydrophobicContact CD2-CD1 3.61Å; L297-L303 HydrophobicContact CD2-CG 4.15Å; L297-L303 HydrophobicContact CG-CD1 3.79Å; L297-L303 HydrophobicContact CG-CG 3.97Å; L297-L599 HydrophobicContact CD2-CD1 3.73Å; L297-L602 HydrophobicContact CD2-CD2 4.32Å
298	F	72.4	Confident	78.9	Confident	33 Å²	33	34 Å²	34	15%	0.145	21%	0.214	C	C	.	.	H	α-helix	trans	-68.5	-41.6	174.4	-77.4	-68.6	0	0	0	112.3	A268 G294 H295 S300 G301 L303 A305 L602	A268-F298 HydrophobicContact CB-CB 3.41Å; A268-F298 VanDerWaalsContact CB-CB 3.41Å; A268-F298 HydrophobicContact CB-CD1 3.26Å; A268-F298 HydrophobicContact CB-CD2 3.91Å; A268-F298 HydrophobicContact CB-CE1 3.86Å; A268-F298 HydrophobicContact CB-CE2 4.44Å; A268-F298 HydrophobicContact CB-CG 3.27Å; A268-F298 HydrophobicContact CB-CZ 4.4Å; G294-F298 WeakPolarHBondContact O-CD2 3.41Å; G294-F298 PolarHBondContact O-N 3.19Å; H295-F298 PolarHBondContact O-N 3.26Å; F298-S300 PolarHBondContact O-N 3.31Å; F298-G301 PolarHBondContact O-N 3.39Å; F298-G301 VanDerWaalsContact O-N 3.15Å; F298-L303 HydrophobicContact CD1-CB 3.86Å; F298-L303 HydrophobicContact CD1-CD1 3.96Å; F298-L303 HydrophobicContact CE1-CB 3.99Å; F298-L303 HydrophobicContact CE1-CD1 3.72Å; F298-L303 HydrophobicContact CE2-CD1 4.44Å; F298-L303 HydrophobicContact CG-CD1 4.45Å; F298-L303 HydrophobicContact CZ-CD1 3.99Å; F298-A305 HydrophobicContact CD1-CB 4.33Å; F298-A305 HydrophobicContact CE1-CB 4.16Å; F298-L602 HydrophobicContact CE2-CD1 4.26Å; F298-L602 HydrophobicContact CE2-CD2 3.95Å; F298-L602 HydrophobicContact CZ-CD1 3.84Å; F298-L602 HydrophobicContact CZ-CD2 4.17Å
299	Q	74	Confident	79.1	Confident	58 Å²	58	33.9 Å²	33.9	27%	0.271	21%	0.213	S	C	.	.	H	α-helix	trans	-60.9	-32.9	176	-78.3	-174.3	-9.2	0	0	113.1	P271 H295 E296 G301	P271-Q299 VanDerWaalsContact CA-NE2 3.33Å; P271-Q299 HydrophobicContact CB-CG 4Å; P271-Q299 VanDerWaalsContact CB-NE2 3.27Å; H295-Q299 PolarHBondContact CD2-NE2 3.3Å; H295-Q299 PolarHBondContact CE1-NE2 3.44Å; H295-Q299 PolarHBondContact NE2-NE2 2.92Å; H295-Q299 VanDerWaalsContact O-CB 3.29Å; H295-Q299 WeakPolarHBondContact O-CB 3.41Å; H295-Q299 WeakPolarHBondContact O-CG 3.35Å; H295-Q299 PolarHBondContact O-N 3.29Å; E296-Q299 PolarHBondContact O-N 2.84Å; Q299-G301 PolarHBondContact O-N 2.83Å
300	S	73.1	Confident	79.2	Confident	80 Å²	80	32.7 Å²	32.7	56%	0.559	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-13.4	179.8	74.6	0	0	0	0	113.5	E296 L297 F298 A302	E296-S300 VanDerWaalsContact O-CB 3.32Å; E296-S300 WeakPolarHBondContact O-CB 3.4Å; E296-S300 PolarHBondContact O-N 2.86Å; L297-S300 PolarHBondContact O-N 3.21Å; L297-S300 PolarHBondContact O-OG 2.92Å; F298-S300 PolarHBondContact O-N 3.31Å; S300-A302 PolarHBondContact O-N 3.21Å; S300-A302 WeakPolarHBondContact OG-CB 3.4Å; S300-A302 PolarHBondContact OG-N 2.81Å
301	G	68.2	Low	79.5	Confident	57 Å²	57	31.4 Å²	31.4	59%	0.588	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.7	6.7	-171.8	0	0	0	0	0	113.7	F298 Q299 L303	F298-G301 PolarHBondContact O-N 3.39Å; F298-G301 VanDerWaalsContact O-N 3.15Å; Q299-G301 PolarHBondContact O-N 2.83Å; G301-L303 PolarHBondContact O-N 2.86Å
302	A	66.4	Low	79.8	Confident	65 Å²	65	30.2 Å²	30.2	54%	0.537	19%	0.191	S	C	.	.	S	Bend	trans	-65.6	-27.6	176.4	0	0	0	0	0	112.5	L297 S300	L297-A302 HydrophobicContact CD1-CB 3.96Å; S300-A302 PolarHBondContact O-N 3.21Å; S300-A302 WeakPolarHBondContact OG-CB 3.4Å; S300-A302 PolarHBondContact OG-N 2.81Å
303	L	67.3	Low	79.9	Confident	9 Å²	9	31.4 Å²	31.4	5%	0.047	20%	0.195	C	C	.	.	S	Bend	trans	-106.5	122	170	-60.5	179.2	0	0	0	108.7	L297 F298 G301 A305 L602 I606	L297-L303 HydrophobicContact CD2-CD1 3.61Å; L297-L303 HydrophobicContact CD2-CG 4.15Å; L297-L303 HydrophobicContact CG-CD1 3.79Å; L297-L303 HydrophobicContact CG-CG 3.97Å; F298-L303 HydrophobicContact CD1-CB 3.86Å; F298-L303 HydrophobicContact CD1-CD1 3.96Å; F298-L303 HydrophobicContact CE1-CB 3.99Å; F298-L303 HydrophobicContact CE1-CD1 3.72Å; F298-L303 HydrophobicContact CE2-CD1 4.44Å; F298-L303 HydrophobicContact CG-CD1 4.45Å; F298-L303 HydrophobicContact CZ-CD1 3.99Å; G301-L303 PolarHBondContact O-N 2.86Å; L303-A305 PolarHBondContact O-N 3.49Å; L303-L602 HydrophobicContact CD1-CD2 3.92Å; L303-L602 HydrophobicContact CD1-CG 4.28Å; L303-I606 HydrophobicContact CD1-CD1 4.08Å; L303-I606 HydrophobicContact CD2-CD1 4.28Å; L303-I606 HydrophobicContact CD2-CG2 3.96Å
304	P	65.7	Low	80.1	Confident	64 Å²	64	32.1 Å²	32.1	42%	0.416	20%	0.2	S	C	.	.			trans	-80.1	88.8	-177.9	32.2	-33.7	0	0	0	110.4	F158	F158-P304 HydrophobicContact CE2-CB 4.25Å; F158-P304 HydrophobicContact CZ-CB 4.38Å
305	A	71.3	Confident	80.7	Confident	27 Å²	27	35.6 Å²	35.6	22%	0.223	21%	0.209	C	C	.	.			trans	-134.9	141.8	173.9	0	0	0	0	0	109.8	A268 F298 L303	A268-A305 HydrophobicContact CB-CB 4.48Å; A268-A305 CarbonylContact O-C 3.57Å; F298-A305 HydrophobicContact CD1-CB 4.33Å; F298-A305 HydrophobicContact CE1-CB 4.16Å; L303-A305 PolarHBondContact O-N 3.49Å
306	E	78.3	Confident	81.2	Confident	47 Å²	47	35.2 Å²	35.2	22%	0.22	21%	0.214	C	C	.	.			trans	-139.9	148.2	170.8	-70.7	-70.4	-175.4	0	0	106.7	F158 L241 R310	F158-E306 HydrophobicContact CB-CG 4.05Å; F158-E306 HydrophobicContact CD1-CB 4.29Å; F158-E306 HydrophobicContact CD1-CG 3.72Å; F158-E306 HydrophobicContact CD2-CG 3.47Å; F158-E306 VanDerWaalsContact CD2-CG 3.47Å; F158-E306 HydrophobicContact CE1-CB 4.31Å; F158-E306 HydrophobicContact CE1-CG 3.99Å; F158-E306 HydrophobicContact CE2-CG 3.76Å; F158-E306 HydrophobicContact CG-CG 3.48Å; F158-E306 VanDerWaalsContact CG-CG 3.48Å; F158-E306 HydrophobicContact CZ-CG 4.02Å; L241-E306 HydrophobicContact CD1-CB 4.46Å; E306-R310 VanDerWaalsContact CD-NH1 3.32Å; E306-R310 IonicContact OE1-CZ 2.91Å; E306-R310 IonicContact OE1-NH1 3.98Å; E306-R310 PolarHBondContact OE1-NH1 2.99Å; E306-R310 WeakPolarHBondContact OE2-CD 3.4Å; E306-R310 IonicContact OE2-NH1 2.67Å
307	T	88.1	Confident	81.6	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.006	25%	0.245	C	C	.	.			trans	-142.3	169.5	-178.2	71.1	0	0	0	0	109.3	L241 E264 G269 F309 R310 D322	L241-T307 WeakPolarHBondContact CD1-O 3.5Å; E264-T307 HydrophobicContact CG-CG2 3.71Å; G269-T307 WeakPolarHBondContact CA-OG1 3.43Å; G269-T307 PolarHBondContact N-OG1 3.09Å; T307-F309 PolarHBondContact O-N 3.21Å; T307-F309 WeakPolarHBondContact OG1-CB 3.44Å; T307-F309 PolarHBondContact OG1-N 3.03Å; T307-R310 WeakPolarHBondContact O-CB 3.35Å; T307-R310 PolarHBondContact O-N 3.38Å; T307-D322 PolarHBondContact OG1-OD2 3.26Å
308	D	93	Very high	82.2	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-53.5	-25.3	175	-80.5	-23.3	0	0	0	113.9	N189 N234 A244 N262 R310 I311 F312	N189-D308 VanDerWaalsContact ND2-CB 3.29Å; N189-D308 WeakPolarHBondContact ND2-CB 3.41Å; N189-D308 PolarHBondContact ND2-OD2 3.33Å; N234-D308 PolarHBondContact ND2-OD1 3.18Å; N234-D308 PolarHBondContact ND2-OD2 2.96Å; A244-D308 HydrophobicContact CB-CB 3.94Å; A244-D308 VanDerWaalsContact CB-CG 3.42Å; A244-D308 WeakPolarHBondContact CB-OD1 3.21Å; N262-D308 WeakPolarHBondContact OD1-CB 3.15Å; D308-R310 PolarHBondContact O-N 3.03Å; D308-I311 WeakPolarHBondContact O-CB 3.48Å; D308-I311 PolarHBondContact O-N 3.47Å; D308-F312 HydrophobicContact CB-CE2 3.91Å; D308-F312 VanDerWaalsContact O-CD2 3.25Å; D308-F312 WeakPolarHBondContact O-CD2 3.36Å; D308-F312 PolarHBondContact O-N 3.44Å
309	F	91.9	Very high	83.1	Confident	4 Å²	4	42 Å²	42	2%	0.018	24%	0.237	C	C	.	.	H	α-helix	trans	-52.3	-40	174.2	169.6	-76.6	0	0	0	111.8	F260 N262 G269 L272 T307 I311 F312 R313 D322	F260-F309 HydrophobicContact CE2-CB 3.99Å; F260-F309 AromaticContact CE2-CD2 3.31Å; F260-F309 HydrophobicContact CE2-CD2 3.31Å; F260-F309 AromaticContact CE2-CE2 3.96Å; F260-F309 HydrophobicContact CE2-CE2 3.96Å; F260-F309 AromaticContact CE2-CG 3.85Å; F260-F309 HydrophobicContact CE2-CG 3.85Å; F260-F309 HydrophobicContact CZ-CB 4.35Å; F260-F309 AromaticContact CZ-CD2 3.38Å; F260-F309 HydrophobicContact CZ-CD2 3.38Å; F260-F309 AromaticContact CZ-CE2 3.65Å; F260-F309 HydrophobicContact CZ-CE2 3.65Å; F260-F309 AromaticContact CZ-CG 3.85Å; F260-F309 HydrophobicContact CZ-CG 3.85Å; F260-F309 HydrophobicContact CZ-CZ 4.33Å; N262-F309 HydrophobicContact CB-CB 3.97Å; G269-F309 VanDerWaalsContact O-CD1 3.3Å; G269-F309 WeakPolarHBondContact O-CD1 3.45Å; L272-F309 HydrophobicContact CD1-CE2 4.18Å; L272-F309 HydrophobicContact CD1-CZ 4.33Å; T307-F309 PolarHBondContact O-N 3.21Å; T307-F309 WeakPolarHBondContact OG1-CB 3.44Å; T307-F309 PolarHBondContact OG1-N 3.03Å; F309-I311 VanDerWaalsContact C-N 3.26Å; F309-I311 PolarHBondContact O-N 2.85Å; F309-F312 PolarHBondContact O-N 2.98Å; F309-R313 HydrophobicContact CE1-CB 4.28Å; F309-R313 WeakPolarHBondContact O-CB 3.01Å; F309-R313 PolarHBondContact O-N 2.96Å; F309-D322 HydrophobicContact CB-CB 4.11Å; F309-D322 HydrophobicContact CD2-CB 3.65Å; F309-D322 HydrophobicContact CE2-CB 4.32Å; F309-D322 HydrophobicContact CG-CB 3.96Å
310	R	87.8	Confident	83.9	Confident	32 Å²	32	39.4 Å²	39.4	12%	0.121	23%	0.226	C	C	.	.	H	α-helix	trans	-58.7	-41.7	177.4	171.1	165	-177.9	-179.9	-1.9	111.2	E306 T307 D308 R313 D314	E306-R310 VanDerWaalsContact CD-NH1 3.32Å; E306-R310 IonicContact OE1-CZ 2.91Å; E306-R310 IonicContact OE1-NH1 3.98Å; E306-R310 PolarHBondContact OE1-NH1 2.99Å; E306-R310 WeakPolarHBondContact OE2-CD 3.4Å; E306-R310 IonicContact OE2-NH1 2.67Å; T307-R310 WeakPolarHBondContact O-CB 3.35Å; T307-R310 PolarHBondContact O-N 3.38Å; D308-R310 PolarHBondContact O-N 3.03Å; R310-R313 PolarHBondContact O-N 3.35Å; R310-D314 VanDerWaalsContact CG-OD2 3.26Å; R310-D314 WeakPolarHBondContact CG-OD2 3.2Å; R310-D314 IonicContact CZ-OD2 3.53Å; R310-D314 IonicContact NE-OD2 3.37Å; R310-D314 PolarHBondContact NE-OD2 3.48Å; R310-D314 VanDerWaalsContact O-CB 3.29Å; R310-D314 WeakPolarHBondContact O-CB 3.25Å; R310-D314 PolarHBondContact O-N 3.14Å
311	I	92.7	Very high	84.7	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.7	-45.8	-176.4	-62.3	-58.7	0	0	0	110.9	F154 L241 A244 H245 I248 D308 F309 R313 Y315 G316	F154-I311 HydrophobicContact CD2-CD1 4.27Å; F154-I311 HydrophobicContact CE2-CD1 3.72Å; F154-I311 HydrophobicContact CZ-CD1 4.35Å; L241-I311 HydrophobicContact CB-CD1 4.05Å; L241-I311 HydrophobicContact CB-CG1 3.64Å; L241-I311 HydrophobicContact CD1-CD1 4.06Å; L241-I311 HydrophobicContact CD1-CG1 3.81Å; L241-I311 HydrophobicContact CG-CG1 4.35Å; A244-I311 HydrophobicContact CB-CB 4.21Å; A244-I311 HydrophobicContact CB-CG1 4.49Å; A244-I311 HydrophobicContact CB-CG2 4.13Å; H245-I311 VanDerWaalsContact CA-CG2 3.41Å; H245-I311 HydrophobicContact CB-CD1 4.47Å; H245-I311 HydrophobicContact CB-CG2 3.88Å; I248-I311 HydrophobicContact CG2-CG2 3.8Å; D308-I311 WeakPolarHBondContact O-CB 3.48Å; D308-I311 PolarHBondContact O-N 3.47Å; F309-I311 VanDerWaalsContact C-N 3.26Å; F309-I311 PolarHBondContact O-N 2.85Å; I311-R313 VanDerWaalsContact C-N 3.31Å; I311-R313 PolarHBondContact O-N 2.62Å; I311-Y315 HydrophobicContact CD1-CD2 4Å; I311-Y315 HydrophobicContact CD1-CE2 3.86Å; I311-Y315 HydrophobicContact CG2-CD2 4.16Å; I311-Y315 WeakPolarHBondContact O-CA 3.49Å; I311-Y315 WeakPolarHBondContact O-CB 3.24Å; I311-Y315 PolarHBondContact O-N 2.85Å; I311-G316 PolarHBondContact O-N 3.34Å
312	F	94	Very high	85.7	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.9	-34.5	176.7	-57.5	-53.3	0	0	0	112.5	L187 N189 L232 A244 F247 I248 F260 D308 F309 G316 R317 L318	L187-F312 HydrophobicContact CD2-CD1 3.79Å; L187-F312 HydrophobicContact CD2-CD2 4.33Å; L187-F312 HydrophobicContact CD2-CE1 3.64Å; L187-F312 HydrophobicContact CD2-CE2 4.17Å; L187-F312 HydrophobicContact CD2-CG 4.16Å; L187-F312 HydrophobicContact CD2-CZ 3.84Å; N189-F312 HydrophobicContact CB-CE2 3.64Å; N189-F312 HydrophobicContact CB-CZ 4.07Å; L232-F312 HydrophobicContact CD2-CE1 4.11Å; L232-F312 HydrophobicContact CD2-CZ 3.71Å; A244-F312 HydrophobicContact CB-CE1 4.12Å; A244-F312 HydrophobicContact CB-CE2 4.33Å; A244-F312 HydrophobicContact CB-CZ 3.71Å; F247-F312 HydrophobicContact CD1-CE1 4.11Å; I248-F312 HydrophobicContact CB-CD1 3.98Å; I248-F312 HydrophobicContact CB-CE1 4.22Å; I248-F312 HydrophobicContact CD1-CD1 4.16Å; I248-F312 HydrophobicContact CG1-CD1 4.08Å; F260-F312 HydrophobicContact CD1-CB 3.66Å; F260-F312 HydrophobicContact CD1-CG 4.47Å; F260-F312 HydrophobicContact CD2-CB 4.04Å; F260-F312 AromaticContact CD2-CD2 3.76Å; F260-F312 HydrophobicContact CD2-CD2 3.76Å; F260-F312 HydrophobicContact CD2-CG 4.22Å; F260-F312 HydrophobicContact CE1-CB 3.46Å; F260-F312 VanDerWaalsContact CE1-CB 3.46Å; F260-F312 HydrophobicContact CE2-CB 3.88Å; F260-F312 AromaticContact CE2-CD2 3.88Å; F260-F312 HydrophobicContact CE2-CD2 3.88Å; F260-F312 HydrophobicContact CE2-CG 4.34Å; F260-F312 HydrophobicContact CG-CB 3.93Å; F260-F312 HydrophobicContact CG-CD2 4.25Å; F260-F312 HydrophobicContact CG-CG 4.29Å; F260-F312 HydrophobicContact CZ-CB 3.59Å; F260-F312 HydrophobicContact CZ-CD2 4.44Å; D308-F312 HydrophobicContact CB-CE2 3.91Å; D308-F312 VanDerWaalsContact O-CD2 3.25Å; D308-F312 WeakPolarHBondContact O-CD2 3.36Å; D308-F312 PolarHBondContact O-N 3.44Å; F309-F312 PolarHBondContact O-N 2.98Å; F312-G316 CarbonylContact O-C 3.6Å; F312-G316 VanDerWaalsContact O-C 3.29Å; F312-G316 WeakPolarHBondContact O-CA 3.32Å; F312-G316 PolarHBondContact O-N 3.01Å; F312-G316 VanDerWaalsContact O-N 3.13Å; F312-R317 PolarHBondContact O-N 3.28Å; F312-L318 PolarHBondContact O-N 3.49Å
313	R	89.9	Confident	86.8	Confident	25 Å²	25	33.6 Å²	33.6	9%	0.094	17%	0.166	C	C	.	.	H	α-helix	trans	-68.6	-54.6	173.6	-174.7	-166.8	69.6	-139.9	-10.3	112.2	G269 P271 F309 R310 I311 R317	G269-R313 PolarHBondContact O-NH1 3.16Å; P271-R313 VanDerWaalsContact CD-NH1 3.3Å; F309-R313 HydrophobicContact CE1-CB 4.28Å; F309-R313 WeakPolarHBondContact O-CB 3.01Å; F309-R313 PolarHBondContact O-N 2.96Å; R310-R313 PolarHBondContact O-N 3.35Å; I311-R313 VanDerWaalsContact C-N 3.31Å; I311-R313 PolarHBondContact O-N 2.62Å; R313-R317 WeakPolarHBondContact O-CA 3.32Å; R313-R317 PolarHBondContact O-N 3.33Å; R313-R317 VanDerWaalsContact O-N 3.08Å
314	D	88.3	Confident	87.7	Confident	62 Å²	62	34.7 Å²	34.7	33%	0.332	18%	0.176	S	C	.	.	H	α-helix	trans	-78.6	-42.3	-168.9	-68.4	-7.1	0	0	0	111.9	R310	R310-D314 VanDerWaalsContact CG-OD2 3.26Å; R310-D314 WeakPolarHBondContact CG-OD2 3.2Å; R310-D314 IonicContact CZ-OD2 3.53Å; R310-D314 IonicContact NE-OD2 3.37Å; R310-D314 PolarHBondContact NE-OD2 3.48Å; R310-D314 VanDerWaalsContact O-CB 3.29Å; R310-D314 WeakPolarHBondContact O-CB 3.25Å; R310-D314 PolarHBondContact O-N 3.14Å
315	Y	91.4	Very high	88.5	Confident	86 Å²	86	33.4 Å²	33.4	34%	0.337	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-37	-178.1	-63.6	-92	0	0	0	112.4	F154 A155 H245 T249 I311	F154-Y315 HydrophobicContact CB-CE1 4.23Å; F154-Y315 HydrophobicContact CD2-CE2 4.27Å; A155-Y315 PolarHBondContact O-OH 3.38Å; H245-Y315 AromaticContact CD2-CD1 3.67Å; H245-Y315 AromaticContact CD2-CD2 3.95Å; H245-Y315 AromaticContact CD2-CE1 3.75Å; H245-Y315 AromaticContact CD2-CG 3.78Å; H245-Y315 AromaticContact CD2-CZ 3.95Å; H245-Y315 AromaticContact NE2-CD1 3.55Å; H245-Y315 AromaticContact NE2-CE1 3.52Å; T249-Y315 HydrophobicContact CG2-CD1 4.32Å; I311-Y315 HydrophobicContact CD1-CD2 4Å; I311-Y315 HydrophobicContact CD1-CE2 3.86Å; I311-Y315 HydrophobicContact CG2-CD2 4.16Å; I311-Y315 WeakPolarHBondContact O-CA 3.49Å; I311-Y315 WeakPolarHBondContact O-CB 3.24Å; I311-Y315 PolarHBondContact O-N 2.85Å
316	G	91.5	Very high	88.8	Confident	23 Å²	23	34.3 Å²	34.3	24%	0.237	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-26.9	176.1	0	0	0	0	0	114.2	I248 I311 F312 L318	I248-G316 VanDerWaalsContact CG1-CA 3.4Å; I311-G316 PolarHBondContact O-N 3.34Å; F312-G316 CarbonylContact O-C 3.6Å; F312-G316 VanDerWaalsContact O-C 3.29Å; F312-G316 WeakPolarHBondContact O-CA 3.32Å; F312-G316 PolarHBondContact O-N 3.01Å; F312-G316 VanDerWaalsContact O-N 3.13Å; G316-L318 PolarHBondContact O-N 2.85Å
317	R	90.7	Very high	89	Confident	211 Å²	211	35.5 Å²	35.5	80%	0.796	17%	0.171	S	C	*	.			trans	52.7	38.9	-171.2	-54.9	-178.7	-174.6	177.9	1.2	112	F312 R313	F312-R317 PolarHBondContact O-N 3.28Å; R313-R317 WeakPolarHBondContact O-CA 3.32Å; R313-R317 PolarHBondContact O-N 3.33Å; R313-R317 VanDerWaalsContact O-N 3.08Å
318	L	90.3	Very high	88.8	Confident	16 Å²	16	38.1 Å²	38.1	8%	0.084	19%	0.185	C	C	.	.			trans	-98.8	140	-178.9	-64.4	173.7	0	0	0	109.8	I248 I257 F260 F312 G316 G320 E373	I248-L318 HydrophobicContact CD1-CD1 3.73Å; I257-L318 HydrophobicContact CB-CD1 4.1Å; I257-L318 HydrophobicContact CG2-CD1 3.47Å; I257-L318 VanDerWaalsContact CG2-CD1 3.47Å; I257-L318 HydrophobicContact CG2-CD2 4.27Å; I257-L318 HydrophobicContact CG2-CG 4.49Å; I257-L318 WeakPolarHBondContact O-CD2 3.48Å; F260-L318 HydrophobicContact CD1-CB 3.65Å; F260-L318 HydrophobicContact CD1-CD1 4.41Å; F260-L318 HydrophobicContact CE1-CB 4.02Å; F260-L318 VanDerWaalsContact CE1-O 3.29Å; F260-L318 WeakPolarHBondContact CE1-O 3.06Å; F312-L318 PolarHBondContact O-N 3.49Å; G316-L318 PolarHBondContact O-N 2.85Å; L318-G320 PolarHBondContact O-N 3.38Å; L318-E373 VanDerWaalsContact C-OE1 3.3Å
319	P	90.8	Very high	88.5	Confident	15 Å²	15	38.7 Å²	38.7	10%	0.097	19%	0.191	C	C	.	.			trans	-67.3	132.9	163.9	27.9	-32.2	0	0	0	109.1	R258 S259 F260 S274 W276 M277 E373	R258-P319 WeakPolarHBondContact O-CD 3.41Å; R258-P319 WeakPolarHBondContact O-CG 3.18Å; S259-P319 CarbonylContact C-O 3.51Å; S259-P319 WeakPolarHBondContact CA-O 3.22Å; S259-P319 VanDerWaalsContact CB-O 3.29Å; S259-P319 WeakPolarHBondContact CB-O 3.45Å; F260-P319 WeakPolarHBondContact CD1-O 3.19Å; F260-P319 PolarHBondContact N-O 2.96Å; S274-P319 WeakPolarHBondContact OG-CB 3.26Å; W276-P319 HydrophobicContact CZ2-CB 4.17Å; W276-P319 HydrophobicContact CZ2-CG 3.96Å; M277-P319 VanDerWaalsContact SD-C 3.6Å; M277-P319 HydrophobicContact SD-CB 4.29Å; P319-E373 HydrophobicContact CB-CG 4.25Å
320	G	90.5	Very high	88.2	Confident	3 Å²	3	39.6 Å²	39.6	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	178	176.2	0	0	0	0	0	113.6	F260 L272 M277 L318	F260-G320 VanDerWaalsContact CE1-CA 3.46Å; F260-G320 CarbonylContact O-C 3.51Å; F260-G320 WeakPolarHBondContact O-CA 3.29Å; L272-G320 WeakPolarHBondContact CD1-O 3.42Å; M277-G320 VanDerWaalsContact SD-C 3.51Å; M277-G320 WeakPolarHBondContact SD-CA 3.49Å; L318-G320 PolarHBondContact O-N 3.38Å
321	I	90.6	Very high	88.2	Confident	10 Å²	10	38.2 Å²	38.2	5%	0.051	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	143.8	166.2	-167.6	169.4	0	0	0	109.5	F260 I261 N262 L272 M277 Y281 I323 M357	F260-I321 PolarHBondContact O-N 3.17Å; F260-I321 VanDerWaalsContact O-N 3.1Å; I261-I321 HydrophobicContact CB-CG2 4.3Å; I261-I321 HydrophobicContact CG1-CG2 3.96Å; I261-I321 HydrophobicContact CG2-CG2 4.05Å; N262-I321 PolarHBondContact N-O 2.86Å; L272-I321 HydrophobicContact CD1-CB 4.05Å; L272-I321 HydrophobicContact CD1-CG1 4.01Å; M277-I321 HydrophobicContact CE-CB 4.24Å; M277-I321 HydrophobicContact CE-CG2 3.88Å; Y281-I321 HydrophobicContact CD2-CD1 3.77Å; Y281-I321 HydrophobicContact CG-CD1 3.9Å; I321-I323 HydrophobicContact CG1-CG1 4.46Å; I321-I323 HydrophobicContact CG2-CD1 4.41Å; I321-I323 HydrophobicContact CG2-CG1 4.43Å; I321-M357 HydrophobicContact CG2-CE 4.18Å
322	D	88.9	Confident	87.9	Confident	37 Å²	37	40 Å²	40	20%	0.198	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.8	175.5	-156.1	10.4	0	0	0	108.9	N262 G269 T307 F309	N262-D322 WeakPolarHBondContact CB-OD1 3.05Å; N262-D322 PolarHBondContact ND2-OD1 3.21Å; G269-D322 PolarHBondContact N-OD2 3.27Å; T307-D322 PolarHBondContact OG1-OD2 3.26Å; F309-D322 HydrophobicContact CB-CB 4.11Å; F309-D322 HydrophobicContact CD2-CB 3.65Å; F309-D322 HydrophobicContact CE2-CB 4.32Å; F309-D322 HydrophobicContact CG-CB 3.96Å
323	I	90.2	Very high	87.6	Confident	33 Å²	33	42.5 Å²	42.5	17%	0.169	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	109.9	-178.6	-58.7	176	0	0	0	108.1	I261 N262 L263 E264 Y281 I321 V354	I261-I323 HydrophobicContact CG2-CD1 4.01Å; N262-I323 PolarHBondContact O-N 3.2Å; L263-I323 WeakPolarHBondContact CA-O 3.4Å; L263-I323 HydrophobicContact CD2-CB 3.97Å; L263-I323 HydrophobicContact CD2-CD1 4.41Å; L263-I323 HydrophobicContact CD2-CG2 4.49Å; E264-I323 PolarHBondContact N-O 3.29Å; E264-I323 VanDerWaalsContact N-O 3.11Å; Y281-I323 HydrophobicContact CD2-CD1 4.36Å; Y281-I323 HydrophobicContact CE2-CD1 4.14Å; I321-I323 HydrophobicContact CG1-CG1 4.46Å; I321-I323 HydrophobicContact CG2-CD1 4.41Å; I321-I323 HydrophobicContact CG2-CG1 4.43Å; I323-V354 HydrophobicContact CD1-CG2 4.19Å
324	A	85.9	Confident	87.3	Confident	32 Å²	32	41.7 Å²	41.7	26%	0.264	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	143.8	-173.9	0	0	0	0	0	114	E264 G267 V326	E264-A324 HydrophobicContact CB-CB 4.23Å; E264-A324 CarbonylContact O-C 3.58Å; E264-A324 WeakPolarHBondContact O-CA 3.43Å; G267-A324 WeakPolarHBondContact O-CB 3.34Å; A324-V326 HydrophobicContact CB-CG1 4.46Å; A324-V326 PolarHBondContact O-N 3.16Å
325	F	82.7	Confident	87.1	Confident	38 Å²	38	40.2 Å²	40.2	17%	0.167	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	116.1	166	-75.5	-98.3	0	0	0	110.3	V206 E264 A266 C346 A350	V206-F325 HydrophobicContact CG1-CD2 3.93Å; V206-F325 HydrophobicContact CG1-CE2 3.69Å; V206-F325 HydrophobicContact CG1-CG 4.49Å; V206-F325 HydrophobicContact CG1-CZ 4.04Å; V206-F325 HydrophobicContact CG2-CE1 4.35Å; V206-F325 HydrophobicContact CG2-CE2 4.27Å; V206-F325 HydrophobicContact CG2-CZ 3.83Å; E264-F325 PolarHBondContact O-N 3.02Å; A266-F325 WeakPolarHBondContact CA-O 3.43Å; A266-F325 PolarHBondContact N-O 3Å; F325-C346 WeakPolarHBondContact CE1-SG 3.43Å; F325-A350 HydrophobicContact CE1-CB 4.23Å; F325-A350 HydrophobicContact CE2-CB 4.2Å; F325-A350 HydrophobicContact CZ-CB 3.53Å
326	V	77.8	Confident	87	Confident	46 Å²	46	36.7 Å²	36.7	28%	0.279	18%	0.183	S	C	.	.			trans	-111.9	-11.5	-175.5	-61.9	0	0	0	0	114.7	A324 L602	A324-V326 HydrophobicContact CB-CG1 4.46Å; A324-V326 PolarHBondContact O-N 3.16Å; V326-L602 HydrophobicContact CB-CD1 4.45Å; V326-L602 HydrophobicContact CG1-CD1 4.45Å
327	K	81.7	Confident	87	Confident	72 Å²	72	35.6 Å²	35.6	31%	0.313	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	147.9	-178.2	-70.6	-70.5	-178.7	178.3	0	111	D58 G329 S601	D58-K327 WeakPolarHBondContact OD1-CE 3.49Å; D58-K327 IonicContact OD1-NZ 2.78Å; D58-K327 PolarHBondContact OD1-NZ 3.2Å; D58-K327 IonicContact OD2-NZ 3.33Å; D58-K327 PolarHBondContact OD2-NZ 3.41Å; K327-G329 PolarHBondContact O-N 2.86Å; K327-S601 PolarHBondContact NZ-OG 3.03Å
328	N	83.7	Confident	87	Confident	56 Å²	56	30.6 Å²	30.6	30%	0.299	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	39.4	-179.7	-163.1	26.7	0	0	0	115.1	Y330 V331	N328-Y330 PolarHBondContact O-N 3.48Å; N328-Y330 WeakPolarHBondContact OD1-CD2 3.33Å; N328-V331 PolarHBondContact O-N 3.25Å
329	G	86.4	Confident	87.1	Confident	11 Å²	11	30.2 Å²	30.2	11%	0.113	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	3.2	177.6	0	0	0	0	0	116.4	K327 V331 P605 R682	K327-G329 PolarHBondContact O-N 2.86Å; G329-V331 VanDerWaalsContact C-N 3.31Å; G329-P605 WeakPolarHBondContact O-CB 3.39Å; G329-R682 PolarHBondContact O-NH2 2.83Å
330	Y	87.1	Confident	87	Confident	23 Å²	23	35.9 Å²	35.9	9%	0.09	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-31.8	171.6	-60.3	-85.9	0	0	0	112.3	N328 N334 Y475 V604 P605 R679 R682	N328-Y330 PolarHBondContact O-N 3.48Å; N328-Y330 WeakPolarHBondContact OD1-CD2 3.33Å; Y330-N334 PolarHBondContact O-ND2 3.25Å; Y330-Y475 AromaticContact CD1-CD2 3.9Å; Y330-Y475 HydrophobicContact CD1-CD2 3.9Å; Y330-Y475 HydrophobicContact CD1-CE1 4.46Å; Y330-Y475 AromaticContact CD1-CE2 3.36Å; Y330-Y475 HydrophobicContact CD1-CE2 3.36Å; Y330-Y475 AromaticContact CD1-CZ 3.69Å; Y330-Y475 AromaticContact CE1-CD2 3.65Å; Y330-Y475 HydrophobicContact CE1-CD2 3.65Å; Y330-Y475 AromaticContact CE1-CE2 3.63Å; Y330-Y475 HydrophobicContact CE1-CE2 3.63Å; Y330-Y475 HydrophobicContact CE1-CG 4.35Å; Y330-Y475 WeakPolarHBondContact CE1-O 3.05Å; Y330-V604 HydrophobicContact CE1-CG1 4Å; Y330-V604 VanDerWaalsContact OH-CG1 3.24Å; Y330-V604 WeakPolarHBondContact OH-CG1 2.92Å; Y330-P605 HydrophobicContact CD1-CG 4.43Å; Y330-P605 HydrophobicContact CD2-CG 4.11Å; Y330-P605 HydrophobicContact CE1-CG 4.29Å; Y330-P605 HydrophobicContact CE2-CG 3.98Å; Y330-P605 HydrophobicContact CG-CG 4.33Å; Y330-R679 HydrophobicContact CD1-CB 4.31Å; Y330-R679 HydrophobicContact CD1-CG 3.85Å; Y330-R679 HydrophobicContact CE1-CG 4.13Å; Y330-R679 HydrophobicContact CG-CG 4.24Å; Y330-R682 PolarHBondContact O-NH2 2.73Å
331	V	87.8	Confident	87	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.024	18%	0.181	C	C	.	.	S	Bend	trans	-90.4	-20.4	-177.2	-58.7	0	0	0	0	114.2	N328 G329 N334 F336 D337 Y341 P678	N328-V331 PolarHBondContact O-N 3.25Å; G329-V331 VanDerWaalsContact C-N 3.31Å; V331-N334 VanDerWaalsContact C-ND2 3.28Å; V331-N334 WeakPolarHBondContact CA-ND2 3.3Å; V331-N334 PolarHBondContact O-N 3.1Å; V331-N334 PolarHBondContact O-ND2 2.74Å; V331-N334 PolarHBondContact O-OD1 2.7Å; V331-F336 HydrophobicContact CB-CB 4.36Å; V331-F336 HydrophobicContact CG1-CB 4.01Å; V331-D337 WeakPolarHBondContact O-CB 2.9Å; V331-Y341 HydrophobicContact CG1-CD2 4.47Å; V331-Y341 HydrophobicContact CG1-CG 4.21Å; V331-P678 HydrophobicContact CG1-CG 3.91Å
332	Y	86.3	Confident	87	Confident	37 Å²	37	37.6 Å²	37.6	15%	0.145	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.2	137.8	178.3	-173.8	-105.4	0	0	0	112.6	D203 G265 A266 N334 R682	D203-Y332 HydrophobicContact CB-CD2 4.04Å; D203-Y332 HydrophobicContact CB-CE2 3.93Å; D203-Y332 WeakPolarHBondContact OD2-CE2 3.33Å; G265-Y332 WeakPolarHBondContact O-CE2 3.26Å; A266-Y332 HydrophobicContact CB-CD2 3.8Å; A266-Y332 HydrophobicContact CB-CE2 3.8Å; A266-Y332 HydrophobicContact CB-CG 4.36Å; Y332-N334 VanDerWaalsContact C-N 3.32Å; Y332-N334 PolarHBondContact O-N 2.69Å; Y332-N334 PolarHBondContact O-ND2 3.38Å; Y332-R682 PolarHBondContact O-NH1 3.38Å; Y332-R682 PolarHBondContact O-NH2 2.96Å
333	H	86.3	Confident	87	Confident	53 Å²	53	39.8 Å²	39.8	25%	0.245	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	41.2	-178.3	-64	-170.2	0	0	0	115.3	V195 D203 E238	V195-H333 HydrophobicContact CG1-CB 4.5Å; V195-H333 HydrophobicContact CG2-CB 3.9Å; D203-H333 IonicContact OD2-CD2 3.79Å; D203-H333 PolarHBondContact OD2-CD2 3.01Å; D203-H333 IonicContact OD2-NE2 2.96Å; D203-H333 PolarHBondContact OD2-NE2 3.41Å; E238-H333 IonicContact OE1-NE2 2.74Å; E238-H333 IonicContact OE2-CE1 3.33Å; E238-H333 IonicContact OE2-NE2 3.25Å; E238-H333 PolarHBondContact OE2-NE2 2.8Å
334	N	84.1	Confident	87	Confident	7 Å²	7	42.7 Å²	42.7	4%	0.037	22%	0.217	C	C	.	.	S	Bend	trans	-152.8	172.6	169	69	68.4	0	0	0	113.1	S198 P199 Y330 V331 Y332 F336 D337 R682 T863	S198-N334 PolarHBondContact OG-O 3.06Å; P199-N334 WeakPolarHBondContact CD-O 3.44Å; Y330-N334 PolarHBondContact O-ND2 3.25Å; V331-N334 VanDerWaalsContact C-ND2 3.28Å; V331-N334 WeakPolarHBondContact CA-ND2 3.3Å; V331-N334 PolarHBondContact O-N 3.1Å; V331-N334 PolarHBondContact O-ND2 2.74Å; V331-N334 PolarHBondContact O-OD1 2.7Å; Y332-N334 VanDerWaalsContact C-N 3.32Å; Y332-N334 PolarHBondContact O-N 2.69Å; Y332-N334 PolarHBondContact O-ND2 3.38Å; N334-F336 PolarHBondContact O-N 2.59Å; N334-F336 VanDerWaalsContact OD1-CB 3.29Å; N334-F336 WeakPolarHBondContact OD1-CB 3.36Å; N334-F336 WeakPolarHBondContact OD1-CD2 2.96Å; N334-F336 PolarHBondContact OD1-N 3.28Å; N334-D337 WeakPolarHBondContact O-CB 2.94Å; N334-D337 PolarHBondContact O-N 2.96Å; N334-R682 PolarHBondContact ND2-NE 3.26Å; N334-R682 PolarHBondContact ND2-NH2 2.8Å; N334-T863 HydrophobicContact CB-CG2 3.96Å
335	E	84.9	Confident	87.3	Confident	31 Å²	31	41.1 Å²	41.1	15%	0.145	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-15.4	-174.9	73.2	-164.9	125.9	0	0	115.7	R338 R848 T863	E335-R338 PolarHBondContact O-NE 2.85Å; E335-R848 IonicContact OE1-CZ 3.77Å; E335-R848 IonicContact OE1-NH1 3.19Å; E335-R848 PolarHBondContact OE1-NH1 3.18Å; E335-R848 IonicContact OE1-NH2 3.95Å; E335-R848 PolarHBondContact OE1-NH2 3.1Å; E335-R848 IonicContact OE2-CZ 3.41Å; E335-R848 IonicContact OE2-NH1 3.5Å; E335-R848 IonicContact OE2-NH2 2.82Å; E335-R848 PolarHBondContact OE2-NH2 3.1Å; E335-T863 WeakPolarHBondContact OE1-CB 3.43Å; E335-T863 PolarHBondContact OE1-OG1 3.09Å
336	F	88.4	Confident	87.7	Confident	12 Å²	12	40.3 Å²	40.3	5%	0.053	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	1.6	176.7	-60.6	-82.6	0	0	0	113.1	V331 N334 R338 Y341 Y673 P678 L680	V331-F336 HydrophobicContact CB-CB 4.36Å; V331-F336 HydrophobicContact CG1-CB 4.01Å; N334-F336 PolarHBondContact O-N 2.59Å; N334-F336 VanDerWaalsContact OD1-CB 3.29Å; N334-F336 WeakPolarHBondContact OD1-CB 3.36Å; N334-F336 WeakPolarHBondContact OD1-CD2 2.96Å; N334-F336 PolarHBondContact OD1-N 3.28Å; F336-R338 PolarHBondContact O-N 3.26Å; F336-Y341 HydrophobicContact CB-CE2 3.99Å; F336-Y341 HydrophobicContact CD1-CE2 4.18Å; F336-Y341 WeakPolarHBondContact CD1-OH 3.45Å; F336-Y341 WeakPolarHBondContact O-CD2 3.42Å; F336-Y341 VanDerWaalsContact O-CE2 3.29Å; F336-Y341 WeakPolarHBondContact O-CE2 3.03Å; F336-Y673 AromaticContact CE1-CE2 3.94Å; F336-Y673 HydrophobicContact CE1-CE2 3.94Å; F336-Y673 HydrophobicContact CZ-CD2 4.46Å; F336-Y673 AromaticContact CZ-CE2 3.7Å; F336-Y673 HydrophobicContact CZ-CE2 3.7Å; F336-P678 HydrophobicContact CB-CB 4.32Å; F336-P678 HydrophobicContact CB-CG 3.72Å; F336-P678 HydrophobicContact CD1-CB 3.98Å; F336-P678 HydrophobicContact CD1-CG 3.89Å; F336-P678 HydrophobicContact CD2-CB 4.07Å; F336-P678 HydrophobicContact CD2-CG 4.39Å; F336-P678 HydrophobicContact CE1-CB 4.33Å; F336-P678 HydrophobicContact CE2-CB 4.46Å; F336-P678 HydrophobicContact CG-CB 3.83Å; F336-P678 HydrophobicContact CG-CG 3.73Å; F336-L680 HydrophobicContact CD2-CD1 3.85Å; F336-L680 HydrophobicContact CE2-CD1 3.13Å; F336-L680 HydrophobicContact CZ-CD1 3.7Å
337	D	91.2	Very high	88.4	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	19%	0.19	C	C	.	.			trans	-71.2	79.8	170.6	-171.6	24.2	0	0	0	110.7	P199 G200 A201 S202 D203 V331 N334	P199-D337 WeakPolarHBondContact CB-O 3.39Å; P199-D337 WeakPolarHBondContact CG-O 3.35Å; G200-D337 VanDerWaalsContact C-OD2 3.24Å; G200-D337 WeakPolarHBondContact CA-OD2 3.39Å; A201-D337 VanDerWaalsContact CB-O 3.23Å; A201-D337 WeakPolarHBondContact CB-O 3.47Å; A201-D337 VanDerWaalsContact N-CG 3.33Å; A201-D337 PolarHBondContact N-O 3.06Å; A201-D337 PolarHBondContact N-OD2 3.26Å; S202-D337 VanDerWaalsContact CB-OD1 3.3Å; S202-D337 WeakPolarHBondContact CB-OD1 3.3Å; S202-D337 PolarHBondContact N-OD1 3.11Å; S202-D337 PolarHBondContact N-OD2 3.38Å; S202-D337 PolarHBondContact OG-OD1 3.34Å; D203-D337 PolarHBondContact N-OD2 3.4Å; V331-D337 WeakPolarHBondContact O-CB 2.9Å; N334-D337 WeakPolarHBondContact O-CB 2.94Å; N334-D337 PolarHBondContact O-N 2.96Å
338	R	91.7	Very high	89	Confident	105 Å²	105	34.7 Å²	34.7	40%	0.396	18%	0.175	S	C	.	.	S	Bend	trans	-128.9	155.4	-170.9	-61.8	-179	-176.1	-151.4	-3.8	111.8	P199 A201 E335 F336 E340 Y341	P199-R338 HydrophobicContact CG-CG 3.97Å; A201-R338 VanDerWaalsContact CB-CA 3.47Å; E335-R338 PolarHBondContact O-NE 2.85Å; F336-R338 PolarHBondContact O-N 3.26Å; R338-E340 VanDerWaalsContact CB-OE2 3.26Å; R338-E340 WeakPolarHBondContact CB-OE2 3.38Å; R338-E340 WeakPolarHBondContact CD-OE2 3.47Å; R338-E340 PolarHBondContact O-N 2.99Å; R338-E340 VanDerWaalsContact O-N 3.1Å; R338-Y341 HydrophobicContact CB-CD2 4.03Å; R338-Y341 HydrophobicContact CB-CE2 4.32Å; R338-Y341 PolarHBondContact O-N 3.28Å
339	P	91.7	Very high	89.4	Confident	8 Å²	8	33.8 Å²	33.8	5%	0.052	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-55.1	-32.4	-178.2	-26.1	34.3	0	0	0	114	R85 L88 E89 V92 A201 Y341 I342	R85-P339 PolarHBondContact NH1-O 2.91Å; L88-P339 HydrophobicContact CD2-CB 4.12Å; L88-P339 HydrophobicContact CD2-CG 4.27Å; L88-P339 HydrophobicContact CG-CB 4.38Å; L88-P339 HydrophobicContact CG-CG 4.04Å; E89-P339 HydrophobicContact CG-CB 4.48Å; E89-P339 HydrophobicContact CG-CG 4.44Å; V92-P339 HydrophobicContact CB-CG 4.17Å; V92-P339 HydrophobicContact CG1-CG 4.26Å; V92-P339 HydrophobicContact CG2-CG 4.14Å; A201-P339 HydrophobicContact CB-CG 4.29Å; P339-Y341 PolarHBondContact O-N 2.85Å; P339-I342 PolarHBondContact O-N 3.13Å; P339-I342 VanDerWaalsContact O-N 3.15Å
340	E	90.2	Very high	89.7	Confident	135 Å²	135	34 Å²	34	63%	0.631	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-60.9	-25.2	178.8	-50.8	83.6	-109.5	0	0	113.8	R338	R338-E340 VanDerWaalsContact CB-OE2 3.26Å; R338-E340 WeakPolarHBondContact CB-OE2 3.38Å; R338-E340 WeakPolarHBondContact CD-OE2 3.47Å; R338-E340 PolarHBondContact O-N 2.99Å; R338-E340 VanDerWaalsContact O-N 3.1Å
341	Y	89.4	Confident	90.1	Very high	31 Å²	31	32.9 Å²	32.9	12%	0.122	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-93.7	-0.2	-179.8	-61.2	-74.5	0	0	0	113.6	V331 F336 R338 P339 L675 P678	V331-Y341 HydrophobicContact CG1-CD2 4.47Å; V331-Y341 HydrophobicContact CG1-CG 4.21Å; F336-Y341 HydrophobicContact CB-CE2 3.99Å; F336-Y341 HydrophobicContact CD1-CE2 4.18Å; F336-Y341 WeakPolarHBondContact CD1-OH 3.45Å; F336-Y341 WeakPolarHBondContact O-CD2 3.42Å; F336-Y341 VanDerWaalsContact O-CE2 3.29Å; F336-Y341 WeakPolarHBondContact O-CE2 3.03Å; R338-Y341 HydrophobicContact CB-CD2 4.03Å; R338-Y341 HydrophobicContact CB-CE2 4.32Å; R338-Y341 PolarHBondContact O-N 3.28Å; P339-Y341 PolarHBondContact O-N 2.85Å; Y341-L675 VanDerWaalsContact CE1-O 3.25Å; Y341-L675 WeakPolarHBondContact CE1-O 3.17Å; Y341-L675 PolarHBondContact OH-O 3.43Å; Y341-P678 HydrophobicContact CD1-CG 4.38Å; Y341-P678 HydrophobicContact CE1-CG 3.75Å; Y341-P678 HydrophobicContact CE2-CG 4.46Å
342	I	90.2	Very high	90.5	Very high	17 Å²	17	34.9 Å²	34.9	9%	0.087	17%	0.173	C	C	.	.	S	Bend	trans	-90.6	110.1	172.3	-60.3	172.9	0	0	0	108.3	R85 L88 A201 V206 P339 T344 C346 I347	R85-I342 PolarHBondContact NH1-O 2.67Å; R85-I342 PolarHBondContact NH2-O 2.87Å; L88-I342 HydrophobicContact CD2-CD1 3.75Å; A201-I342 HydrophobicContact CB-CD1 4.29Å; V206-I342 HydrophobicContact CB-CD1 4.1Å; V206-I342 HydrophobicContact CG2-CD1 4.27Å; P339-I342 PolarHBondContact O-N 3.13Å; P339-I342 VanDerWaalsContact O-N 3.15Å; I342-T344 PolarHBondContact O-N 3.43Å; I342-C346 HydrophobicContact CG2-CB 4.29Å; I342-I347 HydrophobicContact CG2-CD1 4.18Å; I342-I347 HydrophobicContact CG2-CG1 3.95Å
343	T	89.8	Confident	90.9	Very high	83 Å²	83	33.6 Å²	33.6	51%	0.509	17%	0.168	S	C	.	.			trans	-52	132.8	-178.8	-52.5	0	0	0	0	111.9	M61 R85 G345 C346	M61-T343 HydrophobicContact CG-CG2 4.3Å; R85-T343 PolarHBondContact NH2-O 3.08Å; T343-G345 PolarHBondContact O-N 2.88Å; T343-C346 WeakPolarHBondContact O-CB 3.28Å; T343-C346 PolarHBondContact O-N 3.4Å
344	T	90.3	Very high	91.3	Very high	94 Å²	94	31.2 Å²	31.2	58%	0.577	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	133.5	173.7	-54.9	0	0	0	0	111.2	M61 P64 E81 I342 C346	M61-T344 WeakPolarHBondContact CB-O 3.32Å; P64-T344 HydrophobicContact CG-CG2 3.34Å; E81-T344 WeakPolarHBondContact OE1-CA 3.41Å; I342-T344 PolarHBondContact O-N 3.43Å; T344-C346 VanDerWaalsContact C-N 3.31Å
345	G	91.1	Very high	91.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	-15.7	-176.3	0	0	0	0	0	114	P62 E81 T343 Q348 R349	P62-G345 WeakPolarHBondContact CD-O 3.34Å; P62-G345 WeakPolarHBondContact CG-O 3.29Å; P62-G345 WeakPolarHBondContact O-CA 3.38Å; E81-G345 VanDerWaalsContact CD-N 3.3Å; E81-G345 PolarHBondContact OE1-N 3.49Å; E81-G345 WeakPolarHBondContact OE2-CA 3.42Å; E81-G345 PolarHBondContact OE2-N 3.21Å; T343-G345 PolarHBondContact O-N 2.88Å; G345-Q348 PolarHBondContact O-N 3.37Å; G345-R349 WeakPolarHBondContact O-CB 3.38Å; G345-R349 PolarHBondContact O-N 3.35Å
346	C	91.3	Very high	92.4	Very high	21 Å²	21	31.1 Å²	31.1	14%	0.142	16%	0.161	C	C	.	.	H	α-helix	trans	-67	-39.5	178.6	-165.6	0	0	0	0	111.9	M61 F325 I342 T343 T344 A350	M61-C346 HydrophobicContact CE-CB 4.36Å; M61-C346 HydrophobicContact SD-CB 4.3Å; F325-C346 WeakPolarHBondContact CE1-SG 3.43Å; I342-C346 HydrophobicContact CG2-CB 4.29Å; T343-C346 WeakPolarHBondContact O-CB 3.28Å; T343-C346 PolarHBondContact O-N 3.4Å; T344-C346 VanDerWaalsContact C-N 3.31Å; C346-A350 WeakPolarHBondContact O-CB 3.37Å; C346-A350 PolarHBondContact O-N 3.43Å
347	I	93.3	Very high	92.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-71.3	-39.2	177.3	-57	179.4	0	0	0	109.7	F79 E81 A84 R85 L88 V206 V210 I342 A350 G351	F79-I347 HydrophobicContact CE1-CG2 4.1Å; F79-I347 VanDerWaalsContact CE1-O 3.29Å; F79-I347 WeakPolarHBondContact CE1-O 3.39Å; F79-I347 HydrophobicContact CZ-CG2 4.04Å; E81-I347 HydrophobicContact CB-CB 4.21Å; E81-I347 HydrophobicContact CB-CG2 4.38Å; E81-I347 HydrophobicContact CG-CB 3.82Å; E81-I347 HydrophobicContact CG-CG2 4.32Å; E81-I347 PolarHBondContact OE2-N 3.14Å; A84-I347 HydrophobicContact CB-CG2 3.74Å; R85-I347 HydrophobicContact CG-CD1 3.66Å; L88-I347 HydrophobicContact CD2-CD1 4.12Å; V206-I347 HydrophobicContact CG2-CD1 3.77Å; V206-I347 HydrophobicContact CG2-CG1 3.61Å; V210-I347 HydrophobicContact CG2-CG2 4Å; I342-I347 HydrophobicContact CG2-CD1 4.18Å; I342-I347 HydrophobicContact CG2-CG1 3.95Å; I347-A350 PolarHBondContact O-N 2.7Å; I347-G351 PolarHBondContact O-N 3.04Å
348	Q	94.5	Very high	93	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.4	-48.9	175	-171.4	68.2	42.7	0	0	110.7	P62 V65 F79 E81 G345 A350 G351 E352	P62-Q348 HydrophobicContact CB-CG 4.48Å; P62-Q348 HydrophobicContact CG-CB 4.19Å; P62-Q348 HydrophobicContact CG-CG 4.24Å; V65-Q348 VanDerWaalsContact N-OE1 3.09Å; F79-Q348 PolarHBondContact O-NE2 2.74Å; E81-Q348 HydrophobicContact CB-CB 3.86Å; E81-Q348 VanDerWaalsContact OE2-CB 3.3Å; E81-Q348 WeakPolarHBondContact OE2-CB 3.41Å; E81-Q348 PolarHBondContact OE2-N 3.41Å; G345-Q348 PolarHBondContact O-N 3.37Å; Q348-A350 PolarHBondContact O-N 2.94Å; Q348-G351 PolarHBondContact O-N 3.41Å; Q348-E352 VanDerWaalsContact NE2-CD 3.35Å; Q348-E352 PolarHBondContact NE2-OE1 3.5Å; Q348-E352 WeakPolarHBondContact O-CB 3.36Å; Q348-E352 WeakPolarHBondContact O-CG 3.34Å; Q348-E352 PolarHBondContact O-N 3.48Å
349	R	92.4	Very high	93.2	Very high	37 Å²	37	27.9 Å²	27.9	14%	0.14	15%	0.151	C	C	.	.	H	α-helix	trans	-54.8	-52.4	174.2	169.5	176.9	-70.4	175.2	-1.7	111.5	R60 M61 P62 Y287 G345 E352 N353	R60-R349 PolarHBondContact O-NH2 2.97Å; M61-R349 VanDerWaalsContact SD-CZ 3.51Å; M61-R349 PolarHBondContact SD-NH1 2.85Å; M61-R349 VanDerWaalsContact SD-NH1 3.42Å; P62-R349 HydrophobicContact CG-CB 3.8Å; Y287-R349 HydrophobicContact CD2-CB 4.48Å; Y287-R349 HydrophobicContact CD2-CG 4.21Å; Y287-R349 HydrophobicContact CG-CG 4.28Å; G345-R349 WeakPolarHBondContact O-CB 3.38Å; G345-R349 PolarHBondContact O-N 3.35Å; R349-E352 PolarHBondContact O-N 3.24Å; R349-N353 VanDerWaalsContact O-CB 3.28Å; R349-N353 WeakPolarHBondContact O-CB 3.46Å; R349-N353 PolarHBondContact O-N 2.83Å; R349-N353 PolarHBondContact O-OD1 3.35Å
350	A	92.7	Very high	93.4	Very high	15 Å²	15	27.9 Å²	27.9	12%	0.124	15%	0.152	C	C	.	.	H	α-helix	trans	-60.4	-48.1	-177.9	0	0	0	0	0	111.1	V210 F325 C346 I347 Q348 N353 V354	V210-A350 HydrophobicContact CG2-CB 4.44Å; F325-A350 HydrophobicContact CE1-CB 4.23Å; F325-A350 HydrophobicContact CE2-CB 4.2Å; F325-A350 HydrophobicContact CZ-CB 3.53Å; C346-A350 WeakPolarHBondContact O-CB 3.37Å; C346-A350 PolarHBondContact O-N 3.43Å; I347-A350 PolarHBondContact O-N 2.7Å; Q348-A350 PolarHBondContact O-N 2.94Å; A350-N353 PolarHBondContact O-N 3.37Å; A350-V354 WeakPolarHBondContact O-CB 3.37Å; A350-V354 VanDerWaalsContact O-CG2 3.26Å; A350-V354 WeakPolarHBondContact O-CG2 3.22Å; A350-V354 PolarHBondContact O-N 3.28Å
351	G	95	Very high	93.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.1	-44.1	178.7	0	0	0	0	0	114.1	F79 I347 Q348 L355	F79-G351 VanDerWaalsContact CE2-CA 3.44Å; I347-G351 PolarHBondContact O-N 3.04Å; Q348-G351 PolarHBondContact O-N 3.41Å; G351-L355 WeakPolarHBondContact O-CB 3.46Å; G351-L355 PolarHBondContact O-N 2.76Å
352	E	95.2	Very high	93.8	Very high	46 Å²	46	20.4 Å²	20.4	22%	0.215	12%	0.118	C	C	.	.	H	α-helix	trans	-65.1	-40.4	176.5	-72.8	-178.7	167.6	0	0	111.6	F79 P286 Y287 Q348 R349 A356	F79-E352 HydrophobicContact CB-CG 4.37Å; P286-E352 HydrophobicContact CG-CB 4.17Å; Y287-E352 HydrophobicContact CE2-CB 4.09Å; Y287-E352 WeakPolarHBondContact CE2-OE2 3.5Å; Y287-E352 PolarHBondContact OH-OE2 3.02Å; Q348-E352 VanDerWaalsContact NE2-CD 3.35Å; Q348-E352 PolarHBondContact NE2-OE1 3.5Å; Q348-E352 WeakPolarHBondContact O-CB 3.36Å; Q348-E352 WeakPolarHBondContact O-CG 3.34Å; Q348-E352 PolarHBondContact O-N 3.48Å; R349-E352 PolarHBondContact O-N 3.24Å; E352-A356 VanDerWaalsContact O-CB 3.25Å; E352-A356 WeakPolarHBondContact O-CB 3.4Å; E352-A356 PolarHBondContact O-N 3.11Å
353	N	94.4	Very high	94	Very high	10 Å²	10	27.2 Å²	27.2	5%	0.053	15%	0.15	C	C	.	.	H	α-helix	trans	-64.6	-49.5	175.9	-74.5	-3.3	0	0	0	112.5	V285 P286 Y287 R349 A350 A356 M357	V285-N353 HydrophobicContact CG1-CB 3.55Å; V285-N353 WeakPolarHBondContact CG1-OD1 3.36Å; P286-N353 WeakPolarHBondContact CD-OD1 3.45Å; Y287-N353 WeakPolarHBondContact CD2-OD1 3.49Å; Y287-N353 PolarHBondContact N-OD1 3.42Å; Y287-N353 PolarHBondContact O-ND2 2.86Å; R349-N353 VanDerWaalsContact O-CB 3.28Å; R349-N353 WeakPolarHBondContact O-CB 3.46Å; R349-N353 PolarHBondContact O-N 2.83Å; R349-N353 PolarHBondContact O-OD1 3.35Å; A350-N353 PolarHBondContact O-N 3.37Å; N353-A356 PolarHBondContact O-N 3.48Å; N353-M357 WeakPolarHBondContact O-CB 3.46Å; N353-M357 PolarHBondContact O-N 3.37Å
354	V	96.1	Very high	94.1	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.012	13%	0.132	C	C	.	.	H	α-helix	trans	-66.5	-42	-179.9	178.2	0	0	0	0	110.3	I214 L263 I323 A350 A356 M357 V358	I214-V354 HydrophobicContact CD1-CB 3.67Å; I214-V354 HydrophobicContact CD1-CG1 3.39Å; L263-V354 HydrophobicContact CD1-CG1 4.46Å; L263-V354 HydrophobicContact CD1-CG2 4.29Å; L263-V354 HydrophobicContact CD2-CG1 4.35Å; L263-V354 HydrophobicContact CD2-CG2 3.6Å; I323-V354 HydrophobicContact CD1-CG2 4.19Å; A350-V354 WeakPolarHBondContact O-CB 3.37Å; A350-V354 VanDerWaalsContact O-CG2 3.26Å; A350-V354 WeakPolarHBondContact O-CG2 3.22Å; A350-V354 PolarHBondContact O-N 3.28Å; V354-A356 PolarHBondContact O-N 2.96Å; V354-M357 PolarHBondContact O-N 3.32Å; V354-V358 HydrophobicContact CG1-CG2 4.36Å; V354-V358 VanDerWaalsContact O-CG2 3.29Å; V354-V358 WeakPolarHBondContact O-CG2 3.27Å; V354-V358 PolarHBondContact O-N 3.44Å
355	L	96.6	Very high	94.2	Very high	17 Å²	17	25.2 Å²	25.2	9%	0.089	13%	0.134	C	C	.	.	H	α-helix	trans	-61.2	-43.2	175.7	-179.3	62.2	0	0	0	111.9	F79 I214 V217 L218 G351 M357 V358 N359	F79-L355 HydrophobicContact CB-CD2 4.41Å; I214-L355 HydrophobicContact CD1-CB 4.47Å; I214-L355 HydrophobicContact CG1-CB 4.39Å; I214-L355 HydrophobicContact CG2-CD1 4.33Å; V217-L355 HydrophobicContact CG1-CD1 4.17Å; V217-L355 HydrophobicContact CG1-CD2 3.87Å; L218-L355 HydrophobicContact CD2-CD1 3.86Å; L218-L355 HydrophobicContact CG-CD1 4.25Å; G351-L355 WeakPolarHBondContact O-CB 3.46Å; G351-L355 PolarHBondContact O-N 2.76Å; L355-M357 VanDerWaalsContact C-N 3.35Å; L355-V358 PolarHBondContact O-N 3.4Å; L355-N359 VanDerWaalsContact O-CG 3.26Å; L355-N359 PolarHBondContact O-N 2.81Å; L355-N359 PolarHBondContact O-ND2 3.43Å
356	A	96	Very high	94.1	Very high	20 Å²	20	26 Å²	26	17%	0.165	14%	0.139	C	C	.	.	H	α-helix	trans	-61.7	-43.5	174.7	0	0	0	0	0	111.5	E352 N353 V354 N359 A360	E352-A356 VanDerWaalsContact O-CB 3.25Å; E352-A356 WeakPolarHBondContact O-CB 3.4Å; E352-A356 PolarHBondContact O-N 3.11Å; N353-A356 PolarHBondContact O-N 3.48Å; V354-A356 PolarHBondContact O-N 2.96Å; A356-N359 PolarHBondContact O-N 3.16Å; A356-A360 WeakPolarHBondContact O-CB 3.46Å; A356-A360 PolarHBondContact O-N 2.98Å
357	M	95.4	Very high	94	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.9	-44.6	176.3	-174.5	57.3	-177.3	0	0	112.1	I261 M277 L280 V285 I321 N353 V354 L355 N359 A360 V361	I261-M357 HydrophobicContact CD1-CB 4.21Å; I261-M357 HydrophobicContact CD1-CG 3.61Å; I261-M357 HydrophobicContact CG1-CG 4.44Å; M277-M357 HydrophobicContact CB-CE 3.92Å; M277-M357 HydrophobicContact CE-CE 3.9Å; M277-M357 HydrophobicContact CG-CE 4.34Å; M277-M357 WeakPolarHBondContact O-CE 3.35Å; L280-M357 HydrophobicContact CB-CE 4.06Å; L280-M357 HydrophobicContact CB-SD 3.93Å; V285-M357 HydrophobicContact CG2-CB 4.4Å; I321-M357 HydrophobicContact CG2-CE 4.18Å; N353-M357 WeakPolarHBondContact O-CB 3.46Å; N353-M357 PolarHBondContact O-N 3.37Å; V354-M357 PolarHBondContact O-N 3.32Å; L355-M357 VanDerWaalsContact C-N 3.35Å; M357-N359 VanDerWaalsContact C-N 3.34Å; M357-N359 PolarHBondContact O-N 2.67Å; M357-A360 PolarHBondContact O-N 3.23Å; M357-V361 HydrophobicContact CE-CG2 3.57Å; M357-V361 HydrophobicContact CG-CG2 4.39Å; M357-V361 VanDerWaalsContact O-CG2 3.3Å; M357-V361 WeakPolarHBondContact O-CG2 3.42Å; M357-V361 PolarHBondContact O-N 3.34Å; M357-V361 HydrophobicContact SD-CG2 4.12Å
358	V	96.8	Very high	93.7	Very high	1 Å²	1	34 Å²	34	1%	0.006	17%	0.166	C	C	.	.	H	α-helix	trans	-57.2	-48.3	174.4	171.6	0	0	0	0	110.5	L186 L188 L218 I261 V354 L355 A360 V361 M362	L186-V358 HydrophobicContact CD2-CB 4.44Å; L186-V358 HydrophobicContact CD2-CG1 4.18Å; L186-V358 HydrophobicContact CD2-CG2 4.19Å; L188-V358 HydrophobicContact CD1-CG2 3.83Å; L188-V358 HydrophobicContact CD2-CG2 3.78Å; L188-V358 HydrophobicContact CG-CG2 4.46Å; L218-V358 HydrophobicContact CD1-CG1 3.86Å; I261-V358 HydrophobicContact CD1-CG2 4.01Å; V354-V358 HydrophobicContact CG1-CG2 4.36Å; V354-V358 VanDerWaalsContact O-CG2 3.29Å; V354-V358 WeakPolarHBondContact O-CG2 3.27Å; V354-V358 PolarHBondContact O-N 3.44Å; L355-V358 PolarHBondContact O-N 3.4Å; V358-A360 VanDerWaalsContact C-N 3.33Å; V358-A360 PolarHBondContact O-N 3.25Å; V358-V361 PolarHBondContact O-N 2.03Å; V358-M362 HydrophobicContact CG1-CG 4.21Å; V358-M362 WeakPolarHBondContact O-CB 3.17Å; V358-M362 WeakPolarHBondContact O-CG 3.31Å; V358-M362 PolarHBondContact O-N 3.37Å
359	N	95.4	Very high	93	Very high	48 Å²	48	39.2 Å²	39.2	26%	0.257	19%	0.194	S	C	.	.	H	α-helix	trans	-60.3	-42.5	178.2	-69.7	-38.3	0	0	0	112.2	K221 L355 A356 M357 M362 Q363	K221-N359 PolarHBondContact NZ-OD1 3.25Å; L355-N359 VanDerWaalsContact O-CG 3.26Å; L355-N359 PolarHBondContact O-N 2.81Å; L355-N359 PolarHBondContact O-ND2 3.43Å; A356-N359 PolarHBondContact O-N 3.16Å; M357-N359 VanDerWaalsContact C-N 3.34Å; M357-N359 PolarHBondContact O-N 2.67Å; N359-M362 PolarHBondContact O-N 3.34Å; N359-Q363 WeakPolarHBondContact O-CG 3.21Å; N359-Q363 PolarHBondContact O-N 2.88Å
360	A	95.7	Very high	92.5	Very high	8 Å²	8	42.9 Å²	42.9	7%	0.066	21%	0.213	C	C	.	.	H	α-helix	trans	-65.9	-43.5	178.9	0	0	0	0	0	112.1	L280 N284 A356 M357 V358 Q363 S364	L280-A360 HydrophobicContact CB-CB 4.21Å; L280-A360 HydrophobicContact CD2-CB 4.17Å; N284-A360 HydrophobicContact CB-CB 3.79Å; A356-A360 WeakPolarHBondContact O-CB 3.46Å; A356-A360 PolarHBondContact O-N 2.98Å; M357-A360 PolarHBondContact O-N 3.23Å; V358-A360 VanDerWaalsContact C-N 3.33Å; V358-A360 PolarHBondContact O-N 3.25Å; A360-Q363 PolarHBondContact O-N 3.29Å; A360-S364 PolarHBondContact O-N 2.88Å
361	V	95.2	Very high	91.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.8	-42.1	176.5	173.9	0	0	0	0	111	L186 W276 M277 L280 M357 V358 Q363 S364 M367	L186-V361 HydrophobicContact CD1-CG1 4.04Å; L186-V361 HydrophobicContact CD2-CB 4.2Å; L186-V361 HydrophobicContact CD2-CG1 4Å; L186-V361 HydrophobicContact CG-CG1 4.5Å; W276-V361 HydrophobicContact CH2-CG1 4.09Å; W276-V361 HydrophobicContact CZ3-CG1 4.21Å; W276-V361 HydrophobicContact CZ3-CG2 4.26Å; M277-V361 HydrophobicContact CE-CG2 4.38Å; L280-V361 HydrophobicContact CD1-CB 4.4Å; L280-V361 HydrophobicContact CD1-CG2 3.8Å; M357-V361 HydrophobicContact CE-CG2 3.57Å; M357-V361 HydrophobicContact CG-CG2 4.39Å; M357-V361 VanDerWaalsContact O-CG2 3.3Å; M357-V361 WeakPolarHBondContact O-CG2 3.42Å; M357-V361 PolarHBondContact O-N 3.34Å; M357-V361 HydrophobicContact SD-CG2 4.12Å; V358-V361 PolarHBondContact O-N 2.03Å; V361-Q363 PolarHBondContact O-N 2.99Å; V361-S364 VanDerWaalsContact O-CB 3.26Å; V361-S364 WeakPolarHBondContact O-CB 3.31Å; V361-S364 PolarHBondContact O-N 3.22Å; V361-M367 HydrophobicContact CG1-CG 3.89Å; V361-M367 HydrophobicContact CG1-SD 3.79Å; V361-M367 WeakPolarHBondContact O-CG 3.48Å
362	M	93.4	Very high	90.7	Very high	9 Å²	9	48.3 Å²	48.3	4%	0.044	26%	0.255	C	S	.	.	H	α-helix	trans	-60	-26.3	177.2	-73.8	-63.6	102.2	0	0	113.6	L186 P226 Y227 V229 V358 N359 M367	L186-M362 HydrophobicContact CB-CE 3.27Å; L186-M362 HydrophobicContact CD2-CE 3.7Å; L186-M362 HydrophobicContact CG-CE 4.12Å; P226-M362 HydrophobicContact CG-CB 3.9Å; P226-M362 VanDerWaalsContact CG-O 3.24Å; P226-M362 WeakPolarHBondContact CG-O 3.24Å; P226-M362 HydrophobicContact CG-SD 4.39Å; Y227-M362 HydrophobicContact CD2-CE 4.33Å; Y227-M362 HydrophobicContact CD2-SD 4.08Å; Y227-M362 WeakPolarHBondContact CE2-O 3.13Å; Y227-M362 HydrophobicContact CG-SD 4.43Å; V229-M362 HydrophobicContact CG2-CE 4.39Å; V229-M362 HydrophobicContact CG2-SD 4.1Å; V358-M362 HydrophobicContact CG1-CG 4.21Å; V358-M362 WeakPolarHBondContact O-CB 3.17Å; V358-M362 WeakPolarHBondContact O-CG 3.31Å; V358-M362 PolarHBondContact O-N 3.37Å; N359-M362 PolarHBondContact O-N 3.34Å; M362-M367 HydrophobicContact CE-CE 3.99Å
363	Q	93.1	Very high	89.3	Confident	161 Å²	161	49.5 Å²	49.5	75%	0.752	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-5.5	177.5	-66	176	20.6	0	0	113.1	N359 A360 V361	N359-Q363 WeakPolarHBondContact O-CG 3.21Å; N359-Q363 PolarHBondContact O-N 2.88Å; A360-Q363 PolarHBondContact O-N 3.29Å; V361-Q363 PolarHBondContact O-N 2.99Å
364	S	92.8	Very high	88	Confident	18 Å²	18	51.2 Å²	51.2	13%	0.126	27%	0.27	C	S	.	.			trans	-74.4	134.5	-175.4	-174.4	0	0	0	0	112.4	A360 V361 C366 M367	A360-S364 PolarHBondContact O-N 2.88Å; V361-S364 VanDerWaalsContact O-CB 3.26Å; V361-S364 WeakPolarHBondContact O-CB 3.31Å; V361-S364 PolarHBondContact O-N 3.22Å; S364-C366 PolarHBondContact O-N 3.48Å; S364-C366 VanDerWaalsContact O-N 3.16Å; S364-C366 WeakPolarHBondContact OG-CB 3.26Å; S364-C366 PolarHBondContact OG-N 2.98Å; S364-M367 WeakPolarHBondContact O-CB 3.3Å; S364-M367 PolarHBondContact O-N 2.82Å; S364-M367 VanDerWaalsContact O-N 3.14Å
365	D	90.8	Very high	86.5	Confident	116 Å²	116	56.1 Å²	56.1	62%	0.62	30%	0.295	S	S	*	.	H	α-helix	trans	-58.9	-23.8	168.7	-72.4	-35	0	0	0	112.5	M367 R368 N369	D365-M367 VanDerWaalsContact C-N 3.26Å; D365-M367 PolarHBondContact O-N 3.44Å; D365-R368 WeakPolarHBondContact O-CA 3.28Å; D365-R368 WeakPolarHBondContact O-CB 3.16Å; D365-R368 PolarHBondContact O-N 3.07Å; D365-N369 PolarHBondContact O-N 3.24Å
366	C	89.8	Confident	84.8	Confident	17 Å²	17	62.8 Å²	62.8	12%	0.115	32%	0.324	C	S	.	.	H	α-helix	trans	-66.8	-26.6	178.3	-67.4	0	0	0	0	113.1	W276 S364 R368 Q370 C371	W276-C366 HydrophobicContact CD2-CB 3.68Å; W276-C366 HydrophobicContact CE3-CB 3.83Å; W276-C366 HydrophobicContact CG-CB 4.2Å; W276-C366 HydrophobicContact CH2-CB 4.24Å; W276-C366 HydrophobicContact CZ2-CB 4.09Å; W276-C366 HydrophobicContact CZ3-CB 4.1Å; S364-C366 PolarHBondContact O-N 3.48Å; S364-C366 VanDerWaalsContact O-N 3.16Å; S364-C366 WeakPolarHBondContact OG-CB 3.26Å; S364-C366 PolarHBondContact OG-N 2.98Å; C366-R368 PolarHBondContact O-N 3.29Å; C366-Q370 WeakPolarHBondContact O-CA 3.44Å; C366-Q370 PolarHBondContact O-N 3.38Å; C366-C371 WeakPolarHBondContact CA-SG 3.41Å; C366-C371 HydrophobicContact CB-CB 3.66Å; C366-C371 WeakPolarHBondContact CB-SG 3.25Å; C366-C371 WeakPolarHBondContact SG-CB 3.48Å; C366-C371 CovalentContact SG-SG 2.04Å; C366-C371 PolarHBondContact SG-SG 3.5Å
367	M	90.3	Very high	83.5	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-67.2	-28.4	170.9	-72.2	-63.7	-68.8	0	0	112.3	L186 Y227 R258 S259 V361 M362 S364 D365	L186-M367 HydrophobicContact CB-CE 4.2Å; Y227-M367 HydrophobicContact CD1-CB 4.47Å; Y227-M367 HydrophobicContact CD1-CE 4.4Å; Y227-M367 HydrophobicContact CD2-CB 3.88Å; Y227-M367 HydrophobicContact CD2-CE 4.19Å; Y227-M367 HydrophobicContact CD2-CG 4.24Å; Y227-M367 HydrophobicContact CE1-CB 4.01Å; Y227-M367 HydrophobicContact CE2-CB 3.36Å; Y227-M367 HydrophobicContact CE2-CG 4.1Å; Y227-M367 HydrophobicContact CG-CB 4.41Å; Y227-M367 HydrophobicContact CG-CE 3.99Å; Y227-M367 VanDerWaalsContact CZ-CB 3.43Å; R258-M367 HydrophobicContact CB-CE 4.02Å; R258-M367 HydrophobicContact CB-SD 3.93Å; R258-M367 HydrophobicContact CG-CE 4.49Å; S259-M367 PolarHBondContact OG-SD 3.21Å; V361-M367 HydrophobicContact CG1-CG 3.89Å; V361-M367 HydrophobicContact CG1-SD 3.79Å; V361-M367 WeakPolarHBondContact O-CG 3.48Å; M362-M367 HydrophobicContact CE-CE 3.99Å; S364-M367 WeakPolarHBondContact O-CB 3.3Å; S364-M367 PolarHBondContact O-N 2.82Å; S364-M367 VanDerWaalsContact O-N 3.14Å; D365-M367 VanDerWaalsContact C-N 3.26Å; D365-M367 PolarHBondContact O-N 3.44Å
368	R	85	Confident	82.5	Confident	187 Å²	187	62.6 Å²	62.6	71%	0.706	32%	0.322	S	S	*	.	H	α-helix	trans	-84.5	-47.7	177.3	-170.6	176.8	-179.5	166.2	0.2	112	Y227 D365 C366	Y227-R368 WeakPolarHBondContact OH-CB 3.03Å; Y227-R368 PolarHBondContact OH-N 2.82Å; D365-R368 WeakPolarHBondContact O-CA 3.28Å; D365-R368 WeakPolarHBondContact O-CB 3.16Å; D365-R368 PolarHBondContact O-N 3.07Å; C366-R368 PolarHBondContact O-N 3.29Å
369	N	81.8	Confident	82.1	Confident	110 Å²	110	62.6 Å²	62.6	59%	0.588	32%	0.322	S	S	*	.	H	α-helix	trans	-98.8	-4.9	-166.4	-64.5	-26	0	0	0	114.1	D365	D365-N369 PolarHBondContact O-N 3.24Å
370	Q	80.2	Confident	81.8	Confident	115 Å²	115	60.6 Å²	60.6	54%	0.537	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	68.5	-174.9	-69.8	164.9	60.9	0	0	111.5	C366 A372	C366-Q370 WeakPolarHBondContact O-CA 3.44Å; C366-Q370 PolarHBondContact O-N 3.38Å; Q370-A372 PolarHBondContact O-N 3.3Å
371	C	81.7	Confident	81.6	Confident	49 Å²	49	60.3 Å²	60.3	33%	0.331	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-53.2	135	174.8	-64.5	0	0	0	0	110.2	C366	C366-C371 WeakPolarHBondContact CA-SG 3.41Å; C366-C371 HydrophobicContact CB-CB 3.66Å; C366-C371 WeakPolarHBondContact CB-SG 3.25Å; C366-C371 WeakPolarHBondContact SG-CB 3.48Å; C366-C371 CovalentContact SG-SG 2.04Å; C366-C371 PolarHBondContact SG-SG 3.5Å
372	A	68	Low	81.3	Confident	80 Å²	80	60.6 Å²	60.6	66%	0.661	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-58.9	142.7	174.4	0	0	0	0	0	110	Q370 D374	Q370-A372 PolarHBondContact O-N 3.3Å; A372-D374 PolarHBondContact O-N 3.5Å
373	E	67.4	Low	81	Confident	70 Å²	70	62.3 Å²	62.3	33%	0.327	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-60.2	130.3	161.5	-74.4	-173.5	-179.6	0	0	108.5	K273 L318 P319	K273-E373 HydrophobicContact CB-CB 4.28Å; K273-E373 HydrophobicContact CB-CG 4.27Å; K273-E373 WeakPolarHBondContact CB-OE2 3.24Å; K273-E373 WeakPolarHBondContact CD-OE2 3.29Å; L318-E373 VanDerWaalsContact C-OE1 3.3Å; P319-E373 HydrophobicContact CB-CG 4.25Å
374	D	67.1	Low	80.6	Confident	47 Å²	47	56 Å²	56	25%	0.251	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-133.8	134.5	171.9	65.3	-4.6	0	0	0	110.5	K273 S275 A372 K376	K273-D374 PolarHBondContact O-N 2.84Å; K273-D374 VanDerWaalsContact O-O 3.11Å; S275-D374 WeakPolarHBondContact CB-OD1 3.25Å; S275-D374 PolarHBondContact OG-OD1 3.33Å; A372-D374 PolarHBondContact O-N 3.5Å; D374-K376 HydrophobicContact CB-CB 4.3Å; D374-K376 HydrophobicContact CB-CD 4.31Å; D374-K376 HydrophobicContact CB-CG 4.04Å; D374-K376 PolarHBondContact O-N 2.61Å; D374-K376 WeakPolarHBondContact OD2-CD 3.49Å
375	D	63.2	Low	80	Confident	104 Å²	104	56.2 Å²	56.2	56%	0.556	29%	0.294	S	S	*	.	S	Bend	trans	-77.8	31.8	173.3	-161.1	-14	0	0	0	111.4	Y377 R540	D375-Y377 VanDerWaalsContact C-N 3.29Å; D375-Y377 HydrophobicContact CB-CE1 4.17Å; D375-Y377 WeakPolarHBondContact OD1-CE1 3.16Å; D375-Y377 WeakPolarHBondContact OD1-CE2 3.41Å; D375-Y377 PolarHBondContact OD1-OH 2.99Å; D375-R540 IonicContact OD1-NH2 3.84Å; D375-R540 PolarHBondContact OD1-NH2 3.1Å
376	K	62.3	Low	79.7	Confident	157 Å²	157	55.1 Å²	55.1	68%	0.683	29%	0.288	S	S	*	.			trans	-92.7	13.3	-176.7	-67.6	-174	-168.5	166.3	0	112.7	D374 G378	D374-K376 HydrophobicContact CB-CB 4.3Å; D374-K376 HydrophobicContact CB-CD 4.31Å; D374-K376 HydrophobicContact CB-CG 4.04Å; D374-K376 PolarHBondContact O-N 2.61Å; D374-K376 WeakPolarHBondContact OD2-CD 3.49Å; K376-G378 PolarHBondContact O-N 3.01Å
377	Y	67.2	Low	79.6	Confident	7 Å²	7	59.6 Å²	59.6	3%	0.027	31%	0.305	C	S	.	.			trans	-65.1	126.9	171.3	41.6	-84.4	0	0	0	109	L272 L278 H295 D375 R540	L272-Y377 WeakPolarHBondContact O-CD1 3.16Å; L272-Y377 WeakPolarHBondContact O-CE1 3.47Å; L272-Y377 PolarHBondContact O-OH 2.81Å; L278-Y377 HydrophobicContact CD2-CG 4.48Å; H295-Y377 AromaticContact CE1-CE2 3.75Å; D375-Y377 VanDerWaalsContact C-N 3.29Å; D375-Y377 HydrophobicContact CB-CE1 4.17Å; D375-Y377 WeakPolarHBondContact OD1-CE1 3.16Å; D375-Y377 WeakPolarHBondContact OD1-CE2 3.41Å; D375-Y377 PolarHBondContact OD1-OH 2.99Å; Y377-R540 VanDerWaalsContact CE2-NH2 3.29Å; Y377-R540 PolarHBondContact O-NE 3.03Å; Y377-R540 VanDerWaalsContact O-NE 3.13Å
378	G	75.9	Confident	79.5	Confident	10 Å²	10	61 Å²	61	10%	0.103	32%	0.315	C	S	.	.			trans	-87.9	-148.5	-179.9	0	0	0	0	0	112	K376 Y391	K376-G378 PolarHBondContact O-N 3.01Å; G378-Y391 CarbonylContact C-O 3.49Å; G378-Y391 WeakPolarHBondContact CA-O 3.16Å
379	V	88.2	Confident	79.8	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	136.3	174.3	176.4	0	0	0	0	108.5	F381 S390 Y391 S396 R540 Y543	V379-F381 HydrophobicContact CG1-CD1 3.92Å; V379-F381 HydrophobicContact CG1-CE1 4.02Å; V379-S390 VanDerWaalsContact O-CA 3.23Å; V379-S390 WeakPolarHBondContact O-CA 3.36Å; V379-Y391 HydrophobicContact CB-CD2 4.13Å; V379-Y391 HydrophobicContact CB-CE1 4.05Å; V379-Y391 HydrophobicContact CB-CE2 3.63Å; V379-Y391 HydrophobicContact CG1-CE1 3.97Å; V379-Y391 HydrophobicContact CG1-CE2 4.22Å; V379-Y391 HydrophobicContact CG2-CD2 4.4Å; V379-Y391 HydrophobicContact CG2-CE2 3.69Å; V379-Y391 PolarHBondContact N-O 2.93Å; V379-Y391 PolarHBondContact O-N 3.13Å; V379-Y391 VanDerWaalsContact O-N 3.08Å; V379-S396 WeakPolarHBondContact CG2-OG 3.47Å; V379-R540 HydrophobicContact CG2-CB 4.28Å; V379-Y543 HydrophobicContact CG1-CD1 3.77Å; V379-Y543 HydrophobicContact CG1-CD2 4.47Å; V379-Y543 HydrophobicContact CG1-CG 3.65Å
380	F	89.8	Confident	80.1	Confident	6 Å²	6	50.8 Å²	50.8	3%	0.026	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	144.4	168.9	61.5	-87.5	0	0	0	111.2	L278 L282 T290 V292 H295 V389	L278-F380 HydrophobicContact CD1-CD1 4.4Å; L278-F380 HydrophobicContact CD1-CD2 4.38Å; L278-F380 HydrophobicContact CD1-CE1 4.38Å; L278-F380 HydrophobicContact CD1-CE2 4.4Å; L278-F380 HydrophobicContact CD1-CG 4.38Å; L278-F380 HydrophobicContact CD1-CZ 4.37Å; L278-F380 HydrophobicContact CD2-CD1 3.57Å; L278-F380 HydrophobicContact CD2-CE1 3.65Å; L278-F380 HydrophobicContact CD2-CG 4.23Å; L278-F380 HydrophobicContact CD2-CZ 4.4Å; L278-F380 HydrophobicContact CG-CD1 4.5Å; L282-F380 HydrophobicContact CD1-CB 3.9Å; L282-F380 HydrophobicContact CD2-CB 4.05Å; T290-F380 HydrophobicContact CG2-CD2 4.08Å; T290-F380 WeakPolarHBondContact OG1-CD2 3.38Å; T290-F380 WeakPolarHBondContact OG1-CE2 3.26Å; V292-F380 HydrophobicContact CB-CD1 4.26Å; V292-F380 HydrophobicContact CB-CE1 4.11Å; V292-F380 HydrophobicContact CB-CE2 4.41Å; V292-F380 HydrophobicContact CB-CZ 4.2Å; V292-F380 WeakPolarHBondContact CB-O 3.28Å; V292-F380 HydrophobicContact CG2-CD1 4.36Å; V292-F380 HydrophobicContact CG2-CE1 3.95Å; V292-F380 HydrophobicContact CG2-CZ 4.29Å; V292-F380 PolarHBondContact N-O 3.12Å; H295-F380 HydrophobicContact CB-CZ 4.02Å; H295-F380 AromaticContact ND1-CE1 3.92Å; H295-F380 AromaticContact ND1-CZ 3.6Å; F380-V389 VanDerWaalsContact CA-O 3.27Å; F380-V389 WeakPolarHBondContact CA-O 3.48Å
381	F	90.3	Very high	80.6	Confident	1 Å²	1	47.3 Å²	47.3	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	154.9	172.2	55.7	-84.8	0	0	0	109.6	T290 V379 M383 V389 Y391 Y543 F547 F591	T290-F381 CarbonylContact O-C 3.56Å; T290-F381 VanDerWaalsContact O-CA 3.24Å; T290-F381 WeakPolarHBondContact O-CA 3.49Å; V379-F381 HydrophobicContact CG1-CD1 3.92Å; V379-F381 HydrophobicContact CG1-CE1 4.02Å; F381-M383 HydrophobicContact CD2-CG 4.23Å; F381-M383 HydrophobicContact CD2-SD 4Å; F381-M383 HydrophobicContact CE2-CG 3.93Å; F381-M383 HydrophobicContact CE2-SD 3.61Å; F381-V389 HydrophobicContact CD1-CB 4.45Å; F381-V389 HydrophobicContact CD2-CB 4.3Å; F381-V389 HydrophobicContact CE1-CB 3.9Å; F381-V389 HydrophobicContact CE1-CG1 3.89Å; F381-V389 HydrophobicContact CE2-CB 3.73Å; F381-V389 HydrophobicContact CE2-CG1 4.35Å; F381-V389 HydrophobicContact CE2-CG2 3.81Å; F381-V389 HydrophobicContact CZ-CB 3.5Å; F381-V389 HydrophobicContact CZ-CG1 3.63Å; F381-V389 HydrophobicContact CZ-CG2 3.92Å; F381-V389 PolarHBondContact N-O 3.08Å; F381-V389 VanDerWaalsContact N-O 3.1Å; F381-V389 PolarHBondContact O-N 3.39Å; F381-Y391 HydrophobicContact CE1-CE1 4.27Å; F381-Y543 HydrophobicContact CB-CE2 3.97Å; F381-Y543 HydrophobicContact CD1-CD1 4.32Å; F381-Y543 AromaticContact CD1-CD2 3.34Å; F381-Y543 HydrophobicContact CD1-CD2 3.34Å; F381-Y543 HydrophobicContact CD1-CE1 4.27Å; F381-Y543 AromaticContact CD1-CE2 3.25Å; F381-Y543 HydrophobicContact CD1-CE2 3.25Å; F381-Y543 AromaticContact CD1-CG 3.9Å; F381-Y543 HydrophobicContact CD1-CG 3.9Å; F381-Y543 AromaticContact CD1-CZ 3.75Å; F381-Y543 HydrophobicContact CD2-CD2 4.48Å; F381-Y543 AromaticContact CD2-CE2 3.88Å; F381-Y543 HydrophobicContact CD2-CE2 3.88Å; F381-Y543 AromaticContact CE1-CD2 3.26Å; F381-Y543 HydrophobicContact CE1-CD2 3.26Å; F381-Y543 AromaticContact CE1-CE2 3.61Å; F381-Y543 HydrophobicContact CE1-CE2 3.61Å; F381-Y543 AromaticContact CE1-CG 3.91Å; F381-Y543 HydrophobicContact CE1-CG 3.91Å; F381-Y543 HydrophobicContact CE2-CD2 4.41Å; F381-Y543 HydrophobicContact CE2-CE2 4.18Å; F381-Y543 AromaticContact CG-CD2 3.99Å; F381-Y543 HydrophobicContact CG-CD2 3.99Å; F381-Y543 AromaticContact CG-CE2 3.41Å; F381-Y543 HydrophobicContact CG-CE2 3.41Å; F381-Y543 VanDerWaalsContact CG-CE2 3.41Å; F381-Y543 AromaticContact CG-CZ 3.8Å; F381-Y543 AromaticContact CZ-CD2 3.84Å; F381-Y543 HydrophobicContact CZ-CD2 3.84Å; F381-Y543 HydrophobicContact CZ-CE2 4.05Å; F381-F547 AromaticContact CE1-CE2 3.84Å; F381-F547 HydrophobicContact CE1-CE2 3.84Å; F381-F547 HydrophobicContact CE1-CZ 4.41Å; F381-F547 HydrophobicContact CZ-CD2 4.08Å; F381-F547 AromaticContact CZ-CE2 3.43Å; F381-F547 HydrophobicContact CZ-CE2 3.43Å; F381-F547 VanDerWaalsContact CZ-CE2 3.43Å; F381-F547 AromaticContact CZ-CZ 3.68Å; F381-F547 HydrophobicContact CZ-CZ 3.68Å; F381-F591 HydrophobicContact CD2-CE1 4.29Å; F381-F591 AromaticContact CE2-CE1 3.85Å; F381-F591 HydrophobicContact CE2-CE1 3.85Å; F381-F591 HydrophobicContact CE2-CZ 4.21Å; F381-F591 HydrophobicContact CZ-CE1 4.45Å
382	D	89.1	Confident	80.9	Confident	6 Å²	6	47.2 Å²	47.2	3%	0.032	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	156	165.3	73.8	83.6	0	0	0	111.8	H289 T290 L384 G385 F387 Y594	H289-D382 WeakPolarHBondContact CA-OD2 3.23Å; T290-D382 PolarHBondContact N-OD2 2.78Å; T290-D382 PolarHBondContact O-N 3.27Å; D382-L384 PolarHBondContact OD1-N 2.82Å; D382-G385 WeakPolarHBondContact OD1-CA 3.48Å; D382-G385 PolarHBondContact OD1-N 2.89Å; D382-F387 WeakPolarHBondContact CA-O 3.48Å; D382-Y594 WeakPolarHBondContact OD1-CE1 3.46Å; D382-Y594 PolarHBondContact OD1-OH 2.98Å
383	M	87.1	Confident	81.8	Confident	45 Å²	45	45.8 Å²	45.8	22%	0.222	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	96.5	172.6	-71.2	-67	-84.5	0	0	109	F381 G385 L386 F387 V389 F591	F381-M383 HydrophobicContact CD2-CG 4.23Å; F381-M383 HydrophobicContact CD2-SD 4Å; F381-M383 HydrophobicContact CE2-CG 3.93Å; F381-M383 HydrophobicContact CE2-SD 3.61Å; M383-G385 PolarHBondContact O-N 3.5Å; M383-L386 WeakPolarHBondContact O-CB 3.29Å; M383-L386 PolarHBondContact O-N 2.89Å; M383-F387 HydrophobicContact CB-CD1 4.36Å; M383-F387 HydrophobicContact CB-CD2 4.33Å; M383-F387 HydrophobicContact CB-CE1 3.9Å; M383-F387 HydrophobicContact CB-CE2 3.87Å; M383-F387 HydrophobicContact CB-CZ 3.63Å; M383-F387 HydrophobicContact CG-CD2 4.45Å; M383-F387 HydrophobicContact CG-CE2 3.74Å; M383-F387 HydrophobicContact CG-CZ 3.81Å; M383-F387 PolarHBondContact N-O 2.92Å; M383-V389 HydrophobicContact CG-CG2 4.15Å; M383-F591 HydrophobicContact CE-CE1 4.17Å; M383-F591 HydrophobicContact CE-CE2 3.69Å; M383-F591 HydrophobicContact CE-CZ 3.36Å; M383-F591 HydrophobicContact SD-CE1 3.56Å; M383-F591 VanDerWaalsContact SD-CE1 3.56Å; M383-F591 HydrophobicContact SD-CE2 4.19Å; M383-F591 HydrophobicContact SD-CZ 3.35Å; M383-F591 WeakPolarHBondContact SD-CZ 3.47Å
384	L	85	Confident	82.9	Confident	30 Å²	30	46.3 Å²	46.3	16%	0.157	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	29.4	179.4	-56.4	176.7	0	0	0	113.4	C54 F57 D382 L386 V590 Y594	C54-L384 HydrophobicContact CB-CD2 4.36Å; F57-L384 HydrophobicContact CB-CB 3.99Å; F57-L384 HydrophobicContact CD2-CD1 4.08Å; F57-L384 HydrophobicContact CG-CB 4.26Å; D382-L384 PolarHBondContact OD1-N 2.82Å; L384-L386 HydrophobicContact CB-CD1 4.38Å; L384-L386 HydrophobicContact CB-CG 4.32Å; L384-L386 PolarHBondContact O-N 2.76Å; L384-V590 HydrophobicContact CD1-CG1 4.07Å; L384-V590 HydrophobicContact CD2-CG1 3.92Å; L384-V590 HydrophobicContact CG-CG1 4.16Å; L384-Y594 HydrophobicContact CD2-CD1 4.31Å; L384-Y594 HydrophobicContact CD2-CD2 3.59Å; L384-Y594 HydrophobicContact CD2-CE2 4.06Å; L384-Y594 HydrophobicContact CD2-CG 3.73Å
385	G	79.4	Confident	84.1	Confident	21 Å²	21	48 Å²	48	22%	0.216	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	11.9	-173.9	0	0	0	0	0	115.3	P288 D382 M383	P288-G385 WeakPolarHBondContact O-CA 3.33Å; D382-G385 WeakPolarHBondContact OD1-CA 3.48Å; D382-G385 PolarHBondContact OD1-N 2.89Å; M383-G385 PolarHBondContact O-N 3.5Å
386	L	84.7	Confident	85.5	Confident	93 Å²	93	43 Å²	43	49%	0.487	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-40.6	-175.9	-62.3	175.9	0	0	0	112.9	F57 M383 L384	F57-L386 HydrophobicContact CD1-CD1 4.5Å; F57-L386 HydrophobicContact CD1-CD2 4.02Å; F57-L386 HydrophobicContact CD1-CG 4.43Å; F57-L386 HydrophobicContact CE1-CD1 4.24Å; F57-L386 HydrophobicContact CE1-CD2 3.96Å; M383-L386 WeakPolarHBondContact O-CB 3.29Å; M383-L386 PolarHBondContact O-N 2.89Å; L384-L386 HydrophobicContact CB-CD1 4.38Å; L384-L386 HydrophobicContact CB-CG 4.32Å; L384-L386 PolarHBondContact O-N 2.76Å
387	F	87.8	Confident	87	Confident	111 Å²	111	38.5 Å²	38.5	49%	0.487	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	160.7	178.3	60.9	-89.5	0	0	0	109.9	D382 M383 V389	D382-F387 WeakPolarHBondContact CA-O 3.48Å; M383-F387 HydrophobicContact CB-CD1 4.36Å; M383-F387 HydrophobicContact CB-CD2 4.33Å; M383-F387 HydrophobicContact CB-CE1 3.9Å; M383-F387 HydrophobicContact CB-CE2 3.87Å; M383-F387 HydrophobicContact CB-CZ 3.63Å; M383-F387 HydrophobicContact CG-CD2 4.45Å; M383-F387 HydrophobicContact CG-CE2 3.74Å; M383-F387 HydrophobicContact CG-CZ 3.81Å; M383-F387 PolarHBondContact N-O 2.92Å; F387-V389 HydrophobicContact CD2-CG2 4.22Å; F387-V389 HydrophobicContact CE2-CG2 3.85Å
388	T	89.2	Confident	88.4	Confident	32 Å²	32	44.7 Å²	44.7	20%	0.196	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	147.8	175.8	52.9	0	0	0	0	111.4	L282 P288 T290	L282-T388 HydrophobicContact CB-CG2 4.48Å; L282-T388 HydrophobicContact CD2-CG2 3.67Å; L282-T388 PolarHBondContact O-OG1 2.83Å; P288-T388 HydrophobicContact CB-CG2 3.16Å; P288-T388 HydrophobicContact CG-CG2 3.6Å; T290-T388 HydrophobicContact CG2-CG2 4.48Å
389	V	90.2	Very high	89.3	Confident	34 Å²	34	47 Å²	47	21%	0.206	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	129.5	164.2	179.4	0	0	0	0	107.1	F380 F381 M383 F387 Y391	F380-V389 VanDerWaalsContact CA-O 3.27Å; F380-V389 WeakPolarHBondContact CA-O 3.48Å; F381-V389 HydrophobicContact CD1-CB 4.45Å; F381-V389 HydrophobicContact CD2-CB 4.3Å; F381-V389 HydrophobicContact CE1-CB 3.9Å; F381-V389 HydrophobicContact CE1-CG1 3.89Å; F381-V389 HydrophobicContact CE2-CB 3.73Å; F381-V389 HydrophobicContact CE2-CG1 4.35Å; F381-V389 HydrophobicContact CE2-CG2 3.81Å; F381-V389 HydrophobicContact CZ-CB 3.5Å; F381-V389 HydrophobicContact CZ-CG1 3.63Å; F381-V389 HydrophobicContact CZ-CG2 3.92Å; F381-V389 PolarHBondContact N-O 3.08Å; F381-V389 VanDerWaalsContact N-O 3.1Å; F381-V389 PolarHBondContact O-N 3.39Å; M383-V389 HydrophobicContact CG-CG2 4.15Å; F387-V389 HydrophobicContact CD2-CG2 4.22Å; F387-V389 HydrophobicContact CE2-CG2 3.85Å; V389-Y391 HydrophobicContact CG1-CD1 4.03Å; V389-Y391 HydrophobicContact CG1-CE1 4.01Å
390	S	89.7	Confident	89.7	Confident	47 Å²	47	47 Å²	47	33%	0.329	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	143.8	172.9	68.9	0	0	0	0	112.9	V379	V379-S390 VanDerWaalsContact O-CA 3.23Å; V379-S390 WeakPolarHBondContact O-CA 3.36Å
391	Y	89.7	Confident	90	Very high	42 Å²	42	50.6 Å²	50.6	17%	0.165	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	154.1	179	52	-89.8	0	0	0	110.2	G378 V379 F381 V389 I395 Y543	G378-Y391 CarbonylContact C-O 3.49Å; G378-Y391 WeakPolarHBondContact CA-O 3.16Å; V379-Y391 HydrophobicContact CB-CD2 4.13Å; V379-Y391 HydrophobicContact CB-CE1 4.05Å; V379-Y391 HydrophobicContact CB-CE2 3.63Å; V379-Y391 HydrophobicContact CG1-CE1 3.97Å; V379-Y391 HydrophobicContact CG1-CE2 4.22Å; V379-Y391 HydrophobicContact CG2-CD2 4.4Å; V379-Y391 HydrophobicContact CG2-CE2 3.69Å; V379-Y391 PolarHBondContact N-O 2.93Å; V379-Y391 PolarHBondContact O-N 3.13Å; V379-Y391 VanDerWaalsContact O-N 3.08Å; F381-Y391 HydrophobicContact CE1-CE1 4.27Å; V389-Y391 HydrophobicContact CG1-CD1 4.03Å; V389-Y391 HydrophobicContact CG1-CE1 4.01Å; Y391-I395 HydrophobicContact CD2-CB 4.22Å; Y391-I395 HydrophobicContact CD2-CG2 3.97Å; Y391-I395 HydrophobicContact CG-CG2 4.29Å; Y391-Y543 VanDerWaalsContact OH-CB 3.29Å; Y391-Y543 WeakPolarHBondContact OH-CB 3.29Å
392	S	87.7	Confident	90.3	Very high	48 Å²	48	57.4 Å²	57.4	34%	0.336	31%	0.312	S	S	.	.			trans	-64.5	158.8	-175.1	70.7	0	0	0	0	113.3	S394 I395 S396	S392-S394 PolarHBondContact O-N 3.06Å; S392-I395 PolarHBondContact O-N 3.26Å; S392-I395 VanDerWaalsContact O-N 3.16Å; S392-I395 WeakPolarHBondContact OG-CG1 3.27Å; S392-I395 PolarHBondContact OG-N 3.28Å; S392-S396 PolarHBondContact O-N 3.36Å
393	L	86.9	Confident	90.7	Very high	50 Å²	50	57.4 Å²	57.4	26%	0.262	31%	0.312	S	S	.	.	H	α-helix	trans	-57.5	-38.4	174.9	-179.2	61.8	0	0	0	111.7	I395 S396 I397	L393-I395 PolarHBondContact O-N 2.83Å; L393-S396 VanDerWaalsContact O-CB 3.26Å; L393-S396 WeakPolarHBondContact O-CB 3.48Å; L393-S396 PolarHBondContact O-N 3.3Å; L393-S396 VanDerWaalsContact O-N 3.16Å; L393-I397 HydrophobicContact CD1-CD1 4.37Å; L393-I397 HydrophobicContact CD1-CG1 4.42Å; L393-I397 HydrophobicContact CG-CD1 4.06Å; L393-I397 WeakPolarHBondContact O-CG1 3.31Å; L393-I397 PolarHBondContact O-N 2.85Å
394	S	90.1	Very high	91.2	Very high	81 Å²	81	56.8 Å²	56.8	57%	0.566	31%	0.31	S	S	*	.	H	α-helix	trans	-61.5	-44.4	176.6	-50	0	0	0	0	112.2	S392 S396 I397 M398	S392-S394 PolarHBondContact O-N 3.06Å; S394-S396 VanDerWaalsContact C-N 3.31Å; S394-S396 PolarHBondContact O-N 3.02Å; S394-I397 PolarHBondContact O-N 3.29Å; S394-M398 VanDerWaalsContact O-CG 3.29Å; S394-M398 WeakPolarHBondContact O-CG 3.39Å; S394-M398 PolarHBondContact O-N 3.21Å
395	I	92.4	Very high	91.8	Very high	81 Å²	81	58 Å²	58	42%	0.415	32%	0.323	S	S	.	.	H	α-helix	trans	-63.4	-41.2	174.7	-67.1	168.2	0	0	0	109.9	Y391 S392 L393 I397 M398 V399	Y391-I395 HydrophobicContact CD2-CB 4.22Å; Y391-I395 HydrophobicContact CD2-CG2 3.97Å; Y391-I395 HydrophobicContact CG-CG2 4.29Å; S392-I395 PolarHBondContact O-N 3.26Å; S392-I395 VanDerWaalsContact O-N 3.16Å; S392-I395 WeakPolarHBondContact OG-CG1 3.27Å; S392-I395 PolarHBondContact OG-N 3.28Å; L393-I395 PolarHBondContact O-N 2.83Å; I395-I397 PolarHBondContact O-N 3.34Å; I395-M398 PolarHBondContact O-N 3.4Å; I395-V399 HydrophobicContact CG2-CG2 4.05Å; I395-V399 WeakPolarHBondContact O-CB 3.46Å; I395-V399 VanDerWaalsContact O-CG2 3.29Å; I395-V399 WeakPolarHBondContact O-CG2 3.21Å; I395-V399 PolarHBondContact O-N 3.41Å
396	S	93	Very high	92.6	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.007	33%	0.325	C	S	.	.	H	α-helix	trans	-55.9	-51	175.4	-165.7	0	0	0	0	111.6	V379 S392 L393 S394 M398 V399 N400	V379-S396 WeakPolarHBondContact CG2-OG 3.47Å; S392-S396 PolarHBondContact O-N 3.36Å; L393-S396 VanDerWaalsContact O-CB 3.26Å; L393-S396 WeakPolarHBondContact O-CB 3.48Å; L393-S396 PolarHBondContact O-N 3.3Å; L393-S396 VanDerWaalsContact O-N 3.16Å; S394-S396 VanDerWaalsContact C-N 3.31Å; S394-S396 PolarHBondContact O-N 3.02Å; S396-M398 VanDerWaalsContact C-N 3.35Å; S396-M398 PolarHBondContact O-N 3.46Å; S396-V399 PolarHBondContact O-N 2.92Å; S396-N400 VanDerWaalsContact O-CB 3.27Å; S396-N400 WeakPolarHBondContact O-CB 3.49Å; S396-N400 PolarHBondContact O-N 3.3Å; S396-N400 PolarHBondContact O-ND2 3.2Å; S396-N400 PolarHBondContact O-OD1 2.81Å; S396-N400 VanDerWaalsContact O-OD1 3.12Å
397	I	94.3	Very high	93.1	Very high	61 Å²	61	54 Å²	54	31%	0.313	30%	0.302	S	S	.	.	H	α-helix	trans	-61	-44.8	178.3	-65.8	166.4	0	0	0	110.5	L393 S394 I395 N400 V401 T535	L393-I397 HydrophobicContact CD1-CD1 4.37Å; L393-I397 HydrophobicContact CD1-CG1 4.42Å; L393-I397 HydrophobicContact CG-CD1 4.06Å; L393-I397 WeakPolarHBondContact O-CG1 3.31Å; L393-I397 PolarHBondContact O-N 2.85Å; S394-I397 PolarHBondContact O-N 3.29Å; I395-I397 PolarHBondContact O-N 3.34Å; I397-N400 PolarHBondContact O-N 2.93Å; I397-V401 HydrophobicContact CG2-CG2 4.28Å; I397-V401 WeakPolarHBondContact O-CB 3.41Å; I397-V401 VanDerWaalsContact O-CG2 3.25Å; I397-V401 WeakPolarHBondContact O-CG2 3.15Å; I397-V401 PolarHBondContact O-N 3.06Å; I397-T535 HydrophobicContact CG1-CG2 4.14Å; I397-T535 HydrophobicContact CG2-CG2 4.35Å
398	M	95.2	Very high	93.4	Very high	137 Å²	137	50.6 Å²	50.6	68%	0.675	30%	0.295	S	S	*	.	H	α-helix	trans	-60.1	-47.9	178	-73	175.4	67	0	0	112.2	S394 I395 S396 V401 F402	S394-M398 VanDerWaalsContact O-CG 3.29Å; S394-M398 WeakPolarHBondContact O-CG 3.39Å; S394-M398 PolarHBondContact O-N 3.21Å; I395-M398 PolarHBondContact O-N 3.4Å; S396-M398 VanDerWaalsContact C-N 3.35Å; S396-M398 PolarHBondContact O-N 3.46Å; M398-V401 PolarHBondContact O-N 3.35Å; M398-F402 WeakPolarHBondContact O-CB 3.4Å; M398-F402 PolarHBondContact O-N 3.09Å
399	V	95.4	Very high	93.6	Very high	58 Å²	58	51.2 Å²	51.2	35%	0.352	30%	0.303	S	S	.	.	H	α-helix	trans	-64.9	-44.3	178.5	174.9	0	0	0	0	110.2	I395 S396 V401 F402 I403 T546	I395-V399 HydrophobicContact CG2-CG2 4.05Å; I395-V399 WeakPolarHBondContact O-CB 3.46Å; I395-V399 VanDerWaalsContact O-CG2 3.29Å; I395-V399 WeakPolarHBondContact O-CG2 3.21Å; I395-V399 PolarHBondContact O-N 3.41Å; S396-V399 PolarHBondContact O-N 2.92Å; V399-V401 PolarHBondContact O-N 2.82Å; V399-F402 PolarHBondContact O-N 2.9Å; V399-I403 HydrophobicContact CG1-CG1 4.17Å; V399-I403 WeakPolarHBondContact O-CB 3.43Å; V399-I403 VanDerWaalsContact O-CG1 3.25Å; V399-I403 WeakPolarHBondContact O-CG1 3.42Å; V399-I403 PolarHBondContact O-N 3.07Å; V399-T546 HydrophobicContact CG1-CG2 3.68Å
400	N	96.7	Very high	93.6	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-60.6	-47.6	178.6	-66.9	-1.7	0	0	0	111.1	S396 I397 F402 I403 I404 L531 T535 S542 T546	S396-N400 VanDerWaalsContact O-CB 3.27Å; S396-N400 WeakPolarHBondContact O-CB 3.49Å; S396-N400 PolarHBondContact O-N 3.3Å; S396-N400 PolarHBondContact O-ND2 3.2Å; S396-N400 PolarHBondContact O-OD1 2.81Å; S396-N400 VanDerWaalsContact O-OD1 3.12Å; I397-N400 PolarHBondContact O-N 2.93Å; N400-F402 VanDerWaalsContact C-N 3.34Å; N400-F402 PolarHBondContact O-N 2.86Å; N400-I403 PolarHBondContact O-N 3.19Å; N400-I404 WeakPolarHBondContact O-CB 3.25Å; N400-I404 WeakPolarHBondContact O-CD1 3.4Å; N400-I404 WeakPolarHBondContact O-CG1 3.31Å; N400-I404 PolarHBondContact O-N 3.1Å; N400-L531 HydrophobicContact CB-CD1 4.2Å; N400-L531 HydrophobicContact CB-CD2 4.24Å; N400-L531 HydrophobicContact CB-CG 4.22Å; N400-T535 HydrophobicContact CB-CG2 4.18Å; N400-T535 PolarHBondContact ND2-OG1 3.37Å; N400-S542 PolarHBondContact ND2-OG 3.24Å; N400-T546 WeakPolarHBondContact OD1-CG2 3.3Å; N400-T546 PolarHBondContact OD1-OG1 3.39Å
401	V	96.8	Very high	93.7	Very high	82 Å²	82	50.9 Å²	50.9	50%	0.497	29%	0.294	S	S	.	.	H	α-helix	trans	-61.7	-42.4	176.4	170.6	0	0	0	0	111.1	I397 M398 V399 I404 A405	I397-V401 HydrophobicContact CG2-CG2 4.28Å; I397-V401 WeakPolarHBondContact O-CB 3.41Å; I397-V401 VanDerWaalsContact O-CG2 3.25Å; I397-V401 WeakPolarHBondContact O-CG2 3.15Å; I397-V401 PolarHBondContact O-N 3.06Å; M398-V401 PolarHBondContact O-N 3.35Å; V399-V401 PolarHBondContact O-N 2.82Å; V401-I404 PolarHBondContact O-N 3.38Å; V401-A405 VanDerWaalsContact O-CB 3.26Å; V401-A405 WeakPolarHBondContact O-CB 3.01Å; V401-A405 PolarHBondContact O-N 3.43Å
402	F	97.1	Very high	93.8	Very high	144 Å²	144	54.1 Å²	54.1	63%	0.632	31%	0.314	S	S	*	.	H	α-helix	trans	-61.4	-46.6	176	177.3	-96	0	0	0	112	M398 V399 N400 A405 A406	M398-F402 WeakPolarHBondContact O-CB 3.4Å; M398-F402 PolarHBondContact O-N 3.09Å; V399-F402 PolarHBondContact O-N 2.9Å; N400-F402 VanDerWaalsContact C-N 3.34Å; N400-F402 PolarHBondContact O-N 2.86Å; F402-A405 PolarHBondContact O-N 3.28Å; F402-A406 WeakPolarHBondContact O-CB 3.34Å; F402-A406 PolarHBondContact O-N 3.31Å
403	I	97.1	Very high	93.7	Very high	6 Å²	6	56.1 Å²	56.1	3%	0.031	32%	0.32	C	S	.	.	H	α-helix	trans	-66.1	-39.8	179	-66.7	-65	0	0	0	111.4	V399 N400 T407 L531 T546 L549 L550 L553	V399-I403 HydrophobicContact CG1-CG1 4.17Å; V399-I403 WeakPolarHBondContact O-CB 3.43Å; V399-I403 VanDerWaalsContact O-CG1 3.25Å; V399-I403 WeakPolarHBondContact O-CG1 3.42Å; V399-I403 PolarHBondContact O-N 3.07Å; N400-I403 PolarHBondContact O-N 3.19Å; I403-T407 VanDerWaalsContact O-CB 3.29Å; I403-T407 WeakPolarHBondContact O-CB 3.48Å; I403-T407 PolarHBondContact O-N 3.47Å; I403-T407 PolarHBondContact O-OG1 3.41Å; I403-L531 HydrophobicContact CG2-CD2 4.26Å; I403-T546 HydrophobicContact CG1-CG2 4.16Å; I403-L549 HydrophobicContact CG2-CB 3.57Å; I403-L549 HydrophobicContact CG2-CD1 3.99Å; I403-L549 HydrophobicContact CG2-CG 4.39Å; I403-L550 HydrophobicContact CD1-CB 4.37Å; I403-L550 HydrophobicContact CD1-CD1 3.97Å; I403-L553 HydrophobicContact CD1-CD1 4.07Å; I403-L553 HydrophobicContact CG2-CD1 4.05Å
404	I	97.5	Very high	93.7	Very high	33 Å²	33	53.8 Å²	53.8	17%	0.169	31%	0.307	C	S	.	.	H	α-helix	trans	-62.6	-46.2	173.3	-69.1	162.9	0	0	0	110.3	N400 V401 T407 A408 A528 L531 L532	N400-I404 WeakPolarHBondContact O-CB 3.25Å; N400-I404 WeakPolarHBondContact O-CD1 3.4Å; N400-I404 WeakPolarHBondContact O-CG1 3.31Å; N400-I404 PolarHBondContact O-N 3.1Å; V401-I404 PolarHBondContact O-N 3.38Å; I404-T407 WeakPolarHBondContact O-CB 3.27Å; I404-T407 PolarHBondContact O-N 3.07Å; I404-A408 WeakPolarHBondContact O-CB 3.42Å; I404-A408 PolarHBondContact O-N 3.15Å; I404-A528 HydrophobicContact CG1-CB 4.32Å; I404-L531 HydrophobicContact CD1-CB 4.5Å; I404-L531 HydrophobicContact CD1-CD2 4.32Å; I404-L531 HydrophobicContact CD1-CG 4.09Å; I404-L531 HydrophobicContact CG1-CD2 4Å; I404-L531 HydrophobicContact CG1-CG 4.24Å; I404-L532 HydrophobicContact CD1-CB 3.95Å; I404-L532 HydrophobicContact CD1-CD1 4.1Å
405	A	96.8	Very high	93.5	Very high	54 Å²	54	50.9 Å²	50.9	45%	0.446	29%	0.285	S	S	.	.	H	α-helix	trans	-65.1	-42.3	178.8	0	0	0	0	0	112.2	V401 F402 T407 A408 A409	V401-A405 VanDerWaalsContact O-CB 3.26Å; V401-A405 WeakPolarHBondContact O-CB 3.01Å; V401-A405 PolarHBondContact O-N 3.43Å; F402-A405 PolarHBondContact O-N 3.28Å; A405-T407 VanDerWaalsContact C-N 3.34Å; A405-T407 PolarHBondContact O-N 3.05Å; A405-A408 PolarHBondContact O-N 3.2Å; A405-A409 WeakPolarHBondContact O-CB 3.32Å; A405-A409 PolarHBondContact O-N 2.89Å
406	A	95.5	Very high	92.6	Very high	29 Å²	29	50 Å²	50	24%	0.24	29%	0.287	C	S	.	.	H	α-helix	trans	-62.2	-42.4	174.8	0	0	0	0	0	111.4	F402 A409 I410 L553	F402-A406 WeakPolarHBondContact O-CB 3.34Å; F402-A406 PolarHBondContact O-N 3.31Å; A406-A409 PolarHBondContact O-N 3.25Å; A406-I410 WeakPolarHBondContact O-CG1 3.39Å; A406-I410 PolarHBondContact O-N 2.73Å; A406-L553 HydrophobicContact CB-CD1 4.42Å
407	T	95.8	Very high	91	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	31%	0.31	C	S	.	.	H	α-helix	trans	-61.5	-47	174.2	-62.4	0	0	0	0	111.4	I403 I404 A405 A409 I410 F411 L524 V525 A528	I403-T407 VanDerWaalsContact O-CB 3.29Å; I403-T407 WeakPolarHBondContact O-CB 3.48Å; I403-T407 PolarHBondContact O-N 3.47Å; I403-T407 PolarHBondContact O-OG1 3.41Å; I404-T407 WeakPolarHBondContact O-CB 3.27Å; I404-T407 PolarHBondContact O-N 3.07Å; A405-T407 VanDerWaalsContact C-N 3.34Å; A405-T407 PolarHBondContact O-N 3.05Å; T407-A409 PolarHBondContact O-N 3.45Å; T407-I410 PolarHBondContact O-N 3.1Å; T407-F411 WeakPolarHBondContact O-CB 3.26Å; T407-F411 PolarHBondContact O-N 3.12Å; T407-L524 HydrophobicContact CG2-CB 3.59Å; T407-V525 HydrophobicContact CG2-CG2 4.49Å; T407-A528 HydrophobicContact CG2-CB 3.85Å
408	A	95.1	Very high	89.1	Confident	41 Å²	41	53.4 Å²	53.4	34%	0.339	33%	0.331	S	S	.	.	H	α-helix	trans	-62.1	-42.7	177	0	0	0	0	0	111.6	I404 A405 F411 L412	I404-A408 WeakPolarHBondContact O-CB 3.42Å; I404-A408 PolarHBondContact O-N 3.15Å; A405-A408 PolarHBondContact O-N 3.2Å; A408-F411 PolarHBondContact O-N 2.98Å; A408-L412 WeakPolarHBondContact O-CB 3.37Å; A408-L412 WeakPolarHBondContact O-CG 3.32Å; A408-L412 PolarHBondContact O-N 2.82Å
409	A	92.6	Very high	87.1	Confident	45 Å²	45	51.9 Å²	51.9	37%	0.372	33%	0.325	S	S	.	.	H	α-helix	trans	-61.3	-49.5	176.9	0	0	0	0	0	111.7	A405 A406 T407 F411 L412 I413	A405-A409 WeakPolarHBondContact O-CB 3.32Å; A405-A409 PolarHBondContact O-N 2.89Å; A406-A409 PolarHBondContact O-N 3.25Å; T407-A409 PolarHBondContact O-N 3.45Å; A409-F411 VanDerWaalsContact C-N 3.3Å; A409-F411 PolarHBondContact O-N 3.39Å; A409-L412 PolarHBondContact O-N 2.94Å; A409-I413 WeakPolarHBondContact O-CB 3.28Å; A409-I413 WeakPolarHBondContact O-CD1 3.16Å; A409-I413 WeakPolarHBondContact O-CG1 3.39Å; A409-I413 PolarHBondContact O-N 3.42Å
410	I	90.3	Very high	84.9	Confident	38 Å²	38	52.9 Å²	52.9	20%	0.195	33%	0.332	C	S	.	.	H	α-helix	trans	-59.8	-41.7	176.2	-74.2	162.6	0	0	0	111.2	A406 T407 G414 L553 F556	A406-I410 WeakPolarHBondContact O-CG1 3.39Å; A406-I410 PolarHBondContact O-N 2.73Å; T407-I410 PolarHBondContact O-N 3.1Å; I410-G414 PolarHBondContact O-N 2.97Å; I410-L553 HydrophobicContact CD1-CD2 3.44Å; I410-L553 VanDerWaalsContact CD1-CD2 3.44Å; I410-F556 HydrophobicContact CD1-CD2 4.41Å; I410-F556 HydrophobicContact CG2-CD2 4.09Å; I410-F556 HydrophobicContact CG2-CE2 3.44Å; I410-F556 VanDerWaalsContact CG2-CE2 3.44Å; I410-F556 HydrophobicContact CG2-CZ 3.99Å
411	F	92.3	Very high	82.8	Confident	35 Å²	35	57.7 Å²	57.7	15%	0.154	37%	0.366	C	S	.	.	H	α-helix	trans	-63.9	-42.6	176.4	-179.8	-96.3	0	0	0	112.3	T407 A408 A409 G414 I415 Y435 I440 N521 V525	T407-F411 WeakPolarHBondContact O-CB 3.26Å; T407-F411 PolarHBondContact O-N 3.12Å; A408-F411 PolarHBondContact O-N 2.98Å; A409-F411 VanDerWaalsContact C-N 3.3Å; A409-F411 PolarHBondContact O-N 3.39Å; F411-G414 PolarHBondContact O-N 3.03Å; F411-I415 HydrophobicContact CD1-CD1 4.42Å; F411-I415 HydrophobicContact CE1-CD1 4.08Å; F411-I415 WeakPolarHBondContact O-CG1 3.18Å; F411-Y435 WeakPolarHBondContact CA-OH 3.34Å; F411-Y435 HydrophobicContact CE2-CE2 4.47Å; F411-Y435 PolarHBondContact O-OH 3.14Å; F411-I440 HydrophobicContact CZ-CD1 4.02Å; F411-I440 HydrophobicContact CZ-CG1 4.32Å; F411-I440 HydrophobicContact CZ-CG2 3.98Å; F411-N521 HydrophobicContact CD2-CB 4.05Å; F411-V525 HydrophobicContact CB-CG2 3.81Å; F411-V525 HydrophobicContact CD1-CG2 4.11Å; F411-V525 HydrophobicContact CD2-CG2 3.38Å; F411-V525 HydrophobicContact CE2-CG2 3.94Å; F411-V525 HydrophobicContact CG-CG2 3.49Å; F411-V525 VanDerWaalsContact CG-CG2 3.49Å; F411-V525 HydrophobicContact CZ-CG2 4.49Å
412	L	90.7	Very high	80.6	Confident	110 Å²	110	58.6 Å²	58.6	58%	0.576	38%	0.376	S	S	*	.	H	α-helix	trans	-71.9	-41.9	-179.4	-71.5	171.9	0	0	0	112.6	A408 A409 G414 I415	A408-L412 WeakPolarHBondContact O-CB 3.37Å; A408-L412 WeakPolarHBondContact O-CG 3.32Å; A408-L412 PolarHBondContact O-N 2.82Å; A409-L412 PolarHBondContact O-N 2.94Å; L412-G414 PolarHBondContact O-N 2.97Å; L412-I415 HydrophobicContact CD2-CD1 4.05Å; L412-I415 WeakPolarHBondContact O-CB 3.18Å; L412-I415 PolarHBondContact O-N 3.24Å
413	I	86.3	Confident	78.3	Confident	91 Å²	91	59.2 Å²	59.2	47%	0.467	38%	0.379	S	S	.	.	H	α-helix	trans	-60.4	-30.2	176.4	-63.8	162.7	0	0	0	110.5	A409 I415 F432 F434	A409-I413 WeakPolarHBondContact O-CB 3.28Å; A409-I413 WeakPolarHBondContact O-CD1 3.16Å; A409-I413 WeakPolarHBondContact O-CG1 3.39Å; A409-I413 PolarHBondContact O-N 3.42Å; I413-I415 VanDerWaalsContact C-N 3.25Å; I413-I415 PolarHBondContact O-N 3.25Å; I413-F432 HydrophobicContact CB-CZ 4.08Å; I413-F432 HydrophobicContact CG2-CE1 3.83Å; I413-F432 HydrophobicContact CG2-CE2 4.42Å; I413-F432 HydrophobicContact CG2-CZ 3.52Å; I413-F434 WeakPolarHBondContact O-CD1 3.46Å; I413-F434 VanDerWaalsContact O-CE1 3.26Å; I413-F434 WeakPolarHBondContact O-CE1 3.32Å
414	G	85.8	Confident	75.9	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-13.4	176.6	0	0	0	0	0	114.9	I410 F411 L412 S416 F434 Y435	I410-G414 PolarHBondContact O-N 2.97Å; F411-G414 PolarHBondContact O-N 3.03Å; L412-G414 PolarHBondContact O-N 2.97Å; G414-S416 PolarHBondContact O-N 2.86Å; G414-F434 CarbonylContact O-C 3.46Å; G414-F434 VanDerWaalsContact O-CA 3.28Å; G414-F434 WeakPolarHBondContact O-CA 3.03Å; G414-Y435 PolarHBondContact O-N 3.01Å
415	I	87.1	Confident	73.4	Confident	20 Å²	20	68 Å²	68	10%	0.103	43%	0.426	C	S	.	.	B	Isolated β-bridge	trans	-81.5	118.7	-176.6	-56.6	-179.9	0	0	0	110.1	F411 L412 I413 A417 Y435 F437 I440	F411-I415 HydrophobicContact CD1-CD1 4.42Å; F411-I415 HydrophobicContact CE1-CD1 4.08Å; F411-I415 WeakPolarHBondContact O-CG1 3.18Å; L412-I415 HydrophobicContact CD2-CD1 4.05Å; L412-I415 WeakPolarHBondContact O-CB 3.18Å; L412-I415 PolarHBondContact O-N 3.24Å; I413-I415 VanDerWaalsContact C-N 3.25Å; I413-I415 PolarHBondContact O-N 3.25Å; I415-A417 HydrophobicContact CG2-CB 4.4Å; I415-A417 PolarHBondContact O-N 3.12Å; I415-Y435 HydrophobicContact CG1-CD2 4.45Å; I415-Y435 HydrophobicContact CG1-CE2 3.81Å; I415-F437 HydrophobicContact CG2-CE2 4.5Å; I415-F437 HydrophobicContact CG2-CZ 4.26Å; I415-I440 HydrophobicContact CD1-CD1 4.1Å; I415-I440 HydrophobicContact CG1-CD1 4.04Å
416	S	73.3	Confident	71.2	Confident	63 Å²	63	74.5 Å²	74.5	44%	0.441	44%	0.439	S	S	.	.	S	Bend	trans	-65.9	-15.2	-179.5	49	0	0	0	0	115.5	G414 Y435 T436	G414-S416 PolarHBondContact O-N 2.86Å; S416-Y435 WeakPolarHBondContact CB-O 3.33Å; S416-Y435 PolarHBondContact N-O 3.04Å; S416-Y435 PolarHBondContact OG-O 3.25Å; S416-T436 WeakPolarHBondContact OG-CG2 3.33Å
417	A	59.9	Low	69	Low	60 Å²	60	81 Å²	81	50%	0.496	46%	0.464	S	S	.	.	S	Bend	trans	-105.1	100.1	-175	0	0	0	0	0	110.7	I415 F437	I415-A417 HydrophobicContact CG2-CB 4.4Å; I415-A417 PolarHBondContact O-N 3.12Å; A417-F437 HydrophobicContact CB-CD2 4.46Å; A417-F437 HydrophobicContact CB-CE2 3.88Å
418	G	54.2	Low	67	Low	73 Å²	73	89.6 Å²	89.6	75%	0.753	50%	0.504	S	S	*	.	S	Bend	trans	141.2	-5.3	164.9	0	0	0	0	0	117.8	P420	G418-P420 WeakPolarHBondContact O-CD 3.24Å
419	L	53.2	Low	65.5	Low	106 Å²	106	90 Å²	90	56%	0.555	50%	0.504	S	S	*	.			trans	-82.5	123.2	175.5	-85.4	145.3	0	0	0	110.7	F423	L419-F423 HydrophobicContact CD2-CB 4.29Å
420	P	48.9	Very low	64.3	Low	78 Å²	78	90.5 Å²	90.5	51%	0.506	50%	0.503	S	S	.	.			trans	-56	140.2	171.4	-21.2	32	0	0	0	110.2	G418 S422 F423	G418-P420 WeakPolarHBondContact O-CD 3.24Å; P420-S422 PolarHBondContact O-N 2.96Å; P420-F423 PolarHBondContact O-N 3.41Å
421	S	51.5	Low	63.9	Low	103 Å²	103	89.2 Å²	89.2	72%	0.72	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-56.7	-9.3	179.3	57.1	0	0	0	0	114.6	D424	S421-D424 VanDerWaalsContact O-CB 3.26Å; S421-D424 WeakPolarHBondContact O-CB 3.34Å
422	S	52	Low	63.3	Low	101 Å²	101	90.3 Å²	90.3	71%	0.706	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-79.3	-13	175.5	40.6	0	0	0	0	114.6	P420	P420-S422 PolarHBondContact O-N 2.96Å
423	F	48.8	Very low	63	Low	156 Å²	156	86.5 Å²	86.5	68%	0.684	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-105.9	21.7	170.7	-90	-81.6	0	0	0	112.8	L419 P420 L425	L419-F423 HydrophobicContact CD2-CB 4.29Å; P420-F423 PolarHBondContact O-N 3.41Å; F423-L425 PolarHBondContact O-N 3.37Å
424	D	45.6	Very low	62.9	Low	78 Å²	78	87.1 Å²	87.1	42%	0.417	48%	0.478	S	S	.	.			trans	-72.5	66	-179.6	-150.1	28.5	0	0	0	110.7	S421 R426	S421-D424 VanDerWaalsContact O-CB 3.26Å; S421-D424 WeakPolarHBondContact O-CB 3.34Å; D424-R426 PolarHBondContact O-N 2.9Å; D424-R426 WeakPolarHBondContact OD1-CB 3.41Å; D424-R426 WeakPolarHBondContact OD1-CD 3.46Å; D424-R426 WeakPolarHBondContact OD1-CG 3.27Å; D424-R426 IonicContact OD1-CZ 3.84Å; D424-R426 IonicContact OD1-NE 3.64Å; D424-R426 PolarHBondContact OD1-NE 3.28Å; D424-R426 IonicContact OD1-NH2 2.65Å; D424-R426 WeakPolarHBondContact OD2-CD 3.25Å; D424-R426 IonicContact OD2-CZ 2.71Å; D424-R426 IonicContact OD2-NE 3.26Å; D424-R426 PolarHBondContact OD2-NE 2.9Å; D424-R426 IonicContact OD2-NH1 2.78Å; D424-R426 PolarHBondContact OD2-NH1 2.87Å; D424-R426 IonicContact OD2-NH2 3.62Å; D424-R426 PolarHBondContact OD2-NH2 3.47Å
425	L	44.9	Very low	63.1	Low	146 Å²	146	87.1 Å²	87.1	76%	0.764	48%	0.478	S	S	*	.			trans	-67.1	52.8	154	-74.4	165.2	0	0	0	108.1	F423 Q427	F423-L425 PolarHBondContact O-N 3.37Å; L425-Q427 PolarHBondContact O-N 3.33Å
426	R	51.8	Low	63.2	Low	190 Å²	190	88.8 Å²	88.8	72%	0.717	49%	0.489	S	S	*	.			trans	-66.2	26.4	175.5	-126.4	-179.6	-123.3	172.6	13	111.5	D424	D424-R426 PolarHBondContact O-N 2.9Å; D424-R426 WeakPolarHBondContact OD1-CB 3.41Å; D424-R426 WeakPolarHBondContact OD1-CD 3.46Å; D424-R426 WeakPolarHBondContact OD1-CG 3.27Å; D424-R426 IonicContact OD1-CZ 3.84Å; D424-R426 IonicContact OD1-NE 3.64Å; D424-R426 PolarHBondContact OD1-NE 3.28Å; D424-R426 IonicContact OD1-NH2 2.65Å; D424-R426 WeakPolarHBondContact OD2-CD 3.25Å; D424-R426 IonicContact OD2-CZ 2.71Å; D424-R426 IonicContact OD2-NE 3.26Å; D424-R426 PolarHBondContact OD2-NE 2.9Å; D424-R426 IonicContact OD2-NH1 2.78Å; D424-R426 PolarHBondContact OD2-NH1 2.87Å; D424-R426 IonicContact OD2-NH2 3.62Å; D424-R426 PolarHBondContact OD2-NH2 3.47Å
427	Q	47.8	Very low	64	Low	165 Å²	165	92.3 Å²	92.3	77%	0.771	50%	0.497	S	S	*	.			trans	-74.1	124.6	176.5	-151.6	175	23.5	0	0	107.8	L425 S429	L425-Q427 PolarHBondContact O-N 3.33Å; Q427-S429 PolarHBondContact O-N 2.63Å
428	E	53.7	Low	65.5	Low	183 Å²	183	92.2 Å²	92.2	86%	0.855	50%	0.496	S	S	*	.			trans	-61.8	67.3	-168.7	-55.8	-162.1	149.6	0	0	114.5	V430	E428-V430 PolarHBondContact O-N 3Å; E428-V430 VanDerWaalsContact O-N 3.1Å
429	S	63.6	Low	67.3	Low	49 Å²	49	89.4 Å²	89.4	34%	0.343	46%	0.463	S	S	.	.			trans	-67.6	111.8	164.6	178.4	0	0	0	0	108	Q427 W431 F432	Q427-S429 PolarHBondContact O-N 2.63Å; S429-W431 PolarHBondContact O-N 3.41Å; S429-W431 PolarHBondContact OG-N 2.93Å; S429-F432 PolarHBondContact O-N 3.2Å; S429-F432 PolarHBondContact OG-N 2.72Å
430	V	69.3	Low	69.3	Low	56 Å²	56	85.1 Å²	85.1	34%	0.339	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-19.6	176	-178.1	0	0	0	0	111.7	E428 R433 V566	E428-V430 PolarHBondContact O-N 3Å; E428-V430 VanDerWaalsContact O-N 3.1Å; V430-R433 PolarHBondContact O-NE 2.97Å; V430-R433 PolarHBondContact O-NH2 2.67Å; V430-V566 HydrophobicContact CG1-CG1 4.19Å
431	W	80.1	Confident	71.4	Confident	11 Å²	11	83.3 Å²	83.3	4%	0.042	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-23	-172.2	-50.8	116	0	0	0	114.9	S429 Q517 L559 S562 D563 V566 I576 I577	S429-W431 PolarHBondContact O-N 3.41Å; S429-W431 PolarHBondContact OG-N 2.93Å; W431-Q517 PolarHBondContact O-OE1 2.84Å; W431-L559 HydrophobicContact CB-CB 4.18Å; W431-L559 HydrophobicContact CD2-CB 4.08Å; W431-L559 HydrophobicContact CD2-CD2 4.43Å; W431-L559 HydrophobicContact CE3-CB 4.26Å; W431-L559 HydrophobicContact CE3-CD2 3.83Å; W431-L559 HydrophobicContact CE3-CG 4.43Å; W431-L559 HydrophobicContact CG-CB 4.05Å; W431-L559 HydrophobicContact CZ3-CD2 3.92Å; W431-L559 PolarHBondContact NE1-O 3.44Å; W431-S562 WeakPolarHBondContact CZ2-OG 3.48Å; W431-D563 PolarHBondContact NE1-OD1 3.28Å; W431-V566 HydrophobicContact CH2-CB 4.41Å; W431-V566 HydrophobicContact CH2-CG2 3.17Å; W431-V566 HydrophobicContact CZ2-CB 4.1Å; W431-V566 HydrophobicContact CZ2-CG2 3.25Å; W431-V566 HydrophobicContact CZ3-CG2 4.24Å; W431-I576 HydrophobicContact CH2-CB 3.86Å; W431-I576 HydrophobicContact CH2-CD1 4.05Å; W431-I576 HydrophobicContact CH2-CG2 3.44Å; W431-I576 VanDerWaalsContact CH2-CG2 3.44Å; W431-I576 HydrophobicContact CZ2-CG2 4.17Å; W431-I576 HydrophobicContact CZ3-CB 4.41Å; W431-I576 HydrophobicContact CZ3-CG2 4.06Å; W431-I577 HydrophobicContact CE3-CG1 4.45Å; W431-I577 HydrophobicContact CZ3-CG1 4.02Å
432	F	80.1	Confident	73.4	Confident	58 Å²	58	79.8 Å²	79.8	25%	0.254	41%	0.405	S	S	.	.			trans	-112.1	115.2	-178.4	-163.5	-91.7	0	0	0	111.2	I413 S429 F434 F556	I413-F432 HydrophobicContact CB-CZ 4.08Å; I413-F432 HydrophobicContact CG2-CE1 3.83Å; I413-F432 HydrophobicContact CG2-CE2 4.42Å; I413-F432 HydrophobicContact CG2-CZ 3.52Å; S429-F432 PolarHBondContact O-N 3.2Å; S429-F432 PolarHBondContact OG-N 2.72Å; F432-F434 HydrophobicContact CD1-CE1 4.41Å; F432-F434 HydrophobicContact CD1-CZ 4.32Å; F432-F434 HydrophobicContact CE1-CD1 4.17Å; F432-F434 AromaticContact CE1-CE1 3.81Å; F432-F434 HydrophobicContact CE1-CE1 3.81Å; F432-F434 HydrophobicContact CE1-CZ 4.14Å; F432-F556 HydrophobicContact CD2-CE1 4.23Å
433	R	83.9	Confident	75.4	Confident	30 Å²	30	75 Å²	75	11%	0.113	37%	0.372	C	S	.	.			trans	-122.7	136.3	-175.2	-54.3	171.4	-169.1	126.6	8	110.3	V430 L513 V514 Q517	V430-R433 PolarHBondContact O-NE 2.97Å; V430-R433 PolarHBondContact O-NH2 2.67Å; R433-L513 WeakPolarHBondContact CD-O 3.19Å; R433-L513 VanDerWaalsContact CZ-CB 3.44Å; R433-L513 PolarHBondContact NH1-O 3.44Å; R433-V514 HydrophobicContact CB-CG2 4Å; R433-Q517 PolarHBondContact O-NE2 2.82Å; R433-Q517 PolarHBondContact O-OE1 3.42Å
434	F	85.7	Confident	77.7	Confident	104 Å²	104	71.5 Å²	71.5	46%	0.456	36%	0.36	S	S	.	.			trans	-82.9	138.5	176.3	-58.7	-82.9	0	0	0	111	I413 G414 F432	I413-F434 WeakPolarHBondContact O-CD1 3.46Å; I413-F434 VanDerWaalsContact O-CE1 3.26Å; I413-F434 WeakPolarHBondContact O-CE1 3.32Å; G414-F434 CarbonylContact O-C 3.46Å; G414-F434 VanDerWaalsContact O-CA 3.28Å; G414-F434 WeakPolarHBondContact O-CA 3.03Å; F432-F434 HydrophobicContact CD1-CE1 4.41Å; F432-F434 HydrophobicContact CD1-CZ 4.32Å; F432-F434 HydrophobicContact CE1-CD1 4.17Å; F432-F434 AromaticContact CE1-CE1 3.81Å; F432-F434 HydrophobicContact CE1-CE1 3.81Å; F432-F434 HydrophobicContact CE1-CZ 4.14Å
435	Y	89.2	Confident	80.1	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-113.5	160.9	173	45.2	-102.7	0	0	0	111.1	F411 G414 I415 S416 I440 C518 N521	F411-Y435 WeakPolarHBondContact CA-OH 3.34Å; F411-Y435 HydrophobicContact CE2-CE2 4.47Å; F411-Y435 PolarHBondContact O-OH 3.14Å; G414-Y435 PolarHBondContact O-N 3.01Å; I415-Y435 HydrophobicContact CG1-CD2 4.45Å; I415-Y435 HydrophobicContact CG1-CE2 3.81Å; S416-Y435 WeakPolarHBondContact CB-O 3.33Å; S416-Y435 PolarHBondContact N-O 3.04Å; S416-Y435 PolarHBondContact OG-O 3.25Å; Y435-I440 HydrophobicContact CD2-CD1 3.8Å; Y435-I440 HydrophobicContact CD2-CG1 3.57Å; Y435-I440 HydrophobicContact CE2-CD1 3.76Å; Y435-I440 HydrophobicContact CE2-CG1 3.77Å; Y435-C518 HydrophobicContact CD1-CB 3.9Å; Y435-C518 HydrophobicContact CG-CB 4.01Å; Y435-N521 HydrophobicContact CE1-CB 4.2Å; Y435-N521 WeakPolarHBondContact CE1-ND2 3.36Å; Y435-N521 PolarHBondContact OH-ND2 3.17Å
436	T	90.1	Very high	82.6	Confident	55 Å²	55	66.8 Å²	66.8	34%	0.337	33%	0.33	S	S	.	.			trans	-102.6	167.6	178.5	68.2	0	0	0	0	110.4	S416 A438 H439 I440	S416-T436 WeakPolarHBondContact OG-CG2 3.33Å; T436-A438 PolarHBondContact O-N 2.93Å; T436-A438 VanDerWaalsContact O-N 3.14Å; T436-A438 PolarHBondContact OG1-N 2.96Å; T436-H439 PolarHBondContact N-ND1 3.26Å; T436-H439 VanDerWaalsContact N-ND1 3.19Å; T436-H439 WeakPolarHBondContact O-CB 3.5Å; T436-H439 PolarHBondContact O-N 2.86Å; T436-H439 PolarHBondContact OG1-ND1 3.45Å; T436-I440 PolarHBondContact O-N 3.38Å
437	F	90.4	Very high	84.7	Confident	136 Å²	136	58.1 Å²	58.1	60%	0.596	30%	0.297	S	S	*	.	H	α-helix	trans	-54.6	-30.6	172.8	-71	-71.3	0	0	0	113.7	I415 A417 I440 A441	I415-F437 HydrophobicContact CG2-CE2 4.5Å; I415-F437 HydrophobicContact CG2-CZ 4.26Å; A417-F437 HydrophobicContact CB-CD2 4.46Å; A417-F437 HydrophobicContact CB-CE2 3.88Å; F437-I440 HydrophobicContact CD1-CD1 4.32Å; F437-I440 PolarHBondContact O-N 2.97Å; F437-A441 WeakPolarHBondContact O-CB 3.24Å; F437-A441 PolarHBondContact O-N 3.07Å
438	A	90.7	Very high	87.1	Confident	58 Å²	58	51.9 Å²	51.9	48%	0.479	28%	0.277	S	S	.	.	H	α-helix	trans	-64.9	-42.3	175.5	0	0	0	0	0	112.2	T436 A441 D442	T436-A438 PolarHBondContact O-N 2.93Å; T436-A438 VanDerWaalsContact O-N 3.14Å; T436-A438 PolarHBondContact OG1-N 2.96Å; A438-A441 PolarHBondContact O-N 3.13Å; A438-D442 WeakPolarHBondContact O-CB 3.31Å; A438-D442 PolarHBondContact O-N 2.6Å
439	H	91.8	Very high	89.2	Confident	15 Å²	15	47.3 Å²	47.3	7%	0.069	26%	0.258	C	S	.	.	H	α-helix	trans	-63.8	-42	175.6	-63.5	93.7	0	0	0	111.3	T436 D442 S443 Q511 Y515 C518	T436-H439 PolarHBondContact N-ND1 3.26Å; T436-H439 VanDerWaalsContact N-ND1 3.19Å; T436-H439 WeakPolarHBondContact O-CB 3.5Å; T436-H439 PolarHBondContact O-N 2.86Å; T436-H439 PolarHBondContact OG1-ND1 3.45Å; H439-D442 PolarHBondContact O-N 3.08Å; H439-S443 VanDerWaalsContact O-CB 3.27Å; H439-S443 WeakPolarHBondContact O-CB 3.31Å; H439-S443 PolarHBondContact O-N 2.85Å; H439-Q511 PolarHBondContact NE2-OE1 3.3Å; H439-Y515 HydrophobicContact CB-CE1 4.4Å; H439-Y515 AromaticContact CD2-CD1 3.91Å; H439-Y515 AromaticContact CD2-CD2 3.77Å; H439-Y515 AromaticContact CD2-CE1 3.61Å; H439-Y515 AromaticContact CD2-CE2 3.44Å; H439-Y515 VanDerWaalsContact CD2-CE2 3.44Å; H439-Y515 WeakPolarHBondContact CD2-CE2 3.4Å; H439-Y515 AromaticContact CD2-CG 3.99Å; H439-Y515 AromaticContact CD2-CZ 3.36Å; H439-Y515 AromaticContact NE2-CE2 3.68Å; H439-Y515 AromaticContact NE2-CZ 3.93Å; H439-C518 HydrophobicContact CB-CB 4.26Å; H439-C518 PolarHBondContact O-SG 2.95Å
440	I	94.2	Very high	90.8	Very high	16 Å²	16	45 Å²	45	8%	0.082	24%	0.242	C	C	.	.	H	α-helix	trans	-61.7	-48.7	177.1	-61.2	170.5	0	0	0	110.1	F411 I415 Y435 T436 F437 D442 S443 L444	F411-I440 HydrophobicContact CZ-CD1 4.02Å; F411-I440 HydrophobicContact CZ-CG1 4.32Å; F411-I440 HydrophobicContact CZ-CG2 3.98Å; I415-I440 HydrophobicContact CD1-CD1 4.1Å; I415-I440 HydrophobicContact CG1-CD1 4.04Å; Y435-I440 HydrophobicContact CD2-CD1 3.8Å; Y435-I440 HydrophobicContact CD2-CG1 3.57Å; Y435-I440 HydrophobicContact CE2-CD1 3.76Å; Y435-I440 HydrophobicContact CE2-CG1 3.77Å; T436-I440 PolarHBondContact O-N 3.38Å; F437-I440 HydrophobicContact CD1-CD1 4.32Å; F437-I440 PolarHBondContact O-N 2.97Å; I440-D442 VanDerWaalsContact C-N 3.34Å; I440-D442 PolarHBondContact O-N 3.03Å; I440-S443 PolarHBondContact O-N 3.44Å; I440-L444 HydrophobicContact CG2-CD1 3.9Å; I440-L444 HydrophobicContact CG2-CG 4.29Å; I440-L444 WeakPolarHBondContact O-CB 3.27Å; I440-L444 WeakPolarHBondContact O-CG 3.46Å; I440-L444 PolarHBondContact O-N 2.88Å
441	A	94.4	Very high	92.2	Very high	40 Å²	40	46.3 Å²	46.3	33%	0.331	25%	0.247	S	C	.	.	H	α-helix	trans	-60.8	-42.6	178.7	0	0	0	0	0	112	F437 A438 K445	F437-A441 WeakPolarHBondContact O-CB 3.24Å; F437-A441 PolarHBondContact O-N 3.07Å; A438-A441 PolarHBondContact O-N 3.13Å; A441-K445 WeakPolarHBondContact O-CB 3.35Å; A441-K445 WeakPolarHBondContact O-CD 3.38Å; A441-K445 WeakPolarHBondContact O-CG 3.42Å; A441-K445 PolarHBondContact O-N 3.22Å
442	D	93.1	Very high	93	Very high	29 Å²	29	51 Å²	51	16%	0.155	27%	0.272	C	S	.	.	H	α-helix	trans	-63.9	-41.9	175.5	-76.8	-17.4	0	0	0	111.9	A438 H439 I440 K445 A446 F504 Y515	A438-D442 WeakPolarHBondContact O-CB 3.31Å; A438-D442 PolarHBondContact O-N 2.6Å; H439-D442 PolarHBondContact O-N 3.08Å; I440-D442 VanDerWaalsContact C-N 3.34Å; I440-D442 PolarHBondContact O-N 3.03Å; D442-K445 PolarHBondContact O-N 3.26Å; D442-A446 WeakPolarHBondContact O-CB 3.33Å; D442-A446 PolarHBondContact O-N 3.42Å; D442-F504 HydrophobicContact CB-CZ 4.13Å; D442-Y515 HydrophobicContact CB-CE1 3.96Å; D442-Y515 PolarHBondContact OD2-OH 2.89Å
443	S	94.9	Very high	93.9	Very high	1 Å²	1	49 Å²	49	1%	0.007	27%	0.268	C	S	.	.	H	α-helix	trans	-65.7	-45.5	178.2	178.5	0	0	0	0	112.4	H439 I440 K445 A446 H447 C518 V519 C522	H439-S443 VanDerWaalsContact O-CB 3.27Å; H439-S443 WeakPolarHBondContact O-CB 3.31Å; H439-S443 PolarHBondContact O-N 2.85Å; I440-S443 PolarHBondContact O-N 3.44Å; S443-K445 VanDerWaalsContact C-N 3.35Å; S443-A446 WeakPolarHBondContact O-CB 3.28Å; S443-A446 PolarHBondContact O-N 3.46Å; S443-H447 PolarHBondContact O-N 2.67Å; S443-H447 PolarHBondContact O-ND1 3.38Å; S443-C518 PolarHBondContact OG-O 2.77Å; S443-V519 VanDerWaalsContact OG-CA 3.3Å; S443-V519 WeakPolarHBondContact OG-CA 3.12Å; S443-C522 VanDerWaalsContact CB-SG 3.6Å; S443-C522 WeakPolarHBondContact OG-CB 3.32Å; S443-C522 PolarHBondContact OG-SG 3.26Å
444	L	95.7	Very high	94.5	Very high	82 Å²	82	47.6 Å²	47.6	43%	0.429	26%	0.262	S	S	.	.	H	α-helix	trans	-64.1	-40.1	175.9	-70.3	175.5	0	0	0	111.5	I440 A446 H447 G448 C522	I440-L444 HydrophobicContact CG2-CD1 3.9Å; I440-L444 HydrophobicContact CG2-CG 4.29Å; I440-L444 WeakPolarHBondContact O-CB 3.27Å; I440-L444 WeakPolarHBondContact O-CG 3.46Å; I440-L444 PolarHBondContact O-N 2.88Å; L444-A446 VanDerWaalsContact C-N 3.33Å; L444-A446 PolarHBondContact O-N 3.12Å; L444-H447 PolarHBondContact O-N 2.92Å; L444-G448 PolarHBondContact O-N 3.43Å; L444-C522 HydrophobicContact CD2-CB 4.35Å
445	K	96.4	Very high	95.1	Very high	125 Å²	125	46.2 Å²	46.2	54%	0.543	26%	0.262	S	S	.	.	H	α-helix	trans	-60.2	-43.5	171.8	-75	169.8	-170.7	172.8	0	111.6	A441 D442 S443 G448 L449 F500	A441-K445 WeakPolarHBondContact O-CB 3.35Å; A441-K445 WeakPolarHBondContact O-CD 3.38Å; A441-K445 WeakPolarHBondContact O-CG 3.42Å; A441-K445 PolarHBondContact O-N 3.22Å; D442-K445 PolarHBondContact O-N 3.26Å; S443-K445 VanDerWaalsContact C-N 3.35Å; K445-G448 PolarHBondContact O-N 2.91Å; K445-L449 WeakPolarHBondContact O-CB 3.19Å; K445-L449 WeakPolarHBondContact O-CG 3.11Å; K445-L449 PolarHBondContact O-N 3.3Å; K445-F500 HydrophobicContact CB-CE1 4.49Å; K445-F500 HydrophobicContact CB-CZ 4.35Å
446	A	96.5	Very high	95.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.6	-46.2	177.5	0	0	0	0	0	111.5	D442 S443 L444 A450 F500	D442-A446 WeakPolarHBondContact O-CB 3.33Å; D442-A446 PolarHBondContact O-N 3.42Å; S443-A446 WeakPolarHBondContact O-CB 3.28Å; S443-A446 PolarHBondContact O-N 3.46Å; L444-A446 VanDerWaalsContact C-N 3.33Å; L444-A446 PolarHBondContact O-N 3.12Å; A446-A450 WeakPolarHBondContact O-CB 3.49Å; A446-A450 PolarHBondContact O-N 2.67Å; A446-F500 HydrophobicContact CB-CB 4.29Å; A446-F500 HydrophobicContact CB-CD1 3.75Å; A446-F500 HydrophobicContact CB-CD2 3.99Å; A446-F500 HydrophobicContact CB-CE1 4Å; A446-F500 HydrophobicContact CB-CE2 4.24Å; A446-F500 HydrophobicContact CB-CG 3.73Å; A446-F500 HydrophobicContact CB-CZ 4.25Å
447	H	97.4	Very high	95.9	Very high	7 Å²	7	47.7 Å²	47.7	3%	0.032	28%	0.278	C	S	.	.	H	α-helix	trans	-66.1	-42.9	176.9	-71.8	93	0	0	0	113	S443 L444 A450 L451 V519 T523 L526	S443-H447 PolarHBondContact O-N 2.67Å; S443-H447 PolarHBondContact O-ND1 3.38Å; L444-H447 PolarHBondContact O-N 2.92Å; H447-A450 PolarHBondContact O-N 3.26Å; H447-L451 WeakPolarHBondContact O-CB 3.37Å; H447-L451 PolarHBondContact O-N 3.49Å; H447-V519 PolarHBondContact CE1-O 2.84Å; H447-V519 VanDerWaalsContact CE1-O 3.31Å; H447-T523 PolarHBondContact NE2-OG1 3.3Å; H447-L526 HydrophobicContact CB-CD1 3.51Å; H447-L526 VanDerWaalsContact CD2-CD1 3.45Å; H447-L526 WeakPolarHBondContact CD2-CD1 3.5Å; H447-L526 VanDerWaalsContact CG-CD1 3.46Å
448	G	97.2	Very high	96.2	Very high	35 Å²	35	41.2 Å²	41.2	36%	0.361	25%	0.25	S	C	.	.	H	α-helix	trans	-62	-45.1	178.1	0	0	0	0	0	111.9	L444 K445 L452	L444-G448 PolarHBondContact O-N 3.43Å; K445-G448 PolarHBondContact O-N 2.91Å; G448-L452 WeakPolarHBondContact O-CG 3.35Å; G448-L452 PolarHBondContact O-N 3.01Å
449	L	97.8	Very high	96.5	Very high	87 Å²	87	40.8 Å²	40.8	46%	0.455	25%	0.246	S	C	.	.	H	α-helix	trans	-69.7	-32.9	174.7	-69.4	173.2	0	0	0	112.4	K445 L452 G453 V496 F500	K445-L449 WeakPolarHBondContact O-CB 3.19Å; K445-L449 WeakPolarHBondContact O-CG 3.11Å; K445-L449 PolarHBondContact O-N 3.3Å; L449-L452 HydrophobicContact CD2-CD1 4.33Å; L449-L452 PolarHBondContact O-N 2.99Å; L449-G453 PolarHBondContact O-N 2.94Å; L449-V496 HydrophobicContact CB-CG1 3.76Å; L449-F500 HydrophobicContact CD1-CE2 3.71Å; L449-F500 HydrophobicContact CD1-CZ 3.79Å
450	A	98	Very high	96.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-68.8	-40.8	176.4	0	0	0	0	0	111.4	A446 H447 G453 S454 G493 V496 H497 M632	A446-A450 WeakPolarHBondContact O-CB 3.49Å; A446-A450 PolarHBondContact O-N 2.67Å; H447-A450 PolarHBondContact O-N 3.26Å; A450-G453 WeakPolarHBondContact O-CA 3.39Å; A450-G453 PolarHBondContact O-N 2.66Å; A450-G453 VanDerWaalsContact O-N 3.15Å; A450-S454 PolarHBondContact O-N 3.12Å; A450-S454 PolarHBondContact O-OG 2.63Å; A450-S454 VanDerWaalsContact O-OG 3.12Å; A450-G493 WeakPolarHBondContact O-CA 3.4Å; A450-V496 HydrophobicContact CB-CB 4.06Å; A450-V496 HydrophobicContact CB-CG1 4.13Å; A450-H497 WeakPolarHBondContact CB-NE2 3.38Å; A450-M632 HydrophobicContact CB-CE 4.27Å; A450-M632 HydrophobicContact CB-SD 3.69Å
451	L	97.7	Very high	96.8	Very high	83 Å²	83	44.9 Å²	44.9	44%	0.435	27%	0.272	S	S	.	.	H	α-helix	trans	-58.6	-48.1	170.9	176.9	61.6	0	0	0	110.9	H447 G453 S454 V455 V629	H447-L451 WeakPolarHBondContact O-CB 3.37Å; H447-L451 PolarHBondContact O-N 3.49Å; L451-G453 VanDerWaalsContact C-N 3.28Å; L451-G453 PolarHBondContact O-N 3.1Å; L451-S454 PolarHBondContact O-N 2.62Å; L451-V455 HydrophobicContact CD1-CG2 4.27Å; L451-V455 WeakPolarHBondContact O-CG2 3.5Å; L451-V455 PolarHBondContact O-N 3.48Å; L451-V629 HydrophobicContact CD1-CG1 4.01Å; L451-V629 HydrophobicContact CD1-CG2 3.75Å
452	L	97.9	Very high	96.9	Very high	111 Å²	111	44.3 Å²	44.3	58%	0.581	26%	0.263	S	S	*	.	H	α-helix	trans	-60.8	-38.2	174.5	-70.3	173.6	0	0	0	111.9	G448 L449 A456	G448-L452 WeakPolarHBondContact O-CG 3.35Å; G448-L452 PolarHBondContact O-N 3.01Å; L449-L452 HydrophobicContact CD2-CD1 4.33Å; L449-L452 PolarHBondContact O-N 2.99Å; L452-A456 WeakPolarHBondContact O-CB 3.21Å; L452-A456 PolarHBondContact O-N 2.88Å
453	G	97.9	Very high	97.1	Very high	15 Å²	15	49.8 Å²	49.8	16%	0.155	29%	0.286	C	S	.	.	H	α-helix	trans	-63	-42.8	175.1	0	0	0	0	0	112.8	L449 A450 L451 S457	L449-G453 PolarHBondContact O-N 2.94Å; A450-G453 WeakPolarHBondContact O-CA 3.39Å; A450-G453 PolarHBondContact O-N 2.66Å; A450-G453 VanDerWaalsContact O-N 3.15Å; L451-G453 VanDerWaalsContact C-N 3.28Å; L451-G453 PolarHBondContact O-N 3.1Å; G453-S457 VanDerWaalsContact O-CB 3.31Å; G453-S457 WeakPolarHBondContact O-CB 3.08Å; G453-S457 PolarHBondContact O-N 2.86Å; G453-S457 PolarHBondContact O-OG 3.04Å
454	S	98.3	Very high	97.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.6	-48.5	175.4	-60.1	0	0	0	0	111.6	A450 L451 S457 G458 A489 G493	A450-S454 PolarHBondContact O-N 3.12Å; A450-S454 PolarHBondContact O-OG 2.63Å; A450-S454 VanDerWaalsContact O-OG 3.12Å; L451-S454 PolarHBondContact O-N 2.62Å; S454-S457 PolarHBondContact O-N 3.24Å; S454-G458 PolarHBondContact O-N 2.86Å; S454-A489 WeakPolarHBondContact CA-O 3.48Å; S454-A489 WeakPolarHBondContact CB-O 3.35Å; S454-A489 PolarHBondContact OG-O 2.76Å; S454-A489 VanDerWaalsContact OG-O 3.09Å; S454-G493 VanDerWaalsContact OG-CA 3.29Å; S454-G493 WeakPolarHBondContact OG-CA 3.32Å; S454-G493 PolarHBondContact OG-N 2.98Å
455	V	98.1	Very high	96.9	Very high	75 Å²	75	46.8 Å²	46.8	46%	0.455	27%	0.272	S	S	.	.	H	α-helix	trans	-63.8	-44.8	178.5	172.8	0	0	0	0	111.1	L451 S457 G458 A459 T625	L451-V455 HydrophobicContact CD1-CG2 4.27Å; L451-V455 WeakPolarHBondContact O-CG2 3.5Å; L451-V455 PolarHBondContact O-N 3.48Å; V455-S457 VanDerWaalsContact C-N 3.34Å; V455-S457 PolarHBondContact O-N 2.92Å; V455-G458 PolarHBondContact O-N 3.5Å; V455-A459 VanDerWaalsContact O-CB 3.29Å; V455-A459 WeakPolarHBondContact O-CB 3.41Å; V455-A459 PolarHBondContact O-N 2.99Å; V455-T625 HydrophobicContact CG2-CG2 4.18Å
456	A	97.9	Very high	96.7	Very high	52 Å²	52	42.6 Å²	42.6	43%	0.43	26%	0.259	S	S	.	.	H	α-helix	trans	-62.9	-41	177.4	0	0	0	0	0	111.5	L452 A459 V460	L452-A456 WeakPolarHBondContact O-CB 3.21Å; L452-A456 PolarHBondContact O-N 2.88Å; A456-A459 PolarHBondContact O-N 3.32Å; A456-V460 WeakPolarHBondContact O-CB 3.45Å; A456-V460 VanDerWaalsContact O-CG2 3.23Å; A456-V460 WeakPolarHBondContact O-CG2 3.29Å; A456-V460 PolarHBondContact O-N 3.47Å
457	S	97.6	Very high	96.5	Very high	35 Å²	35	47 Å²	47	25%	0.245	29%	0.286	C	S	.	.	H	α-helix	trans	-67.3	-41.4	178.5	-57.7	0	0	0	0	112.1	G453 S454 V455 V460 M461 P488 G492	G453-S457 VanDerWaalsContact O-CB 3.31Å; G453-S457 WeakPolarHBondContact O-CB 3.08Å; G453-S457 PolarHBondContact O-N 2.86Å; G453-S457 PolarHBondContact O-OG 3.04Å; S454-S457 PolarHBondContact O-N 3.24Å; V455-S457 VanDerWaalsContact C-N 3.34Å; V455-S457 PolarHBondContact O-N 2.92Å; S457-V460 PolarHBondContact O-N 3.12Å; S457-M461 PolarHBondContact O-N 3.09Å; S457-P488 VanDerWaalsContact CB-O 3.23Å; S457-P488 WeakPolarHBondContact CB-O 3.41Å; S457-G492 VanDerWaalsContact OG-CA 3.31Å; S457-G492 WeakPolarHBondContact OG-CA 3.35Å
458	G	96.5	Very high	96	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.3	-45.6	171.7	0	0	0	0	0	112.1	S454 V455 V460 M461 L462	S454-G458 PolarHBondContact O-N 2.86Å; V455-G458 PolarHBondContact O-N 3.5Å; G458-V460 PolarHBondContact O-N 3.06Å; G458-M461 PolarHBondContact O-N 3.35Å; G458-L462 WeakPolarHBondContact O-CB 3.42Å; G458-L462 PolarHBondContact O-N 2.92Å
459	A	96.8	Very high	95.5	Very high	49 Å²	49	50 Å²	50	41%	0.405	30%	0.298	S	S	.	.	H	α-helix	trans	-64.5	-38.1	177.7	0	0	0	0	0	112.9	V455 A456 L462 F463	V455-A459 VanDerWaalsContact O-CB 3.29Å; V455-A459 WeakPolarHBondContact O-CB 3.41Å; V455-A459 PolarHBondContact O-N 2.99Å; A456-A459 PolarHBondContact O-N 3.32Å; A459-L462 PolarHBondContact O-N 2.9Å; A459-F463 WeakPolarHBondContact O-CB 3.39Å; A459-F463 PolarHBondContact O-N 3.12Å
460	V	97	Very high	94.9	Very high	100 Å²	100	46.7 Å²	46.7	61%	0.606	28%	0.281	S	S	*	.	H	α-helix	trans	-63.3	-43.6	173.4	166.8	0	0	0	0	110.4	A456 S457 G458 F463 A464	A456-V460 WeakPolarHBondContact O-CB 3.45Å; A456-V460 VanDerWaalsContact O-CG2 3.23Å; A456-V460 WeakPolarHBondContact O-CG2 3.29Å; A456-V460 PolarHBondContact O-N 3.47Å; S457-V460 PolarHBondContact O-N 3.12Å; G458-V460 PolarHBondContact O-N 3.06Å; V460-F463 PolarHBondContact O-N 3.07Å; V460-A464 VanDerWaalsContact O-CB 3.32Å; V460-A464 WeakPolarHBondContact O-CB 3.49Å; V460-A464 PolarHBondContact O-N 3.38Å
461	M	96.2	Very high	94.6	Very high	16 Å²	16	48.8 Å²	48.8	8%	0.079	29%	0.289	C	S	.	.	H	α-helix	trans	-65.9	-43.9	175.8	-169.9	65.1	72.8	0	0	111.6	S457 G458 F463 A464 V465 L484 P488 Y659	S457-M461 PolarHBondContact O-N 3.09Å; G458-M461 PolarHBondContact O-N 3.35Å; M461-F463 VanDerWaalsContact C-N 3.27Å; M461-F463 PolarHBondContact O-N 3.14Å; M461-A464 PolarHBondContact O-N 3.16Å; M461-A464 VanDerWaalsContact O-N 3.13Å; M461-A464 HydrophobicContact SD-CB 4.44Å; M461-V465 HydrophobicContact CG-CG2 4.2Å; M461-V465 WeakPolarHBondContact O-CB 3.29Å; M461-V465 WeakPolarHBondContact O-CG2 3.49Å; M461-V465 PolarHBondContact O-N 3.37Å; M461-V465 HydrophobicContact SD-CG2 4.4Å; M461-L484 WeakPolarHBondContact CB-O 3.42Å; M461-L484 HydrophobicContact CG-CB 4.36Å; M461-L484 HydrophobicContact CG-CD2 4.34Å; M461-L484 WeakPolarHBondContact CG-O 3.26Å; M461-L484 HydrophobicContact SD-CD2 4.09Å; M461-P488 HydrophobicContact CE-CB 4.35Å; M461-P488 HydrophobicContact CE-CG 3.69Å; M461-Y659 HydrophobicContact SD-CD2 3.83Å; M461-Y659 HydrophobicContact SD-CG 4.18Å
462	L	96.1	Very high	94.3	Very high	29 Å²	29	44.9 Å²	44.9	15%	0.152	27%	0.269	C	S	.	.	H	α-helix	trans	-56.6	-43	175	174.7	63.7	0	0	0	111.4	G458 A459 S466 Y485 E617 K618 C621	G458-L462 WeakPolarHBondContact O-CB 3.42Å; G458-L462 PolarHBondContact O-N 2.92Å; A459-L462 PolarHBondContact O-N 2.9Å; L462-S466 VanDerWaalsContact O-CB 3.29Å; L462-S466 WeakPolarHBondContact O-CB 3.33Å; L462-S466 PolarHBondContact O-N 2.8Å; L462-S466 PolarHBondContact O-OG 2.8Å; L462-Y485 HydrophobicContact CB-CE1 4.36Å; L462-E617 HydrophobicContact CD1-CB 3.53Å; L462-K618 HydrophobicContact CD2-CG 3.92Å; L462-C621 HydrophobicContact CD2-CB 4.44Å
463	F	96.3	Very high	94	Very high	144 Å²	144	39.6 Å²	39.6	63%	0.632	24%	0.241	S	C	*	.	H	α-helix	trans	-63.6	-47.9	174.3	179.3	-101.1	0	0	0	111.3	A459 V460 M461 V465 S466 V467	A459-F463 WeakPolarHBondContact O-CB 3.39Å; A459-F463 PolarHBondContact O-N 3.12Å; V460-F463 PolarHBondContact O-N 3.07Å; M461-F463 VanDerWaalsContact C-N 3.27Å; M461-F463 PolarHBondContact O-N 3.14Å; F463-V465 PolarHBondContact O-N 2.79Å; F463-S466 CarbonylContact O-C 3.52Å; F463-S466 WeakPolarHBondContact O-CA 2.92Å; F463-S466 WeakPolarHBondContact O-CB 3.22Å; F463-S466 PolarHBondContact O-N 2.98Å; F463-V467 HydrophobicContact CD1-CG2 3.98Å; F463-V467 HydrophobicContact CD2-CG2 4.33Å; F463-V467 HydrophobicContact CE1-CG2 3.56Å; F463-V467 HydrophobicContact CE2-CG2 3.94Å; F463-V467 HydrophobicContact CG-CG2 4.35Å; F463-V467 HydrophobicContact CZ-CG2 3.54Å; F463-V467 WeakPolarHBondContact O-CG2 3.45Å; F463-V467 PolarHBondContact O-N 2.89Å
464	A	95.1	Very high	93.8	Very high	19 Å²	19	38.9 Å²	38.9	16%	0.157	23%	0.234	C	C	.	.	H	α-helix	trans	-60	-43.2	179.2	0	0	0	0	0	112.5	V460 M461 S466 Y659	V460-A464 VanDerWaalsContact O-CB 3.32Å; V460-A464 WeakPolarHBondContact O-CB 3.49Å; V460-A464 PolarHBondContact O-N 3.38Å; M461-A464 PolarHBondContact O-N 3.16Å; M461-A464 VanDerWaalsContact O-N 3.13Å; M461-A464 HydrophobicContact SD-CB 4.44Å; A464-S466 VanDerWaalsContact C-N 3.31Å; A464-Y659 HydrophobicContact CB-CD2 4.32Å; A464-Y659 HydrophobicContact CB-CE1 4.27Å; A464-Y659 HydrophobicContact CB-CE2 3.68Å; A464-Y659 WeakPolarHBondContact O-CE2 3.48Å; A464-Y659 PolarHBondContact O-OH 3.39Å
465	V	93.3	Very high	93.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-40.4	173.1	167.7	0	0	0	0	110.8	M461 F463 G469 N470 Y471 L484	M461-V465 HydrophobicContact CG-CG2 4.2Å; M461-V465 WeakPolarHBondContact O-CB 3.29Å; M461-V465 WeakPolarHBondContact O-CG2 3.49Å; M461-V465 PolarHBondContact O-N 3.37Å; M461-V465 HydrophobicContact SD-CG2 4.4Å; F463-V465 PolarHBondContact O-N 2.79Å; V465-G469 PolarHBondContact O-N 3.18Å; V465-N470 HydrophobicContact CG1-CB 4.14Å; V465-N470 VanDerWaalsContact CG1-O 3.32Å; V465-N470 WeakPolarHBondContact CG1-O 3.25Å; V465-N470 PolarHBondContact O-N 2.82Å; V465-Y471 HydrophobicContact CG1-CD1 4.43Å; V465-L484 HydrophobicContact CG2-CD2 4.42Å
466	S	92	Very high	92.8	Very high	37 Å²	37	35.5 Å²	35.5	26%	0.259	21%	0.213	S	C	.	.	H	α-helix	trans	-69.3	-38.7	179.9	-62	0	0	0	0	113.5	L462 F463 A464 L468 G469 Y471	L462-S466 VanDerWaalsContact O-CB 3.29Å; L462-S466 WeakPolarHBondContact O-CB 3.33Å; L462-S466 PolarHBondContact O-N 2.8Å; L462-S466 PolarHBondContact O-OG 2.8Å; F463-S466 CarbonylContact O-C 3.52Å; F463-S466 WeakPolarHBondContact O-CA 2.92Å; F463-S466 WeakPolarHBondContact O-CB 3.22Å; F463-S466 PolarHBondContact O-N 2.98Å; A464-S466 VanDerWaalsContact C-N 3.31Å; S466-L468 PolarHBondContact O-N 3.39Å; S466-G469 PolarHBondContact O-N 2.85Å; S466-Y471 PolarHBondContact O-OH 2.72Å
467	V	91.2	Very high	92.3	Very high	93 Å²	93	36.1 Å²	36.1	56%	0.564	20%	0.204	S	C	*	.	H	α-helix	trans	-62.4	-41.4	-177.6	168.2	0	0	0	0	111.9	F463	F463-V467 HydrophobicContact CD1-CG2 3.98Å; F463-V467 HydrophobicContact CD2-CG2 4.33Å; F463-V467 HydrophobicContact CE1-CG2 3.56Å; F463-V467 HydrophobicContact CE2-CG2 3.94Å; F463-V467 HydrophobicContact CG-CG2 4.35Å; F463-V467 HydrophobicContact CZ-CG2 3.54Å; F463-V467 WeakPolarHBondContact O-CG2 3.45Å; F463-V467 PolarHBondContact O-N 2.89Å
468	L	87.1	Confident	91.9	Very high	83 Å²	83	35.5 Å²	35.5	44%	0.435	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-0.6	179.1	-63.1	-177.4	0	0	0	113.4	S466 N470 Y659 S663	S466-L468 PolarHBondContact O-N 3.39Å; L468-N470 VanDerWaalsContact C-N 3.3Å; L468-N470 PolarHBondContact O-N 3.08Å; L468-Y659 VanDerWaalsContact CD1-OH 3.27Å; L468-Y659 WeakPolarHBondContact CD1-OH 3.4Å; L468-S663 WeakPolarHBondContact CD1-OG 3.35Å
469	G	86.2	Confident	91.4	Very high	21 Å²	21	40.4 Å²	40.4	22%	0.216	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	28.6	-178.9	0	0	0	0	0	113.9	V465 S466 Y471 R714	V465-G469 PolarHBondContact O-N 3.18Å; S466-G469 PolarHBondContact O-N 2.85Å; G469-Y471 PolarHBondContact O-N 2.96Å; G469-R714 PolarHBondContact O-NH1 2.6Å
470	N	86.7	Confident	91.2	Very high	19 Å²	19	38 Å²	38	10%	0.102	20%	0.203	C	C	.	.			trans	-76.8	39.6	179	-66.9	-27	0	0	0	112.4	V465 L468 V473 I662 S663	V465-N470 HydrophobicContact CG1-CB 4.14Å; V465-N470 VanDerWaalsContact CG1-O 3.32Å; V465-N470 WeakPolarHBondContact CG1-O 3.25Å; V465-N470 PolarHBondContact O-N 2.82Å; L468-N470 VanDerWaalsContact C-N 3.3Å; L468-N470 PolarHBondContact O-N 3.08Å; N470-V473 HydrophobicContact CB-CG2 4.25Å; N470-V473 VanDerWaalsContact O-CG2 3.3Å; N470-V473 WeakPolarHBondContact O-CG2 3.18Å; N470-I662 HydrophobicContact CB-CD1 4.4Å; N470-S663 PolarHBondContact ND2-OG 3.22Å
471	Y	90.1	Very high	91	Very high	44 Å²	44	33.5 Å²	33.5	17%	0.173	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	143.1	-179.6	-55.1	-56	0	0	0	111.7	V465 S466 G469 V473 E617 P670 M713 R714	V465-Y471 HydrophobicContact CG1-CD1 4.43Å; S466-Y471 PolarHBondContact O-OH 2.72Å; G469-Y471 PolarHBondContact O-N 2.96Å; Y471-V473 VanDerWaalsContact C-N 3.32Å; Y471-V473 PolarHBondContact O-N 3.36Å; Y471-E617 WeakPolarHBondContact CA-OE1 3.43Å; Y471-E617 HydrophobicContact CD1-CG 3.64Å; Y471-E617 HydrophobicContact CE1-CG 4.29Å; Y471-P670 WeakPolarHBondContact O-CB 3.07Å; Y471-M713 HydrophobicContact CD1-CE 4.44Å; Y471-M713 HydrophobicContact CE1-CE 4.39Å; Y471-R714 PolarHBondContact O-NH1 3.34Å
472	L	91.4	Very high	90.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	18.9	173.3	-53.1	176.8	0	0	0	115.2	W474 Y475 A616 E617 P670 F671 D712 M713 R714	L472-W474 HydrophobicContact CD2-CH2 3.57Å; L472-W474 HydrophobicContact CD2-CZ2 3.32Å; L472-W474 HydrophobicContact CD2-CZ3 4.46Å; L472-W474 PolarHBondContact O-N 3.11Å; L472-W474 VanDerWaalsContact O-N 3.09Å; L472-Y475 VanDerWaalsContact O-CB 3.25Å; L472-Y475 WeakPolarHBondContact O-CB 3.27Å; L472-Y475 PolarHBondContact O-N 2.74Å; L472-A616 HydrophobicContact CD2-CB 4.24Å; L472-E617 PolarHBondContact N-OE1 3.47Å; L472-P670 VanDerWaalsContact C-CB 3.42Å; L472-P670 HydrophobicContact CB-CB 3.74Å; L472-P670 WeakPolarHBondContact O-CB 3.4Å; L472-F671 HydrophobicContact CD1-CE1 4.44Å; L472-F671 HydrophobicContact CD1-CZ 4.08Å; L472-D712 HydrophobicContact CD1-CB 3.99Å; L472-M713 HydrophobicContact CD1-CB 4.48Å; L472-R714 HydrophobicContact CD1-CG 4.18Å
473	V	92.3	Very high	90.9	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-52.1	-36.7	176	174.6	0	0	0	0	111.3	N470 Y471 Y475 G476 R477 A480 L484 I662 G668	N470-V473 HydrophobicContact CB-CG2 4.25Å; N470-V473 VanDerWaalsContact O-CG2 3.3Å; N470-V473 WeakPolarHBondContact O-CG2 3.18Å; Y471-V473 VanDerWaalsContact C-N 3.32Å; Y471-V473 PolarHBondContact O-N 3.36Å; V473-Y475 VanDerWaalsContact C-N 3.28Å; V473-Y475 PolarHBondContact O-N 3.23Å; V473-G476 PolarHBondContact O-N 3.25Å; V473-R477 PolarHBondContact O-N 3.44Å; V473-R477 VanDerWaalsContact O-N 3.09Å; V473-A480 HydrophobicContact CG1-CB 4.03Å; V473-L484 HydrophobicContact CB-CD1 4.42Å; V473-I662 HydrophobicContact CG1-CB 4.44Å; V473-I662 HydrophobicContact CG1-CD1 4.49Å; V473-I662 HydrophobicContact CG1-CG2 4.05Å; V473-I662 HydrophobicContact CG2-CD1 4.18Å; V473-G668 WeakPolarHBondContact CG2-O 3.26Å
474	W	92.7	Very high	90.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-69.2	-18.6	177.3	50.4	-100	0	0	0	115	L472 R477 S478 A480 L481 V604 L607 A608 A616 E617 V620	L472-W474 HydrophobicContact CD2-CH2 3.57Å; L472-W474 HydrophobicContact CD2-CZ2 3.32Å; L472-W474 HydrophobicContact CD2-CZ3 4.46Å; L472-W474 PolarHBondContact O-N 3.11Å; L472-W474 VanDerWaalsContact O-N 3.09Å; W474-R477 VanDerWaalsContact CA-O 3.29Å; W474-R477 WeakPolarHBondContact CA-O 3.39Å; W474-R477 CarbonylContact O-C 3.59Å; W474-S478 VanDerWaalsContact O-CA 3.24Å; W474-S478 WeakPolarHBondContact O-CA 2.87Å; W474-S478 PolarHBondContact O-N 3.06Å; W474-S478 VanDerWaalsContact O-N 3.13Å; W474-A480 HydrophobicContact CB-CB 4.25Å; W474-L481 HydrophobicContact CB-CD2 3.35Å; W474-L481 HydrophobicContact CB-CG 3.66Å; W474-L481 HydrophobicContact CD2-CD2 4.03Å; W474-L481 HydrophobicContact CG-CD2 3.46Å; W474-L481 VanDerWaalsContact CG-CD2 3.46Å; W474-L481 HydrophobicContact CG-CG 4.28Å; W474-V604 HydrophobicContact CE3-CB 4.16Å; W474-V604 HydrophobicContact CE3-CG1 3.72Å; W474-V604 HydrophobicContact CE3-CG2 3.85Å; W474-V604 HydrophobicContact CZ3-CB 4.17Å; W474-V604 HydrophobicContact CZ3-CG1 3.88Å; W474-V604 HydrophobicContact CZ3-CG2 4.22Å; W474-V604 WeakPolarHBondContact CZ3-O 3.21Å; W474-L607 HydrophobicContact CH2-CB 3.98Å; W474-A608 HydrophobicContact CH2-CB 4.44Å; W474-A608 HydrophobicContact CZ3-CB 4.35Å; W474-A616 HydrophobicContact CH2-CB 4.21Å; W474-A616 HydrophobicContact CZ2-CB 4Å; W474-E617 VanDerWaalsContact NE1-CD 3.26Å; W474-E617 PolarHBondContact NE1-OE1 3.14Å; W474-E617 PolarHBondContact NE1-OE2 3.46Å; W474-V620 HydrophobicContact CD2-CG2 4.48Å; W474-V620 HydrophobicContact CH2-CG2 4.07Å; W474-V620 HydrophobicContact CZ2-CG2 3.75Å
475	Y	91.3	Very high	90.8	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.016	15%	0.15	C	C	.	.	H	α-helix	trans	-69.1	-45.1	170.9	179.4	-109.3	0	0	0	110.3	Y330 L472 V473 R477 V604 A608 F671 R679 L680	Y330-Y475 AromaticContact CD1-CD2 3.9Å; Y330-Y475 HydrophobicContact CD1-CD2 3.9Å; Y330-Y475 HydrophobicContact CD1-CE1 4.46Å; Y330-Y475 AromaticContact CD1-CE2 3.36Å; Y330-Y475 HydrophobicContact CD1-CE2 3.36Å; Y330-Y475 AromaticContact CD1-CZ 3.69Å; Y330-Y475 AromaticContact CE1-CD2 3.65Å; Y330-Y475 HydrophobicContact CE1-CD2 3.65Å; Y330-Y475 AromaticContact CE1-CE2 3.63Å; Y330-Y475 HydrophobicContact CE1-CE2 3.63Å; Y330-Y475 HydrophobicContact CE1-CG 4.35Å; Y330-Y475 WeakPolarHBondContact CE1-O 3.05Å; L472-Y475 VanDerWaalsContact O-CB 3.25Å; L472-Y475 WeakPolarHBondContact O-CB 3.27Å; L472-Y475 PolarHBondContact O-N 2.74Å; V473-Y475 VanDerWaalsContact C-N 3.28Å; V473-Y475 PolarHBondContact O-N 3.23Å; Y475-R477 VanDerWaalsContact C-N 3.28Å; Y475-R477 PolarHBondContact O-N 2.99Å; Y475-V604 HydrophobicContact CD2-CG1 4.25Å; Y475-A608 HydrophobicContact CD1-CB 4.43Å; Y475-A608 HydrophobicContact CD2-CB 3.08Å; Y475-A608 HydrophobicContact CE2-CB 3.47Å; Y475-A608 VanDerWaalsContact CE2-CB 3.47Å; Y475-A608 HydrophobicContact CG-CB 3.62Å; Y475-F671 AromaticContact CD1-CD1 3.69Å; Y475-F671 HydrophobicContact CD1-CD1 3.69Å; Y475-F671 AromaticContact CD1-CE1 3.86Å; Y475-F671 HydrophobicContact CD1-CE1 3.86Å; Y475-F671 AromaticContact CE1-CD1 3.81Å; Y475-F671 HydrophobicContact CE1-CD1 3.81Å; Y475-F671 HydrophobicContact CE1-CE1 4.08Å; Y475-R679 HydrophobicContact CE1-CB 4.36Å; Y475-R679 WeakPolarHBondContact O-CD 3.25Å; Y475-L680 PolarHBondContact OH-O 3.34Å
476	G	85.7	Confident	91	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.9	-31.4	174.7	0	0	0	0	0	112.3	V473 P670 R679	V473-G476 PolarHBondContact O-N 3.25Å; G476-P670 WeakPolarHBondContact CA-O 3.38Å; G476-P670 PolarHBondContact N-O 2.81Å; G476-R679 WeakPolarHBondContact O-CD 3.28Å; G476-R679 PolarHBondContact O-NH1 3.03Å
477	R	87.7	Confident	91.2	Very high	65 Å²	65	27 Å²	27	25%	0.245	14%	0.143	C	C	.	.			trans	-147.1	95	-176.8	-62.1	-174.9	-177.4	-179.7	3.5	110.9	V473 W474 Y475 E479 A480 Y667	V473-R477 PolarHBondContact O-N 3.44Å; V473-R477 VanDerWaalsContact O-N 3.09Å; W474-R477 VanDerWaalsContact CA-O 3.29Å; W474-R477 WeakPolarHBondContact CA-O 3.39Å; W474-R477 CarbonylContact O-C 3.59Å; Y475-R477 VanDerWaalsContact C-N 3.28Å; Y475-R477 PolarHBondContact O-N 2.99Å; R477-E479 PolarHBondContact O-N 3.35Å; R477-A480 WeakPolarHBondContact O-CB 3.5Å; R477-A480 PolarHBondContact O-N 2.93Å; R477-Y667 VanDerWaalsContact NH1-CG 3.29Å
478	S	87.7	Confident	91.5	Very high	22 Å²	22	23.2 Å²	23.2	15%	0.154	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.8	-176.5	60.2	0	0	0	0	113.4	W474 A480 L481	W474-S478 VanDerWaalsContact O-CA 3.24Å; W474-S478 WeakPolarHBondContact O-CA 2.87Å; W474-S478 PolarHBondContact O-N 3.06Å; W474-S478 VanDerWaalsContact O-N 3.13Å; S478-A480 PolarHBondContact O-N 3.38Å; S478-L481 VanDerWaalsContact O-CB 3.32Å; S478-L481 WeakPolarHBondContact O-CB 3.32Å; S478-L481 VanDerWaalsContact O-CG 3.32Å; S478-L481 WeakPolarHBondContact O-CG 3.32Å; S478-L481 PolarHBondContact O-N 3.2Å
479	E	87.1	Confident	92	Very high	102 Å²	102	19.2 Å²	19.2	48%	0.477	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-26.1	173.4	-53.1	81.4	-179.3	0	0	112.7	R477 L481 L482	R477-E479 PolarHBondContact O-N 3.35Å; E479-L481 PolarHBondContact O-N 2.89Å; E479-L481 VanDerWaalsContact O-N 3.17Å; E479-L482 WeakPolarHBondContact O-CB 3.45Å; E479-L482 PolarHBondContact O-N 3.45Å
480	A	92.7	Very high	92.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.3	-25.9	177.5	0	0	0	0	0	112.4	V473 W474 R477 S478 L482 S483 L484 Y658	V473-A480 HydrophobicContact CG1-CB 4.03Å; W474-A480 HydrophobicContact CB-CB 4.25Å; R477-A480 WeakPolarHBondContact O-CB 3.5Å; R477-A480 PolarHBondContact O-N 2.93Å; S478-A480 PolarHBondContact O-N 3.38Å; A480-L482 VanDerWaalsContact C-N 3.25Å; A480-L482 PolarHBondContact O-N 2.81Å; A480-S483 PolarHBondContact O-N 3.24Å; A480-L484 HydrophobicContact CB-CD1 4.14Å; A480-L484 VanDerWaalsContact O-CB 3.26Å; A480-L484 WeakPolarHBondContact O-CB 3.39Å; A480-L484 VanDerWaalsContact O-CG 3.25Å; A480-L484 WeakPolarHBondContact O-CG 3.37Å; A480-L484 PolarHBondContact O-N 2.97Å; A480-Y658 VanDerWaalsContact CA-OH 3.25Å; A480-Y658 WeakPolarHBondContact CA-OH 3.42Å; A480-Y658 HydrophobicContact CB-CE1 4.15Å; A480-Y658 WeakPolarHBondContact CB-OH 3.17Å
481	L	93.2	Very high	93.1	Very high	5 Å²	5	18.9 Å²	18.9	3%	0.026	9%	0.094	C	C	.	.	H	α-helix	trans	-55.9	-41.5	173.9	-68.1	-176.3	0	0	0	112.6	W474 S478 E479 Y485 V486 Y596 V604 V620	W474-L481 HydrophobicContact CB-CD2 3.35Å; W474-L481 HydrophobicContact CB-CG 3.66Å; W474-L481 HydrophobicContact CD2-CD2 4.03Å; W474-L481 HydrophobicContact CG-CD2 3.46Å; W474-L481 VanDerWaalsContact CG-CD2 3.46Å; W474-L481 HydrophobicContact CG-CG 4.28Å; S478-L481 VanDerWaalsContact O-CB 3.32Å; S478-L481 WeakPolarHBondContact O-CB 3.32Å; S478-L481 VanDerWaalsContact O-CG 3.32Å; S478-L481 WeakPolarHBondContact O-CG 3.32Å; S478-L481 PolarHBondContact O-N 3.2Å; E479-L481 PolarHBondContact O-N 2.89Å; E479-L481 VanDerWaalsContact O-N 3.17Å; L481-Y485 HydrophobicContact CD2-CD2 4.28Å; L481-Y485 PolarHBondContact O-N 3.26Å; L481-V486 PolarHBondContact O-N 2.82Å; L481-Y596 WeakPolarHBondContact CB-OH 3.05Å; L481-V604 HydrophobicContact CD1-CG2 3.56Å; L481-V604 HydrophobicContact CG-CG2 4.48Å; L481-V620 HydrophobicContact CD2-CB 4.45Å; L481-V620 HydrophobicContact CD2-CG1 3.04Å; L481-V620 HydrophobicContact CG-CG1 4.43Å
482	L	93.6	Very high	93.4	Very high	82 Å²	82	17.4 Å²	17.4	43%	0.429	9%	0.092	S	C	.	.	I	π-helix	trans	-65.2	-46.8	179	-179.5	62.2	0	0	0	109.8	E479 A480 V486 A487 Y596	E479-L482 WeakPolarHBondContact O-CB 3.45Å; E479-L482 PolarHBondContact O-N 3.45Å; A480-L482 VanDerWaalsContact C-N 3.25Å; A480-L482 PolarHBondContact O-N 2.81Å; L482-V486 HydrophobicContact CD1-CB 3.74Å; L482-V486 HydrophobicContact CD1-CG1 3.75Å; L482-V486 HydrophobicContact CD1-CG2 4.34Å; L482-V486 PolarHBondContact O-N 2.94Å; L482-A487 VanDerWaalsContact O-CB 3.23Å; L482-A487 WeakPolarHBondContact O-CB 3.47Å; L482-A487 PolarHBondContact O-N 2.98Å; L482-Y596 PolarHBondContact N-OH 2.76Å
483	S	94.9	Very high	93.7	Very high	5 Å²	5	17.4 Å²	17.4	4%	0.035	9%	0.092	C	C	.	.	I	π-helix	trans	-73	-31.4	-176.4	-48.1	0	0	0	0	113.7	A480 P488 Y654 Y658	A480-S483 PolarHBondContact O-N 3.24Å; S483-P488 WeakPolarHBondContact O-CD 3.37Å; S483-P488 WeakPolarHBondContact O-CG 3.47Å; S483-Y654 PolarHBondContact OG-OH 3.3Å; S483-Y658 VanDerWaalsContact CB-CD1 3.47Å
484	L	95.1	Very high	93.9	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	9%	0.092	C	C	.	.	I	π-helix	trans	-91.4	-40.8	-177	-64.9	174.5	0	0	0	112.8	M461 V465 V473 A480 P488 Y658 I662	M461-L484 WeakPolarHBondContact CB-O 3.42Å; M461-L484 HydrophobicContact CG-CB 4.36Å; M461-L484 HydrophobicContact CG-CD2 4.34Å; M461-L484 WeakPolarHBondContact CG-O 3.26Å; M461-L484 HydrophobicContact SD-CD2 4.09Å; V465-L484 HydrophobicContact CG2-CD2 4.42Å; V473-L484 HydrophobicContact CB-CD1 4.42Å; A480-L484 HydrophobicContact CB-CD1 4.14Å; A480-L484 VanDerWaalsContact O-CB 3.26Å; A480-L484 WeakPolarHBondContact O-CB 3.39Å; A480-L484 VanDerWaalsContact O-CG 3.25Å; A480-L484 WeakPolarHBondContact O-CG 3.37Å; A480-L484 PolarHBondContact O-N 2.97Å; L484-P488 VanDerWaalsContact O-CG 3.24Å; L484-P488 WeakPolarHBondContact O-CG 3.35Å; L484-Y658 HydrophobicContact CD2-CD1 3.95Å; L484-Y658 HydrophobicContact CD2-CE1 4.1Å; L484-Y658 HydrophobicContact CG-CD1 4.31Å; L484-Y658 HydrophobicContact CG-CE1 4.04Å; L484-I662 HydrophobicContact CD1-CD1 4.13Å; L484-I662 HydrophobicContact CD2-CD1 3.66Å
485	Y	96	Very high	94.1	Very high	1 Å²	1	19.2 Å²	19.2	0%	0.004	11%	0.105	C	C	.	.	I	π-helix	trans	-116.1	-40.1	-170.5	-62.6	-58.6	0	0	0	113.3	L462 L481 A489 E617 V620 C621	L462-Y485 HydrophobicContact CB-CE1 4.36Å; L481-Y485 HydrophobicContact CD2-CD2 4.28Å; L481-Y485 PolarHBondContact O-N 3.26Å; Y485-A489 VanDerWaalsContact O-CB 3.24Å; Y485-A489 WeakPolarHBondContact O-CB 3.49Å; Y485-E617 PolarHBondContact OH-OE2 2.86Å; Y485-V620 HydrophobicContact CD2-CG1 3.63Å; Y485-V620 HydrophobicContact CE2-CB 4.48Å; Y485-V620 HydrophobicContact CE2-CG1 3.74Å; Y485-C621 HydrophobicContact CD1-CB 3.68Å; Y485-C621 HydrophobicContact CE1-CB 3.66Å; Y485-C621 HydrophobicContact CG-CB 4.3Å
486	V	96.7	Very high	94.4	Very high	10 Å²	10	20.3 Å²	20.3	6%	0.061	11%	0.112	C	C	.	.	I	π-helix	trans	-78.2	-51.7	-177.4	-178.1	0	0	0	0	111.7	L481 L482 A489 L490 Y596 T627 A628	L481-V486 PolarHBondContact O-N 2.82Å; L482-V486 HydrophobicContact CD1-CB 3.74Å; L482-V486 HydrophobicContact CD1-CG1 3.75Å; L482-V486 HydrophobicContact CD1-CG2 4.34Å; L482-V486 PolarHBondContact O-N 2.94Å; V486-A489 PolarHBondContact O-N 3.26Å; V486-L490 VanDerWaalsContact O-CB 3.25Å; V486-L490 WeakPolarHBondContact O-CB 3.49Å; V486-L490 PolarHBondContact O-N 2.68Å; V486-Y596 HydrophobicContact CG2-CE2 3.75Å; V486-T627 HydrophobicContact CG1-CG2 4.49Å; V486-A628 HydrophobicContact CG1-CB 4.17Å; V486-A628 VanDerWaalsContact O-CB 3.29Å; V486-A628 WeakPolarHBondContact O-CB 3.23Å
487	A	96.5	Very high	94.9	Very high	8 Å²	8	20.3 Å²	20.3	7%	0.066	11%	0.112	C	C	.	.	H	α-helix	trans	-65.5	-43.8	-175.5	0	0	0	0	0	113.4	L482 L490 C491 L651	L482-A487 VanDerWaalsContact O-CB 3.23Å; L482-A487 WeakPolarHBondContact O-CB 3.47Å; L482-A487 PolarHBondContact O-N 2.98Å; A487-L490 PolarHBondContact O-N 2.67Å; A487-C491 VanDerWaalsContact O-CB 3.25Å; A487-C491 WeakPolarHBondContact O-CB 3.45Å; A487-C491 PolarHBondContact O-N 2.83Å; A487-L651 HydrophobicContact CB-CD1 4.02Å
488	P	97.5	Very high	95.2	Very high	14 Å²	14	19 Å²	19	9%	0.091	11%	0.107	C	C	.	.	H	α-helix	trans	-64.5	-43.9	175.9	-26.3	39	0	0	0	112.6	S457 M461 S483 L484 C491 G492 C655	S457-P488 VanDerWaalsContact CB-O 3.23Å; S457-P488 WeakPolarHBondContact CB-O 3.41Å; M461-P488 HydrophobicContact CE-CB 4.35Å; M461-P488 HydrophobicContact CE-CG 3.69Å; S483-P488 WeakPolarHBondContact O-CD 3.37Å; S483-P488 WeakPolarHBondContact O-CG 3.47Å; L484-P488 VanDerWaalsContact O-CG 3.24Å; L484-P488 WeakPolarHBondContact O-CG 3.35Å; P488-C491 PolarHBondContact O-N 3.22Å; P488-G492 PolarHBondContact O-N 3.45Å; P488-C655 HydrophobicContact CG-CB 3.94Å
489	A	98	Very high	95.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.3	-44.4	176.6	0	0	0	0	0	111.6	S454 Y485 V486 C491 G492 G493 T625 A628	S454-A489 WeakPolarHBondContact CA-O 3.48Å; S454-A489 WeakPolarHBondContact CB-O 3.35Å; S454-A489 PolarHBondContact OG-O 2.76Å; S454-A489 VanDerWaalsContact OG-O 3.09Å; Y485-A489 VanDerWaalsContact O-CB 3.24Å; Y485-A489 WeakPolarHBondContact O-CB 3.49Å; V486-A489 PolarHBondContact O-N 3.26Å; A489-C491 VanDerWaalsContact C-N 3.34Å; A489-C491 PolarHBondContact O-N 3.44Å; A489-G492 PolarHBondContact O-N 2.87Å; A489-G493 PolarHBondContact O-N 3.25Å; A489-G493 VanDerWaalsContact O-N 3.08Å; A489-T625 HydrophobicContact CB-CG2 4.22Å; A489-A628 HydrophobicContact CB-CB 3.52Å
490	L	97.4	Very high	95.7	Very high	22 Å²	22	20 Å²	20	12%	0.115	11%	0.112	C	C	.	.	H	α-helix	trans	-62.4	-42.5	176.8	-178.2	62.9	0	0	0	111.4	V486 A487 G493 L494 A628 A631 M632	V486-L490 VanDerWaalsContact O-CB 3.25Å; V486-L490 WeakPolarHBondContact O-CB 3.49Å; V486-L490 PolarHBondContact O-N 2.68Å; A487-L490 PolarHBondContact O-N 2.67Å; L490-G493 PolarHBondContact O-N 3.44Å; L490-L494 HydrophobicContact CD1-CD1 3.79Å; L490-L494 HydrophobicContact CD1-CG 4.04Å; L490-L494 HydrophobicContact CG-CD1 3.91Å; L490-L494 HydrophobicContact CG-CG 4.45Å; L490-L494 WeakPolarHBondContact O-CB 3.24Å; L490-L494 WeakPolarHBondContact O-CG 3.41Å; L490-L494 PolarHBondContact O-N 3.14Å; L490-A628 HydrophobicContact CB-CB 4.13Å; L490-A631 HydrophobicContact CD1-CB 4.1Å; L490-M632 HydrophobicContact CD1-CB 3.87Å
491	C	97.4	Very high	95.7	Very high	11 Å²	11	20.1 Å²	20.1	7%	0.074	11%	0.113	C	C	.	.	H	α-helix	trans	-61.3	-44.7	176.6	-172.4	0	0	0	0	111.5	A487 P488 A489 S495 L648 L651	A487-C491 VanDerWaalsContact O-CB 3.25Å; A487-C491 WeakPolarHBondContact O-CB 3.45Å; A487-C491 PolarHBondContact O-N 2.83Å; P488-C491 PolarHBondContact O-N 3.22Å; A489-C491 VanDerWaalsContact C-N 3.34Å; A489-C491 PolarHBondContact O-N 3.44Å; C491-S495 WeakPolarHBondContact O-CB 3.21Å; C491-S495 PolarHBondContact O-N 3.2Å; C491-S495 PolarHBondContact O-OG 2.66Å; C491-L648 PolarHBondContact SG-O 2.74Å; C491-L651 HydrophobicContact CB-CD2 3.87Å; C491-L651 HydrophobicContact CB-CG 4.27Å
492	G	97.2	Very high	95.5	Very high	12 Å²	12	26.3 Å²	26.3	12%	0.124	14%	0.136	C	C	.	.	H	α-helix	trans	-56.9	-53.1	176.4	0	0	0	0	0	112.5	S457 P488 A489 S495 V496	S457-G492 VanDerWaalsContact OG-CA 3.31Å; S457-G492 WeakPolarHBondContact OG-CA 3.35Å; P488-G492 PolarHBondContact O-N 3.45Å; A489-G492 PolarHBondContact O-N 2.87Å; G492-S495 PolarHBondContact O-N 2.79Å; G492-V496 PolarHBondContact O-N 3.37Å
493	G	97.5	Very high	95.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.4	-46.9	-179.9	0	0	0	0	0	114.2	A450 S454 A489 L490 S495 V496 H497 M632	A450-G493 WeakPolarHBondContact O-CA 3.4Å; S454-G493 VanDerWaalsContact OG-CA 3.29Å; S454-G493 WeakPolarHBondContact OG-CA 3.32Å; S454-G493 PolarHBondContact OG-N 2.98Å; A489-G493 PolarHBondContact O-N 3.25Å; A489-G493 VanDerWaalsContact O-N 3.08Å; L490-G493 PolarHBondContact O-N 3.44Å; G493-S495 VanDerWaalsContact C-N 3.33Å; G493-S495 PolarHBondContact O-N 2.84Å; G493-V496 PolarHBondContact O-N 3.21Å; G493-H497 PolarHBondContact O-N 3.03Å; G493-M632 WeakPolarHBondContact CA-SD 3.37Å
494	L	97.2	Very high	94.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-69.1	-30	179.5	-67.7	179.2	0	0	0	113	L490 V496 H497 Y498 M632 M635 V639 W647 L648	L490-L494 HydrophobicContact CD1-CD1 3.79Å; L490-L494 HydrophobicContact CD1-CG 4.04Å; L490-L494 HydrophobicContact CG-CD1 3.91Å; L490-L494 HydrophobicContact CG-CG 4.45Å; L490-L494 WeakPolarHBondContact O-CB 3.24Å; L490-L494 WeakPolarHBondContact O-CG 3.41Å; L490-L494 PolarHBondContact O-N 3.14Å; L494-V496 VanDerWaalsContact C-N 3.34Å; L494-H497 PolarHBondContact O-N 3.25Å; L494-Y498 WeakPolarHBondContact O-CB 3.4Å; L494-Y498 PolarHBondContact O-N 3.07Å; L494-M632 HydrophobicContact CD2-CG 4Å; L494-M632 HydrophobicContact CG-CG 4.3Å; L494-M635 HydrophobicContact CD1-SD 4.23Å; L494-M635 HydrophobicContact CD2-CB 3.96Å; L494-V639 HydrophobicContact CD2-CG2 4.01Å; L494-W647 HydrophobicContact CD1-CH2 3.56Å; L494-W647 HydrophobicContact CD1-CZ2 4.09Å; L494-L648 HydrophobicContact CB-CD1 4.17Å; L494-L648 HydrophobicContact CB-CD2 3.74Å; L494-L648 HydrophobicContact CD1-CD2 4.16Å
495	S	96.2	Very high	93.6	Very high	40 Å²	40	32.2 Å²	32.2	28%	0.28	15%	0.151	S	C	.	.	H	α-helix	trans	-64.3	-38.9	174.3	-65.2	0	0	0	0	111.7	C491 G492 G493 Y498 L499	C491-S495 WeakPolarHBondContact O-CB 3.21Å; C491-S495 PolarHBondContact O-N 3.2Å; C491-S495 PolarHBondContact O-OG 2.66Å; G492-S495 PolarHBondContact O-N 2.79Å; G493-S495 VanDerWaalsContact C-N 3.33Å; G493-S495 PolarHBondContact O-N 2.84Å; S495-Y498 PolarHBondContact O-N 2.72Å; S495-L499 WeakPolarHBondContact O-CG 3.29Å; S495-L499 PolarHBondContact O-N 2.52Å
496	V	96.3	Very high	92.5	Very high	27 Å²	27	39.8 Å²	39.8	16%	0.164	19%	0.191	C	C	.	.	H	α-helix	trans	-62.9	-47.8	173.9	175.6	0	0	0	0	110.7	L449 A450 G492 G493 L494 Y498 L499 F500	L449-V496 HydrophobicContact CB-CG1 3.76Å; A450-V496 HydrophobicContact CB-CB 4.06Å; A450-V496 HydrophobicContact CB-CG1 4.13Å; G492-V496 PolarHBondContact O-N 3.37Å; G493-V496 PolarHBondContact O-N 3.21Å; L494-V496 VanDerWaalsContact C-N 3.34Å; V496-Y498 VanDerWaalsContact C-N 3.26Å; V496-Y498 PolarHBondContact O-N 3.42Å; V496-L499 PolarHBondContact O-N 3.23Å; V496-L499 VanDerWaalsContact O-N 3.14Å; V496-F500 HydrophobicContact CG1-CD2 3.99Å; V496-F500 HydrophobicContact CG1-CE2 4.09Å; V496-F500 WeakPolarHBondContact O-CD2 3.4Å; V496-F500 PolarHBondContact O-N 3.37Å
497	H	96.2	Very high	91.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.1	-36.9	175.3	-80.9	-65	0	0	0	112.7	A450 G493 L494 F500 S501 V639 Y640	A450-H497 WeakPolarHBondContact CB-NE2 3.38Å; G493-H497 PolarHBondContact O-N 3.03Å; L494-H497 PolarHBondContact O-N 3.25Å; H497-F500 PolarHBondContact O-N 3.08Å; H497-S501 WeakPolarHBondContact O-CB 3.09Å; H497-S501 PolarHBondContact O-N 3.06Å; H497-V639 HydrophobicContact CB-CB 4.39Å; H497-V639 HydrophobicContact CB-CG1 4.27Å; H497-V639 HydrophobicContact CB-CG2 4.5Å; H497-Y640 HydrophobicContact CB-CE2 4.33Å; H497-Y640 AromaticContact ND1-CE2 3.66Å
498	Y	94.9	Very high	90.7	Very high	37 Å²	37	48.6 Å²	48.6	15%	0.145	23%	0.228	C	C	.	.	H	α-helix	trans	-66.2	-41.3	174.9	174.9	-114.1	0	0	0	112.6	L494 S495 V496 F500 S501 R502 V639 M645	L494-Y498 WeakPolarHBondContact O-CB 3.4Å; L494-Y498 PolarHBondContact O-N 3.07Å; S495-Y498 PolarHBondContact O-N 2.72Å; V496-Y498 VanDerWaalsContact C-N 3.26Å; V496-Y498 PolarHBondContact O-N 3.42Å; Y498-F500 VanDerWaalsContact C-N 3.33Å; Y498-F500 PolarHBondContact O-N 2.91Å; Y498-S501 PolarHBondContact O-N 3.39Å; Y498-S501 PolarHBondContact O-OG 3.42Å; Y498-R502 HydrophobicContact CE1-CG 4.45Å; Y498-R502 HydrophobicContact CE2-CG 4.12Å; Y498-R502 WeakPolarHBondContact O-CG 3.49Å; Y498-R502 PolarHBondContact O-N 2.8Å; Y498-R502 VanDerWaalsContact O-N 3.1Å; Y498-V639 HydrophobicContact CD2-CG1 4.49Å; Y498-M645 HydrophobicContact CD2-CB 3.68Å; Y498-M645 HydrophobicContact CD2-CG 3.35Å; Y498-M645 HydrophobicContact CE2-CB 3.83Å; Y498-M645 HydrophobicContact CE2-CG 3.74Å; Y498-M645 HydrophobicContact CG-CB 4.05Å; Y498-M645 HydrophobicContact CG-CG 4.03Å
499	L	93.3	Very high	89.9	Confident	111 Å²	111	48.9 Å²	48.9	58%	0.581	23%	0.232	S	C	*	.	H	α-helix	trans	-62.4	-41.8	175.4	-69.2	174.5	0	0	0	111.7	S495 V496	S495-L499 WeakPolarHBondContact O-CG 3.29Å; S495-L499 PolarHBondContact O-N 2.52Å; V496-L499 PolarHBondContact O-N 3.23Å; V496-L499 VanDerWaalsContact O-N 3.14Å
500	F	92.7	Very high	89.1	Confident	33 Å²	33	55.9 Å²	55.9	15%	0.145	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-45	173.1	-91.3	-96	0	0	0	111.9	K445 A446 L449 V496 H497 Y498 R502 R503 F504 Y640	K445-F500 HydrophobicContact CB-CE1 4.49Å; K445-F500 HydrophobicContact CB-CZ 4.35Å; A446-F500 HydrophobicContact CB-CB 4.29Å; A446-F500 HydrophobicContact CB-CD1 3.75Å; A446-F500 HydrophobicContact CB-CD2 3.99Å; A446-F500 HydrophobicContact CB-CE1 4Å; A446-F500 HydrophobicContact CB-CE2 4.24Å; A446-F500 HydrophobicContact CB-CG 3.73Å; A446-F500 HydrophobicContact CB-CZ 4.25Å; L449-F500 HydrophobicContact CD1-CE2 3.71Å; L449-F500 HydrophobicContact CD1-CZ 3.79Å; V496-F500 HydrophobicContact CG1-CD2 3.99Å; V496-F500 HydrophobicContact CG1-CE2 4.09Å; V496-F500 WeakPolarHBondContact O-CD2 3.4Å; V496-F500 PolarHBondContact O-N 3.37Å; H497-F500 PolarHBondContact O-N 3.08Å; Y498-F500 VanDerWaalsContact C-N 3.33Å; Y498-F500 PolarHBondContact O-N 2.91Å; F500-R502 VanDerWaalsContact C-N 3.29Å; F500-R502 PolarHBondContact O-N 3.31Å; F500-R503 WeakPolarHBondContact O-CB 3.49Å; F500-R503 PolarHBondContact O-N 3.17Å; F500-R503 VanDerWaalsContact O-N 3.09Å; F500-F504 HydrophobicContact CB-CE2 4.38Å; F500-F504 HydrophobicContact CD1-CE2 4.18Å; F500-F504 HydrophobicContact CD1-CZ 4.44Å; F500-F504 WeakPolarHBondContact O-CD2 3.33Å; F500-F504 WeakPolarHBondContact O-CE2 3.35Å; F500-Y640 HydrophobicContact CB-CE1 4.49Å
501	S	92.1	Very high	88.6	Confident	3 Å²	3	57.8 Å²	57.8	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-60.9	-38.6	-178.7	78.1	0	0	0	0	112	H497 Y498 R503 F504 R505	H497-S501 WeakPolarHBondContact O-CB 3.09Å; H497-S501 PolarHBondContact O-N 3.06Å; Y498-S501 PolarHBondContact O-N 3.39Å; Y498-S501 PolarHBondContact O-OG 3.42Å; S501-R503 VanDerWaalsContact C-N 3.27Å; S501-R503 PolarHBondContact O-N 3.02Å; S501-F504 PolarHBondContact O-N 3.42Å; S501-R505 WeakPolarHBondContact O-CG 3.49Å; S501-R505 PolarHBondContact O-N 2.92Å
502	R	89.5	Confident	88.1	Confident	135 Å²	135	57.4 Å²	57.4	51%	0.509	27%	0.268	S	S	.	.	H	α-helix	trans	-56.9	-36.7	175.5	-69.3	-177.7	96.3	-167	4.7	113.3	Y498 F500 F504	Y498-R502 HydrophobicContact CE1-CG 4.45Å; Y498-R502 HydrophobicContact CE2-CG 4.12Å; Y498-R502 WeakPolarHBondContact O-CG 3.49Å; Y498-R502 PolarHBondContact O-N 2.8Å; Y498-R502 VanDerWaalsContact O-N 3.1Å; F500-R502 VanDerWaalsContact C-N 3.29Å; F500-R502 PolarHBondContact O-N 3.31Å; R502-F504 PolarHBondContact O-N 2.74Å
503	R	86.2	Confident	87.7	Confident	165 Å²	165	57.7 Å²	57.7	62%	0.623	27%	0.267	S	S	*	.	H	α-helix	trans	-61.7	-32.9	176.4	-173.1	178.6	179.3	160.2	0.3	111.9	F500 S501	F500-R503 WeakPolarHBondContact O-CB 3.49Å; F500-R503 PolarHBondContact O-N 3.17Å; F500-R503 VanDerWaalsContact O-N 3.09Å; S501-R503 VanDerWaalsContact C-N 3.27Å; S501-R503 PolarHBondContact O-N 3.02Å
504	F	80.4	Confident	87.4	Confident	3 Å²	3	58 Å²	58	1%	0.013	27%	0.269	C	S	.	.	H	α-helix	trans	-93.7	-21.7	-175.7	-54.8	-55.9	0	0	0	113.9	D442 F500 S501 R502 L506 R507 Y515 Y640	D442-F504 HydrophobicContact CB-CZ 4.13Å; F500-F504 HydrophobicContact CB-CE2 4.38Å; F500-F504 HydrophobicContact CD1-CE2 4.18Å; F500-F504 HydrophobicContact CD1-CZ 4.44Å; F500-F504 WeakPolarHBondContact O-CD2 3.33Å; F500-F504 WeakPolarHBondContact O-CE2 3.35Å; S501-F504 PolarHBondContact O-N 3.42Å; R502-F504 PolarHBondContact O-N 2.74Å; F504-L506 PolarHBondContact O-N 3.19Å; F504-L506 VanDerWaalsContact O-N 3.15Å; F504-R507 VanDerWaalsContact O-CB 3.29Å; F504-R507 WeakPolarHBondContact O-CB 3Å; F504-R507 PolarHBondContact O-N 2.87Å; F504-Y515 HydrophobicContact CB-CD2 4.09Å; F504-Y515 HydrophobicContact CB-CE2 4.45Å; F504-Y515 HydrophobicContact CB-CG 4.44Å; F504-Y515 HydrophobicContact CD1-CD1 4.18Å; F504-Y515 AromaticContact CD1-CD2 3.76Å; F504-Y515 HydrophobicContact CD1-CD2 3.76Å; F504-Y515 AromaticContact CD1-CE1 3.79Å; F504-Y515 HydrophobicContact CD1-CE1 3.79Å; F504-Y515 AromaticContact CD1-CE2 3.34Å; F504-Y515 HydrophobicContact CD1-CE2 3.34Å; F504-Y515 HydrophobicContact CD1-CG 4.16Å; F504-Y515 AromaticContact CD1-CZ 3.35Å; F504-Y515 AromaticContact CD2-CD1 3.98Å; F504-Y515 HydrophobicContact CD2-CD1 3.98Å; F504-Y515 HydrophobicContact CD2-CD2 4.38Å; F504-Y515 HydrophobicContact CD2-CE1 4.26Å; F504-Y515 HydrophobicContact CD2-CG 4.05Å; F504-Y515 HydrophobicContact CE1-CD1 4.03Å; F504-Y515 HydrophobicContact CE1-CD2 4.31Å; F504-Y515 AromaticContact CE1-CE1 3.32Å; F504-Y515 HydrophobicContact CE1-CE1 3.32Å; F504-Y515 AromaticContact CE1-CE2 3.67Å; F504-Y515 HydrophobicContact CE1-CE2 3.67Å; F504-Y515 HydrophobicContact CE1-CG 4.47Å; F504-Y515 AromaticContact CE1-CZ 3.1Å; F504-Y515 WeakPolarHBondContact CE1-OH 3.15Å; F504-Y515 AromaticContact CE2-CD1 3.79Å; F504-Y515 HydrophobicContact CE2-CD1 3.79Å; F504-Y515 AromaticContact CE2-CE1 3.81Å; F504-Y515 HydrophobicContact CE2-CE1 3.81Å; F504-Y515 HydrophobicContact CE2-CG 4.34Å; F504-Y515 HydrophobicContact CG-CD1 4.16Å; F504-Y515 AromaticContact CG-CD2 3.81Å; F504-Y515 HydrophobicContact CG-CD2 3.81Å; F504-Y515 HydrophobicContact CG-CE1 4.24Å; F504-Y515 AromaticContact CG-CE2 3.91Å; F504-Y515 HydrophobicContact CG-CE2 3.91Å; F504-Y515 AromaticContact CG-CG 3.95Å; F504-Y515 HydrophobicContact CG-CG 3.95Å; F504-Y515 AromaticContact CZ-CD1 3.82Å; F504-Y515 HydrophobicContact CZ-CD1 3.82Å; F504-Y515 AromaticContact CZ-CE1 3.32Å; F504-Y515 HydrophobicContact CZ-CE1 3.32Å; F504-Y515 HydrophobicContact CZ-CE2 4.43Å; F504-Y515 AromaticContact CZ-CZ 3.68Å; F504-Y640 HydrophobicContact CD2-CD1 4.33Å; F504-Y640 AromaticContact CD2-CE1 3.85Å; F504-Y640 HydrophobicContact CD2-CE1 3.85Å; F504-Y640 HydrophobicContact CE2-CE1 4.09Å
505	R	77.3	Confident	87.1	Confident	44 Å²	44	58.2 Å²	58.2	17%	0.166	27%	0.27	C	S	.	.	H	α-helix	trans	-62.3	-19.4	175	-66.5	-169.6	-163.5	167.4	-1.4	114.2	Y34 S501 R507 S642 D643	Y34-R505 HydrophobicContact CE1-CG 3.85Å; Y34-R505 WeakPolarHBondContact OH-CB 3.04Å; Y34-R505 WeakPolarHBondContact OH-CG 3.02Å; S501-R505 WeakPolarHBondContact O-CG 3.49Å; S501-R505 PolarHBondContact O-N 2.92Å; R505-R507 PolarHBondContact O-N 3.13Å; R505-S642 PolarHBondContact NH2-O 3.35Å; R505-D643 IonicContact CZ-OD1 2.86Å; R505-D643 IonicContact NH1-OD1 3.82Å; R505-D643 PolarHBondContact NH1-OD1 3.34Å
506	L	72.1	Confident	86.9	Confident	161 Å²	161	56.4 Å²	56.4	84%	0.843	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-5.9	173.2	-61.7	175.1	0	0	0	112.8	F504	F504-L506 PolarHBondContact O-N 3.19Å; F504-L506 VanDerWaalsContact O-N 3.15Å
507	R	73.5	Confident	86.8	Confident	112 Å²	112	55.2 Å²	55.2	42%	0.423	25%	0.249	S	C	.	.	S	Bend	trans	-97.2	168.9	177.4	-59.9	-169.5	172.8	179.8	4.6	111.3	F504 R505 Q511 Y515	F504-R507 VanDerWaalsContact O-CB 3.29Å; F504-R507 WeakPolarHBondContact O-CB 3Å; F504-R507 PolarHBondContact O-N 2.87Å; R505-R507 PolarHBondContact O-N 3.13Å; R507-Q511 HydrophobicContact CB-CB 3.82Å; R507-Q511 HydrophobicContact CB-CG 4.3Å; R507-Y515 PolarHBondContact NH1-OH 3.46Å
508	D	80.8	Confident	86.7	Confident	90 Å²	90	55.2 Å²	55.2	48%	0.481	25%	0.249	S	C	.	.			trans	-51.2	147	175.3	-178.6	22.6	0	0	0	112.6	K510 Q511 V512	D508-K510 PolarHBondContact O-N 3.39Å; D508-K510 VanDerWaalsContact O-N 3.13Å; D508-Q511 HydrophobicContact CB-CG 4.26Å; D508-Q511 WeakPolarHBondContact O-CA 3.24Å; D508-Q511 VanDerWaalsContact O-CB 3.31Å; D508-Q511 WeakPolarHBondContact O-CB 3.33Å; D508-Q511 PolarHBondContact O-N 3.33Å; D508-V512 PolarHBondContact O-N 3.48Å
509	A	80.9	Confident	86.7	Confident	20 Å²	20	53.5 Å²	53.5	17%	0.165	24%	0.243	C	C	.	.	H	α-helix	trans	-50.6	-39.3	179.6	0	0	0	0	0	112.3	L32 Q511 V512 L513	L32-A509 HydrophobicContact CB-CB 3.75Å; L32-A509 HydrophobicContact CD1-CB 4.3Å; A509-Q511 VanDerWaalsContact C-N 3.32Å; A509-Q511 PolarHBondContact O-N 3.19Å; A509-V512 PolarHBondContact O-N 2.88Å; A509-L513 WeakPolarHBondContact O-CB 2.91Å; A509-L513 WeakPolarHBondContact O-CG 3.21Å; A509-L513 PolarHBondContact O-N 2.75Å
510	K	82	Confident	86.8	Confident	148 Å²	148	48.3 Å²	48.3	64%	0.643	22%	0.215	S	C	*	.	H	α-helix	trans	-62.6	-37.1	176.2	-172.2	175.4	-179.7	176.7	0	112.5	D508 L513 V514	D508-K510 PolarHBondContact O-N 3.39Å; D508-K510 VanDerWaalsContact O-N 3.13Å; K510-L513 WeakPolarHBondContact O-CB 3.38Å; K510-L513 PolarHBondContact O-N 3.21Å; K510-V514 VanDerWaalsContact O-CG2 3.3Å; K510-V514 WeakPolarHBondContact O-CG2 3.43Å; K510-V514 PolarHBondContact O-N 2.71Å; K510-V514 VanDerWaalsContact O-N 3.08Å
511	Q	85.8	Confident	86.9	Confident	62 Å²	62	46.8 Å²	46.8	29%	0.29	21%	0.209	S	C	.	.	H	α-helix	trans	-70.1	-43.1	-179.3	-68.6	-71.7	-44	0	0	111.7	H439 R507 D508 A509 L513 V514 Y515	H439-Q511 PolarHBondContact NE2-OE1 3.3Å; R507-Q511 HydrophobicContact CB-CB 3.82Å; R507-Q511 HydrophobicContact CB-CG 4.3Å; D508-Q511 HydrophobicContact CB-CG 4.26Å; D508-Q511 WeakPolarHBondContact O-CA 3.24Å; D508-Q511 VanDerWaalsContact O-CB 3.31Å; D508-Q511 WeakPolarHBondContact O-CB 3.33Å; D508-Q511 PolarHBondContact O-N 3.33Å; A509-Q511 VanDerWaalsContact C-N 3.32Å; A509-Q511 PolarHBondContact O-N 3.19Å; Q511-L513 PolarHBondContact O-N 3.15Å; Q511-V514 WeakPolarHBondContact O-CB 3Å; Q511-V514 PolarHBondContact O-N 2.68Å; Q511-Y515 WeakPolarHBondContact O-CD2 3.37Å; Q511-Y515 PolarHBondContact O-N 3.36Å
512	V	88.1	Confident	87.1	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.012	21%	0.208	C	C	.	.	H	α-helix	trans	-55.5	-44.2	176.1	176	0	0	0	0	110.8	L32 Y34 D508 A509 V514 Y515 E516 Y640	L32-V512 HydrophobicContact CD2-CB 3.9Å; L32-V512 HydrophobicContact CD2-CG1 3.7Å; L32-V512 HydrophobicContact CD2-CG2 4.44Å; Y34-V512 HydrophobicContact CE1-CG1 4.23Å; D508-V512 PolarHBondContact O-N 3.48Å; A509-V512 PolarHBondContact O-N 2.88Å; V512-V514 PolarHBondContact O-N 2.75Å; V512-Y515 PolarHBondContact O-N 3.41Å; V512-E516 PolarHBondContact O-N 3.36Å; V512-Y640 WeakPolarHBondContact CG1-O 3.11Å
513	L	89.4	Confident	87.4	Confident	18 Å²	18	40.4 Å²	40.4	9%	0.094	19%	0.185	C	C	.	.	H	α-helix	trans	-67.4	-29.4	178.2	-80.7	-175.5	0	0	0	113.9	L32 R433 A509 K510 Q511 Q517 T574 I577 I641	L32-L513 HydrophobicContact CD1-CD1 4.05Å; L32-L513 HydrophobicContact CD1-CD2 4.44Å; L32-L513 HydrophobicContact CD1-CG 4.19Å; R433-L513 WeakPolarHBondContact CD-O 3.19Å; R433-L513 VanDerWaalsContact CZ-CB 3.44Å; R433-L513 PolarHBondContact NH1-O 3.44Å; A509-L513 WeakPolarHBondContact O-CB 2.91Å; A509-L513 WeakPolarHBondContact O-CG 3.21Å; A509-L513 PolarHBondContact O-N 2.75Å; K510-L513 WeakPolarHBondContact O-CB 3.38Å; K510-L513 PolarHBondContact O-N 3.21Å; Q511-L513 PolarHBondContact O-N 3.15Å; L513-Q517 PolarHBondContact O-N 3.11Å; L513-T574 HydrophobicContact CD2-CG2 4.35Å; L513-I577 HydrophobicContact CD2-CD1 3.84Å; L513-I641 HydrophobicContact CD2-CG2 4.34Å
514	V	90.3	Very high	88	Confident	8 Å²	8	32.6 Å²	32.6	5%	0.048	16%	0.155	C	C	.	.	H	α-helix	trans	-73.2	-42.9	170.8	171	0	0	0	0	110.8	R433 K510 Q511 V512 Q517 C518	R433-V514 HydrophobicContact CB-CG2 4Å; K510-V514 VanDerWaalsContact O-CG2 3.3Å; K510-V514 WeakPolarHBondContact O-CG2 3.43Å; K510-V514 PolarHBondContact O-N 2.71Å; K510-V514 VanDerWaalsContact O-N 3.08Å; Q511-V514 WeakPolarHBondContact O-CB 3Å; Q511-V514 PolarHBondContact O-N 2.68Å; V512-V514 PolarHBondContact O-N 2.75Å; V514-Q517 PolarHBondContact O-N 3.19Å; V514-C518 WeakPolarHBondContact O-CB 3.45Å; V514-C518 PolarHBondContact O-N 3.24Å
515	Y	90.6	Very high	88.7	Confident	4 Å²	4	34.3 Å²	34.3	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-63.3	-42.2	177.1	-87.2	-75.7	0	0	0	112.1	H439 D442 F504 R507 Q511 V512 Q517 C518 V519	H439-Y515 HydrophobicContact CB-CE1 4.4Å; H439-Y515 AromaticContact CD2-CD1 3.91Å; H439-Y515 AromaticContact CD2-CD2 3.77Å; H439-Y515 AromaticContact CD2-CE1 3.61Å; H439-Y515 AromaticContact CD2-CE2 3.44Å; H439-Y515 VanDerWaalsContact CD2-CE2 3.44Å; H439-Y515 WeakPolarHBondContact CD2-CE2 3.4Å; H439-Y515 AromaticContact CD2-CG 3.99Å; H439-Y515 AromaticContact CD2-CZ 3.36Å; H439-Y515 AromaticContact NE2-CE2 3.68Å; H439-Y515 AromaticContact NE2-CZ 3.93Å; D442-Y515 HydrophobicContact CB-CE1 3.96Å; D442-Y515 PolarHBondContact OD2-OH 2.89Å; F504-Y515 HydrophobicContact CB-CD2 4.09Å; F504-Y515 HydrophobicContact CB-CE2 4.45Å; F504-Y515 HydrophobicContact CB-CG 4.44Å; F504-Y515 HydrophobicContact CD1-CD1 4.18Å; F504-Y515 AromaticContact CD1-CD2 3.76Å; F504-Y515 HydrophobicContact CD1-CD2 3.76Å; F504-Y515 AromaticContact CD1-CE1 3.79Å; F504-Y515 HydrophobicContact CD1-CE1 3.79Å; F504-Y515 AromaticContact CD1-CE2 3.34Å; F504-Y515 HydrophobicContact CD1-CE2 3.34Å; F504-Y515 HydrophobicContact CD1-CG 4.16Å; F504-Y515 AromaticContact CD1-CZ 3.35Å; F504-Y515 AromaticContact CD2-CD1 3.98Å; F504-Y515 HydrophobicContact CD2-CD1 3.98Å; F504-Y515 HydrophobicContact CD2-CD2 4.38Å; F504-Y515 HydrophobicContact CD2-CE1 4.26Å; F504-Y515 HydrophobicContact CD2-CG 4.05Å; F504-Y515 HydrophobicContact CE1-CD1 4.03Å; F504-Y515 HydrophobicContact CE1-CD2 4.31Å; F504-Y515 AromaticContact CE1-CE1 3.32Å; F504-Y515 HydrophobicContact CE1-CE1 3.32Å; F504-Y515 AromaticContact CE1-CE2 3.67Å; F504-Y515 HydrophobicContact CE1-CE2 3.67Å; F504-Y515 HydrophobicContact CE1-CG 4.47Å; F504-Y515 AromaticContact CE1-CZ 3.1Å; F504-Y515 WeakPolarHBondContact CE1-OH 3.15Å; F504-Y515 AromaticContact CE2-CD1 3.79Å; F504-Y515 HydrophobicContact CE2-CD1 3.79Å; F504-Y515 AromaticContact CE2-CE1 3.81Å; F504-Y515 HydrophobicContact CE2-CE1 3.81Å; F504-Y515 HydrophobicContact CE2-CG 4.34Å; F504-Y515 HydrophobicContact CG-CD1 4.16Å; F504-Y515 AromaticContact CG-CD2 3.81Å; F504-Y515 HydrophobicContact CG-CD2 3.81Å; F504-Y515 HydrophobicContact CG-CE1 4.24Å; F504-Y515 AromaticContact CG-CE2 3.91Å; F504-Y515 HydrophobicContact CG-CE2 3.91Å; F504-Y515 AromaticContact CG-CG 3.95Å; F504-Y515 HydrophobicContact CG-CG 3.95Å; F504-Y515 AromaticContact CZ-CD1 3.82Å; F504-Y515 HydrophobicContact CZ-CD1 3.82Å; F504-Y515 AromaticContact CZ-CE1 3.32Å; F504-Y515 HydrophobicContact CZ-CE1 3.32Å; F504-Y515 HydrophobicContact CZ-CE2 4.43Å; F504-Y515 AromaticContact CZ-CZ 3.68Å; R507-Y515 PolarHBondContact NH1-OH 3.46Å; Q511-Y515 WeakPolarHBondContact O-CD2 3.37Å; Q511-Y515 PolarHBondContact O-N 3.36Å; V512-Y515 PolarHBondContact O-N 3.41Å; Y515-Q517 PolarHBondContact O-N 3.5Å; Y515-C518 PolarHBondContact O-N 2.94Å; Y515-V519 WeakPolarHBondContact O-CB 3.3Å; Y515-V519 WeakPolarHBondContact O-CG2 3.46Å; Y515-V519 PolarHBondContact O-N 3.07Å
516	E	93.2	Very high	89.6	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-56.5	-51.1	175.2	-175.1	-80.6	148.1	0	0	111.5	V512 C518 V519 F520 R555 T637 I641	V512-E516 PolarHBondContact O-N 3.36Å; E516-C518 VanDerWaalsContact C-N 3.32Å; E516-C518 PolarHBondContact O-N 3.16Å; E516-V519 PolarHBondContact O-N 2.93Å; E516-F520 PolarHBondContact O-N 3.06Å; E516-R555 IonicContact OE1-CZ 3.86Å; E516-R555 IonicContact OE1-NH1 3.55Å; E516-R555 PolarHBondContact OE1-NH1 2.82Å; E516-R555 IonicContact OE1-NH2 3.13Å; E516-R555 PolarHBondContact OE1-NH2 3.33Å; E516-R555 IonicContact OE2-CZ 2.71Å; E516-R555 IonicContact OE2-NH2 2.85Å; E516-R555 PolarHBondContact OE2-NH2 3.43Å; E516-T637 VanDerWaalsContact CD-OG1 3.28Å; E516-T637 WeakPolarHBondContact CG-OG1 3.45Å; E516-T637 PolarHBondContact O-OG1 3.26Å; E516-T637 VanDerWaalsContact O-OG1 3.09Å; E516-T637 PolarHBondContact OE1-OG1 3.4Å; E516-I641 HydrophobicContact CB-CG2 4.1Å; E516-I641 HydrophobicContact CG-CG2 3.74Å
517	Q	92.7	Very high	90.8	Very high	3 Å²	3	27.2 Å²	27.2	1%	0.014	13%	0.132	C	C	.	.	H	α-helix	trans	-63.3	-38.7	177.7	-174.5	-177.4	-37	0	0	112	W431 R433 L513 V514 Y515 F520 N521 F556	W431-Q517 PolarHBondContact O-OE1 2.84Å; R433-Q517 PolarHBondContact O-NE2 2.82Å; R433-Q517 PolarHBondContact O-OE1 3.42Å; L513-Q517 PolarHBondContact O-N 3.11Å; V514-Q517 PolarHBondContact O-N 3.19Å; Y515-Q517 PolarHBondContact O-N 3.5Å; Q517-F520 PolarHBondContact O-N 2.89Å; Q517-N521 WeakPolarHBondContact O-CB 3.41Å; Q517-N521 PolarHBondContact O-N 3.37Å; Q517-F556 HydrophobicContact CG-CZ 4.5Å
518	C	94	Very high	91.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-66	-39	177.8	-169.2	0	0	0	0	111.9	Y435 H439 S443 V514 Y515 E516 C522	Y435-C518 HydrophobicContact CD1-CB 3.9Å; Y435-C518 HydrophobicContact CG-CB 4.01Å; H439-C518 HydrophobicContact CB-CB 4.26Å; H439-C518 PolarHBondContact O-SG 2.95Å; S443-C518 PolarHBondContact OG-O 2.77Å; V514-C518 WeakPolarHBondContact O-CB 3.45Å; V514-C518 PolarHBondContact O-N 3.24Å; Y515-C518 PolarHBondContact O-N 2.94Å; E516-C518 VanDerWaalsContact C-N 3.32Å; E516-C518 PolarHBondContact O-N 3.16Å; C518-C522 WeakPolarHBondContact O-CB 3.47Å; C518-C522 PolarHBondContact O-N 3.32Å; C518-C522 PolarHBondContact O-SG 3.36Å
519	V	95.2	Very high	92.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.9	-51.8	173.5	169.8	0	0	0	0	110.2	S443 H447 Y515 E516 N521 C522 T523 A636 Y640	S443-V519 VanDerWaalsContact OG-CA 3.3Å; S443-V519 WeakPolarHBondContact OG-CA 3.12Å; H447-V519 PolarHBondContact CE1-O 2.84Å; H447-V519 VanDerWaalsContact CE1-O 3.31Å; Y515-V519 WeakPolarHBondContact O-CB 3.3Å; Y515-V519 WeakPolarHBondContact O-CG2 3.46Å; Y515-V519 PolarHBondContact O-N 3.07Å; E516-V519 PolarHBondContact O-N 2.93Å; V519-N521 PolarHBondContact O-N 3.28Å; V519-C522 PolarHBondContact O-N 3.28Å; V519-T523 PolarHBondContact O-N 3.21Å; V519-T523 PolarHBondContact O-OG1 3.4Å; V519-A636 HydrophobicContact CG1-CB 4.4Å; V519-Y640 HydrophobicContact CB-CD2 4.34Å; V519-Y640 HydrophobicContact CB-CE2 4.1Å; V519-Y640 HydrophobicContact CG1-CD2 4.09Å; V519-Y640 HydrophobicContact CG1-CE2 3.71Å; V519-Y640 HydrophobicContact CG2-CD1 4.4Å; V519-Y640 HydrophobicContact CG2-CD2 4.06Å; V519-Y640 HydrophobicContact CG2-CE1 3.93Å; V519-Y640 HydrophobicContact CG2-CE2 3.54Å; V519-Y640 HydrophobicContact CG2-CG 4.46Å; V519-Y640 VanDerWaalsContact CG2-CZ 3.45Å
520	F	95.8	Very high	93.4	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.009	12%	0.121	C	C	.	.	H	α-helix	trans	-55.5	-49.4	176	178.5	-104.9	0	0	0	112.9	E516 Q517 C522 T523 L524 L552 R555 F556 H581 T637	E516-F520 PolarHBondContact O-N 3.06Å; Q517-F520 PolarHBondContact O-N 2.89Å; F520-C522 VanDerWaalsContact C-N 3.3Å; F520-C522 PolarHBondContact O-N 2.94Å; F520-T523 WeakPolarHBondContact O-CA 3.23Å; F520-T523 VanDerWaalsContact O-CB 3.25Å; F520-T523 WeakPolarHBondContact O-CB 3.49Å; F520-T523 PolarHBondContact O-N 3.23Å; F520-T523 VanDerWaalsContact O-N 3.1Å; F520-L524 HydrophobicContact CD1-CD1 4.18Å; F520-L524 HydrophobicContact CD1-CG 4.48Å; F520-L524 HydrophobicContact CE1-CD1 3.64Å; F520-L524 HydrophobicContact CE1-CD2 4.44Å; F520-L524 HydrophobicContact CE1-CG 4.09Å; F520-L524 HydrophobicContact CZ-CD1 4.1Å; F520-L524 HydrophobicContact CZ-CD2 4.08Å; F520-L524 HydrophobicContact CZ-CG 4.2Å; F520-L524 PolarHBondContact O-N 3.44Å; F520-L552 HydrophobicContact CE2-CB 4.48Å; F520-L552 HydrophobicContact CE2-CD2 3.97Å; F520-L552 HydrophobicContact CZ-CB 4.36Å; F520-L552 WeakPolarHBondContact CZ-O 3.43Å; F520-R555 VanDerWaalsContact CB-NH1 3.3Å; F520-R555 HydrophobicContact CZ-CB 3.96Å; F520-R555 VanDerWaalsContact CZ-CD 3.46Å; F520-R555 HydrophobicContact CZ-CG 4.33Å; F520-F556 HydrophobicContact CD1-CE2 4.14Å; F520-F556 HydrophobicContact CD1-CZ 4.19Å; F520-F556 HydrophobicContact CE1-CD2 4.32Å; F520-F556 AromaticContact CE1-CE2 3.63Å; F520-F556 HydrophobicContact CE1-CE2 3.63Å; F520-F556 HydrophobicContact CE1-CZ 4.11Å; F520-H581 AromaticContact CE2-ND1 3.96Å; F520-T637 HydrophobicContact CD2-CG2 4.23Å
521	N	95.4	Very high	94.1	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-64.6	-34.7	180	-78.6	8.4	0	0	0	112	F411 Y435 Q517 V519 L524 V525 F556	F411-N521 HydrophobicContact CD2-CB 4.05Å; Y435-N521 HydrophobicContact CE1-CB 4.2Å; Y435-N521 WeakPolarHBondContact CE1-ND2 3.36Å; Y435-N521 PolarHBondContact OH-ND2 3.17Å; Q517-N521 WeakPolarHBondContact O-CB 3.41Å; Q517-N521 PolarHBondContact O-N 3.37Å; V519-N521 PolarHBondContact O-N 3.28Å; N521-L524 PolarHBondContact O-N 3.04Å; N521-V525 WeakPolarHBondContact O-CG2 3.38Å; N521-V525 PolarHBondContact O-N 3.43Å; N521-V525 VanDerWaalsContact O-N 3.09Å; N521-F556 WeakPolarHBondContact OD1-CZ 3.26Å
522	C	96.2	Very high	94.6	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.007	10%	0.101	C	C	.	.	H	α-helix	trans	-69.4	-36.1	172.3	-67.3	0	0	0	0	112.2	S443 L444 C518 V519 F520 L524 V525 L526	S443-C522 VanDerWaalsContact CB-SG 3.6Å; S443-C522 WeakPolarHBondContact OG-CB 3.32Å; S443-C522 PolarHBondContact OG-SG 3.26Å; L444-C522 HydrophobicContact CD2-CB 4.35Å; C518-C522 WeakPolarHBondContact O-CB 3.47Å; C518-C522 PolarHBondContact O-N 3.32Å; C518-C522 PolarHBondContact O-SG 3.36Å; V519-C522 PolarHBondContact O-N 3.28Å; F520-C522 VanDerWaalsContact C-N 3.3Å; F520-C522 PolarHBondContact O-N 2.94Å; C522-L524 VanDerWaalsContact C-N 3.32Å; C522-L524 PolarHBondContact O-N 3.44Å; C522-V525 PolarHBondContact O-N 2.84Å; C522-L526 WeakPolarHBondContact O-CG 3.48Å; C522-L526 PolarHBondContact O-N 3.43Å
523	T	96.4	Very high	95	Very high	3 Å²	3	21 Å²	21	2%	0.018	12%	0.117	C	C	.	.	H	α-helix	trans	-57.9	-46	171.3	-56.4	0	0	0	0	110.8	H447 V519 F520 V525 L526 L527 L633	H447-T523 PolarHBondContact NE2-OG1 3.3Å; V519-T523 PolarHBondContact O-N 3.21Å; V519-T523 PolarHBondContact O-OG1 3.4Å; F520-T523 WeakPolarHBondContact O-CA 3.23Å; F520-T523 VanDerWaalsContact O-CB 3.25Å; F520-T523 WeakPolarHBondContact O-CB 3.49Å; F520-T523 PolarHBondContact O-N 3.23Å; F520-T523 VanDerWaalsContact O-N 3.1Å; T523-V525 PolarHBondContact O-N 3.28Å; T523-L526 PolarHBondContact O-N 2.92Å; T523-L527 HydrophobicContact CG2-CD1 4.08Å; T523-L527 WeakPolarHBondContact O-CG 3.17Å; T523-L527 PolarHBondContact O-N 2.95Å; T523-L633 HydrophobicContact CG2-CB 3.86Å; T523-L633 HydrophobicContact CG2-CD2 4.12Å; T523-L633 VanDerWaalsContact CG2-O 3.29Å; T523-L633 WeakPolarHBondContact CG2-O 3.35Å
524	L	97	Very high	95.3	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-58.4	-47.1	175.4	-63.7	178.4	0	0	0	111.2	T407 F520 N521 C522 L526 L527 A528 L549 L552 L553	T407-L524 HydrophobicContact CG2-CB 3.59Å; F520-L524 HydrophobicContact CD1-CD1 4.18Å; F520-L524 HydrophobicContact CD1-CG 4.48Å; F520-L524 HydrophobicContact CE1-CD1 3.64Å; F520-L524 HydrophobicContact CE1-CD2 4.44Å; F520-L524 HydrophobicContact CE1-CG 4.09Å; F520-L524 HydrophobicContact CZ-CD1 4.1Å; F520-L524 HydrophobicContact CZ-CD2 4.08Å; F520-L524 HydrophobicContact CZ-CG 4.2Å; F520-L524 PolarHBondContact O-N 3.44Å; N521-L524 PolarHBondContact O-N 3.04Å; C522-L524 VanDerWaalsContact C-N 3.32Å; C522-L524 PolarHBondContact O-N 3.44Å; L524-L526 PolarHBondContact O-N 3.44Å; L524-L527 PolarHBondContact O-N 3.1Å; L524-A528 VanDerWaalsContact O-CB 3.31Å; L524-A528 WeakPolarHBondContact O-CB 3.07Å; L524-A528 PolarHBondContact O-N 2.75Å; L524-L549 HydrophobicContact CB-CD2 4.38Å; L524-L549 HydrophobicContact CD2-CD2 3.95Å; L524-L552 HydrophobicContact CD2-CB 3.58Å; L524-L552 HydrophobicContact CD2-CD1 4.09Å; L524-L552 HydrophobicContact CD2-CG 4.44Å; L524-L553 HydrophobicContact CD1-CD2 4.12Å
525	V	96.5	Very high	95.5	Very high	38 Å²	38	21.8 Å²	21.8	23%	0.23	12%	0.122	C	C	.	.	H	α-helix	trans	-60.4	-43.3	178.1	171.3	0	0	0	0	111.8	T407 F411 N521 C522 T523 A528 V529	T407-V525 HydrophobicContact CG2-CG2 4.49Å; F411-V525 HydrophobicContact CB-CG2 3.81Å; F411-V525 HydrophobicContact CD1-CG2 4.11Å; F411-V525 HydrophobicContact CD2-CG2 3.38Å; F411-V525 HydrophobicContact CE2-CG2 3.94Å; F411-V525 HydrophobicContact CG-CG2 3.49Å; F411-V525 VanDerWaalsContact CG-CG2 3.49Å; F411-V525 HydrophobicContact CZ-CG2 4.49Å; N521-V525 WeakPolarHBondContact O-CG2 3.38Å; N521-V525 PolarHBondContact O-N 3.43Å; N521-V525 VanDerWaalsContact O-N 3.09Å; C522-V525 PolarHBondContact O-N 2.84Å; T523-V525 PolarHBondContact O-N 3.28Å; V525-A528 PolarHBondContact O-N 3.12Å; V525-V529 HydrophobicContact CG1-CG2 4.44Å; V525-V529 WeakPolarHBondContact O-CG2 2.96Å; V525-V529 PolarHBondContact O-N 3.42Å
526	L	96	Very high	95.7	Very high	56 Å²	56	29.2 Å²	29.2	29%	0.293	16%	0.155	S	C	.	.	H	α-helix	trans	-62.7	-45	178.5	-71.3	169.1	0	0	0	112	H447 C522 T523 L524 A528 V529 I530 L633	H447-L526 HydrophobicContact CB-CD1 3.51Å; H447-L526 VanDerWaalsContact CD2-CD1 3.45Å; H447-L526 WeakPolarHBondContact CD2-CD1 3.5Å; H447-L526 VanDerWaalsContact CG-CD1 3.46Å; C522-L526 WeakPolarHBondContact O-CG 3.48Å; C522-L526 PolarHBondContact O-N 3.43Å; T523-L526 PolarHBondContact O-N 2.92Å; L524-L526 PolarHBondContact O-N 3.44Å; L526-A528 VanDerWaalsContact C-N 3.31Å; L526-A528 PolarHBondContact O-N 3.2Å; L526-V529 PolarHBondContact O-N 2.87Å; L526-I530 WeakPolarHBondContact O-CG1 3.48Å; L526-I530 PolarHBondContact O-N 3.01Å; L526-I530 VanDerWaalsContact O-N 3.07Å; L526-L633 HydrophobicContact CD1-CD2 4.32Å
527	L	96.6	Very high	95.6	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-64.1	-37	174.8	-69.6	169	0	0	0	111.5	T523 L524 I530 L531 F545 I548 L549 L552 L633	T523-L527 HydrophobicContact CG2-CD1 4.08Å; T523-L527 WeakPolarHBondContact O-CG 3.17Å; T523-L527 PolarHBondContact O-N 2.95Å; L524-L527 PolarHBondContact O-N 3.1Å; L527-I530 PolarHBondContact O-N 2.93Å; L527-L531 WeakPolarHBondContact O-CB 3.36Å; L527-L531 PolarHBondContact O-N 3.49Å; L527-F545 HydrophobicContact CD2-CD1 3.9Å; L527-F545 HydrophobicContact CD2-CE1 4.15Å; L527-I548 HydrophobicContact CD1-CG2 3.98Å; L527-L549 HydrophobicContact CB-CD1 4.18Å; L527-L549 HydrophobicContact CB-CD2 3.64Å; L527-L549 HydrophobicContact CB-CG 3.87Å; L527-L549 HydrophobicContact CD1-CD2 4.26Å; L527-L552 HydrophobicContact CD1-CD1 3.47Å; L527-L552 VanDerWaalsContact CD1-CD1 3.47Å; L527-L633 HydrophobicContact CD2-CD1 3.82Å; L527-L633 HydrophobicContact CG-CD1 4.27Å
528	A	97.5	Very high	95.4	Very high	8 Å²	8	41.2 Å²	41.2	7%	0.066	21%	0.207	C	C	.	.	H	α-helix	trans	-68.5	-33.2	176.1	0	0	0	0	0	112.5	I404 T407 L524 V525 L526 L531 L532 L549	I404-A528 HydrophobicContact CG1-CB 4.32Å; T407-A528 HydrophobicContact CG2-CB 3.85Å; L524-A528 VanDerWaalsContact O-CB 3.31Å; L524-A528 WeakPolarHBondContact O-CB 3.07Å; L524-A528 PolarHBondContact O-N 2.75Å; V525-A528 PolarHBondContact O-N 3.12Å; L526-A528 VanDerWaalsContact C-N 3.31Å; L526-A528 PolarHBondContact O-N 3.2Å; A528-L531 PolarHBondContact O-N 3.32Å; A528-L532 VanDerWaalsContact O-CB 3.3Å; A528-L532 WeakPolarHBondContact O-CB 3.38Å; A528-L532 PolarHBondContact O-N 2.99Å; A528-L549 HydrophobicContact CB-CD1 4.19Å
529	V	96.7	Very high	95.2	Very high	76 Å²	76	44 Å²	44	46%	0.461	22%	0.221	S	C	.	.	H	α-helix	trans	-66.6	-43.5	171.8	170	0	0	0	0	110.7	V525 L526 L531 L532 V533	V525-V529 HydrophobicContact CG1-CG2 4.44Å; V525-V529 WeakPolarHBondContact O-CG2 2.96Å; V525-V529 PolarHBondContact O-N 3.42Å; L526-V529 PolarHBondContact O-N 2.87Å; V529-L531 VanDerWaalsContact C-N 3.32Å; V529-L531 PolarHBondContact O-N 2.78Å; V529-L532 WeakPolarHBondContact O-CB 3.48Å; V529-L532 PolarHBondContact O-N 3.35Å; V529-V533 WeakPolarHBondContact O-CG2 3.31Å; V529-V533 PolarHBondContact O-N 2.96Å
530	I	95.2	Very high	94.9	Very high	62 Å²	62	45.4 Å²	45.4	32%	0.318	23%	0.226	S	C	.	.	H	α-helix	trans	-59.5	-47.8	173.9	-65	167.2	0	0	0	109.7	L526 L527 L532 V533 L534 F545	L526-I530 WeakPolarHBondContact O-CG1 3.48Å; L526-I530 PolarHBondContact O-N 3.01Å; L526-I530 VanDerWaalsContact O-N 3.07Å; L527-I530 PolarHBondContact O-N 2.93Å; I530-L532 VanDerWaalsContact C-N 3.3Å; I530-L532 PolarHBondContact O-N 3.18Å; I530-V533 PolarHBondContact O-N 3.31Å; I530-L534 HydrophobicContact CG2-CD1 3.99Å; I530-L534 HydrophobicContact CG2-CG 4.35Å; I530-L534 WeakPolarHBondContact O-CG 3.2Å; I530-L534 PolarHBondContact O-N 2.8Å; I530-F545 HydrophobicContact CD1-CE1 4.25Å; I530-F545 HydrophobicContact CG2-CD1 4Å; I530-F545 HydrophobicContact CG2-CD2 3.86Å; I530-F545 HydrophobicContact CG2-CE1 3.87Å; I530-F545 HydrophobicContact CG2-CE2 3.71Å; I530-F545 HydrophobicContact CG2-CG 3.99Å; I530-F545 HydrophobicContact CG2-CZ 3.72Å
531	L	97.3	Very high	94.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.4	-41.9	177.1	-179.1	57.4	0	0	0	112.1	N400 I403 I404 L527 A528 V529 L534 T535 S542 F545 T546 L549	N400-L531 HydrophobicContact CB-CD1 4.2Å; N400-L531 HydrophobicContact CB-CD2 4.24Å; N400-L531 HydrophobicContact CB-CG 4.22Å; I403-L531 HydrophobicContact CG2-CD2 4.26Å; I404-L531 HydrophobicContact CD1-CB 4.5Å; I404-L531 HydrophobicContact CD1-CD2 4.32Å; I404-L531 HydrophobicContact CD1-CG 4.09Å; I404-L531 HydrophobicContact CG1-CD2 4Å; I404-L531 HydrophobicContact CG1-CG 4.24Å; L527-L531 WeakPolarHBondContact O-CB 3.36Å; L527-L531 PolarHBondContact O-N 3.49Å; A528-L531 PolarHBondContact O-N 3.32Å; V529-L531 VanDerWaalsContact C-N 3.32Å; V529-L531 PolarHBondContact O-N 2.78Å; L531-L534 PolarHBondContact O-N 2.85Å; L531-T535 VanDerWaalsContact O-CB 3.28Å; L531-T535 WeakPolarHBondContact O-CB 3.2Å; L531-T535 PolarHBondContact O-N 2.92Å; L531-T535 PolarHBondContact O-OG1 3.29Å; L531-S542 WeakPolarHBondContact CD1-O 3.27Å; L531-F545 HydrophobicContact CB-CB 4.28Å; L531-F545 HydrophobicContact CD1-CB 4.31Å; L531-T546 VanDerWaalsContact CD1-OG1 3.24Å; L531-T546 WeakPolarHBondContact CD1-OG1 3.29Å; L531-L549 HydrophobicContact CB-CD1 4.21Å; L531-L549 HydrophobicContact CD2-CD1 3.72Å
532	L	97.3	Very high	94.6	Very high	96 Å²	96	46.5 Å²	46.5	50%	0.503	23%	0.234	S	C	.	.	H	α-helix	trans	-61.5	-45.5	177	-179.4	66.5	0	0	0	111.6	I404 A528 V529 I530 T535 F536	I404-L532 HydrophobicContact CD1-CB 3.95Å; I404-L532 HydrophobicContact CD1-CD1 4.1Å; A528-L532 VanDerWaalsContact O-CB 3.3Å; A528-L532 WeakPolarHBondContact O-CB 3.38Å; A528-L532 PolarHBondContact O-N 2.99Å; V529-L532 WeakPolarHBondContact O-CB 3.48Å; V529-L532 PolarHBondContact O-N 3.35Å; I530-L532 VanDerWaalsContact C-N 3.3Å; I530-L532 PolarHBondContact O-N 3.18Å; L532-T535 PolarHBondContact O-N 2.96Å; L532-F536 WeakPolarHBondContact O-CB 3.29Å; L532-F536 PolarHBondContact O-N 2.9Å
533	V	96.6	Very high	94.4	Very high	60 Å²	60	47 Å²	47	36%	0.364	24%	0.236	S	C	.	.	H	α-helix	trans	-63.3	-46.9	178.4	172.3	0	0	0	0	111	V529 I530 T535 F536 W537	V529-V533 WeakPolarHBondContact O-CG2 3.31Å; V529-V533 PolarHBondContact O-N 2.96Å; I530-V533 PolarHBondContact O-N 3.31Å; V533-T535 VanDerWaalsContact C-N 3.32Å; V533-T535 PolarHBondContact O-N 3.22Å; V533-F536 PolarHBondContact O-N 2.59Å; V533-W537 HydrophobicContact CG1-CD2 4.26Å; V533-W537 HydrophobicContact CG1-CE3 3.83Å; V533-W537 HydrophobicContact CG1-CH2 3.89Å; V533-W537 HydrophobicContact CG1-CZ2 4.31Å; V533-W537 HydrophobicContact CG1-CZ3 3.63Å; V533-W537 PolarHBondContact O-N 2.77Å; V533-W537 VanDerWaalsContact O-N 3.12Å
534	L	94.5	Very high	94.2	Very high	28 Å²	28	48.4 Å²	48.4	15%	0.147	24%	0.241	C	C	.	.	H	α-helix	trans	-63.4	-40	178	-63.5	176.6	0	0	0	111.6	I530 L531 W537 N538 L539 F545	I530-L534 HydrophobicContact CG2-CD1 3.99Å; I530-L534 HydrophobicContact CG2-CG 4.35Å; I530-L534 WeakPolarHBondContact O-CG 3.2Å; I530-L534 PolarHBondContact O-N 2.8Å; L531-L534 PolarHBondContact O-N 2.85Å; L534-W537 PolarHBondContact O-N 2.89Å; L534-N538 PolarHBondContact O-N 2.84Å; L534-L539 HydrophobicContact CB-CB 4.37Å; L534-L539 HydrophobicContact CD2-CB 4.39Å; L534-L539 HydrophobicContact CD2-CD1 3.6Å; L534-L539 PolarHBondContact O-N 3.2Å; L534-F545 HydrophobicContact CD1-CD2 3.35Å; L534-F545 HydrophobicContact CD1-CE2 3.62Å; L534-F545 HydrophobicContact CD1-CG 4.42Å
535	T	94.7	Very high	94.1	Very high	15 Å²	15	49.9 Å²	49.9	9%	0.092	25%	0.248	C	C	.	.	H	α-helix	trans	-65.9	-40.1	176.3	-54.7	0	0	0	0	111.2	I397 N400 L531 L532 V533 W537 N538	I397-T535 HydrophobicContact CG1-CG2 4.14Å; I397-T535 HydrophobicContact CG2-CG2 4.35Å; N400-T535 HydrophobicContact CB-CG2 4.18Å; N400-T535 PolarHBondContact ND2-OG1 3.37Å; L531-T535 VanDerWaalsContact O-CB 3.28Å; L531-T535 WeakPolarHBondContact O-CB 3.2Å; L531-T535 PolarHBondContact O-N 2.92Å; L531-T535 PolarHBondContact O-OG1 3.29Å; L532-T535 PolarHBondContact O-N 2.96Å; V533-T535 VanDerWaalsContact C-N 3.32Å; V533-T535 PolarHBondContact O-N 3.22Å; T535-W537 VanDerWaalsContact C-N 3.31Å; T535-W537 PolarHBondContact O-N 2.8Å; T535-N538 PolarHBondContact O-N 3.22Å
536	F	94.2	Very high	94	Very high	161 Å²	161	48.3 Å²	48.3	71%	0.706	24%	0.238	S	C	*	.	H	α-helix	trans	-62.2	-37.5	177.8	178.5	-98	0	0	0	112.5	L532 V533 N538	L532-F536 WeakPolarHBondContact O-CB 3.29Å; L532-F536 PolarHBondContact O-N 2.9Å; V533-F536 PolarHBondContact O-N 2.59Å; F536-N538 PolarHBondContact O-N 2.82Å
537	W	91.3	Very high	93.9	Very high	166 Å²	166	47.6 Å²	47.6	63%	0.629	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	7.3	174.1	-68.7	-28.4	0	0	0	114.2	V533 L534 T535 L539	V533-W537 HydrophobicContact CG1-CD2 4.26Å; V533-W537 HydrophobicContact CG1-CE3 3.83Å; V533-W537 HydrophobicContact CG1-CH2 3.89Å; V533-W537 HydrophobicContact CG1-CZ2 4.31Å; V533-W537 HydrophobicContact CG1-CZ3 3.63Å; V533-W537 PolarHBondContact O-N 2.77Å; V533-W537 VanDerWaalsContact O-N 3.12Å; L534-W537 PolarHBondContact O-N 2.89Å; T535-W537 VanDerWaalsContact C-N 3.31Å; T535-W537 PolarHBondContact O-N 2.8Å; W537-L539 HydrophobicContact CB-CD1 4.24Å; W537-L539 HydrophobicContact CB-CG 3.95Å; W537-L539 HydrophobicContact CE3-CD1 4.07Å; W537-L539 PolarHBondContact O-N 3Å
538	N	89.2	Confident	93.8	Very high	89 Å²	89	47.5 Å²	47.5	48%	0.476	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	29.9	-175.5	-63.1	-48.9	0	0	0	113.4	L534 T535 F536 R540	L534-N538 PolarHBondContact O-N 2.84Å; T535-N538 PolarHBondContact O-N 3.22Å; F536-N538 PolarHBondContact O-N 2.82Å; N538-R540 PolarHBondContact O-N 3.25Å
539	L	88.8	Confident	93.7	Very high	58 Å²	58	47.1 Å²	47.1	30%	0.304	23%	0.229	S	C	.	.			trans	-74.8	119.3	176.2	-65.2	178.2	0	0	0	109.1	L534 W537 S541 S542	L534-L539 HydrophobicContact CB-CB 4.37Å; L534-L539 HydrophobicContact CD2-CB 4.39Å; L534-L539 HydrophobicContact CD2-CD1 3.6Å; L534-L539 PolarHBondContact O-N 3.2Å; W537-L539 HydrophobicContact CB-CD1 4.24Å; W537-L539 HydrophobicContact CB-CG 3.95Å; W537-L539 HydrophobicContact CE3-CD1 4.07Å; W537-L539 PolarHBondContact O-N 3Å; L539-S541 PolarHBondContact O-N 2.91Å; L539-S542 WeakPolarHBondContact O-CB 3.29Å; L539-S542 PolarHBondContact O-N 3.42Å; L539-S542 VanDerWaalsContact O-N 3.1Å; L539-S542 PolarHBondContact O-OG 3.35Å
540	R	89.3	Confident	93.6	Very high	30 Å²	30	46.3 Å²	46.3	11%	0.113	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-69.8	-27.1	-177.3	-58	173	-179.6	100.3	-6.8	110.6	V292 E296 D375 Y377 V379 N538 S542 Y543	V292-R540 HydrophobicContact CB-CB 4.41Å; V292-R540 HydrophobicContact CG1-CB 4.14Å; V292-R540 HydrophobicContact CG2-CB 3.46Å; V292-R540 VanDerWaalsContact CG2-CB 3.46Å; V292-R540 HydrophobicContact CG2-CG 4.24Å; E296-R540 WeakPolarHBondContact OE1-CA 3.17Å; E296-R540 VanDerWaalsContact OE1-CB 3.32Å; E296-R540 WeakPolarHBondContact OE1-CB 3.27Å; E296-R540 PolarHBondContact OE1-N 3.24Å; D375-R540 IonicContact OD1-NH2 3.84Å; D375-R540 PolarHBondContact OD1-NH2 3.1Å; Y377-R540 VanDerWaalsContact CE2-NH2 3.29Å; Y377-R540 PolarHBondContact O-NE 3.03Å; Y377-R540 VanDerWaalsContact O-NE 3.13Å; V379-R540 HydrophobicContact CG2-CB 4.28Å; N538-R540 PolarHBondContact O-N 3.25Å; R540-S542 PolarHBondContact O-N 2.61Å; R540-Y543 WeakPolarHBondContact O-CD1 3.29Å; R540-Y543 PolarHBondContact O-N 2.88Å
541	S	91	Very high	93.5	Very high	23 Å²	23	46 Å²	46	16%	0.161	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-57.2	-11.4	168.2	47.3	0	0	0	0	115	E296 L539 Y543 Y544	E296-S541 WeakPolarHBondContact OE2-CB 3.1Å; E296-S541 PolarHBondContact OE2-N 3.36Å; E296-S541 VanDerWaalsContact OE2-N 3.11Å; E296-S541 PolarHBondContact OE2-OG 3.15Å; L539-S541 PolarHBondContact O-N 2.91Å; S541-Y543 PolarHBondContact O-N 3.46Å; S541-Y543 VanDerWaalsContact O-N 3.09Å; S541-Y544 WeakPolarHBondContact O-CB 3.09Å; S541-Y544 PolarHBondContact O-N 2.86Å; S541-Y544 VanDerWaalsContact O-N 3.12Å
542	S	93.5	Very high	93.4	Very high	3 Å²	3	46 Å²	46	2%	0.021	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-49.5	-31.8	170.2	53.5	0	0	0	0	113.8	N400 L531 L539 R540 Y544 F545 T546	N400-S542 PolarHBondContact ND2-OG 3.24Å; L531-S542 WeakPolarHBondContact CD1-O 3.27Å; L539-S542 WeakPolarHBondContact O-CB 3.29Å; L539-S542 PolarHBondContact O-N 3.42Å; L539-S542 VanDerWaalsContact O-N 3.1Å; L539-S542 PolarHBondContact O-OG 3.35Å; R540-S542 PolarHBondContact O-N 2.61Å; S542-Y544 PolarHBondContact O-N 3.26Å; S542-F545 PolarHBondContact O-N 3.43Å; S542-T546 PolarHBondContact O-N 3.14Å; S542-T546 VanDerWaalsContact O-N 3.14Å; S542-T546 PolarHBondContact O-OG1 3.15Å; S542-T546 VanDerWaalsContact O-OG1 3.12Å
543	Y	93	Very high	93.3	Very high	12 Å²	12	42.4 Å²	42.4	5%	0.047	20%	0.2	C	C	.	.	H	α-helix	trans	-51.5	-35.9	178.8	85.7	-86.4	0	0	0	112.9	T291 V292 I293 V379 F381 Y391 R540 S541 F545 T546 F547 F591	T291-Y543 PolarHBondContact OG1-OH 3.39Å; V292-Y543 HydrophobicContact CG1-CD1 3.77Å; V292-Y543 HydrophobicContact CG1-CE1 3.52Å; I293-Y543 HydrophobicContact CD1-CE1 4.21Å; I293-Y543 HydrophobicContact CG1-CE1 4.07Å; V379-Y543 HydrophobicContact CG1-CD1 3.77Å; V379-Y543 HydrophobicContact CG1-CD2 4.47Å; V379-Y543 HydrophobicContact CG1-CG 3.65Å; F381-Y543 HydrophobicContact CB-CE2 3.97Å; F381-Y543 HydrophobicContact CD1-CD1 4.32Å; F381-Y543 AromaticContact CD1-CD2 3.34Å; F381-Y543 HydrophobicContact CD1-CD2 3.34Å; F381-Y543 HydrophobicContact CD1-CE1 4.27Å; F381-Y543 AromaticContact CD1-CE2 3.25Å; F381-Y543 HydrophobicContact CD1-CE2 3.25Å; F381-Y543 AromaticContact CD1-CG 3.9Å; F381-Y543 HydrophobicContact CD1-CG 3.9Å; F381-Y543 AromaticContact CD1-CZ 3.75Å; F381-Y543 HydrophobicContact CD2-CD2 4.48Å; F381-Y543 AromaticContact CD2-CE2 3.88Å; F381-Y543 HydrophobicContact CD2-CE2 3.88Å; F381-Y543 AromaticContact CE1-CD2 3.26Å; F381-Y543 HydrophobicContact CE1-CD2 3.26Å; F381-Y543 AromaticContact CE1-CE2 3.61Å; F381-Y543 HydrophobicContact CE1-CE2 3.61Å; F381-Y543 AromaticContact CE1-CG 3.91Å; F381-Y543 HydrophobicContact CE1-CG 3.91Å; F381-Y543 HydrophobicContact CE2-CD2 4.41Å; F381-Y543 HydrophobicContact CE2-CE2 4.18Å; F381-Y543 AromaticContact CG-CD2 3.99Å; F381-Y543 HydrophobicContact CG-CD2 3.99Å; F381-Y543 AromaticContact CG-CE2 3.41Å; F381-Y543 HydrophobicContact CG-CE2 3.41Å; F381-Y543 VanDerWaalsContact CG-CE2 3.41Å; F381-Y543 AromaticContact CG-CZ 3.8Å; F381-Y543 AromaticContact CZ-CD2 3.84Å; F381-Y543 HydrophobicContact CZ-CD2 3.84Å; F381-Y543 HydrophobicContact CZ-CE2 4.05Å; Y391-Y543 VanDerWaalsContact OH-CB 3.29Å; Y391-Y543 WeakPolarHBondContact OH-CB 3.29Å; R540-Y543 WeakPolarHBondContact O-CD1 3.29Å; R540-Y543 PolarHBondContact O-N 2.88Å; S541-Y543 PolarHBondContact O-N 3.46Å; S541-Y543 VanDerWaalsContact O-N 3.09Å; Y543-F545 VanDerWaalsContact C-N 3.27Å; Y543-F545 PolarHBondContact O-N 2.92Å; Y543-T546 WeakPolarHBondContact O-CA 3.29Å; Y543-T546 WeakPolarHBondContact O-CB 3.49Å; Y543-T546 PolarHBondContact O-N 3.48Å; Y543-F547 HydrophobicContact CD2-CD2 4.02Å; Y543-F547 HydrophobicContact CD2-CE2 4.33Å; Y543-F547 WeakPolarHBondContact O-CD2 3.47Å; Y543-F547 PolarHBondContact O-N 3.42Å; Y543-F591 HydrophobicContact CE2-CE1 4.28Å
544	Y	92	Very high	93.1	Very high	32 Å²	32	44 Å²	44	13%	0.125	20%	0.204	C	C	.	.	H	α-helix	trans	-55.7	-45.2	-179	-177.9	-92.7	0	0	0	111	I293 S541 S542 I548 F591 V592 T630	I293-Y544 HydrophobicContact CD1-CD2 4.35Å; S541-Y544 WeakPolarHBondContact O-CB 3.09Å; S541-Y544 PolarHBondContact O-N 2.86Å; S541-Y544 VanDerWaalsContact O-N 3.12Å; S542-Y544 PolarHBondContact O-N 3.26Å; Y544-I548 HydrophobicContact CD1-CD1 3.76Å; Y544-I548 HydrophobicContact CE1-CD1 3.48Å; Y544-I548 VanDerWaalsContact CE1-CD1 3.48Å; Y544-I548 WeakPolarHBondContact O-CD1 3.46Å; Y544-I548 VanDerWaalsContact O-CG1 3.27Å; Y544-I548 WeakPolarHBondContact O-CG1 3.2Å; Y544-I548 PolarHBondContact O-N 3.07Å; Y544-F591 HydrophobicContact CE2-CB 4.31Å; Y544-V592 VanDerWaalsContact OH-CA 3.3Å; Y544-V592 WeakPolarHBondContact OH-CA 3.28Å; Y544-V592 WeakPolarHBondContact OH-CG2 3.18Å; Y544-T630 HydrophobicContact CE1-CG2 4.41Å
545	F	94.6	Very high	93	Very high	34 Å²	34	42.9 Å²	42.9	15%	0.149	20%	0.198	C	C	.	.	H	α-helix	trans	-78.1	-30.1	176.9	-67.3	-81.1	0	0	0	112.7	L527 I530 L531 L534 S542 Y543 I548 L549	L527-F545 HydrophobicContact CD2-CD1 3.9Å; L527-F545 HydrophobicContact CD2-CE1 4.15Å; I530-F545 HydrophobicContact CD1-CE1 4.25Å; I530-F545 HydrophobicContact CG2-CD1 4Å; I530-F545 HydrophobicContact CG2-CD2 3.86Å; I530-F545 HydrophobicContact CG2-CE1 3.87Å; I530-F545 HydrophobicContact CG2-CE2 3.71Å; I530-F545 HydrophobicContact CG2-CG 3.99Å; I530-F545 HydrophobicContact CG2-CZ 3.72Å; L531-F545 HydrophobicContact CB-CB 4.28Å; L531-F545 HydrophobicContact CD1-CB 4.31Å; L534-F545 HydrophobicContact CD1-CD2 3.35Å; L534-F545 HydrophobicContact CD1-CE2 3.62Å; L534-F545 HydrophobicContact CD1-CG 4.42Å; S542-F545 PolarHBondContact O-N 3.43Å; Y543-F545 VanDerWaalsContact C-N 3.27Å; Y543-F545 PolarHBondContact O-N 2.92Å; F545-I548 PolarHBondContact O-N 2.94Å; F545-L549 WeakPolarHBondContact O-CB 3.36Å; F545-L549 WeakPolarHBondContact O-CG 3.1Å; F545-L549 PolarHBondContact O-N 3.03Å
546	T	95.1	Very high	92.8	Very high	4 Å²	4	43.6 Å²	43.6	3%	0.025	20%	0.2	C	C	.	.	H	α-helix	trans	-59.1	-49.4	173.5	-49.3	0	0	0	0	111.7	V399 N400 I403 L531 S542 Y543 L549 L550	V399-T546 HydrophobicContact CG1-CG2 3.68Å; N400-T546 WeakPolarHBondContact OD1-CG2 3.3Å; N400-T546 PolarHBondContact OD1-OG1 3.39Å; I403-T546 HydrophobicContact CG1-CG2 4.16Å; L531-T546 VanDerWaalsContact CD1-OG1 3.24Å; L531-T546 WeakPolarHBondContact CD1-OG1 3.29Å; S542-T546 PolarHBondContact O-N 3.14Å; S542-T546 VanDerWaalsContact O-N 3.14Å; S542-T546 PolarHBondContact O-OG1 3.15Å; S542-T546 VanDerWaalsContact O-OG1 3.12Å; Y543-T546 WeakPolarHBondContact O-CA 3.29Å; Y543-T546 WeakPolarHBondContact O-CB 3.49Å; Y543-T546 PolarHBondContact O-N 3.48Å; T546-L549 PolarHBondContact O-N 3.4Å; T546-L550 VanDerWaalsContact O-CB 3.31Å; T546-L550 WeakPolarHBondContact O-CB 3.22Å; T546-L550 PolarHBondContact O-N 3.33Å
547	F	92.6	Very high	92.6	Very high	41 Å²	41	39.1 Å²	39.1	18%	0.18	19%	0.187	C	C	.	.	H	α-helix	trans	-67.9	-41.4	179	-82.2	-87.5	0	0	0	111.6	F381 Y543 L549 L550 F551 F591	F381-F547 AromaticContact CE1-CE2 3.84Å; F381-F547 HydrophobicContact CE1-CE2 3.84Å; F381-F547 HydrophobicContact CE1-CZ 4.41Å; F381-F547 HydrophobicContact CZ-CD2 4.08Å; F381-F547 AromaticContact CZ-CE2 3.43Å; F381-F547 HydrophobicContact CZ-CE2 3.43Å; F381-F547 VanDerWaalsContact CZ-CE2 3.43Å; F381-F547 AromaticContact CZ-CZ 3.68Å; F381-F547 HydrophobicContact CZ-CZ 3.68Å; Y543-F547 HydrophobicContact CD2-CD2 4.02Å; Y543-F547 HydrophobicContact CD2-CE2 4.33Å; Y543-F547 WeakPolarHBondContact O-CD2 3.47Å; Y543-F547 PolarHBondContact O-N 3.42Å; F547-L549 VanDerWaalsContact C-N 3.33Å; F547-L549 PolarHBondContact O-N 3.48Å; F547-L550 HydrophobicContact CD1-CD2 4.37Å; F547-L550 PolarHBondContact O-N 3.31Å; F547-F551 HydrophobicContact CB-CE2 4.38Å; F547-F551 HydrophobicContact CD1-CE2 4Å; F547-F551 WeakPolarHBondContact O-CD2 3.03Å; F547-F551 PolarHBondContact O-N 2.79Å; F547-F551 VanDerWaalsContact O-N 3.1Å; F547-F591 HydrophobicContact CB-CD2 4.39Å; F547-F591 HydrophobicContact CB-CE1 4.37Å; F547-F591 HydrophobicContact CB-CE2 3.98Å; F547-F591 HydrophobicContact CB-CZ 3.94Å; F547-F591 HydrophobicContact CD1-CE2 4.22Å; F547-F591 AromaticContact CD1-CZ 3.87Å; F547-F591 HydrophobicContact CD1-CZ 3.87Å; F547-F591 HydrophobicContact CD2-CZ 4.46Å; F547-F591 HydrophobicContact CG-CE1 4.35Å; F547-F591 HydrophobicContact CG-CE2 4.26Å; F547-F591 AromaticContact CG-CZ 3.83Å; F547-F591 HydrophobicContact CG-CZ 3.83Å
548	I	94.5	Very high	92.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-55.3	-50	173.6	-71.8	169.8	0	0	0	110.8	L527 Y544 F545 L552 A588 V592 T630 L634	L527-I548 HydrophobicContact CD1-CG2 3.98Å; Y544-I548 HydrophobicContact CD1-CD1 3.76Å; Y544-I548 HydrophobicContact CE1-CD1 3.48Å; Y544-I548 VanDerWaalsContact CE1-CD1 3.48Å; Y544-I548 WeakPolarHBondContact O-CD1 3.46Å; Y544-I548 VanDerWaalsContact O-CG1 3.27Å; Y544-I548 WeakPolarHBondContact O-CG1 3.2Å; Y544-I548 PolarHBondContact O-N 3.07Å; F545-I548 PolarHBondContact O-N 2.94Å; I548-L552 HydrophobicContact CG2-CD1 3.78Å; I548-L552 VanDerWaalsContact O-CG 3.28Å; I548-L552 WeakPolarHBondContact O-CG 3.05Å; I548-L552 PolarHBondContact O-N 2.71Å; I548-L552 VanDerWaalsContact O-N 3.1Å; I548-A588 HydrophobicContact CG1-CB 4.16Å; I548-A588 HydrophobicContact CG2-CB 4.45Å; I548-V592 HydrophobicContact CD1-CG2 4.19Å; I548-T630 HydrophobicContact CD1-CG2 3.87Å; I548-L634 HydrophobicContact CG2-CD2 3.85Å
549	L	96.2	Very high	92.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.1	-43.7	178.3	-81.2	168.1	0	0	0	112.5	I403 L524 L527 A528 L531 F545 T546 F547 F551 L552 L553	I403-L549 HydrophobicContact CG2-CB 3.57Å; I403-L549 HydrophobicContact CG2-CD1 3.99Å; I403-L549 HydrophobicContact CG2-CG 4.39Å; L524-L549 HydrophobicContact CB-CD2 4.38Å; L524-L549 HydrophobicContact CD2-CD2 3.95Å; L527-L549 HydrophobicContact CB-CD1 4.18Å; L527-L549 HydrophobicContact CB-CD2 3.64Å; L527-L549 HydrophobicContact CB-CG 3.87Å; L527-L549 HydrophobicContact CD1-CD2 4.26Å; A528-L549 HydrophobicContact CB-CD1 4.19Å; L531-L549 HydrophobicContact CB-CD1 4.21Å; L531-L549 HydrophobicContact CD2-CD1 3.72Å; F545-L549 WeakPolarHBondContact O-CB 3.36Å; F545-L549 WeakPolarHBondContact O-CG 3.1Å; F545-L549 PolarHBondContact O-N 3.03Å; T546-L549 PolarHBondContact O-N 3.4Å; F547-L549 VanDerWaalsContact C-N 3.33Å; F547-L549 PolarHBondContact O-N 3.48Å; L549-F551 VanDerWaalsContact C-N 3.31Å; L549-F551 PolarHBondContact O-N 3.02Å; L549-L552 PolarHBondContact O-N 2.81Å; L549-L553 WeakPolarHBondContact O-CB 3.27Å; L549-L553 VanDerWaalsContact O-CG 3.22Å; L549-L553 WeakPolarHBondContact O-CG 3.23Å; L549-L553 PolarHBondContact O-N 3.05Å
550	L	94.6	Very high	92.6	Very high	59 Å²	59	35.3 Å²	35.3	31%	0.309	17%	0.166	S	C	.	.	H	α-helix	trans	-53.3	-48.6	178.4	175.4	65.4	0	0	0	111.3	I403 T546 F547 L553 M554	I403-L550 HydrophobicContact CD1-CB 4.37Å; I403-L550 HydrophobicContact CD1-CD1 3.97Å; T546-L550 VanDerWaalsContact O-CB 3.31Å; T546-L550 WeakPolarHBondContact O-CB 3.22Å; T546-L550 PolarHBondContact O-N 3.33Å; F547-L550 HydrophobicContact CD1-CD2 4.37Å; F547-L550 PolarHBondContact O-N 3.31Å; L550-L553 PolarHBondContact O-N 3.44Å; L550-M554 HydrophobicContact CD1-CE 4.31Å; L550-M554 PolarHBondContact O-N 3.16Å
551	F	94.1	Very high	92.5	Very high	54 Å²	54	40 Å²	40	24%	0.237	19%	0.193	C	C	.	.	H	α-helix	trans	-72	-35.4	-179.9	-69.6	-64.3	0	0	0	113	F547 L549 L553 M554 S584 P587 F591	F547-F551 HydrophobicContact CB-CE2 4.38Å; F547-F551 HydrophobicContact CD1-CE2 4Å; F547-F551 WeakPolarHBondContact O-CD2 3.03Å; F547-F551 PolarHBondContact O-N 2.79Å; F547-F551 VanDerWaalsContact O-N 3.1Å; L549-F551 VanDerWaalsContact C-N 3.31Å; L549-F551 PolarHBondContact O-N 3.02Å; F551-L553 VanDerWaalsContact C-N 3.34Å; F551-L553 PolarHBondContact O-N 2.85Å; F551-M554 WeakPolarHBondContact O-CB 3.3Å; F551-M554 PolarHBondContact O-N 3.07Å; F551-S584 WeakPolarHBondContact CB-O 2.85Å; F551-P587 HydrophobicContact CD1-CB 3.75Å; F551-P587 HydrophobicContact CD1-CG 3.72Å; F551-P587 HydrophobicContact CD2-CB 3.61Å; F551-P587 HydrophobicContact CD2-CG 4.45Å; F551-P587 HydrophobicContact CE1-CB 3.7Å; F551-P587 HydrophobicContact CE1-CG 3.82Å; F551-P587 HydrophobicContact CE2-CB 3.58Å; F551-P587 HydrophobicContact CG-CB 3.72Å; F551-P587 HydrophobicContact CG-CG 4.07Å; F551-P587 HydrophobicContact CZ-CB 3.63Å; F551-P587 HydrophobicContact CZ-CG 4.26Å; F551-F591 AromaticContact CE2-CE2 3.94Å; F551-F591 HydrophobicContact CE2-CE2 3.94Å
552	L	94.9	Very high	92.3	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-63.4	-39.5	172.8	-71.5	166.7	0	0	0	111.8	F520 L524 L527 I548 L549 M554 R555 V585 L634	F520-L552 HydrophobicContact CE2-CB 4.48Å; F520-L552 HydrophobicContact CE2-CD2 3.97Å; F520-L552 HydrophobicContact CZ-CB 4.36Å; F520-L552 WeakPolarHBondContact CZ-O 3.43Å; L524-L552 HydrophobicContact CD2-CB 3.58Å; L524-L552 HydrophobicContact CD2-CD1 4.09Å; L524-L552 HydrophobicContact CD2-CG 4.44Å; L527-L552 HydrophobicContact CD1-CD1 3.47Å; L527-L552 VanDerWaalsContact CD1-CD1 3.47Å; I548-L552 HydrophobicContact CG2-CD1 3.78Å; I548-L552 VanDerWaalsContact O-CG 3.28Å; I548-L552 WeakPolarHBondContact O-CG 3.05Å; I548-L552 PolarHBondContact O-N 2.71Å; I548-L552 VanDerWaalsContact O-N 3.1Å; L549-L552 PolarHBondContact O-N 2.81Å; L552-M554 PolarHBondContact O-N 2.78Å; L552-R555 WeakPolarHBondContact O-CB 3.32Å; L552-R555 PolarHBondContact O-N 3.31Å; L552-V585 HydrophobicContact CD2-CG1 3.45Å; L552-V585 VanDerWaalsContact CD2-CG1 3.45Å; L552-L634 HydrophobicContact CD1-CD2 3.93Å; L552-L634 HydrophobicContact CD2-CD2 4.07Å; L552-L634 HydrophobicContact CG-CD2 4.26Å
553	L	94.5	Very high	91.6	Very high	19 Å²	19	40.7 Å²	40.7	10%	0.099	20%	0.195	C	C	.	.	H	α-helix	trans	-62.4	-27.5	177.5	-71.7	169.6	0	0	0	112.7	I403 A406 I410 L524 L549 L550 F551 R555 P557	I403-L553 HydrophobicContact CD1-CD1 4.07Å; I403-L553 HydrophobicContact CG2-CD1 4.05Å; A406-L553 HydrophobicContact CB-CD1 4.42Å; I410-L553 HydrophobicContact CD1-CD2 3.44Å; I410-L553 VanDerWaalsContact CD1-CD2 3.44Å; L524-L553 HydrophobicContact CD1-CD2 4.12Å; L549-L553 WeakPolarHBondContact O-CB 3.27Å; L549-L553 VanDerWaalsContact O-CG 3.22Å; L549-L553 WeakPolarHBondContact O-CG 3.23Å; L549-L553 PolarHBondContact O-N 3.05Å; L550-L553 PolarHBondContact O-N 3.44Å; F551-L553 VanDerWaalsContact C-N 3.34Å; F551-L553 PolarHBondContact O-N 2.85Å; L553-R555 PolarHBondContact O-N 3.13Å; L553-P557 WeakPolarHBondContact O-CD 3.33Å
554	M	92.1	Very high	90.8	Very high	94 Å²	94	41.7 Å²	41.7	46%	0.463	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-14.4	174.9	-64.9	-65.2	-179.8	0	0	113.5	L550 F551 L552 F556 P557 L558	L550-M554 HydrophobicContact CD1-CE 4.31Å; L550-M554 PolarHBondContact O-N 3.16Å; F551-M554 WeakPolarHBondContact O-CB 3.3Å; F551-M554 PolarHBondContact O-N 3.07Å; L552-M554 PolarHBondContact O-N 2.78Å; M554-F556 VanDerWaalsContact C-N 3.32Å; M554-F556 PolarHBondContact O-N 2.94Å; M554-P557 WeakPolarHBondContact O-CD 3.25Å; M554-L558 HydrophobicContact CB-CD1 4.41Å; M554-L558 WeakPolarHBondContact O-CB 3.21Å; M554-L558 WeakPolarHBondContact O-CG 3.49Å; M554-L558 PolarHBondContact O-N 3.49Å; M554-L558 VanDerWaalsContact O-N 3.11Å
555	R	93.8	Very high	90.1	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.015	22%	0.222	C	C	.	.	H	α-helix	trans	-55.6	-43.7	177.2	-176.5	-169.5	153	177.8	-4.8	112.3	E516 F520 L552 L553 L558 L559 V580	E516-R555 IonicContact OE1-CZ 3.86Å; E516-R555 IonicContact OE1-NH1 3.55Å; E516-R555 PolarHBondContact OE1-NH1 2.82Å; E516-R555 IonicContact OE1-NH2 3.13Å; E516-R555 PolarHBondContact OE1-NH2 3.33Å; E516-R555 IonicContact OE2-CZ 2.71Å; E516-R555 IonicContact OE2-NH2 2.85Å; E516-R555 PolarHBondContact OE2-NH2 3.43Å; F520-R555 VanDerWaalsContact CB-NH1 3.3Å; F520-R555 HydrophobicContact CZ-CB 3.96Å; F520-R555 VanDerWaalsContact CZ-CD 3.46Å; F520-R555 HydrophobicContact CZ-CG 4.33Å; L552-R555 WeakPolarHBondContact O-CB 3.32Å; L552-R555 PolarHBondContact O-N 3.31Å; L553-R555 PolarHBondContact O-N 3.13Å; R555-L558 PolarHBondContact O-N 3.28Å; R555-L559 HydrophobicContact CG-CD1 4.09Å; R555-L559 HydrophobicContact CG-CG 4.38Å; R555-L559 WeakPolarHBondContact O-CB 3.33Å; R555-L559 VanDerWaalsContact O-CG 3.31Å; R555-L559 WeakPolarHBondContact O-CG 3.43Å; R555-L559 PolarHBondContact O-N 3.33Å; R555-V580 HydrophobicContact CG-CG1 4.31Å
556	F	89.4	Confident	89.2	Confident	31 Å²	31	43.4 Å²	43.4	14%	0.136	22%	0.223	C	C	.	.	H	α-helix	trans	-66.3	-50.5	-177	-74.7	-73.8	0	0	0	113	I410 F432 Q517 F520 N521 M554 L558 L559 W560	I410-F556 HydrophobicContact CD1-CD2 4.41Å; I410-F556 HydrophobicContact CG2-CD2 4.09Å; I410-F556 HydrophobicContact CG2-CE2 3.44Å; I410-F556 VanDerWaalsContact CG2-CE2 3.44Å; I410-F556 HydrophobicContact CG2-CZ 3.99Å; F432-F556 HydrophobicContact CD2-CE1 4.23Å; Q517-F556 HydrophobicContact CG-CZ 4.5Å; F520-F556 HydrophobicContact CD1-CE2 4.14Å; F520-F556 HydrophobicContact CD1-CZ 4.19Å; F520-F556 HydrophobicContact CE1-CD2 4.32Å; F520-F556 AromaticContact CE1-CE2 3.63Å; F520-F556 HydrophobicContact CE1-CE2 3.63Å; F520-F556 HydrophobicContact CE1-CZ 4.11Å; N521-F556 WeakPolarHBondContact OD1-CZ 3.26Å; M554-F556 VanDerWaalsContact C-N 3.32Å; M554-F556 PolarHBondContact O-N 2.94Å; F556-L558 VanDerWaalsContact C-N 3.3Å; F556-L558 PolarHBondContact O-N 3.16Å; F556-L559 PolarHBondContact O-N 3.29Å; F556-W560 PolarHBondContact O-N 2.98Å
557	P	90	Very high	88.2	Confident	67 Å²	67	50.1 Å²	50.1	44%	0.435	25%	0.252	S	S	.	.	H	α-helix	trans	-54.5	-43.3	171.2	-27.6	33.2	0	0	0	113.4	L553 M554 L559 W560 L561	L553-P557 WeakPolarHBondContact O-CD 3.33Å; M554-P557 WeakPolarHBondContact O-CD 3.25Å; P557-L559 PolarHBondContact O-N 3.15Å; P557-W560 WeakPolarHBondContact O-CB 3.21Å; P557-W560 PolarHBondContact O-N 3.15Å; P557-L561 WeakPolarHBondContact O-CG 2.94Å; P557-L561 PolarHBondContact O-N 3.49Å
558	L	91.3	Very high	87.4	Confident	54 Å²	54	58 Å²	58	28%	0.283	28%	0.28	S	S	.	.	H	α-helix	trans	-65.2	-38.5	179.3	-69.1	171.9	0	0	0	112.5	M554 R555 F556 L561 S562 V580	M554-L558 HydrophobicContact CB-CD1 4.41Å; M554-L558 WeakPolarHBondContact O-CB 3.21Å; M554-L558 WeakPolarHBondContact O-CG 3.49Å; M554-L558 PolarHBondContact O-N 3.49Å; M554-L558 VanDerWaalsContact O-N 3.11Å; R555-L558 PolarHBondContact O-N 3.28Å; F556-L558 VanDerWaalsContact C-N 3.3Å; F556-L558 PolarHBondContact O-N 3.16Å; L558-L561 PolarHBondContact O-N 3.2Å; L558-S562 PolarHBondContact O-N 2.85Å; L558-V580 HydrophobicContact CB-CG1 3.49Å; L558-V580 VanDerWaalsContact CB-CG1 3.49Å; L558-V580 HydrophobicContact CD1-CG1 4.43Å
559	L	90.6	Very high	86.4	Confident	2 Å²	2	67 Å²	67	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-63.6	-42.9	172.9	-74.9	174	0	0	0	111.1	W431 R555 F556 P557 L561 S562 D563 I576 I577 V580	W431-L559 HydrophobicContact CB-CB 4.18Å; W431-L559 HydrophobicContact CD2-CB 4.08Å; W431-L559 HydrophobicContact CD2-CD2 4.43Å; W431-L559 HydrophobicContact CE3-CB 4.26Å; W431-L559 HydrophobicContact CE3-CD2 3.83Å; W431-L559 HydrophobicContact CE3-CG 4.43Å; W431-L559 HydrophobicContact CG-CB 4.05Å; W431-L559 HydrophobicContact CZ3-CD2 3.92Å; W431-L559 PolarHBondContact NE1-O 3.44Å; R555-L559 HydrophobicContact CG-CD1 4.09Å; R555-L559 HydrophobicContact CG-CG 4.38Å; R555-L559 WeakPolarHBondContact O-CB 3.33Å; R555-L559 VanDerWaalsContact O-CG 3.31Å; R555-L559 WeakPolarHBondContact O-CG 3.43Å; R555-L559 PolarHBondContact O-N 3.33Å; F556-L559 PolarHBondContact O-N 3.29Å; P557-L559 PolarHBondContact O-N 3.15Å; L559-L561 VanDerWaalsContact C-N 3.33Å; L559-L561 PolarHBondContact O-N 2.87Å; L559-S562 WeakPolarHBondContact CA-OG 3.48Å; L559-S562 WeakPolarHBondContact O-CA 3.45Å; L559-S562 WeakPolarHBondContact O-CB 3.42Å; L559-S562 PolarHBondContact O-N 2.88Å; L559-S562 PolarHBondContact O-OG 3.32Å; L559-D563 PolarHBondContact O-N 3.08Å; L559-I576 HydrophobicContact CD2-CG2 4.37Å; L559-I577 HydrophobicContact CD2-CG1 4.15Å; L559-V580 HydrophobicContact CD2-CB 3.84Å; L559-V580 HydrophobicContact CD2-CG1 3.86Å; L559-V580 HydrophobicContact CD2-CG2 4.08Å; L559-V580 HydrophobicContact CG-CB 4.38Å; L559-V580 HydrophobicContact CG-CG1 3.82Å
560	W	87.4	Confident	85	Confident	176 Å²	176	70.3 Å²	70.3	67%	0.667	34%	0.343	S	S	*	.	H	α-helix	trans	-61.6	-40.1	177.8	-172.5	78.7	0	0	0	112.4	F556 P557 S562 D563	F556-W560 PolarHBondContact O-N 2.98Å; P557-W560 WeakPolarHBondContact O-CB 3.21Å; P557-W560 PolarHBondContact O-N 3.15Å; W560-S562 PolarHBondContact O-N 3.22Å; W560-D563 WeakPolarHBondContact O-CB 3.28Å; W560-D563 PolarHBondContact O-N 3.33Å
561	L	87.5	Confident	84.1	Confident	129 Å²	129	71.4 Å²	71.4	68%	0.675	35%	0.348	S	S	*	.	H	α-helix	trans	-63.5	-26.2	173.4	-68.1	172.2	0	0	0	113.1	P557 L558 L559 D563	P557-L561 WeakPolarHBondContact O-CG 2.94Å; P557-L561 PolarHBondContact O-N 3.49Å; L558-L561 PolarHBondContact O-N 3.2Å; L559-L561 VanDerWaalsContact C-N 3.33Å; L559-L561 PolarHBondContact O-N 2.87Å; L561-D563 VanDerWaalsContact C-N 3.32Å
562	S	85.7	Confident	83.6	Confident	11 Å²	11	73.9 Å²	73.9	8%	0.077	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	0.9	179.6	76.1	0	0	0	0	114.6	W431 L558 L559 W560 G564 L565 I576	W431-S562 WeakPolarHBondContact CZ2-OG 3.48Å; L558-S562 PolarHBondContact O-N 2.85Å; L559-S562 WeakPolarHBondContact CA-OG 3.48Å; L559-S562 WeakPolarHBondContact O-CA 3.45Å; L559-S562 WeakPolarHBondContact O-CB 3.42Å; L559-S562 PolarHBondContact O-N 2.88Å; L559-S562 PolarHBondContact O-OG 3.32Å; W560-S562 PolarHBondContact O-N 3.22Å; S562-G564 PolarHBondContact O-N 3.01Å; S562-L565 WeakPolarHBondContact O-CB 2.98Å; S562-L565 PolarHBondContact O-N 3.02Å; S562-I576 WeakPolarHBondContact OG-CG2 3.37Å
563	D	79.5	Confident	83.2	Confident	29 Å²	29	74.8 Å²	74.8	16%	0.155	37%	0.368	C	S	.	.	H	α-helix	trans	-55.9	-36.7	-176.2	-172.3	49.3	0	0	0	113.5	W431 L559 W560 L561 L565 V566 K567	W431-D563 PolarHBondContact NE1-OD1 3.28Å; L559-D563 PolarHBondContact O-N 3.08Å; W560-D563 WeakPolarHBondContact O-CB 3.28Å; W560-D563 PolarHBondContact O-N 3.33Å; L561-D563 VanDerWaalsContact C-N 3.32Å; D563-L565 VanDerWaalsContact C-N 3.25Å; D563-L565 PolarHBondContact O-N 2.88Å; D563-V566 PolarHBondContact O-N 3.13Å; D563-K567 WeakPolarHBondContact O-CG 3.31Å; D563-K567 PolarHBondContact O-N 3.06Å; D563-K567 WeakPolarHBondContact OD2-CD 3.13Å; D563-K567 WeakPolarHBondContact OD2-CE 3.37Å; D563-K567 IonicContact OD2-NZ 3.47Å; D563-K567 PolarHBondContact OD2-NZ 2.84Å
564	G	75.7	Confident	83	Confident	34 Å²	34	73.9 Å²	73.9	35%	0.351	36%	0.364	S	S	.	.	H	α-helix	trans	-60.8	-29.8	175.8	0	0	0	0	0	114.2	S562 R568	S562-G564 PolarHBondContact O-N 3.01Å; G564-R568 WeakPolarHBondContact O-CB 3.3Å; G564-R568 WeakPolarHBondContact O-CD 3.49Å; G564-R568 WeakPolarHBondContact O-CG 3.5Å; G564-R568 PolarHBondContact O-N 3.04Å; G564-R568 VanDerWaalsContact O-N 3.13Å
565	L	78.9	Confident	82.9	Confident	75 Å²	75	70.1 Å²	70.1	39%	0.393	35%	0.346	S	S	.	.	H	α-helix	trans	-73.8	-38.6	-179.5	-61	174.9	0	0	0	111.6	S562 D563 S570 I576	S562-L565 WeakPolarHBondContact O-CB 2.98Å; S562-L565 PolarHBondContact O-N 3.02Å; D563-L565 VanDerWaalsContact C-N 3.25Å; D563-L565 PolarHBondContact O-N 2.88Å; L565-S570 PolarHBondContact O-N 3.35Å; L565-S570 PolarHBondContact O-OG 3.42Å; L565-S570 VanDerWaalsContact O-OG 3.07Å; L565-I576 HydrophobicContact CB-CD1 3.81Å
566	V	75.2	Confident	82.8	Confident	27 Å²	27	70.2 Å²	70.2	16%	0.164	35%	0.346	C	S	.	.	H	α-helix	trans	-69.4	-46.2	173.6	175.3	0	0	0	0	111	V430 W431 D563 R568 K569 I576	V430-V566 HydrophobicContact CG1-CG1 4.19Å; W431-V566 HydrophobicContact CH2-CB 4.41Å; W431-V566 HydrophobicContact CH2-CG2 3.17Å; W431-V566 HydrophobicContact CZ2-CB 4.1Å; W431-V566 HydrophobicContact CZ2-CG2 3.25Å; W431-V566 HydrophobicContact CZ3-CG2 4.24Å; D563-V566 PolarHBondContact O-N 3.13Å; V566-R568 PolarHBondContact O-N 2.89Å; V566-K569 WeakPolarHBondContact O-CA 3.45Å; V566-K569 PolarHBondContact O-N 2.78Å; V566-I576 HydrophobicContact CB-CD1 4.47Å; V566-I576 HydrophobicContact CG2-CD1 3.35Å
567	K	74.1	Confident	83	Confident	145 Å²	145	68.8 Å²	68.8	63%	0.63	34%	0.34	S	S	*	.	H	α-helix	trans	-60.2	-32.6	-178.7	-74.6	176.9	172.3	171.1	0	112.4	D563 K569	D563-K567 WeakPolarHBondContact O-CG 3.31Å; D563-K567 PolarHBondContact O-N 3.06Å; D563-K567 WeakPolarHBondContact OD2-CD 3.13Å; D563-K567 WeakPolarHBondContact OD2-CE 3.37Å; D563-K567 IonicContact OD2-NZ 3.47Å; D563-K567 PolarHBondContact OD2-NZ 2.84Å; K567-K569 VanDerWaalsContact C-N 3.26Å; K567-K569 PolarHBondContact O-N 2.97Å
568	R	76.1	Confident	83.2	Confident	205 Å²	205	66 Å²	66	77%	0.774	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-2.3	174.1	-70.6	174	-174.1	-177.6	2.9	114.2	G564 V566 S570	G564-R568 WeakPolarHBondContact O-CB 3.3Å; G564-R568 WeakPolarHBondContact O-CD 3.49Å; G564-R568 WeakPolarHBondContact O-CG 3.5Å; G564-R568 PolarHBondContact O-N 3.04Å; G564-R568 VanDerWaalsContact O-N 3.13Å; V566-R568 PolarHBondContact O-N 2.89Å; R568-S570 PolarHBondContact O-N 2.78Å; R568-S570 VanDerWaalsContact O-N 3.15Å
569	K	72.4	Confident	83.3	Confident	191 Å²	191	66.1 Å²	66.1	83%	0.83	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	27.7	-172.5	-60.5	-176.8	178	179	0	113.4	V566 K567	V566-K569 WeakPolarHBondContact O-CA 3.45Å; V566-K569 PolarHBondContact O-N 2.78Å; K567-K569 VanDerWaalsContact C-N 3.26Å; K567-K569 PolarHBondContact O-N 2.97Å
570	S	66.2	Low	83.5	Confident	69 Å²	69	66.8 Å²	66.8	48%	0.483	33%	0.334	S	S	.	.	S	Bend	trans	-76.8	-30.7	-178.2	65.7	0	0	0	0	112.4	L565 R568	L565-S570 PolarHBondContact O-N 3.35Å; L565-S570 PolarHBondContact O-OG 3.42Å; L565-S570 VanDerWaalsContact O-OG 3.07Å; R568-S570 PolarHBondContact O-N 2.78Å; R568-S570 VanDerWaalsContact O-N 3.15Å
571	L	77.2	Confident	83.9	Confident	82 Å²	82	58.5 Å²	58.5	43%	0.429	30%	0.303	S	S	.	.	S	Bend	trans	-140	150	-179.8	-68.7	170.5	0	0	0	110.4	T575 I576	L571-T575 HydrophobicContact CD2-CG2 4.31Å; L571-I576 HydrophobicContact CB-CD1 3.91Å; L571-I576 HydrophobicContact CB-CG1 3.87Å; L571-I576 HydrophobicContact CD1-CG1 4.19Å
572	H	84.2	Confident	84.2	Confident	105 Å²	105	52.9 Å²	52.9	49%	0.486	27%	0.274	S	S	.	.			trans	-69.7	146.3	173.4	-62.4	95.4	0	0	0	110.6	T33 T574 T575 I576	T33-H572 PolarHBondContact OG1-CD2 2.9Å; T33-H572 PolarHBondContact OG1-NE2 3.14Å; H572-T574 PolarHBondContact O-N 3.14Å; H572-T575 WeakPolarHBondContact O-CB 3.38Å; H572-T575 PolarHBondContact O-N 3.43Å; H572-I576 PolarHBondContact O-N 2.92Å; H572-I576 VanDerWaalsContact O-N 3.16Å
573	A	85.3	Confident	84.6	Confident	21 Å²	21	57.2 Å²	57.2	17%	0.174	30%	0.296	C	S	.	.	H	α-helix	trans	-56.8	-37.6	-179	0	0	0	0	0	112.9	I576 I577	A573-I576 PolarHBondContact O-N 3.01Å; A573-I577 VanDerWaalsContact O-CG1 3.23Å; A573-I577 WeakPolarHBondContact O-CG1 3.03Å; A573-I577 PolarHBondContact O-N 3.32Å
574	T	90	Very high	85.2	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.006	29%	0.29	C	S	.	.	H	α-helix	trans	-64.2	-40	176.5	49.9	0	0	0	0	112.6	L32 T33 L513 H572 I577 F578 I641	L32-T574 HydrophobicContact CD1-CG2 3.69Å; L32-T574 HydrophobicContact CD2-CG2 4.11Å; L32-T574 HydrophobicContact CG-CG2 3.88Å; T33-T574 WeakPolarHBondContact O-CB 3.41Å; T33-T574 WeakPolarHBondContact O-CG2 2.99Å; T33-T574 PolarHBondContact O-OG1 3.43Å; L513-T574 HydrophobicContact CD2-CG2 4.35Å; H572-T574 PolarHBondContact O-N 3.14Å; T574-I577 PolarHBondContact O-N 2.76Å; T574-F578 WeakPolarHBondContact O-CB 3.37Å; T574-F578 PolarHBondContact O-N 2.87Å; T574-I641 HydrophobicContact CG2-CB 4.19Å; T574-I641 HydrophobicContact CG2-CG2 4.19Å
575	T	91.1	Very high	86.1	Confident	15 Å²	15	54.5 Å²	54.5	9%	0.092	27%	0.274	C	S	.	.	H	α-helix	trans	-62.7	-43	175.3	-55.5	0	0	0	0	111.4	Y39 L571 H572 F578 A579	Y39-T575 HydrophobicContact CE1-CG2 3.71Å; L571-T575 HydrophobicContact CD2-CG2 4.31Å; H572-T575 WeakPolarHBondContact O-CB 3.38Å; H572-T575 PolarHBondContact O-N 3.43Å; T575-F578 PolarHBondContact O-N 3.03Å; T575-A579 WeakPolarHBondContact O-CB 3.4Å; T575-A579 PolarHBondContact O-N 2.86Å
576	I	91.1	Very high	86.8	Confident	5 Å²	5	53 Å²	53	3%	0.026	27%	0.266	C	S	.	.	H	α-helix	trans	-67.8	-44.3	177.8	-66.3	166.7	0	0	0	110.6	W431 L559 S562 L565 V566 L571 H572 A573 F578 A579 V580	W431-I576 HydrophobicContact CH2-CB 3.86Å; W431-I576 HydrophobicContact CH2-CD1 4.05Å; W431-I576 HydrophobicContact CH2-CG2 3.44Å; W431-I576 VanDerWaalsContact CH2-CG2 3.44Å; W431-I576 HydrophobicContact CZ2-CG2 4.17Å; W431-I576 HydrophobicContact CZ3-CB 4.41Å; W431-I576 HydrophobicContact CZ3-CG2 4.06Å; L559-I576 HydrophobicContact CD2-CG2 4.37Å; S562-I576 WeakPolarHBondContact OG-CG2 3.37Å; L565-I576 HydrophobicContact CB-CD1 3.81Å; V566-I576 HydrophobicContact CB-CD1 4.47Å; V566-I576 HydrophobicContact CG2-CD1 3.35Å; L571-I576 HydrophobicContact CB-CD1 3.91Å; L571-I576 HydrophobicContact CB-CG1 3.87Å; L571-I576 HydrophobicContact CD1-CG1 4.19Å; H572-I576 PolarHBondContact O-N 2.92Å; H572-I576 VanDerWaalsContact O-N 3.16Å; A573-I576 PolarHBondContact O-N 3.01Å; I576-F578 VanDerWaalsContact C-N 3.32Å; I576-F578 PolarHBondContact O-N 2.97Å; I576-A579 PolarHBondContact O-N 3.45Å; I576-V580 HydrophobicContact CG2-CG2 4.04Å; I576-V580 WeakPolarHBondContact O-CB 3.45Å; I576-V580 VanDerWaalsContact O-CG2 3.31Å; I576-V580 WeakPolarHBondContact O-CG2 3.41Å; I576-V580 PolarHBondContact O-N 3.48Å
577	I	93.1	Very high	87.7	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-58.2	-45.7	175.7	-67.8	163.9	0	0	0	110.7	W431 L513 L559 A573 T574 H581 I641	W431-I577 HydrophobicContact CE3-CG1 4.45Å; W431-I577 HydrophobicContact CZ3-CG1 4.02Å; L513-I577 HydrophobicContact CD2-CD1 3.84Å; L559-I577 HydrophobicContact CD2-CG1 4.15Å; A573-I577 VanDerWaalsContact O-CG1 3.23Å; A573-I577 WeakPolarHBondContact O-CG1 3.03Å; A573-I577 PolarHBondContact O-N 3.32Å; T574-I577 PolarHBondContact O-N 2.76Å; I577-H581 WeakPolarHBondContact O-CB 3.42Å; I577-H581 PolarHBondContact O-N 2.92Å; I577-I641 HydrophobicContact CB-CD1 4.05Å; I577-I641 HydrophobicContact CG2-CD1 3.72Å
578	F	94.5	Very high	88.6	Confident	9 Å²	9	46.8 Å²	46.8	4%	0.039	24%	0.241	C	C	.	.	H	α-helix	trans	-60.8	-51.6	178.3	-169.2	-79.4	0	0	0	111.3	V35 Y39 W40 H43 T574 T575 I576 V580 H581 T582 L638 I641	V35-F578 HydrophobicContact CB-CD2 4.3Å; V35-F578 HydrophobicContact CG1-CD2 3.7Å; V35-F578 HydrophobicContact CG1-CE2 4Å; V35-F578 HydrophobicContact CG1-CG 4.05Å; V35-F578 HydrophobicContact CG2-CB 4.1Å; V35-F578 HydrophobicContact CG2-CD2 4.36Å; V35-F578 HydrophobicContact CG2-CG 4.46Å; Y39-F578 HydrophobicContact CD1-CD1 4.4Å; W40-F578 HydrophobicContact CD2-CE2 4.44Å; W40-F578 HydrophobicContact CZ2-CE2 4.44Å; H43-F578 HydrophobicContact CB-CE1 4.17Å; H43-F578 HydrophobicContact CB-CZ 3.95Å; T574-F578 WeakPolarHBondContact O-CB 3.37Å; T574-F578 PolarHBondContact O-N 2.87Å; T575-F578 PolarHBondContact O-N 3.03Å; I576-F578 VanDerWaalsContact C-N 3.32Å; I576-F578 PolarHBondContact O-N 2.97Å; F578-V580 PolarHBondContact O-N 3.47Å; F578-H581 PolarHBondContact O-N 2.74Å; F578-T582 WeakPolarHBondContact O-CB 3.02Å; F578-T582 PolarHBondContact O-N 2.84Å; F578-T582 PolarHBondContact O-OG1 3.41Å; F578-T582 VanDerWaalsContact O-OG1 3.06Å; F578-L638 HydrophobicContact CB-CD2 4.47Å; F578-L638 HydrophobicContact CD2-CB 4.31Å; F578-L638 HydrophobicContact CD2-CD1 4.38Å; F578-L638 HydrophobicContact CD2-CD2 3.74Å; F578-L638 HydrophobicContact CD2-CG 4.38Å; F578-L638 HydrophobicContact CE2-CB 4.17Å; F578-L638 HydrophobicContact CE2-CD1 3.99Å; F578-L638 HydrophobicContact CE2-CD2 4.19Å; F578-L638 HydrophobicContact CE2-CG 4.36Å; F578-L638 HydrophobicContact CG-CD2 4.16Å; F578-L638 HydrophobicContact CZ-CD1 4.28Å; F578-I641 HydrophobicContact CB-CD1 4.02Å; F578-I641 HydrophobicContact CD2-CD1 4.42Å
579	A	93.7	Very high	89.5	Confident	57 Å²	57	37.3 Å²	37.3	47%	0.471	21%	0.205	S	C	.	.	H	α-helix	trans	-62.6	-45.2	-178.7	0	0	0	0	0	112.5	T575 I576 L583	T575-A579 WeakPolarHBondContact O-CB 3.4Å; T575-A579 PolarHBondContact O-N 2.86Å; I576-A579 PolarHBondContact O-N 3.45Å; A579-L583 WeakPolarHBondContact O-CB 3.44Å; A579-L583 PolarHBondContact O-N 3.24Å
580	V	94.3	Very high	90.6	Very high	16 Å²	16	29.5 Å²	29.5	10%	0.097	17%	0.174	C	C	.	.	H	α-helix	trans	-67.1	-42.8	178.9	170.7	0	0	0	0	111.2	R555 L558 L559 I576 F578 L583 S584	R555-V580 HydrophobicContact CG-CG1 4.31Å; L558-V580 HydrophobicContact CB-CG1 3.49Å; L558-V580 VanDerWaalsContact CB-CG1 3.49Å; L558-V580 HydrophobicContact CD1-CG1 4.43Å; L559-V580 HydrophobicContact CD2-CB 3.84Å; L559-V580 HydrophobicContact CD2-CG1 3.86Å; L559-V580 HydrophobicContact CD2-CG2 4.08Å; L559-V580 HydrophobicContact CG-CB 4.38Å; L559-V580 HydrophobicContact CG-CG1 3.82Å; I576-V580 HydrophobicContact CG2-CG2 4.04Å; I576-V580 WeakPolarHBondContact O-CB 3.45Å; I576-V580 VanDerWaalsContact O-CG2 3.31Å; I576-V580 WeakPolarHBondContact O-CG2 3.41Å; I576-V580 PolarHBondContact O-N 3.48Å; F578-V580 PolarHBondContact O-N 3.47Å; V580-L583 PolarHBondContact O-N 3.14Å; V580-S584 WeakPolarHBondContact O-CB 3.31Å; V580-S584 PolarHBondContact O-N 3.46Å; V580-S584 PolarHBondContact O-OG 2.95Å
581	H	95.4	Very high	91.7	Very high	2 Å²	2	27 Å²	27	1%	0.009	15%	0.154	C	C	.	.	H	α-helix	trans	-61.5	-52.7	175.8	-178.3	88.1	0	0	0	110.3	F520 I577 F578 L583 S584 V585 L634 T637 L638	F520-H581 AromaticContact CE2-ND1 3.96Å; I577-H581 WeakPolarHBondContact O-CB 3.42Å; I577-H581 PolarHBondContact O-N 2.92Å; F578-H581 PolarHBondContact O-N 2.74Å; H581-L583 VanDerWaalsContact C-N 3.3Å; H581-L583 PolarHBondContact O-N 3.06Å; H581-S584 WeakPolarHBondContact CA-OG 3.25Å; H581-S584 PolarHBondContact O-N 2.9Å; H581-S584 VanDerWaalsContact O-N 3.08Å; H581-S584 PolarHBondContact O-OG 3.14Å; H581-V585 WeakPolarHBondContact O-CG2 3.17Å; H581-V585 PolarHBondContact O-N 3.18Å; H581-L634 PolarHBondContact NE2-O 3.09Å; H581-T637 WeakPolarHBondContact CE1-CG2 3.4Å; H581-T637 WeakPolarHBondContact ND1-CG2 3.29Å; H581-L638 HydrophobicContact CB-CD2 3.8Å; H581-L638 VanDerWaalsContact CD2-CD2 3.46Å; H581-L638 WeakPolarHBondContact CD2-CD2 3.25Å
582	T	94.5	Very high	92.5	Very high	10 Å²	10	23.4 Å²	23.4	6%	0.061	14%	0.135	C	C	.	.	H	α-helix	trans	-52.1	-48.4	176.3	-66	0	0	0	0	111.3	H43 L46 F578 S584 V585 L586	H43-T582 VanDerWaalsContact ND1-CG2 3.32Å; H43-T582 WeakPolarHBondContact ND1-CG2 3.09Å; H43-T582 PolarHBondContact ND1-OG1 2.97Å; L46-T582 HydrophobicContact CD1-CG2 3.94Å; F578-T582 WeakPolarHBondContact O-CB 3.02Å; F578-T582 PolarHBondContact O-N 2.84Å; F578-T582 PolarHBondContact O-OG1 3.41Å; F578-T582 VanDerWaalsContact O-OG1 3.06Å; T582-S584 PolarHBondContact O-N 3.17Å; T582-V585 VanDerWaalsContact O-CG2 3.25Å; T582-V585 WeakPolarHBondContact O-CG2 3.38Å; T582-V585 PolarHBondContact O-N 3.11Å; T582-L586 HydrophobicContact CG2-CD2 4.36Å; T582-L586 WeakPolarHBondContact O-CG 3.36Å; T582-L586 PolarHBondContact O-N 2.85Å
583	L	93.4	Very high	93	Very high	102 Å²	102	19.4 Å²	19.4	53%	0.534	12%	0.118	S	C	.	.	H	α-helix	trans	-61.1	-44.1	177.6	-178.2	62.2	0	0	0	112.3	A579 V580 H581 V585 L586	A579-L583 WeakPolarHBondContact O-CB 3.44Å; A579-L583 PolarHBondContact O-N 3.24Å; V580-L583 PolarHBondContact O-N 3.14Å; H581-L583 VanDerWaalsContact C-N 3.3Å; H581-L583 PolarHBondContact O-N 3.06Å; L583-V585 VanDerWaalsContact C-N 3.28Å; L583-V585 PolarHBondContact O-N 3.16Å; L583-L586 HydrophobicContact CD1-CD1 4.14Å; L583-L586 PolarHBondContact O-N 2.92Å
584	S	93.7	Very high	93.2	Very high	6 Å²	6	19.1 Å²	19.1	4%	0.042	11%	0.112	C	C	.	.	H	α-helix	trans	-65.2	-29.2	179.7	69.8	0	0	0	0	113.1	F551 V580 H581 T582	F551-S584 WeakPolarHBondContact CB-O 2.85Å; V580-S584 WeakPolarHBondContact O-CB 3.31Å; V580-S584 PolarHBondContact O-N 3.46Å; V580-S584 PolarHBondContact O-OG 2.95Å; H581-S584 WeakPolarHBondContact CA-OG 3.25Å; H581-S584 PolarHBondContact O-N 2.9Å; H581-S584 VanDerWaalsContact O-N 3.08Å; H581-S584 PolarHBondContact O-OG 3.14Å; T582-S584 PolarHBondContact O-N 3.17Å
585	V	94.7	Very high	93.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-92.6	-9.7	-179.6	-61.3	0	0	0	0	114.5	L552 H581 T582 L583 A588 Y589 L634	L552-V585 HydrophobicContact CD2-CG1 3.45Å; L552-V585 VanDerWaalsContact CD2-CG1 3.45Å; H581-V585 WeakPolarHBondContact O-CG2 3.17Å; H581-V585 PolarHBondContact O-N 3.18Å; T582-V585 VanDerWaalsContact O-CG2 3.25Å; T582-V585 WeakPolarHBondContact O-CG2 3.38Å; T582-V585 PolarHBondContact O-N 3.11Å; L583-V585 VanDerWaalsContact C-N 3.28Å; L583-V585 PolarHBondContact O-N 3.16Å; V585-A588 WeakPolarHBondContact O-CA 2.92Å; V585-A588 WeakPolarHBondContact O-CB 3.42Å; V585-A588 PolarHBondContact O-N 3.3Å; V585-Y589 HydrophobicContact CB-CD2 4.33Å; V585-Y589 HydrophobicContact CB-CE2 4.03Å; V585-Y589 HydrophobicContact CG2-CD2 3.86Å; V585-Y589 HydrophobicContact CG2-CE2 3.25Å; V585-Y589 WeakPolarHBondContact O-CD2 3.06Å; V585-Y589 PolarHBondContact O-N 3.14Å; V585-L634 HydrophobicContact CG1-CD2 4.43Å
586	L	93.7	Very high	93.2	Very high	44 Å²	44	20.2 Å²	20.2	23%	0.23	12%	0.12	C	C	.	.	H	α-helix	trans	-53.3	-46.7	179.7	-64.7	179.6	0	0	0	112.5	L50 T582 L583 A588 Y589 V590	L50-L586 HydrophobicContact CD1-CD2 3.98Å; T582-L586 HydrophobicContact CG2-CD2 4.36Å; T582-L586 WeakPolarHBondContact O-CG 3.36Å; T582-L586 PolarHBondContact O-N 2.85Å; L583-L586 HydrophobicContact CD1-CD1 4.14Å; L583-L586 PolarHBondContact O-N 2.92Å; L586-A588 VanDerWaalsContact C-N 3.33Å; L586-A588 PolarHBondContact O-N 2.84Å; L586-Y589 PolarHBondContact O-N 2.95Å; L586-V590 PolarHBondContact O-N 2.8Å; L586-V590 VanDerWaalsContact O-N 3.14Å
587	P	92.9	Very high	93.2	Very high	42 Å²	42	20 Å²	20	27%	0.273	12%	0.119	S	C	.	.	H	α-helix	trans	-63.3	-39.9	177.2	-21.8	35.3	0	0	0	112	F551 Y589 V590 F591	F551-P587 HydrophobicContact CD1-CB 3.75Å; F551-P587 HydrophobicContact CD1-CG 3.72Å; F551-P587 HydrophobicContact CD2-CB 3.61Å; F551-P587 HydrophobicContact CD2-CG 4.45Å; F551-P587 HydrophobicContact CE1-CB 3.7Å; F551-P587 HydrophobicContact CE1-CG 3.82Å; F551-P587 HydrophobicContact CE2-CB 3.58Å; F551-P587 HydrophobicContact CG-CB 3.72Å; F551-P587 HydrophobicContact CG-CG 4.07Å; F551-P587 HydrophobicContact CZ-CB 3.63Å; F551-P587 HydrophobicContact CZ-CG 4.26Å; P587-Y589 VanDerWaalsContact C-N 3.31Å; P587-Y589 PolarHBondContact O-N 2.63Å; P587-V590 WeakPolarHBondContact O-CB 3.43Å; P587-V590 PolarHBondContact O-N 2.88Å; P587-V590 VanDerWaalsContact O-N 3.12Å; P587-F591 VanDerWaalsContact O-CD2 3.26Å; P587-F591 WeakPolarHBondContact O-CD2 3Å; P587-F591 PolarHBondContact O-N 2.96Å
588	A	94.1	Very high	92.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.2	-38.9	175.8	0	0	0	0	0	112	I548 V585 L586 V590 F591 V592 L634	I548-A588 HydrophobicContact CG1-CB 4.16Å; I548-A588 HydrophobicContact CG2-CB 4.45Å; V585-A588 WeakPolarHBondContact O-CA 2.92Å; V585-A588 WeakPolarHBondContact O-CB 3.42Å; V585-A588 PolarHBondContact O-N 3.3Å; L586-A588 VanDerWaalsContact C-N 3.33Å; L586-A588 PolarHBondContact O-N 2.84Å; A588-V590 VanDerWaalsContact C-N 3.33Å; A588-V590 PolarHBondContact O-N 3.02Å; A588-F591 PolarHBondContact O-N 2.88Å; A588-V592 WeakPolarHBondContact O-CG2 3.42Å; A588-V592 PolarHBondContact O-N 3.49Å; A588-L634 HydrophobicContact CB-CD1 4.18Å; A588-L634 HydrophobicContact CB-CD2 4.21Å
589	Y	95	Very high	92.4	Very high	5 Å²	5	22.3 Å²	22.3	2%	0.02	13%	0.131	C	C	.	.	H	α-helix	trans	-63.8	-36.2	173.8	-73.1	-49.1	0	0	0	112.9	H43 L47 V585 L586 P587 F591 V592 I593 L634 M635	H43-Y589 AromaticContact CE1-CE2 3.7Å; H43-Y589 AromaticContact NE2-CE2 3.77Å; H43-Y589 AromaticContact NE2-CZ 3.77Å; H43-Y589 PolarHBondContact NE2-OH 2.56Å; L47-Y589 HydrophobicContact CD2-CD1 3.58Å; L47-Y589 HydrophobicContact CD2-CD2 3.46Å; L47-Y589 VanDerWaalsContact CD2-CD2 3.46Å; L47-Y589 HydrophobicContact CD2-CE1 3.81Å; L47-Y589 HydrophobicContact CD2-CE2 3.67Å; L47-Y589 HydrophobicContact CD2-CG 3.42Å; L47-Y589 VanDerWaalsContact CD2-CG 3.42Å; V585-Y589 HydrophobicContact CB-CD2 4.33Å; V585-Y589 HydrophobicContact CB-CE2 4.03Å; V585-Y589 HydrophobicContact CG2-CD2 3.86Å; V585-Y589 HydrophobicContact CG2-CE2 3.25Å; V585-Y589 WeakPolarHBondContact O-CD2 3.06Å; V585-Y589 PolarHBondContact O-N 3.14Å; L586-Y589 PolarHBondContact O-N 2.95Å; P587-Y589 VanDerWaalsContact C-N 3.31Å; P587-Y589 PolarHBondContact O-N 2.63Å; Y589-F591 PolarHBondContact O-N 3.43Å; Y589-V592 PolarHBondContact O-N 2.46Å; Y589-I593 VanDerWaalsContact O-CB 3.26Å; Y589-I593 WeakPolarHBondContact O-CB 3.22Å; Y589-I593 VanDerWaalsContact O-CG1 3.22Å; Y589-I593 WeakPolarHBondContact O-CG1 3.16Å; Y589-I593 PolarHBondContact O-N 2.91Å; Y589-L634 HydrophobicContact CD1-CD1 3.79Å; Y589-L634 HydrophobicContact CE1-CB 3.9Å; Y589-L634 HydrophobicContact CE1-CD1 3.74Å; Y589-L634 HydrophobicContact CE1-CG 4.48Å; Y589-M635 HydrophobicContact CE1-CE 3.77Å; Y589-M635 WeakPolarHBondContact OH-CG 3.33Å
590	V	93.5	Very high	92.2	Very high	28 Å²	28	19.9 Å²	19.9	17%	0.17	11%	0.11	C	C	.	.	H	α-helix	trans	-58.4	-48.1	174.2	174.9	0	0	0	0	110.4	L50 L384 L586 P587 A588 V592 I593 Y594	L50-V590 HydrophobicContact CD1-CG2 4.45Å; L50-V590 HydrophobicContact CD2-CG2 3.9Å; L384-V590 HydrophobicContact CD1-CG1 4.07Å; L384-V590 HydrophobicContact CD2-CG1 3.92Å; L384-V590 HydrophobicContact CG-CG1 4.16Å; L586-V590 PolarHBondContact O-N 2.8Å; L586-V590 VanDerWaalsContact O-N 3.14Å; P587-V590 WeakPolarHBondContact O-CB 3.43Å; P587-V590 PolarHBondContact O-N 2.88Å; P587-V590 VanDerWaalsContact O-N 3.12Å; A588-V590 VanDerWaalsContact C-N 3.33Å; A588-V590 PolarHBondContact O-N 3.02Å; V590-V592 PolarHBondContact O-N 2.84Å; V590-I593 PolarHBondContact O-N 3.08Å; V590-Y594 WeakPolarHBondContact O-CB 3.27Å; V590-Y594 PolarHBondContact O-N 3.45Å
591	F	90.6	Very high	91.7	Very high	15 Å²	15	20.5 Å²	20.5	7%	0.066	12%	0.115	C	C	.	.	H	α-helix	trans	-59.9	-43.7	176.3	-77.8	-85.1	0	0	0	112.6	F381 M383 Y543 Y544 F547 F551 P587 A588 Y589 G595	F381-F591 HydrophobicContact CD2-CE1 4.29Å; F381-F591 AromaticContact CE2-CE1 3.85Å; F381-F591 HydrophobicContact CE2-CE1 3.85Å; F381-F591 HydrophobicContact CE2-CZ 4.21Å; F381-F591 HydrophobicContact CZ-CE1 4.45Å; M383-F591 HydrophobicContact CE-CE1 4.17Å; M383-F591 HydrophobicContact CE-CE2 3.69Å; M383-F591 HydrophobicContact CE-CZ 3.36Å; M383-F591 HydrophobicContact SD-CE1 3.56Å; M383-F591 VanDerWaalsContact SD-CE1 3.56Å; M383-F591 HydrophobicContact SD-CE2 4.19Å; M383-F591 HydrophobicContact SD-CZ 3.35Å; M383-F591 WeakPolarHBondContact SD-CZ 3.47Å; Y543-F591 HydrophobicContact CE2-CE1 4.28Å; Y544-F591 HydrophobicContact CE2-CB 4.31Å; F547-F591 HydrophobicContact CB-CD2 4.39Å; F547-F591 HydrophobicContact CB-CE1 4.37Å; F547-F591 HydrophobicContact CB-CE2 3.98Å; F547-F591 HydrophobicContact CB-CZ 3.94Å; F547-F591 HydrophobicContact CD1-CE2 4.22Å; F547-F591 AromaticContact CD1-CZ 3.87Å; F547-F591 HydrophobicContact CD1-CZ 3.87Å; F547-F591 HydrophobicContact CD2-CZ 4.46Å; F547-F591 HydrophobicContact CG-CE1 4.35Å; F547-F591 HydrophobicContact CG-CE2 4.26Å; F547-F591 AromaticContact CG-CZ 3.83Å; F547-F591 HydrophobicContact CG-CZ 3.83Å; F551-F591 AromaticContact CE2-CE2 3.94Å; F551-F591 HydrophobicContact CE2-CE2 3.94Å; P587-F591 VanDerWaalsContact O-CD2 3.26Å; P587-F591 WeakPolarHBondContact O-CD2 3Å; P587-F591 PolarHBondContact O-N 2.96Å; A588-F591 PolarHBondContact O-N 2.88Å; Y589-F591 PolarHBondContact O-N 3.43Å; F591-G595 PolarHBondContact O-N 3.46Å
592	V	93.4	Very high	91.1	Very high	7 Å²	7	21.7 Å²	21.7	4%	0.042	12%	0.122	C	C	.	.	H	α-helix	trans	-65.6	-45.7	-179.3	177.1	0	0	0	0	111.9	Y544 I548 A588 Y589 V590 Y596 T627 T630 L634	Y544-V592 VanDerWaalsContact OH-CA 3.3Å; Y544-V592 WeakPolarHBondContact OH-CA 3.28Å; Y544-V592 WeakPolarHBondContact OH-CG2 3.18Å; I548-V592 HydrophobicContact CD1-CG2 4.19Å; A588-V592 WeakPolarHBondContact O-CG2 3.42Å; A588-V592 PolarHBondContact O-N 3.49Å; Y589-V592 PolarHBondContact O-N 2.46Å; V590-V592 PolarHBondContact O-N 2.84Å; V592-Y596 VanDerWaalsContact O-CB 3.26Å; V592-Y596 WeakPolarHBondContact O-CB 3.21Å; V592-Y596 PolarHBondContact O-N 3.18Å; V592-Y596 VanDerWaalsContact O-N 3.1Å; V592-T627 HydrophobicContact CG1-CG2 3.99Å; V592-T630 HydrophobicContact CG2-CG2 3.73Å; V592-L634 HydrophobicContact CG2-CD1 4.05Å
593	I	94.2	Very high	90.7	Very high	22 Å²	22	22.2 Å²	22.2	11%	0.113	12%	0.124	C	C	.	.	H	α-helix	trans	-70.7	-48.4	-177.6	-71.4	170.3	0	0	0	111.1	L50 F51 C54 Y589 V590 Y596 I597	L50-I593 HydrophobicContact CB-CD1 3.93Å; F51-I593 HydrophobicContact CB-CG2 4.29Å; F51-I593 HydrophobicContact CD2-CG2 3.91Å; C54-I593 HydrophobicContact CB-CG2 3.76Å; Y589-I593 VanDerWaalsContact O-CB 3.26Å; Y589-I593 WeakPolarHBondContact O-CB 3.22Å; Y589-I593 VanDerWaalsContact O-CG1 3.22Å; Y589-I593 WeakPolarHBondContact O-CG1 3.16Å; Y589-I593 PolarHBondContact O-N 2.91Å; V590-I593 PolarHBondContact O-N 3.08Å; I593-Y596 WeakPolarHBondContact O-CB 3.44Å; I593-Y596 PolarHBondContact O-N 3.01Å; I593-I597 HydrophobicContact CG2-CD1 3.83Å; I593-I597 WeakPolarHBondContact O-CG1 3.36Å; I593-I597 PolarHBondContact O-N 3.31Å
594	Y	91.2	Very high	90.5	Very high	14 Å²	14	17.4 Å²	17.4	6%	0.055	10%	0.099	C	C	.	.	H	α-helix	trans	-64	-48.7	-178.4	-174.8	-118.2	0	0	0	111.1	D58 D382 L384 V590 Y596 I597 E598	D58-Y594 HydrophobicContact CB-CE2 4.24Å; D382-Y594 WeakPolarHBondContact OD1-CE1 3.46Å; D382-Y594 PolarHBondContact OD1-OH 2.98Å; L384-Y594 HydrophobicContact CD2-CD1 4.31Å; L384-Y594 HydrophobicContact CD2-CD2 3.59Å; L384-Y594 HydrophobicContact CD2-CE2 4.06Å; L384-Y594 HydrophobicContact CD2-CG 3.73Å; V590-Y594 WeakPolarHBondContact O-CB 3.27Å; V590-Y594 PolarHBondContact O-N 3.45Å; Y594-Y596 PolarHBondContact O-N 2.77Å; Y594-I597 WeakPolarHBondContact O-CB 3.41Å; Y594-I597 PolarHBondContact O-N 2.85Å; Y594-E598 HydrophobicContact CD1-CG 4.49Å; Y594-E598 VanDerWaalsContact CE1-CD 3.46Å; Y594-E598 HydrophobicContact CE1-CG 4.19Å; Y594-E598 WeakPolarHBondContact CE1-OE1 2.71Å; Y594-E598 HydrophobicContact CE2-CG 4.22Å; Y594-E598 PolarHBondContact O-N 3.17Å; Y594-E598 PolarHBondContact OH-OE1 3.22Å; Y594-E598 VanDerWaalsContact OH-OE1 3.06Å
595	G	89.7	Confident	90.2	Very high	18 Å²	18	17.2 Å²	17.2	19%	0.186	10%	0.097	C	C	.	.	H	α-helix	trans	-60.3	-33.5	175.4	0	0	0	0	0	112.9	F591 L599	F591-G595 PolarHBondContact O-N 3.46Å; G595-L599 WeakPolarHBondContact O-CB 3.41Å; G595-L599 PolarHBondContact O-N 3.18Å; G595-L599 VanDerWaalsContact O-N 3.09Å
596	Y	91.6	Very high	89.8	Confident	22 Å²	22	18.8 Å²	18.8	9%	0.086	11%	0.105	C	C	.	.	H	α-helix	trans	-67	-42.1	173.1	175.4	-96	0	0	0	112.6	L481 L482 V486 V592 I593 Y594 S600 F623 T627	L481-Y596 WeakPolarHBondContact CB-OH 3.05Å; L482-Y596 PolarHBondContact N-OH 2.76Å; V486-Y596 HydrophobicContact CG2-CE2 3.75Å; V592-Y596 VanDerWaalsContact O-CB 3.26Å; V592-Y596 WeakPolarHBondContact O-CB 3.21Å; V592-Y596 PolarHBondContact O-N 3.18Å; V592-Y596 VanDerWaalsContact O-N 3.1Å; I593-Y596 WeakPolarHBondContact O-CB 3.44Å; I593-Y596 PolarHBondContact O-N 3.01Å; Y594-Y596 PolarHBondContact O-N 2.77Å; Y596-S600 WeakPolarHBondContact O-CB 3.42Å; Y596-S600 PolarHBondContact O-N 3.07Å; Y596-S600 PolarHBondContact O-OG 2.8Å; Y596-F623 AromaticContact CD2-CE1 3.63Å; Y596-F623 HydrophobicContact CD2-CE1 3.63Å; Y596-F623 AromaticContact CD2-CZ 3.58Å; Y596-F623 HydrophobicContact CD2-CZ 3.58Å; Y596-F623 HydrophobicContact CE2-CD1 4.49Å; Y596-F623 AromaticContact CE2-CE1 3.72Å; Y596-F623 HydrophobicContact CE2-CE1 3.72Å; Y596-F623 HydrophobicContact CE2-CZ 4.16Å; Y596-F623 HydrophobicContact CG-CZ 4.41Å; Y596-T627 HydrophobicContact CD2-CG2 3.86Å; Y596-T627 HydrophobicContact CG-CG2 4.28Å
597	I	90.2	Very high	89.6	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.9	-49.7	178.5	-72.8	163.1	0	0	0	111.1	F51 C54 R55 D58 I593 Y594 S601	F51-I597 HydrophobicContact CD2-CD1 4.33Å; F51-I597 HydrophobicContact CE2-CD1 4.19Å; F51-I597 HydrophobicContact CE2-CG1 4.22Å; C54-I597 HydrophobicContact CB-CD1 3.8Å; R55-I597 HydrophobicContact CG-CD1 3.77Å; D58-I597 HydrophobicContact CB-CG2 4.38Å; D58-I597 WeakPolarHBondContact OD2-CG2 3.3Å; I593-I597 HydrophobicContact CG2-CD1 3.83Å; I593-I597 WeakPolarHBondContact O-CG1 3.36Å; I593-I597 PolarHBondContact O-N 3.31Å; Y594-I597 WeakPolarHBondContact O-CB 3.41Å; Y594-I597 PolarHBondContact O-N 2.85Å; I597-S601 WeakPolarHBondContact O-CB 3.15Å; I597-S601 PolarHBondContact O-N 2.74Å; I597-S601 PolarHBondContact O-OG 3.35Å
598	E	85.1	Confident	89.4	Confident	27 Å²	27	15.2 Å²	15.2	13%	0.126	8%	0.084	C	C	.	.	H	α-helix	trans	-60.3	-52.8	179.4	-69.9	-173.8	144.1	0	0	111	H289 Y594 S600 S601 L602	H289-E598 IonicContact CE1-OE1 3.02Å; H289-E598 IonicContact NE2-OE1 2.72Å; Y594-E598 HydrophobicContact CD1-CG 4.49Å; Y594-E598 VanDerWaalsContact CE1-CD 3.46Å; Y594-E598 HydrophobicContact CE1-CG 4.19Å; Y594-E598 WeakPolarHBondContact CE1-OE1 2.71Å; Y594-E598 HydrophobicContact CE2-CG 4.22Å; Y594-E598 PolarHBondContact O-N 3.17Å; Y594-E598 PolarHBondContact OH-OE1 3.22Å; Y594-E598 VanDerWaalsContact OH-OE1 3.06Å; E598-S600 VanDerWaalsContact C-N 3.35Å; E598-S600 PolarHBondContact O-N 3.05Å; E598-S601 WeakPolarHBondContact O-CB 3.31Å; E598-S601 PolarHBondContact O-N 3Å; E598-S601 VanDerWaalsContact O-N 3.12Å; E598-L602 PolarHBondContact O-N 3.01Å; E598-L602 VanDerWaalsContact O-N 3.11Å
599	L	86.2	Confident	88.9	Confident	32 Å²	32	17.2 Å²	17.2	17%	0.168	9%	0.092	C	C	.	.	H	α-helix	trans	-67.4	-36.2	-175.8	-172.9	55.8	0	0	0	111.9	L297 G595 L602 M603 F623	L297-L599 HydrophobicContact CD2-CD1 3.73Å; G595-L599 WeakPolarHBondContact O-CB 3.41Å; G595-L599 PolarHBondContact O-N 3.18Å; G595-L599 VanDerWaalsContact O-N 3.09Å; L599-L602 PolarHBondContact O-N 3.27Å; L599-M603 HydrophobicContact CD1-CG 3.65Å; L599-M603 HydrophobicContact CD1-SD 3.46Å; L599-M603 WeakPolarHBondContact CD1-SD 3.39Å; L599-M603 HydrophobicContact CD2-SD 4.03Å; L599-M603 HydrophobicContact CG-CG 4.07Å; L599-M603 HydrophobicContact CG-SD 3.51Å; L599-M603 VanDerWaalsContact CG-SD 3.51Å; L599-M603 VanDerWaalsContact O-CB 3.28Å; L599-M603 WeakPolarHBondContact O-CB 3.48Å; L599-M603 VanDerWaalsContact O-CG 3.31Å; L599-M603 WeakPolarHBondContact O-CG 3Å; L599-M603 PolarHBondContact O-N 3.14Å; L599-F623 HydrophobicContact CB-CE2 4.25Å; L599-F623 HydrophobicContact CB-CZ 3.91Å; L599-F623 HydrophobicContact CD2-CD2 3.71Å; L599-F623 HydrophobicContact CD2-CE2 3.19Å; L599-F623 HydrophobicContact CD2-CZ 3.72Å; L599-F623 HydrophobicContact CG-CD2 4.48Å; L599-F623 HydrophobicContact CG-CE2 3.88Å; L599-F623 HydrophobicContact CG-CZ 3.87Å
600	S	88.5	Confident	88.4	Confident	6 Å²	6	17.7 Å²	17.7	4%	0.042	10%	0.095	C	C	.	.	H	α-helix	trans	-65.3	-38.9	172.6	-59.6	0	0	0	0	112	Y596 E598 L602 V604	Y596-S600 WeakPolarHBondContact O-CB 3.42Å; Y596-S600 PolarHBondContact O-N 3.07Å; Y596-S600 PolarHBondContact O-OG 2.8Å; E598-S600 VanDerWaalsContact C-N 3.35Å; E598-S600 PolarHBondContact O-N 3.05Å; S600-L602 VanDerWaalsContact C-N 3.25Å; S600-L602 PolarHBondContact O-N 3.05Å; S600-V604 VanDerWaalsContact O-CB 3.29Å; S600-V604 WeakPolarHBondContact O-CB 3.49Å; S600-V604 VanDerWaalsContact O-CG2 3.25Å; S600-V604 WeakPolarHBondContact O-CG2 3.5Å; S600-V604 PolarHBondContact O-N 3.35Å
601	S	84.4	Confident	88.1	Confident	29 Å²	29	16.4 Å²	16.4	20%	0.203	9%	0.087	C	C	.	.	H	α-helix	trans	-62.4	-35.9	178.3	-58.7	0	0	0	0	111.7	K327 I597 E598 P605	K327-S601 PolarHBondContact NZ-OG 3.03Å; I597-S601 WeakPolarHBondContact O-CB 3.15Å; I597-S601 PolarHBondContact O-N 2.74Å; I597-S601 PolarHBondContact O-OG 3.35Å; E598-S601 WeakPolarHBondContact O-CB 3.31Å; E598-S601 PolarHBondContact O-N 3Å; E598-S601 VanDerWaalsContact O-N 3.12Å; S601-P605 VanDerWaalsContact O-CD 3.25Å; S601-P605 WeakPolarHBondContact O-CD 3.2Å
602	L	83.1	Confident	87.9	Confident	26 Å²	26	16.8 Å²	16.8	14%	0.136	9%	0.092	C	C	.	.	H	α-helix	trans	-78.7	-52.1	176.5	-178.9	66	0	0	0	112.5	L297 F298 L303 V326 E598 L599 S600 I606	L297-L602 HydrophobicContact CD2-CD2 4.32Å; F298-L602 HydrophobicContact CE2-CD1 4.26Å; F298-L602 HydrophobicContact CE2-CD2 3.95Å; F298-L602 HydrophobicContact CZ-CD1 3.84Å; F298-L602 HydrophobicContact CZ-CD2 4.17Å; L303-L602 HydrophobicContact CD1-CD2 3.92Å; L303-L602 HydrophobicContact CD1-CG 4.28Å; V326-L602 HydrophobicContact CB-CD1 4.45Å; V326-L602 HydrophobicContact CG1-CD1 4.45Å; E598-L602 PolarHBondContact O-N 3.01Å; E598-L602 VanDerWaalsContact O-N 3.11Å; L599-L602 PolarHBondContact O-N 3.27Å; S600-L602 VanDerWaalsContact C-N 3.25Å; S600-L602 PolarHBondContact O-N 3.05Å; L602-I606 HydrophobicContact CD1-CD1 3.74Å; L602-I606 HydrophobicContact CG-CD1 4.08Å; L602-I606 WeakPolarHBondContact O-CD1 3.43Å; L602-I606 WeakPolarHBondContact O-CG1 3.49Å
603	M	84.8	Confident	87.6	Confident	21 Å²	21	20.5 Å²	20.5	10%	0.103	11%	0.114	C	C	.	.	H	α-helix	trans	-72.8	-36.2	-170.2	-70.8	-176.7	72.5	0	0	113.1	L599 I606 L607 I619	L599-M603 HydrophobicContact CD1-CG 3.65Å; L599-M603 HydrophobicContact CD1-SD 3.46Å; L599-M603 WeakPolarHBondContact CD1-SD 3.39Å; L599-M603 HydrophobicContact CD2-SD 4.03Å; L599-M603 HydrophobicContact CG-CG 4.07Å; L599-M603 HydrophobicContact CG-SD 3.51Å; L599-M603 VanDerWaalsContact CG-SD 3.51Å; L599-M603 VanDerWaalsContact O-CB 3.28Å; L599-M603 WeakPolarHBondContact O-CB 3.48Å; L599-M603 VanDerWaalsContact O-CG 3.31Å; L599-M603 WeakPolarHBondContact O-CG 3Å; L599-M603 PolarHBondContact O-N 3.14Å; M603-I606 PolarHBondContact O-N 3.04Å; M603-L607 HydrophobicContact CB-CD1 4.19Å; M603-L607 HydrophobicContact CB-CG 4.42Å; M603-L607 HydrophobicContact CE-CD1 3.6Å; M603-L607 HydrophobicContact CE-CG 4.44Å; M603-L607 VanDerWaalsContact O-CB 3.24Å; M603-L607 WeakPolarHBondContact O-CB 3.39Å; M603-L607 WeakPolarHBondContact O-CG 3.35Å; M603-L607 PolarHBondContact O-N 3.38Å; M603-I619 HydrophobicContact CE-CG2 3.62Å
604	V	89.8	Confident	87.1	Confident	2 Å²	2	21.7 Å²	21.7	1%	0.012	12%	0.122	C	C	.	.	H	α-helix	trans	-59.6	-53.4	-174.5	164.5	0	0	0	0	111.8	Y330 W474 Y475 L481 S600 I606 A608	Y330-V604 HydrophobicContact CE1-CG1 4Å; Y330-V604 VanDerWaalsContact OH-CG1 3.24Å; Y330-V604 WeakPolarHBondContact OH-CG1 2.92Å; W474-V604 HydrophobicContact CE3-CB 4.16Å; W474-V604 HydrophobicContact CE3-CG1 3.72Å; W474-V604 HydrophobicContact CE3-CG2 3.85Å; W474-V604 HydrophobicContact CZ3-CB 4.17Å; W474-V604 HydrophobicContact CZ3-CG1 3.88Å; W474-V604 HydrophobicContact CZ3-CG2 4.22Å; W474-V604 WeakPolarHBondContact CZ3-O 3.21Å; Y475-V604 HydrophobicContact CD2-CG1 4.25Å; L481-V604 HydrophobicContact CD1-CG2 3.56Å; L481-V604 HydrophobicContact CG-CG2 4.48Å; S600-V604 VanDerWaalsContact O-CB 3.29Å; S600-V604 WeakPolarHBondContact O-CB 3.49Å; S600-V604 VanDerWaalsContact O-CG2 3.25Å; S600-V604 WeakPolarHBondContact O-CG2 3.5Å; S600-V604 PolarHBondContact O-N 3.35Å; V604-I606 VanDerWaalsContact C-N 3.32Å; V604-I606 PolarHBondContact O-N 2.99Å; V604-A608 WeakPolarHBondContact O-CB 3.24Å; V604-A608 PolarHBondContact O-N 3.16Å
605	P	87.6	Confident	87.1	Confident	2 Å²	2	23 Å²	23	1%	0.013	13%	0.13	C	C	.	.	H	α-helix	trans	-68.7	-30	-179.1	-19.6	33.5	0	0	0	113.8	G329 Y330 S601 R609	G329-P605 WeakPolarHBondContact O-CB 3.39Å; Y330-P605 HydrophobicContact CD1-CG 4.43Å; Y330-P605 HydrophobicContact CD2-CG 4.11Å; Y330-P605 HydrophobicContact CE1-CG 4.29Å; Y330-P605 HydrophobicContact CE2-CG 3.98Å; Y330-P605 HydrophobicContact CG-CG 4.33Å; S601-P605 VanDerWaalsContact O-CD 3.25Å; S601-P605 WeakPolarHBondContact O-CD 3.2Å; P605-R609 WeakPolarHBondContact O-CG 3.41Å; P605-R609 PolarHBondContact O-NE 2.79Å
606	I	86.5	Confident	87.2	Confident	33 Å²	33	22.2 Å²	22.2	17%	0.169	12%	0.121	C	C	.	.	H	α-helix	trans	-73.5	-53.9	178.8	-62	171.9	0	0	0	110.2	L303 L602 M603 V604 A608 R609 V610	L303-I606 HydrophobicContact CD1-CD1 4.08Å; L303-I606 HydrophobicContact CD2-CD1 4.28Å; L303-I606 HydrophobicContact CD2-CG2 3.96Å; L602-I606 HydrophobicContact CD1-CD1 3.74Å; L602-I606 HydrophobicContact CG-CD1 4.08Å; L602-I606 WeakPolarHBondContact O-CD1 3.43Å; L602-I606 WeakPolarHBondContact O-CG1 3.49Å; M603-I606 PolarHBondContact O-N 3.04Å; V604-I606 VanDerWaalsContact C-N 3.32Å; V604-I606 PolarHBondContact O-N 2.99Å; I606-A608 PolarHBondContact O-N 2.72Å; I606-R609 CarbonylContact O-C 3.57Å; I606-R609 WeakPolarHBondContact O-CA 3.49Å; I606-R609 PolarHBondContact O-N 2.85Å; I606-V610 HydrophobicContact CG2-CG1 4.13Å; I606-V610 WeakPolarHBondContact O-CG1 3.14Å; I606-V610 PolarHBondContact O-N 3.32Å
607	L	89.2	Confident	87.2	Confident	8 Å²	8	21.2 Å²	21.2	4%	0.042	12%	0.118	C	C	.	.	H	α-helix	trans	-65.1	-21.8	-177.4	-69.5	-175.1	0	0	0	113.5	W474 M603 R609 V610 A616 I619 V620	W474-L607 HydrophobicContact CH2-CB 3.98Å; M603-L607 HydrophobicContact CB-CD1 4.19Å; M603-L607 HydrophobicContact CB-CG 4.42Å; M603-L607 HydrophobicContact CE-CD1 3.6Å; M603-L607 HydrophobicContact CE-CG 4.44Å; M603-L607 VanDerWaalsContact O-CB 3.24Å; M603-L607 WeakPolarHBondContact O-CB 3.39Å; M603-L607 WeakPolarHBondContact O-CG 3.35Å; M603-L607 PolarHBondContact O-N 3.38Å; L607-R609 PolarHBondContact O-N 2.88Å; L607-V610 HydrophobicContact CD2-CG1 4.27Å; L607-V610 HydrophobicContact CD2-CG2 4.49Å; L607-V610 WeakPolarHBondContact O-CG2 3.27Å; L607-A616 HydrophobicContact CB-CB 4.16Å; L607-A616 VanDerWaalsContact O-CB 3.24Å; L607-A616 WeakPolarHBondContact O-CB 3.08Å; L607-I619 HydrophobicContact CD1-CB 4.07Å; L607-I619 HydrophobicContact CD1-CG2 3.72Å; L607-I619 HydrophobicContact CD2-CD1 3.95Å; L607-I619 HydrophobicContact CD2-CG2 4.41Å; L607-V620 HydrophobicContact CD1-CG2 3.64Å
608	A	88	Confident	87.4	Confident	2 Å²	2	26.7 Å²	26.7	2%	0.017	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-12.4	170.9	0	0	0	0	0	113.4	W474 Y475 V604 I606 D712	W474-A608 HydrophobicContact CH2-CB 4.44Å; W474-A608 HydrophobicContact CZ3-CB 4.35Å; Y475-A608 HydrophobicContact CD1-CB 4.43Å; Y475-A608 HydrophobicContact CD2-CB 3.08Å; Y475-A608 HydrophobicContact CE2-CB 3.47Å; Y475-A608 VanDerWaalsContact CE2-CB 3.47Å; Y475-A608 HydrophobicContact CG-CB 3.62Å; V604-A608 WeakPolarHBondContact O-CB 3.24Å; V604-A608 PolarHBondContact O-N 3.16Å; I606-A608 PolarHBondContact O-N 2.72Å; A608-D712 VanDerWaalsContact O-CA 3.31Å; A608-D712 WeakPolarHBondContact O-CA 3.47Å; A608-D712 WeakPolarHBondContact O-CB 3.41Å
609	R	84.9	Confident	87.8	Confident	43 Å²	43	28.3 Å²	28.3	16%	0.162	15%	0.15	C	C	.	.	S	Bend	trans	-126.7	8.5	-171.5	-57.8	-176.6	-65.2	128.6	-8.1	114.7	P605 I606 L607 G611 L711	P605-R609 WeakPolarHBondContact O-CG 3.41Å; P605-R609 PolarHBondContact O-NE 2.79Å; I606-R609 CarbonylContact O-C 3.57Å; I606-R609 WeakPolarHBondContact O-CA 3.49Å; I606-R609 PolarHBondContact O-N 2.85Å; L607-R609 PolarHBondContact O-N 2.88Å; R609-G611 PolarHBondContact O-N 3.09Å; R609-L711 CarbonylContact C-O 3.59Å; R609-L711 WeakPolarHBondContact CA-O 3.32Å; R609-L711 VanDerWaalsContact O-O 3.1Å
610	V	84.5	Confident	88.1	Confident	15 Å²	15	27 Å²	27	9%	0.091	14%	0.144	C	C	.	.	S	Bend	trans	-75.3	-1.3	179.6	-69.1	0	0	0	0	113.9	I606 L607 V614	I606-V610 HydrophobicContact CG2-CG1 4.13Å; I606-V610 WeakPolarHBondContact O-CG1 3.14Å; I606-V610 PolarHBondContact O-N 3.32Å; L607-V610 HydrophobicContact CD2-CG1 4.27Å; L607-V610 HydrophobicContact CD2-CG2 4.49Å; L607-V610 WeakPolarHBondContact O-CG2 3.27Å; V610-V614 HydrophobicContact CB-CB 4.33Å; V610-V614 HydrophobicContact CG2-CB 3.73Å; V610-V614 HydrophobicContact CG2-CG1 3.86Å; V610-V614 HydrophobicContact CG2-CG2 4.45Å
611	G	85.8	Confident	88.4	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.			trans	94.4	173.4	179.4	0	0	0	0	0	115.6	R609 V613 L711	R609-G611 PolarHBondContact O-N 3.09Å; G611-V613 VanDerWaalsContact C-N 3.31Å; G611-V613 PolarHBondContact O-N 3.34Å; G611-L711 WeakPolarHBondContact CA-O 3.42Å; G611-L711 PolarHBondContact N-O 2.97Å
612	P	86.6	Confident	88.9	Confident	24 Å²	24	31.4 Å²	31.4	16%	0.156	16%	0.164	C	C	.	.	S	Bend	trans	-72.6	-16.6	-174.3	28.4	-36.7	0	0	0	114.9	N751 Q756	P612-N751 WeakPolarHBondContact CD-O 3.34Å; P612-Q756 HydrophobicContact CB-CB 4.08Å; P612-Q756 HydrophobicContact CB-CG 3.94Å; P612-Q756 HydrophobicContact CG-CB 3.59Å; P612-Q756 HydrophobicContact CG-CG 3.81Å
613	V	86.8	Confident	89.3	Confident	85 Å²	85	31.7 Å²	31.7	52%	0.515	16%	0.164	S	C	.	.	S	Bend	trans	-79.3	-39.6	-177.2	178.4	0	0	0	0	111.6	G611 N615 P753	G611-V613 VanDerWaalsContact C-N 3.31Å; G611-V613 PolarHBondContact O-N 3.34Å; V613-N615 PolarHBondContact O-N 3.25Å; V613-P753 HydrophobicContact CG2-CG 3.61Å
614	V	85.6	Confident	89.8	Confident	46 Å²	46	30.9 Å²	30.9	28%	0.279	16%	0.161	S	C	.	.	S	Bend	trans	-82.2	120.8	-179.6	179.7	0	0	0	0	108.9	V610 A616 I619	V610-V614 HydrophobicContact CB-CB 4.33Å; V610-V614 HydrophobicContact CG2-CB 3.73Å; V610-V614 HydrophobicContact CG2-CG1 3.86Å; V610-V614 HydrophobicContact CG2-CG2 4.45Å; V614-A616 PolarHBondContact O-N 3.14Å; V614-I619 HydrophobicContact CG1-CD1 3.63Å
615	N	89.7	Confident	90.2	Very high	43 Å²	43	31.4 Å²	31.4	23%	0.23	16%	0.164	C	C	.	.			trans	-78.4	89.8	175.4	-172.3	-38.9	0	0	0	110	V613 E617 K618 M713	V613-N615 PolarHBondContact O-N 3.25Å; N615-E617 VanDerWaalsContact C-N 3.26Å; N615-E617 PolarHBondContact O-N 3.11Å; N615-E617 WeakPolarHBondContact OD1-CB 3.18Å; N615-E617 PolarHBondContact OD1-N 2.89Å; N615-K618 HydrophobicContact CB-CB 4.35Å; N615-K618 HydrophobicContact CB-CD 3.95Å; N615-K618 HydrophobicContact CB-CG 4.17Å; N615-K618 WeakPolarHBondContact ND2-CE 3.42Å; N615-K618 PolarHBondContact O-N 2.87Å; N615-K618 PolarHBondContact OD1-N 3.24Å; N615-M713 HydrophobicContact CB-CE 3.93Å; N615-M713 HydrophobicContact CB-SD 4.45Å; N615-M713 WeakPolarHBondContact ND2-CE 3.21Å; N615-M713 WeakPolarHBondContact OD1-CE 3.33Å
616	A	91.5	Very high	90.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-56.4	-38	179.3	0	0	0	0	0	112.7	L472 W474 L607 V614 K618 I619 V620 M713	L472-A616 HydrophobicContact CD2-CB 4.24Å; W474-A616 HydrophobicContact CH2-CB 4.21Å; W474-A616 HydrophobicContact CZ2-CB 4Å; L607-A616 HydrophobicContact CB-CB 4.16Å; L607-A616 VanDerWaalsContact O-CB 3.24Å; L607-A616 WeakPolarHBondContact O-CB 3.08Å; V614-A616 PolarHBondContact O-N 3.14Å; A616-K618 VanDerWaalsContact C-N 3.3Å; A616-K618 PolarHBondContact O-N 3.34Å; A616-I619 PolarHBondContact O-N 3.45Å; A616-V620 WeakPolarHBondContact O-CB 3.37Å; A616-V620 WeakPolarHBondContact O-CG2 3.49Å; A616-V620 PolarHBondContact O-N 3.45Å; A616-M713 HydrophobicContact CB-SD 4.16Å; A616-M713 PolarHBondContact N-SD 2.84Å; A616-M713 VanDerWaalsContact N-SD 3.38Å
617	E	93.1	Very high	90.9	Very high	1 Å²	1	33 Å²	33	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-59.9	-39	178	-66	-55.3	151.4	0	0	112.9	L462 Y471 L472 W474 Y485 N615 C621 M713	L462-E617 HydrophobicContact CD1-CB 3.53Å; Y471-E617 WeakPolarHBondContact CA-OE1 3.43Å; Y471-E617 HydrophobicContact CD1-CG 3.64Å; Y471-E617 HydrophobicContact CE1-CG 4.29Å; L472-E617 PolarHBondContact N-OE1 3.47Å; W474-E617 VanDerWaalsContact NE1-CD 3.26Å; W474-E617 PolarHBondContact NE1-OE1 3.14Å; W474-E617 PolarHBondContact NE1-OE2 3.46Å; Y485-E617 PolarHBondContact OH-OE2 2.86Å; N615-E617 VanDerWaalsContact C-N 3.26Å; N615-E617 PolarHBondContact O-N 3.11Å; N615-E617 WeakPolarHBondContact OD1-CB 3.18Å; N615-E617 PolarHBondContact OD1-N 2.89Å; E617-C621 WeakPolarHBondContact O-CB 3.42Å; E617-C621 PolarHBondContact O-N 3.13Å; E617-M713 HydrophobicContact CG-SD 4.35Å
618	K	94	Very high	91.3	Very high	115 Å²	115	32.6 Å²	32.6	50%	0.5	18%	0.179	S	C	.	.	H	α-helix	trans	-62.8	-45.6	177.5	-75.6	178.9	-174.4	179.4	0	111.2	L462 N615 A616 C621 I622	L462-K618 HydrophobicContact CD2-CG 3.92Å; N615-K618 HydrophobicContact CB-CB 4.35Å; N615-K618 HydrophobicContact CB-CD 3.95Å; N615-K618 HydrophobicContact CB-CG 4.17Å; N615-K618 WeakPolarHBondContact ND2-CE 3.42Å; N615-K618 PolarHBondContact O-N 2.87Å; N615-K618 PolarHBondContact OD1-N 3.24Å; A616-K618 VanDerWaalsContact C-N 3.3Å; A616-K618 PolarHBondContact O-N 3.34Å; K618-C621 PolarHBondContact O-N 3.12Å; K618-I622 VanDerWaalsContact O-CG1 3.26Å; K618-I622 WeakPolarHBondContact O-CG1 3.45Å; K618-I622 PolarHBondContact O-N 3.09Å
619	I	92.5	Very high	91.7	Very high	62 Å²	62	33.6 Å²	33.6	32%	0.318	18%	0.184	S	C	.	.	H	α-helix	trans	-63.4	-47.4	-178.9	-60.4	173.8	0	0	0	109.9	M603 L607 V614 A616 C621 I622 F623	M603-I619 HydrophobicContact CE-CG2 3.62Å; L607-I619 HydrophobicContact CD1-CB 4.07Å; L607-I619 HydrophobicContact CD1-CG2 3.72Å; L607-I619 HydrophobicContact CD2-CD1 3.95Å; L607-I619 HydrophobicContact CD2-CG2 4.41Å; V614-I619 HydrophobicContact CG1-CD1 3.63Å; A616-I619 PolarHBondContact O-N 3.45Å; I619-C621 PolarHBondContact O-N 3.21Å; I619-I622 PolarHBondContact O-N 3.01Å; I619-F623 PolarHBondContact O-N 2.98Å
620	V	92.8	Very high	92.2	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.03	18%	0.18	C	C	.	.	H	α-helix	trans	-64	-40.1	178.2	171.8	0	0	0	0	112	W474 L481 Y485 L607 A616 F623 G624	W474-V620 HydrophobicContact CD2-CG2 4.48Å; W474-V620 HydrophobicContact CH2-CG2 4.07Å; W474-V620 HydrophobicContact CZ2-CG2 3.75Å; L481-V620 HydrophobicContact CD2-CB 4.45Å; L481-V620 HydrophobicContact CD2-CG1 3.04Å; L481-V620 HydrophobicContact CG-CG1 4.43Å; Y485-V620 HydrophobicContact CD2-CG1 3.63Å; Y485-V620 HydrophobicContact CE2-CB 4.48Å; Y485-V620 HydrophobicContact CE2-CG1 3.74Å; L607-V620 HydrophobicContact CD1-CG2 3.64Å; A616-V620 WeakPolarHBondContact O-CB 3.37Å; A616-V620 WeakPolarHBondContact O-CG2 3.49Å; A616-V620 PolarHBondContact O-N 3.45Å; V620-F623 PolarHBondContact O-N 2.82Å; V620-G624 PolarHBondContact O-N 3.1Å
621	C	95.5	Very high	92.8	Very high	8 Å²	8	32 Å²	32	5%	0.054	18%	0.181	C	C	.	.	H	α-helix	trans	-62.3	-43.5	174.7	179.2	0	0	0	0	111.7	L462 Y485 E617 K618 I619 T625	L462-C621 HydrophobicContact CD2-CB 4.44Å; Y485-C621 HydrophobicContact CD1-CB 3.68Å; Y485-C621 HydrophobicContact CE1-CB 3.66Å; Y485-C621 HydrophobicContact CG-CB 4.3Å; E617-C621 WeakPolarHBondContact O-CB 3.42Å; E617-C621 PolarHBondContact O-N 3.13Å; K618-C621 PolarHBondContact O-N 3.12Å; I619-C621 PolarHBondContact O-N 3.21Å; C621-T625 WeakPolarHBondContact O-CB 2.99Å; C621-T625 PolarHBondContact O-N 2.93Å; C621-T625 PolarHBondContact O-OG1 3.48Å
622	I	94.9	Very high	93.3	Very high	119 Å²	119	32.1 Å²	32.1	61%	0.61	18%	0.181	S	C	*	.	H	α-helix	trans	-61.4	-47.8	176.4	-70.7	164.2	0	0	0	109.9	K618 I619 T625 A626	K618-I622 VanDerWaalsContact O-CG1 3.26Å; K618-I622 WeakPolarHBondContact O-CG1 3.45Å; K618-I622 PolarHBondContact O-N 3.09Å; I619-I622 PolarHBondContact O-N 3.01Å; I622-T625 PolarHBondContact O-N 3.37Å; I622-A626 WeakPolarHBondContact O-CB 3.22Å; I622-A626 PolarHBondContact O-N 2.91Å
623	F	92	Very high	93.8	Very high	32 Å²	32	31.5 Å²	31.5	14%	0.14	18%	0.177	C	C	.	.	H	α-helix	trans	-59.5	-51.9	177.8	172.2	-118.6	0	0	0	112	Y596 L599 I619 V620 T625 A626 T627	Y596-F623 AromaticContact CD2-CE1 3.63Å; Y596-F623 HydrophobicContact CD2-CE1 3.63Å; Y596-F623 AromaticContact CD2-CZ 3.58Å; Y596-F623 HydrophobicContact CD2-CZ 3.58Å; Y596-F623 HydrophobicContact CE2-CD1 4.49Å; Y596-F623 AromaticContact CE2-CE1 3.72Å; Y596-F623 HydrophobicContact CE2-CE1 3.72Å; Y596-F623 HydrophobicContact CE2-CZ 4.16Å; Y596-F623 HydrophobicContact CG-CZ 4.41Å; L599-F623 HydrophobicContact CB-CE2 4.25Å; L599-F623 HydrophobicContact CB-CZ 3.91Å; L599-F623 HydrophobicContact CD2-CD2 3.71Å; L599-F623 HydrophobicContact CD2-CE2 3.19Å; L599-F623 HydrophobicContact CD2-CZ 3.72Å; L599-F623 HydrophobicContact CG-CD2 4.48Å; L599-F623 HydrophobicContact CG-CE2 3.88Å; L599-F623 HydrophobicContact CG-CZ 3.87Å; I619-F623 PolarHBondContact O-N 2.98Å; V620-F623 PolarHBondContact O-N 2.82Å; F623-T625 VanDerWaalsContact C-N 3.32Å; F623-T625 PolarHBondContact O-N 3.19Å; F623-A626 WeakPolarHBondContact O-CB 3.43Å; F623-A626 PolarHBondContact O-N 3.32Å; F623-A626 VanDerWaalsContact O-N 3.17Å; F623-T627 PolarHBondContact O-N 3.19Å; F623-T627 PolarHBondContact O-OG1 3.37Å
624	G	95.3	Very high	94.2	Very high	3 Å²	3	27.5 Å²	27.5	3%	0.031	15%	0.152	C	C	.	.	H	α-helix	trans	-62.2	-37.7	178.3	0	0	0	0	0	113.2	V620 T627 A628	V620-G624 PolarHBondContact O-N 3.1Å; G624-T627 PolarHBondContact O-N 2.53Å; G624-A628 WeakPolarHBondContact O-CB 3.18Å; G624-A628 PolarHBondContact O-N 2.87Å
625	T	96.7	Very high	94.7	Very high	14 Å²	14	25.6 Å²	25.6	9%	0.086	14%	0.141	C	C	.	.	H	α-helix	trans	-66.9	-40.7	174.9	-57.2	0	0	0	0	111.2	V455 A489 C621 I622 F623 A628 V629	V455-T625 HydrophobicContact CG2-CG2 4.18Å; A489-T625 HydrophobicContact CB-CG2 4.22Å; C621-T625 WeakPolarHBondContact O-CB 2.99Å; C621-T625 PolarHBondContact O-N 2.93Å; C621-T625 PolarHBondContact O-OG1 3.48Å; I622-T625 PolarHBondContact O-N 3.37Å; F623-T625 VanDerWaalsContact C-N 3.32Å; F623-T625 PolarHBondContact O-N 3.19Å; T625-A628 PolarHBondContact O-N 3.08Å; T625-V629 HydrophobicContact CG2-CG2 4.31Å; T625-V629 WeakPolarHBondContact O-CB 3.26Å; T625-V629 VanDerWaalsContact O-CG2 3.28Å; T625-V629 WeakPolarHBondContact O-CG2 3.43Å; T625-V629 PolarHBondContact O-N 3.18Å
626	A	94.8	Very high	94.9	Very high	52 Å²	52	23.6 Å²	23.6	43%	0.43	13%	0.13	S	C	.	.	H	α-helix	trans	-62.9	-44.9	176.4	0	0	0	0	0	111.6	I622 F623 A628 V629 T630	I622-A626 WeakPolarHBondContact O-CB 3.22Å; I622-A626 PolarHBondContact O-N 2.91Å; F623-A626 WeakPolarHBondContact O-CB 3.43Å; F623-A626 PolarHBondContact O-N 3.32Å; F623-A626 VanDerWaalsContact O-N 3.17Å; A626-A628 VanDerWaalsContact C-N 3.32Å; A626-A628 PolarHBondContact O-N 2.97Å; A626-V629 PolarHBondContact O-N 3.25Å; A626-T630 PolarHBondContact O-N 3.39Å; A626-T630 PolarHBondContact O-OG1 3.26Å
627	T	95.1	Very high	95.1	Very high	16 Å²	16	23.7 Å²	23.7	10%	0.098	13%	0.13	C	C	.	.	H	α-helix	trans	-58.8	-44.1	172.8	-54.5	0	0	0	0	111.4	V486 V592 Y596 F623 G624 T630 A631	V486-T627 HydrophobicContact CG1-CG2 4.49Å; V592-T627 HydrophobicContact CG1-CG2 3.99Å; Y596-T627 HydrophobicContact CD2-CG2 3.86Å; Y596-T627 HydrophobicContact CG-CG2 4.28Å; F623-T627 PolarHBondContact O-N 3.19Å; F623-T627 PolarHBondContact O-OG1 3.37Å; G624-T627 PolarHBondContact O-N 2.53Å; T627-T630 PolarHBondContact O-N 2.85Å; T627-A631 WeakPolarHBondContact O-CB 3.05Å; T627-A631 PolarHBondContact O-N 2.96Å
628	A	96.9	Very high	95.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.7	-39.1	178.4	0	0	0	0	0	113.3	V486 A489 L490 G624 T625 A626 A631 M632	V486-A628 HydrophobicContact CG1-CB 4.17Å; V486-A628 VanDerWaalsContact O-CB 3.29Å; V486-A628 WeakPolarHBondContact O-CB 3.23Å; A489-A628 HydrophobicContact CB-CB 3.52Å; L490-A628 HydrophobicContact CB-CB 4.13Å; G624-A628 WeakPolarHBondContact O-CB 3.18Å; G624-A628 PolarHBondContact O-N 2.87Å; T625-A628 PolarHBondContact O-N 3.08Å; A626-A628 VanDerWaalsContact C-N 3.32Å; A626-A628 PolarHBondContact O-N 2.97Å; A628-A631 PolarHBondContact O-N 3.15Å; A628-M632 WeakPolarHBondContact O-CB 3.3Å; A628-M632 PolarHBondContact O-N 3.03Å
629	V	97	Very high	95.2	Very high	22 Å²	22	18.1 Å²	18.1	13%	0.133	11%	0.106	C	C	.	.	H	α-helix	trans	-64.5	-43.7	175.9	167.8	0	0	0	0	110.2	L451 T625 A626 M632 L633	L451-V629 HydrophobicContact CD1-CG1 4.01Å; L451-V629 HydrophobicContact CD1-CG2 3.75Å; T625-V629 HydrophobicContact CG2-CG2 4.31Å; T625-V629 WeakPolarHBondContact O-CB 3.26Å; T625-V629 VanDerWaalsContact O-CG2 3.28Å; T625-V629 WeakPolarHBondContact O-CG2 3.43Å; T625-V629 PolarHBondContact O-N 3.18Å; A626-V629 PolarHBondContact O-N 3.25Å; V629-M632 HydrophobicContact CG1-CE 4.49Å; V629-M632 WeakPolarHBondContact O-CB 3.35Å; V629-M632 PolarHBondContact O-N 2.91Å; V629-L633 HydrophobicContact CG1-CD1 4.26Å; V629-L633 VanDerWaalsContact O-CG 3.3Å; V629-L633 WeakPolarHBondContact O-CG 3.31Å; V629-L633 PolarHBondContact O-N 3.25Å
630	T	95.8	Very high	95.3	Very high	13 Å²	13	15.4 Å²	15.4	8%	0.08	9%	0.092	C	C	.	.	H	α-helix	trans	-60.8	-48.1	174.6	-57	0	0	0	0	111	Y544 I548 V592 A626 T627 M632 L633 L634	Y544-T630 HydrophobicContact CE1-CG2 4.41Å; I548-T630 HydrophobicContact CD1-CG2 3.87Å; V592-T630 HydrophobicContact CG2-CG2 3.73Å; A626-T630 PolarHBondContact O-N 3.39Å; A626-T630 PolarHBondContact O-OG1 3.26Å; T627-T630 PolarHBondContact O-N 2.85Å; T630-M632 VanDerWaalsContact C-N 3.33Å; T630-M632 PolarHBondContact O-N 3.41Å; T630-L633 PolarHBondContact O-N 2.95Å; T630-L634 WeakPolarHBondContact O-CG 3.28Å; T630-L634 PolarHBondContact O-N 3.33Å; T630-L634 VanDerWaalsContact O-N 3.08Å
631	A	95.8	Very high	95.3	Very high	12 Å²	12	15.1 Å²	15.1	10%	0.099	9%	0.09	C	C	.	.	H	α-helix	trans	-61.6	-39.2	176.2	0	0	0	0	0	112.8	L490 T627 A628 L634 M635	L490-A631 HydrophobicContact CD1-CB 4.1Å; T627-A631 WeakPolarHBondContact O-CB 3.05Å; T627-A631 PolarHBondContact O-N 2.96Å; A628-A631 PolarHBondContact O-N 3.15Å; A631-L634 PolarHBondContact O-N 3.44Å; A631-M635 WeakPolarHBondContact O-CG 3.19Å; A631-M635 PolarHBondContact O-N 3.47Å; A631-M635 VanDerWaalsContact O-N 3.1Å
632	M	96.6	Very high	95.1	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.01	9%	0.088	C	C	.	.	H	α-helix	trans	-61.2	-46.8	175.2	178.2	-150.4	70.9	0	0	110.7	A450 L490 G493 L494 A628 V629 T630 L634 M635 A636	A450-M632 HydrophobicContact CB-CE 4.27Å; A450-M632 HydrophobicContact CB-SD 3.69Å; L490-M632 HydrophobicContact CD1-CB 3.87Å; G493-M632 WeakPolarHBondContact CA-SD 3.37Å; L494-M632 HydrophobicContact CD2-CG 4Å; L494-M632 HydrophobicContact CG-CG 4.3Å; A628-M632 WeakPolarHBondContact O-CB 3.3Å; A628-M632 PolarHBondContact O-N 3.03Å; V629-M632 HydrophobicContact CG1-CE 4.49Å; V629-M632 WeakPolarHBondContact O-CB 3.35Å; V629-M632 PolarHBondContact O-N 2.91Å; T630-M632 VanDerWaalsContact C-N 3.33Å; T630-M632 PolarHBondContact O-N 3.41Å; M632-L634 VanDerWaalsContact C-N 3.29Å; M632-L634 PolarHBondContact O-N 3.49Å; M632-M635 CarbonylContact O-C 3.52Å; M632-M635 PolarHBondContact O-N 2.96Å; M632-A636 WeakPolarHBondContact O-CB 3.38Å; M632-A636 PolarHBondContact O-N 2.89Å
633	L	96.6	Very high	94.7	Very high	12 Å²	12	12.8 Å²	12.8	6%	0.063	8%	0.079	C	C	.	.	H	α-helix	trans	-58.1	-41.9	176.4	-72	174	0	0	0	111.1	T523 L526 L527 V629 T630 M635	T523-L633 HydrophobicContact CG2-CB 3.86Å; T523-L633 HydrophobicContact CG2-CD2 4.12Å; T523-L633 VanDerWaalsContact CG2-O 3.29Å; T523-L633 WeakPolarHBondContact CG2-O 3.35Å; L526-L633 HydrophobicContact CD1-CD2 4.32Å; L527-L633 HydrophobicContact CD2-CD1 3.82Å; L527-L633 HydrophobicContact CG-CD1 4.27Å; V629-L633 HydrophobicContact CG1-CD1 4.26Å; V629-L633 VanDerWaalsContact O-CG 3.3Å; V629-L633 WeakPolarHBondContact O-CG 3.31Å; V629-L633 PolarHBondContact O-N 3.25Å; T630-L633 PolarHBondContact O-N 2.95Å; L633-M635 VanDerWaalsContact C-N 3.27Å; L633-M635 PolarHBondContact O-N 3.39Å
634	L	96	Very high	94	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-66	-25.8	176.2	-63.1	178.4	0	0	0	113.8	I548 L552 H581 V585 A588 Y589 V592 T630 A631 M632	I548-L634 HydrophobicContact CG2-CD2 3.85Å; L552-L634 HydrophobicContact CD1-CD2 3.93Å; L552-L634 HydrophobicContact CD2-CD2 4.07Å; L552-L634 HydrophobicContact CG-CD2 4.26Å; H581-L634 PolarHBondContact NE2-O 3.09Å; V585-L634 HydrophobicContact CG1-CD2 4.43Å; A588-L634 HydrophobicContact CB-CD1 4.18Å; A588-L634 HydrophobicContact CB-CD2 4.21Å; Y589-L634 HydrophobicContact CD1-CD1 3.79Å; Y589-L634 HydrophobicContact CE1-CB 3.9Å; Y589-L634 HydrophobicContact CE1-CD1 3.74Å; Y589-L634 HydrophobicContact CE1-CG 4.48Å; V592-L634 HydrophobicContact CG2-CD1 4.05Å; T630-L634 WeakPolarHBondContact O-CG 3.28Å; T630-L634 PolarHBondContact O-N 3.33Å; T630-L634 VanDerWaalsContact O-N 3.08Å; A631-L634 PolarHBondContact O-N 3.44Å; M632-L634 VanDerWaalsContact C-N 3.29Å; M632-L634 PolarHBondContact O-N 3.49Å
635	M	95.5	Very high	93.8	Very high	6 Å²	6	12.4 Å²	12.4	3%	0.03	8%	0.082	C	C	.	.	H	α-helix	trans	-102.4	-20.2	-176.4	-68.2	-176.7	-159.2	0	0	114.4	L47 L494 Y589 A631 M632 L633 T637 L638	L47-M635 HydrophobicContact CD1-CE 3.43Å; L47-M635 VanDerWaalsContact CD1-CE 3.43Å; L494-M635 HydrophobicContact CD1-SD 4.23Å; L494-M635 HydrophobicContact CD2-CB 3.96Å; Y589-M635 HydrophobicContact CE1-CE 3.77Å; Y589-M635 WeakPolarHBondContact OH-CG 3.33Å; A631-M635 WeakPolarHBondContact O-CG 3.19Å; A631-M635 PolarHBondContact O-N 3.47Å; A631-M635 VanDerWaalsContact O-N 3.1Å; M632-M635 CarbonylContact O-C 3.52Å; M632-M635 PolarHBondContact O-N 2.96Å; L633-M635 VanDerWaalsContact C-N 3.27Å; L633-M635 PolarHBondContact O-N 3.39Å; M635-T637 VanDerWaalsContact C-N 3.28Å; M635-T637 PolarHBondContact O-N 3.36Å; M635-T637 VanDerWaalsContact O-N 3.13Å; M635-L638 WeakPolarHBondContact O-CB 3.36Å; M635-L638 PolarHBondContact O-N 3.34Å
636	A	95.3	Very high	93.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-53.3	-41.9	-167.3	0	0	0	0	0	113.3	V519 M632 L638 V639 Y640	V519-A636 HydrophobicContact CG1-CB 4.4Å; M632-A636 WeakPolarHBondContact O-CB 3.38Å; M632-A636 PolarHBondContact O-N 2.89Å; A636-L638 VanDerWaalsContact C-N 3.34Å; A636-L638 PolarHBondContact O-N 3.13Å; A636-V639 WeakPolarHBondContact O-CB 3.45Å; A636-V639 PolarHBondContact O-N 3.02Å; A636-Y640 WeakPolarHBondContact O-CD2 3.37Å
637	T	94.6	Very high	93.2	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.012	9%	0.091	C	C	.	.	H	α-helix	trans	-65.7	-35.1	-177.5	-153.2	0	0	0	0	113.2	E516 F520 H581 M635 V639 Y640	E516-T637 VanDerWaalsContact CD-OG1 3.28Å; E516-T637 WeakPolarHBondContact CG-OG1 3.45Å; E516-T637 PolarHBondContact O-OG1 3.26Å; E516-T637 VanDerWaalsContact O-OG1 3.09Å; E516-T637 PolarHBondContact OE1-OG1 3.4Å; F520-T637 HydrophobicContact CD2-CG2 4.23Å; H581-T637 WeakPolarHBondContact CE1-CG2 3.4Å; H581-T637 WeakPolarHBondContact ND1-CG2 3.29Å; M635-T637 VanDerWaalsContact C-N 3.28Å; M635-T637 PolarHBondContact O-N 3.36Å; M635-T637 VanDerWaalsContact O-N 3.13Å; T637-V639 PolarHBondContact O-N 3.33Å; T637-Y640 PolarHBondContact O-N 2.8Å; T637-Y640 VanDerWaalsContact O-N 3.17Å
638	L	94.9	Very high	93.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.7	-28.8	179	-61.9	-178.3	0	0	0	111.7	W40 F578 H581 M635 A636 Y640 I641 S642	W40-L638 HydrophobicContact CH2-CB 3.83Å; W40-L638 HydrophobicContact CH2-CD1 4.39Å; W40-L638 HydrophobicContact CZ2-CB 3.75Å; F578-L638 HydrophobicContact CB-CD2 4.47Å; F578-L638 HydrophobicContact CD2-CB 4.31Å; F578-L638 HydrophobicContact CD2-CD1 4.38Å; F578-L638 HydrophobicContact CD2-CD2 3.74Å; F578-L638 HydrophobicContact CD2-CG 4.38Å; F578-L638 HydrophobicContact CE2-CB 4.17Å; F578-L638 HydrophobicContact CE2-CD1 3.99Å; F578-L638 HydrophobicContact CE2-CD2 4.19Å; F578-L638 HydrophobicContact CE2-CG 4.36Å; F578-L638 HydrophobicContact CG-CD2 4.16Å; F578-L638 HydrophobicContact CZ-CD1 4.28Å; H581-L638 HydrophobicContact CB-CD2 3.8Å; H581-L638 VanDerWaalsContact CD2-CD2 3.46Å; H581-L638 WeakPolarHBondContact CD2-CD2 3.25Å; M635-L638 WeakPolarHBondContact O-CB 3.36Å; M635-L638 PolarHBondContact O-N 3.34Å; A636-L638 VanDerWaalsContact C-N 3.34Å; A636-L638 PolarHBondContact O-N 3.13Å; L638-Y640 PolarHBondContact O-N 3.46Å; L638-I641 HydrophobicContact CD2-CD1 4.42Å; L638-I641 WeakPolarHBondContact O-CG1 3.4Å; L638-I641 PolarHBondContact O-N 3.3Å; L638-S642 WeakPolarHBondContact O-CB 3.33Å; L638-S642 PolarHBondContact O-N 3.35Å; L638-S642 PolarHBondContact O-OG 2.77Å
639	V	95.1	Very high	93	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.4	-29.6	180	-176.4	0	0	0	0	112.2	W40 L494 H497 Y498 A636 T637 M645	W40-V639 HydrophobicContact CH2-CG2 4.31Å; W40-V639 HydrophobicContact CZ2-CG2 4.37Å; L494-V639 HydrophobicContact CD2-CG2 4.01Å; H497-V639 HydrophobicContact CB-CB 4.39Å; H497-V639 HydrophobicContact CB-CG1 4.27Å; H497-V639 HydrophobicContact CB-CG2 4.5Å; Y498-V639 HydrophobicContact CD2-CG1 4.49Å; A636-V639 WeakPolarHBondContact O-CB 3.45Å; A636-V639 PolarHBondContact O-N 3.02Å; T637-V639 PolarHBondContact O-N 3.33Å; V639-M645 HydrophobicContact CB-CE 4.46Å; V639-M645 HydrophobicContact CG1-CE 4.14Å; V639-M645 HydrophobicContact CG1-CG 4.4Å; V639-M645 HydrophobicContact CG1-SD 4.48Å; V639-M645 HydrophobicContact CG2-CE 3.87Å
640	Y	93.6	Very high	92.9	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.016	14%	0.137	C	C	.	.	H	α-helix	trans	-77.8	-25.6	-176.7	-74.6	-98.7	0	0	0	113.6	H497 F500 F504 V512 V519 A636 T637 L638	H497-Y640 HydrophobicContact CB-CE2 4.33Å; H497-Y640 AromaticContact ND1-CE2 3.66Å; F500-Y640 HydrophobicContact CB-CE1 4.49Å; F504-Y640 HydrophobicContact CD2-CD1 4.33Å; F504-Y640 AromaticContact CD2-CE1 3.85Å; F504-Y640 HydrophobicContact CD2-CE1 3.85Å; F504-Y640 HydrophobicContact CE2-CE1 4.09Å; V512-Y640 WeakPolarHBondContact CG1-O 3.11Å; V519-Y640 HydrophobicContact CB-CD2 4.34Å; V519-Y640 HydrophobicContact CB-CE2 4.1Å; V519-Y640 HydrophobicContact CG1-CD2 4.09Å; V519-Y640 HydrophobicContact CG1-CE2 3.71Å; V519-Y640 HydrophobicContact CG2-CD1 4.4Å; V519-Y640 HydrophobicContact CG2-CD2 4.06Å; V519-Y640 HydrophobicContact CG2-CE1 3.93Å; V519-Y640 HydrophobicContact CG2-CE2 3.54Å; V519-Y640 HydrophobicContact CG2-CG 4.46Å; V519-Y640 VanDerWaalsContact CG2-CZ 3.45Å; A636-Y640 WeakPolarHBondContact O-CD2 3.37Å; T637-Y640 PolarHBondContact O-N 2.8Å; T637-Y640 VanDerWaalsContact O-N 3.17Å; L638-Y640 PolarHBondContact O-N 3.46Å
641	I	92.7	Very high	92.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-102.1	0.3	177.5	54.5	163.5	0	0	0	113.7	V35 L513 E516 T574 I577 F578 L638	V35-I641 PolarHBondContact N-O 3.14Å; L513-I641 HydrophobicContact CD2-CG2 4.34Å; E516-I641 HydrophobicContact CB-CG2 4.1Å; E516-I641 HydrophobicContact CG-CG2 3.74Å; T574-I641 HydrophobicContact CG2-CB 4.19Å; T574-I641 HydrophobicContact CG2-CG2 4.19Å; I577-I641 HydrophobicContact CB-CD1 4.05Å; I577-I641 HydrophobicContact CG2-CD1 3.72Å; F578-I641 HydrophobicContact CB-CD1 4.02Å; F578-I641 HydrophobicContact CD2-CD1 4.42Å; L638-I641 HydrophobicContact CD2-CD1 4.42Å; L638-I641 WeakPolarHBondContact O-CG1 3.4Å; L638-I641 PolarHBondContact O-N 3.3Å
642	S	92.7	Very high	92.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-95.9	153.9	178.8	-61.2	0	0	0	0	111.1	V35 W40 R505 L638	V35-S642 CarbonylContact O-C 3.52Å; V35-S642 VanDerWaalsContact O-CA 3.28Å; V35-S642 WeakPolarHBondContact O-CA 3.36Å; W40-S642 VanDerWaalsContact NE1-CB 3.27Å; W40-S642 PolarHBondContact NE1-OG 2.82Å; R505-S642 PolarHBondContact NH2-O 3.35Å; L638-S642 WeakPolarHBondContact O-CB 3.33Å; L638-S642 PolarHBondContact O-N 3.35Å; L638-S642 PolarHBondContact O-OG 2.77Å
643	D	86.1	Confident	92.9	Very high	78 Å²	78	34.2 Å²	34.2	42%	0.417	18%	0.18	S	C	.	.			trans	-119.4	154.6	164.7	-169.2	22	0	0	0	110.6	Y34 V35 R505	Y34-D643 VanDerWaalsContact CB-CB 3.45Å; Y34-D643 HydrophobicContact CD1-CB 4.46Å; Y34-D643 HydrophobicContact CG-CB 3.93Å; V35-D643 PolarHBondContact O-N 3.21Å; R505-D643 IonicContact CZ-OD1 2.86Å; R505-D643 IonicContact NH1-OD1 3.82Å; R505-D643 PolarHBondContact NH1-OD1 3.34Å
644	G	77.5	Confident	92.9	Very high	22 Å²	22	38.7 Å²	38.7	23%	0.227	20%	0.197	C	C	.	.			trans	63.3	61.2	176.6	0	0	0	0	0	114.3	Q646	G644-Q646 PolarHBondContact O-N 3.02Å
645	M	89.9	Confident	92.9	Very high	4 Å²	4	39 Å²	39	2%	0.02	20%	0.199	C	C	.	.			trans	-71	38.5	172.8	-62	-67.1	-71.9	0	0	112.9	W40 Y498 V639 W647 L648	W40-M645 HydrophobicContact CH2-CE 4.13Å; W40-M645 HydrophobicContact CZ2-CE 3.8Å; W40-M645 HydrophobicContact CZ2-SD 3.84Å; Y498-M645 HydrophobicContact CD2-CB 3.68Å; Y498-M645 HydrophobicContact CD2-CG 3.35Å; Y498-M645 HydrophobicContact CE2-CB 3.83Å; Y498-M645 HydrophobicContact CE2-CG 3.74Å; Y498-M645 HydrophobicContact CG-CB 4.05Å; Y498-M645 HydrophobicContact CG-CG 4.03Å; V639-M645 HydrophobicContact CB-CE 4.46Å; V639-M645 HydrophobicContact CG1-CE 4.14Å; V639-M645 HydrophobicContact CG1-CG 4.4Å; V639-M645 HydrophobicContact CG1-SD 4.48Å; V639-M645 HydrophobicContact CG2-CE 3.87Å; M645-W647 HydrophobicContact CE-CZ2 3.53Å; M645-W647 VanDerWaalsContact CE-NE1 3.32Å; M645-W647 PolarHBondContact O-N 3.39Å; M645-L648 HydrophobicContact CB-CD1 3.97Å; M645-L648 HydrophobicContact CB-CG 4.37Å; M645-L648 HydrophobicContact CE-CD1 3.78Å; M645-L648 HydrophobicContact CE-CG 4.07Å; M645-L648 WeakPolarHBondContact O-CB 3.49Å; M645-L648 PolarHBondContact O-N 3.44Å; M645-L648 VanDerWaalsContact O-N 3.07Å
646	Q	88.9	Confident	92.9	Very high	121 Å²	121	43 Å²	43	57%	0.565	22%	0.22	S	C	*	.	H	α-helix	trans	-60.5	-28.4	-178.5	-65.6	177.4	-6.3	0	0	111.7	G644 L648 R649 C650	G644-Q646 PolarHBondContact O-N 3.02Å; Q646-L648 PolarHBondContact O-N 3.25Å; Q646-R649 WeakPolarHBondContact O-CA 3.43Å; Q646-R649 WeakPolarHBondContact O-CB 2.99Å; Q646-R649 PolarHBondContact O-N 3.39Å; Q646-C650 PolarHBondContact O-N 3.29Å; Q646-C650 VanDerWaalsContact O-N 3.16Å
647	W	91.8	Very high	92.9	Very high	35 Å²	35	49.2 Å²	49.2	13%	0.133	25%	0.25	C	S	.	.	H	α-helix	trans	-60.3	-27.3	175.4	73.8	-98.2	0	0	0	113.2	L37 W40 M44 L494 M645 R649 C650 L651	L37-W647 HydrophobicContact CD1-CB 4.13Å; W40-W647 HydrophobicContact CD2-CZ2 4.31Å; W40-W647 AromaticContact CD2-NE1 3.51Å; W40-W647 AromaticContact CE2-NE1 3.96Å; W40-W647 AromaticContact CE3-CE2 3.86Å; W40-W647 AromaticContact CE3-CZ2 3.7Å; W40-W647 HydrophobicContact CE3-CZ2 3.7Å; W40-W647 AromaticContact CE3-NE1 3.76Å; W40-W647 AromaticContact CG-NE1 3.71Å; W40-W647 HydrophobicContact CH2-CZ2 4.13Å; W40-W647 HydrophobicContact CZ3-CH2 4.42Å; W40-W647 AromaticContact CZ3-CZ2 3.6Å; W40-W647 HydrophobicContact CZ3-CZ2 3.6Å; M44-W647 HydrophobicContact CE-CD2 4.3Å; M44-W647 HydrophobicContact CE-CE3 3.91Å; M44-W647 HydrophobicContact CE-CH2 3.26Å; M44-W647 HydrophobicContact CE-CZ2 3.72Å; M44-W647 HydrophobicContact CE-CZ3 3.38Å; L494-W647 HydrophobicContact CD1-CH2 3.56Å; L494-W647 HydrophobicContact CD1-CZ2 4.09Å; M645-W647 HydrophobicContact CE-CZ2 3.53Å; M645-W647 VanDerWaalsContact CE-NE1 3.32Å; M645-W647 PolarHBondContact O-N 3.39Å; W647-R649 VanDerWaalsContact C-N 3.3Å; W647-R649 PolarHBondContact O-N 3.07Å; W647-C650 CarbonylContact O-C 3.56Å; W647-C650 WeakPolarHBondContact O-CB 2.98Å; W647-C650 PolarHBondContact O-N 2.79Å; W647-L651 HydrophobicContact CE3-CB 4.47Å; W647-L651 HydrophobicContact CZ3-CD2 3.94Å; W647-L651 WeakPolarHBondContact O-CB 3.29Å; W647-L651 PolarHBondContact O-N 3.11Å
648	L	94	Very high	92.9	Very high	7 Å²	7	50.2 Å²	50.2	4%	0.037	25%	0.254	C	S	.	.	H	α-helix	trans	-65.4	-35.5	173	-71.7	175.2	0	0	0	111.5	C491 L494 M645 Q646 L651 A652	C491-L648 PolarHBondContact SG-O 2.74Å; L494-L648 HydrophobicContact CB-CD1 4.17Å; L494-L648 HydrophobicContact CB-CD2 3.74Å; L494-L648 HydrophobicContact CD1-CD2 4.16Å; M645-L648 HydrophobicContact CB-CD1 3.97Å; M645-L648 HydrophobicContact CB-CG 4.37Å; M645-L648 HydrophobicContact CE-CD1 3.78Å; M645-L648 HydrophobicContact CE-CG 4.07Å; M645-L648 WeakPolarHBondContact O-CB 3.49Å; M645-L648 PolarHBondContact O-N 3.44Å; M645-L648 VanDerWaalsContact O-N 3.07Å; Q646-L648 PolarHBondContact O-N 3.25Å; L648-L651 PolarHBondContact O-N 2.72Å; L648-A652 WeakPolarHBondContact O-CB 3.42Å; L648-A652 PolarHBondContact O-N 3.46Å
649	R	93.3	Very high	92.9	Very high	164 Å²	164	51.9 Å²	51.9	62%	0.619	26%	0.261	S	S	*	.	H	α-helix	trans	-67.9	-41.2	173	-58.6	-179.4	-176.3	172.9	-0.6	110.5	Q646 W647 L651 A652 L653	Q646-R649 WeakPolarHBondContact O-CA 3.43Å; Q646-R649 WeakPolarHBondContact O-CB 2.99Å; Q646-R649 PolarHBondContact O-N 3.39Å; W647-R649 VanDerWaalsContact C-N 3.3Å; W647-R649 PolarHBondContact O-N 3.07Å; R649-L651 VanDerWaalsContact C-N 3.3Å; R649-L651 PolarHBondContact O-N 2.81Å; R649-A652 PolarHBondContact O-N 3.11Å; R649-L653 WeakPolarHBondContact O-CB 3.2Å; R649-L653 VanDerWaalsContact O-CG 3.27Å; R649-L653 WeakPolarHBondContact O-CG 3.33Å; R649-L653 PolarHBondContact O-N 2.83Å
650	C	94.8	Very high	92.9	Very high	82 Å²	82	55.5 Å²	55.5	55%	0.554	28%	0.28	S	S	*	.	H	α-helix	trans	-61.6	-39.2	173.6	-57.9	0	0	0	0	111.7	Q646 W647 L653 Y654	Q646-C650 PolarHBondContact O-N 3.29Å; Q646-C650 VanDerWaalsContact O-N 3.16Å; W647-C650 CarbonylContact O-C 3.56Å; W647-C650 WeakPolarHBondContact O-CB 2.98Å; W647-C650 PolarHBondContact O-N 2.79Å; C650-L653 PolarHBondContact O-N 3.07Å; C650-Y654 WeakPolarHBondContact O-CB 3.09Å; C650-Y654 PolarHBondContact O-N 2.88Å
651	L	94.7	Very high	93	Very high	33 Å²	33	57 Å²	57	17%	0.173	29%	0.293	C	S	.	.	H	α-helix	trans	-66.6	-44.3	176.4	-174.9	63.3	0	0	0	111.7	A487 C491 W647 L648 R649 Y654 C655	A487-L651 HydrophobicContact CB-CD1 4.02Å; C491-L651 HydrophobicContact CB-CD2 3.87Å; C491-L651 HydrophobicContact CB-CG 4.27Å; W647-L651 HydrophobicContact CE3-CB 4.47Å; W647-L651 HydrophobicContact CZ3-CD2 3.94Å; W647-L651 WeakPolarHBondContact O-CB 3.29Å; W647-L651 PolarHBondContact O-N 3.11Å; L648-L651 PolarHBondContact O-N 2.72Å; R649-L651 VanDerWaalsContact C-N 3.3Å; R649-L651 PolarHBondContact O-N 2.81Å; L651-Y654 HydrophobicContact CD1-CD1 4.24Å; L651-Y654 WeakPolarHBondContact O-CB 3.24Å; L651-Y654 PolarHBondContact O-N 2.77Å; L651-C655 PolarHBondContact O-N 3.28Å; L651-C655 PolarHBondContact O-SG 3.24Å
652	A	95.8	Very high	93	Very high	45 Å²	45	57.2 Å²	57.2	37%	0.372	29%	0.294	S	S	.	.	H	α-helix	trans	-61.6	-43.9	175	0	0	0	0	0	111.7	L648 R649 C655 L656	L648-A652 WeakPolarHBondContact O-CB 3.42Å; L648-A652 PolarHBondContact O-N 3.46Å; R649-A652 PolarHBondContact O-N 3.11Å; A652-C655 PolarHBondContact O-N 2.84Å; A652-L656 WeakPolarHBondContact O-CB 3.45Å; A652-L656 PolarHBondContact O-N 3.16Å
653	L	96.5	Very high	93	Very high	102 Å²	102	58.3 Å²	58.3	53%	0.534	30%	0.302	S	S	.	.	H	α-helix	trans	-62.7	-42.1	174.4	-73.7	171	0	0	0	111.6	R649 C650 L656 M657	R649-L653 WeakPolarHBondContact O-CB 3.2Å; R649-L653 VanDerWaalsContact O-CG 3.27Å; R649-L653 WeakPolarHBondContact O-CG 3.33Å; R649-L653 PolarHBondContact O-N 2.83Å; C650-L653 PolarHBondContact O-N 3.07Å; L653-L656 PolarHBondContact O-N 2.84Å; L653-M657 WeakPolarHBondContact O-CB 3.23Å; L653-M657 VanDerWaalsContact O-CG 3.22Å; L653-M657 WeakPolarHBondContact O-CG 3.4Å; L653-M657 PolarHBondContact O-N 3.11Å
654	Y	96.4	Very high	93.2	Very high	106 Å²	106	62.1 Å²	62.1	42%	0.416	32%	0.315	S	S	.	.	H	α-helix	trans	-58.8	-48.1	173.9	165	-98.1	0	0	0	111.5	S483 C650 L651 L656 M657 Y658	S483-Y654 PolarHBondContact OG-OH 3.3Å; C650-Y654 WeakPolarHBondContact O-CB 3.09Å; C650-Y654 PolarHBondContact O-N 2.88Å; L651-Y654 HydrophobicContact CD1-CD1 4.24Å; L651-Y654 WeakPolarHBondContact O-CB 3.24Å; L651-Y654 PolarHBondContact O-N 2.77Å; Y654-L656 VanDerWaalsContact C-N 3.32Å; Y654-L656 PolarHBondContact O-N 2.91Å; Y654-M657 PolarHBondContact O-N 2.05Å; Y654-Y658 HydrophobicContact CE2-CD2 4.49Å; Y654-Y658 VanDerWaalsContact O-CB 3.25Å; Y654-Y658 WeakPolarHBondContact O-CB 3.05Å; Y654-Y658 PolarHBondContact O-N 2.89Å
655	C	96.3	Very high	93.8	Very high	7 Å²	7	64.1 Å²	64.1	5%	0.047	32%	0.323	C	S	.	.	H	α-helix	trans	-61.7	-41.7	179	-63.8	0	0	0	0	111.4	P488 L651 A652 Y658 Y659	P488-C655 HydrophobicContact CG-CB 3.94Å; L651-C655 PolarHBondContact O-N 3.28Å; L651-C655 PolarHBondContact O-SG 3.24Å; A652-C655 PolarHBondContact O-N 2.84Å; C655-Y658 PolarHBondContact O-N 2.87Å; C655-Y659 WeakPolarHBondContact O-CB 3.5Å; C655-Y659 PolarHBondContact O-N 2.84Å
656	L	95.5	Very high	93.5	Very high	91 Å²	91	68.6 Å²	68.6	48%	0.476	35%	0.353	S	S	.	.	H	α-helix	trans	-64.5	-48.6	175.1	179.3	63.1	0	0	0	111.5	A652 L653 Y654 Y658 Y659 L660	A652-L656 WeakPolarHBondContact O-CB 3.45Å; A652-L656 PolarHBondContact O-N 3.16Å; L653-L656 PolarHBondContact O-N 2.84Å; Y654-L656 VanDerWaalsContact C-N 3.32Å; Y654-L656 PolarHBondContact O-N 2.91Å; L656-Y658 VanDerWaalsContact C-N 3.3Å; L656-Y658 PolarHBondContact O-N 2.76Å; L656-Y659 PolarHBondContact O-N 2.96Å; L656-L660 HydrophobicContact CD1-CD1 4.37Å; L656-L660 HydrophobicContact CD1-CG 4.35Å; L656-L660 HydrophobicContact CG-CD1 4.15Å; L656-L660 VanDerWaalsContact O-CG 3.26Å; L656-L660 WeakPolarHBondContact O-CG 3.29Å; L656-L660 PolarHBondContact O-N 3.33Å
657	M	96.4	Very high	93.3	Very high	130 Å²	130	67.2 Å²	67.2	64%	0.64	34%	0.343	S	S	*	.	H	α-helix	trans	-61.6	-39.2	177.6	-73.8	179.5	70.9	0	0	111.7	L653 Y654 L660 A661	L653-M657 WeakPolarHBondContact O-CB 3.23Å; L653-M657 VanDerWaalsContact O-CG 3.22Å; L653-M657 WeakPolarHBondContact O-CG 3.4Å; L653-M657 PolarHBondContact O-N 3.11Å; Y654-M657 PolarHBondContact O-N 2.05Å; M657-L660 PolarHBondContact O-N 3.2Å; M657-A661 VanDerWaalsContact O-CB 3.26Å; M657-A661 WeakPolarHBondContact O-CB 3.41Å; M657-A661 PolarHBondContact O-N 3.38Å
658	Y	95	Very high	93	Very high	24 Å²	24	65.9 Å²	65.9	9%	0.094	34%	0.34	C	S	.	.	H	α-helix	trans	-64.1	-48.1	175.3	-169	-87.9	0	0	0	110.7	A480 S483 L484 Y654 C655 L656 L660 A661 I662 Y667	A480-Y658 VanDerWaalsContact CA-OH 3.25Å; A480-Y658 WeakPolarHBondContact CA-OH 3.42Å; A480-Y658 HydrophobicContact CB-CE1 4.15Å; A480-Y658 WeakPolarHBondContact CB-OH 3.17Å; S483-Y658 VanDerWaalsContact CB-CD1 3.47Å; L484-Y658 HydrophobicContact CD2-CD1 3.95Å; L484-Y658 HydrophobicContact CD2-CE1 4.1Å; L484-Y658 HydrophobicContact CG-CD1 4.31Å; L484-Y658 HydrophobicContact CG-CE1 4.04Å; Y654-Y658 HydrophobicContact CE2-CD2 4.49Å; Y654-Y658 VanDerWaalsContact O-CB 3.25Å; Y654-Y658 WeakPolarHBondContact O-CB 3.05Å; Y654-Y658 PolarHBondContact O-N 2.89Å; C655-Y658 PolarHBondContact O-N 2.87Å; L656-Y658 VanDerWaalsContact C-N 3.3Å; L656-Y658 PolarHBondContact O-N 2.76Å; Y658-L660 VanDerWaalsContact C-N 3.35Å; Y658-L660 PolarHBondContact O-N 2.78Å; Y658-A661 PolarHBondContact O-N 3.24Å; Y658-I662 HydrophobicContact CD1-CG2 4.04Å; Y658-I662 HydrophobicContact CE1-CG2 3.65Å; Y658-I662 WeakPolarHBondContact O-CG2 3.04Å; Y658-I662 PolarHBondContact O-N 3.1Å; Y658-Y667 HydrophobicContact CE2-CE1 4.18Å
659	Y	94.7	Very high	92.6	Very high	34 Å²	34	66.8 Å²	66.8	13%	0.133	35%	0.345	C	S	.	.	H	α-helix	trans	-57.5	-45.2	174.8	172.4	-104.8	0	0	0	112.2	M461 A464 L468 C655 L656 I662 S663	M461-Y659 HydrophobicContact SD-CD2 3.83Å; M461-Y659 HydrophobicContact SD-CG 4.18Å; A464-Y659 HydrophobicContact CB-CD2 4.32Å; A464-Y659 HydrophobicContact CB-CE1 4.27Å; A464-Y659 HydrophobicContact CB-CE2 3.68Å; A464-Y659 WeakPolarHBondContact O-CE2 3.48Å; A464-Y659 PolarHBondContact O-OH 3.39Å; L468-Y659 VanDerWaalsContact CD1-OH 3.27Å; L468-Y659 WeakPolarHBondContact CD1-OH 3.4Å; C655-Y659 WeakPolarHBondContact O-CB 3.5Å; C655-Y659 PolarHBondContact O-N 2.84Å; L656-Y659 PolarHBondContact O-N 2.96Å; Y659-I662 HydrophobicContact CD2-CD1 4.38Å; Y659-I662 WeakPolarHBondContact O-CG1 3.26Å; Y659-I662 PolarHBondContact O-N 3.2Å; Y659-S663 VanDerWaalsContact O-CB 3.27Å; Y659-S663 WeakPolarHBondContact O-CB 3.32Å; Y659-S663 PolarHBondContact O-N 2.86Å; Y659-S663 PolarHBondContact O-OG 3.39Å
660	L	95.3	Very high	92.2	Very high	76 Å²	76	59.1 Å²	59.1	40%	0.398	32%	0.316	S	S	.	.	H	α-helix	trans	-64.2	-41.4	176	-66.9	173.6	0	0	0	111.5	L656 M657 Y658 S663 F664	L656-L660 HydrophobicContact CD1-CD1 4.37Å; L656-L660 HydrophobicContact CD1-CG 4.35Å; L656-L660 HydrophobicContact CG-CD1 4.15Å; L656-L660 VanDerWaalsContact O-CG 3.26Å; L656-L660 WeakPolarHBondContact O-CG 3.29Å; L656-L660 PolarHBondContact O-N 3.33Å; M657-L660 PolarHBondContact O-N 3.2Å; Y658-L660 VanDerWaalsContact C-N 3.35Å; Y658-L660 PolarHBondContact O-N 2.78Å; L660-S663 PolarHBondContact O-N 3.31Å; L660-F664 HydrophobicContact CB-CD2 4.42Å; L660-F664 HydrophobicContact CD2-CD2 4.18Å; L660-F664 HydrophobicContact CD2-CE2 3.73Å; L660-F664 VanDerWaalsContact O-CD2 3.29Å; L660-F664 WeakPolarHBondContact O-CD2 3.44Å; L660-F664 PolarHBondContact O-N 2.93Å
661	A	94.1	Very high	91.8	Very high	37 Å²	37	55.4 Å²	55.4	31%	0.306	29%	0.29	S	S	.	.	H	α-helix	trans	-62	-46	177.5	0	0	0	0	0	111.6	M657 Y658 S663 T665	M657-A661 VanDerWaalsContact O-CB 3.26Å; M657-A661 WeakPolarHBondContact O-CB 3.41Å; M657-A661 PolarHBondContact O-N 3.38Å; Y658-A661 PolarHBondContact O-N 3.24Å; A661-S663 VanDerWaalsContact C-N 3.28Å; A661-S663 PolarHBondContact O-N 3.42Å; A661-T665 VanDerWaalsContact O-CB 3.27Å; A661-T665 WeakPolarHBondContact O-CB 3.39Å; A661-T665 WeakPolarHBondContact O-CG2 3.43Å; A661-T665 PolarHBondContact O-N 3.34Å; A661-T665 VanDerWaalsContact O-N 3.08Å; A661-T665 PolarHBondContact O-OG1 3.44Å
662	I	92.7	Very high	91	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.015	29%	0.291	C	S	.	.	H	α-helix	trans	-66.3	-33.8	176.4	66	162.6	0	0	0	111.5	N470 V473 L484 Y658 Y659 Y667 G668	N470-I662 HydrophobicContact CB-CD1 4.4Å; V473-I662 HydrophobicContact CG1-CB 4.44Å; V473-I662 HydrophobicContact CG1-CD1 4.49Å; V473-I662 HydrophobicContact CG1-CG2 4.05Å; V473-I662 HydrophobicContact CG2-CD1 4.18Å; L484-I662 HydrophobicContact CD1-CD1 4.13Å; L484-I662 HydrophobicContact CD2-CD1 3.66Å; Y658-I662 HydrophobicContact CD1-CG2 4.04Å; Y658-I662 HydrophobicContact CE1-CG2 3.65Å; Y658-I662 WeakPolarHBondContact O-CG2 3.04Å; Y658-I662 PolarHBondContact O-N 3.1Å; Y659-I662 HydrophobicContact CD2-CD1 4.38Å; Y659-I662 WeakPolarHBondContact O-CG1 3.26Å; Y659-I662 PolarHBondContact O-N 3.2Å; I662-Y667 HydrophobicContact CG2-CD1 3.91Å; I662-Y667 HydrophobicContact CG2-CE1 4.41Å; I662-G668 WeakPolarHBondContact O-CA 3.04Å; I662-G668 PolarHBondContact O-N 2.67Å
663	S	92.3	Very high	90.2	Very high	24 Å²	24	55.4 Å²	55.4	17%	0.168	28%	0.28	C	S	.	.	H	α-helix	trans	-75.3	-34.7	-175.5	-60.7	0	0	0	0	113.5	L468 N470 Y659 L660 A661	L468-S663 WeakPolarHBondContact CD1-OG 3.35Å; N470-S663 PolarHBondContact ND2-OG 3.22Å; Y659-S663 VanDerWaalsContact O-CB 3.27Å; Y659-S663 WeakPolarHBondContact O-CB 3.32Å; Y659-S663 PolarHBondContact O-N 2.86Å; Y659-S663 PolarHBondContact O-OG 3.39Å; L660-S663 PolarHBondContact O-N 3.31Å; A661-S663 VanDerWaalsContact C-N 3.28Å; A661-S663 PolarHBondContact O-N 3.42Å
664	F	92.3	Very high	89.3	Confident	157 Å²	157	54.1 Å²	54.1	69%	0.689	27%	0.274	S	S	*	.	H	α-helix	trans	-116.2	3.3	-170.4	-62.6	-69.1	0	0	0	114.1	L660	L660-F664 HydrophobicContact CB-CD2 4.42Å; L660-F664 HydrophobicContact CD2-CD2 4.18Å; L660-F664 HydrophobicContact CD2-CE2 3.73Å; L660-F664 VanDerWaalsContact O-CD2 3.29Å; L660-F664 WeakPolarHBondContact O-CD2 3.44Å; L660-F664 PolarHBondContact O-N 2.93Å
665	T	89.1	Confident	88.5	Confident	65 Å²	65	53.4 Å²	53.4	40%	0.399	28%	0.277	S	S	.	.	S	Bend	trans	-128.3	160.8	176.7	80.4	0	0	0	0	111.1	A661 Y667 G668	A661-T665 VanDerWaalsContact O-CB 3.27Å; A661-T665 WeakPolarHBondContact O-CB 3.39Å; A661-T665 WeakPolarHBondContact O-CG2 3.43Å; A661-T665 PolarHBondContact O-N 3.34Å; A661-T665 VanDerWaalsContact O-N 3.08Å; A661-T665 PolarHBondContact O-OG1 3.44Å; T665-Y667 PolarHBondContact O-N 3.36Å; T665-Y667 WeakPolarHBondContact OG1-CB 3.5Å; T665-Y667 PolarHBondContact OG1-N 2.5Å; T665-G668 PolarHBondContact O-N 2.97Å
666	P	83.7	Confident	87.9	Confident	98 Å²	98	63.1 Å²	63.1	64%	0.636	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-58.8	-9	173	-24.5	35.1	0	0	0	114.5	G668 I669	P666-G668 VanDerWaalsContact C-N 3.26Å; P666-G668 PolarHBondContact O-N 2.96Å; P666-I669 HydrophobicContact CB-CD1 3.9Å; P666-I669 VanDerWaalsContact O-CG1 3.29Å; P666-I669 WeakPolarHBondContact O-CG1 3.47Å; P666-I669 PolarHBondContact O-N 3.19Å
667	Y	85.1	Confident	87.3	Confident	92 Å²	92	63.7 Å²	63.7	36%	0.361	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-60.3	-35.3	175.8	-163.9	-69.8	0	0	0	111.9	R477 Y658 I662 T665 I669	R477-Y667 VanDerWaalsContact NH1-CG 3.29Å; Y658-Y667 HydrophobicContact CE2-CE1 4.18Å; I662-Y667 HydrophobicContact CG2-CD1 3.91Å; I662-Y667 HydrophobicContact CG2-CE1 4.41Å; T665-Y667 PolarHBondContact O-N 3.36Å; T665-Y667 WeakPolarHBondContact OG1-CB 3.5Å; T665-Y667 PolarHBondContact OG1-N 2.5Å; Y667-I669 PolarHBondContact O-N 2.7Å
668	G	86	Confident	86.7	Confident	7 Å²	7	57.7 Å²	57.7	7%	0.072	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-83.2	13.4	179.5	0	0	0	0	0	115	V473 I662 T665 P666 P670	V473-G668 WeakPolarHBondContact CG2-O 3.26Å; I662-G668 WeakPolarHBondContact O-CA 3.04Å; I662-G668 PolarHBondContact O-N 2.67Å; T665-G668 PolarHBondContact O-N 2.97Å; P666-G668 VanDerWaalsContact C-N 3.26Å; P666-G668 PolarHBondContact O-N 2.96Å; G668-P670 WeakPolarHBondContact O-CD 3.44Å
669	I	84.5	Confident	86.3	Confident	26 Å²	26	58 Å²	58	13%	0.133	29%	0.285	C	S	.	.			trans	-78.3	120.5	174.6	-55.2	172.4	0	0	0	108.6	P666 Y667 F671 Q672 W858	P666-I669 HydrophobicContact CB-CD1 3.9Å; P666-I669 VanDerWaalsContact O-CG1 3.29Å; P666-I669 WeakPolarHBondContact O-CG1 3.47Å; P666-I669 PolarHBondContact O-N 3.19Å; Y667-I669 PolarHBondContact O-N 2.7Å; I669-F671 VanDerWaalsContact C-N 3.29Å; I669-F671 PolarHBondContact O-N 3.04Å; I669-Q672 PolarHBondContact O-NE2 2.89Å; I669-W858 HydrophobicContact CB-CZ3 4.14Å; I669-W858 HydrophobicContact CD1-CE3 4.3Å; I669-W858 HydrophobicContact CD1-CZ3 4.1Å; I669-W858 HydrophobicContact CG1-CZ3 3.87Å; I669-W858 HydrophobicContact CG2-CE3 3.89Å; I669-W858 HydrophobicContact CG2-CH2 3.72Å; I669-W858 HydrophobicContact CG2-CZ3 3.26Å
670	P	85.8	Confident	85.8	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.019	28%	0.279	C	S	.	.	S	Bend	trans	-65.9	-27.3	-172	23.8	-35.8	0	0	0	114.3	Y471 L472 G476 G668	Y471-P670 WeakPolarHBondContact O-CB 3.07Å; L472-P670 VanDerWaalsContact C-CB 3.42Å; L472-P670 HydrophobicContact CB-CB 3.74Å; L472-P670 WeakPolarHBondContact O-CB 3.4Å; G476-P670 WeakPolarHBondContact CA-O 3.38Å; G476-P670 PolarHBondContact N-O 2.81Å; G668-P670 WeakPolarHBondContact O-CD 3.44Å
671	F	85.7	Confident	85.4	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.018	26%	0.261	C	S	.	.			trans	-110.5	127.9	-175.1	-50.6	-66.3	0	0	0	110.1	L472 Y475 I669 R679 R681 D712 R861	L472-F671 HydrophobicContact CD1-CE1 4.44Å; L472-F671 HydrophobicContact CD1-CZ 4.08Å; Y475-F671 AromaticContact CD1-CD1 3.69Å; Y475-F671 HydrophobicContact CD1-CD1 3.69Å; Y475-F671 AromaticContact CD1-CE1 3.86Å; Y475-F671 HydrophobicContact CD1-CE1 3.86Å; Y475-F671 AromaticContact CE1-CD1 3.81Å; Y475-F671 HydrophobicContact CE1-CD1 3.81Å; Y475-F671 HydrophobicContact CE1-CE1 4.08Å; I669-F671 VanDerWaalsContact C-N 3.29Å; I669-F671 PolarHBondContact O-N 3.04Å; F671-R679 CarbonylContact C-O 3.54Å; F671-R679 VanDerWaalsContact CA-O 3.29Å; F671-R679 WeakPolarHBondContact CA-O 3.27Å; F671-R681 HydrophobicContact CB-CB 4.3Å; F671-R681 HydrophobicContact CD1-CB 3.61Å; F671-R681 HydrophobicContact CD1-CG 4.29Å; F671-R681 HydrophobicContact CD2-CB 3.66Å; F671-R681 HydrophobicContact CD2-CG 4.09Å; F671-R681 HydrophobicContact CE1-CB 3.72Å; F671-R681 HydrophobicContact CE1-CG 3.9Å; F671-R681 HydrophobicContact CE2-CB 3.78Å; F671-R681 VanDerWaalsContact CE2-CD 3.46Å; F671-R681 HydrophobicContact CE2-CG 3.68Å; F671-R681 HydrophobicContact CG-CB 3.58Å; F671-R681 HydrophobicContact CG-CG 4.38Å; F671-R681 HydrophobicContact CZ-CB 3.81Å; F671-R681 HydrophobicContact CZ-CG 3.57Å; F671-D712 HydrophobicContact CZ-CB 4.49Å; F671-R861 HydrophobicContact CB-CB 3.82Å; F671-R861 VanDerWaalsContact O-CD 3.23Å; F671-R861 WeakPolarHBondContact O-CD 3.3Å; F671-R861 PolarHBondContact O-NH1 2.85Å
672	Q	78.1	Confident	85	Confident	39 Å²	39	52 Å²	52	18%	0.182	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-129.6	125.6	-174.1	-59.8	-175	17.9	0	0	108.9	I669 R679	I669-Q672 PolarHBondContact O-NE2 2.89Å; Q672-R679 PolarHBondContact N-O 3.33Å; Q672-R679 CarbonylContact O-C 3.59Å; Q672-R679 WeakPolarHBondContact O-CA 3.15Å; Q672-R679 PolarHBondContact O-N 3.35Å
673	Y	77.6	Confident	84.7	Confident	38 Å²	38	51.9 Å²	51.9	15%	0.149	25%	0.248	C	C	.	.			trans	-95	112.6	172.5	-176.7	-125.1	0	0	0	109.2	F336 L675 L680 R848 I852	F336-Y673 AromaticContact CE1-CE2 3.94Å; F336-Y673 HydrophobicContact CE1-CE2 3.94Å; F336-Y673 HydrophobicContact CZ-CD2 4.46Å; F336-Y673 AromaticContact CZ-CE2 3.7Å; F336-Y673 HydrophobicContact CZ-CE2 3.7Å; Y673-L675 HydrophobicContact CE2-CD2 4.41Å; Y673-L675 VanDerWaalsContact OH-CD2 3.25Å; Y673-L675 WeakPolarHBondContact OH-CD2 3.3Å; Y673-L680 HydrophobicContact CD2-CD1 4.03Å; Y673-L680 HydrophobicContact CD2-CD2 3.86Å; Y673-L680 HydrophobicContact CD2-CG 4.33Å; Y673-L680 HydrophobicContact CE2-CD1 4.5Å; Y673-L680 HydrophobicContact CG-CD2 4.2Å; Y673-R848 HydrophobicContact CD1-CG 3.65Å; Y673-R848 HydrophobicContact CD2-CG 3.93Å; Y673-R848 HydrophobicContact CE1-CG 3.43Å; Y673-R848 VanDerWaalsContact CE1-CG 3.43Å; Y673-R848 WeakPolarHBondContact CE1-O 3.5Å; Y673-R848 HydrophobicContact CE2-CG 3.73Å; Y673-R848 HydrophobicContact CG-CG 3.89Å; Y673-R848 VanDerWaalsContact CZ-CG 3.46Å; Y673-I852 HydrophobicContact CD1-CG1 4.29Å; Y673-I852 HydrophobicContact CE1-CD1 3.98Å; Y673-I852 HydrophobicContact CE1-CG1 3.61Å
674	D	77.8	Confident	84.3	Confident	75 Å²	75	50.8 Å²	50.8	40%	0.401	24%	0.241	S	C	.	.			trans	-136.8	127.8	167.7	178.8	-3	0	0	0	106.6	R676 Q677 P678	D674-R676 PolarHBondContact O-N 3.1Å; D674-R676 VanDerWaalsContact O-N 3.14Å; D674-R676 PolarHBondContact OD1-N 3.13Å; D674-Q677 CarbonylContact O-C 3.57Å; D674-Q677 PolarHBondContact O-N 3.39Å; D674-P678 WeakPolarHBondContact O-CA 3.23Å; D674-P678 WeakPolarHBondContact O-CD 2.96Å
675	L	81	Confident	83.9	Confident	91 Å²	91	43.3 Å²	43.3	48%	0.476	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.6	176.5	-78.8	173.8	0	0	0	112.9	Y341 Y673 I852	Y341-L675 VanDerWaalsContact CE1-O 3.25Å; Y341-L675 WeakPolarHBondContact CE1-O 3.17Å; Y341-L675 PolarHBondContact OH-O 3.43Å; Y673-L675 HydrophobicContact CE2-CD2 4.41Å; Y673-L675 VanDerWaalsContact OH-CD2 3.25Å; Y673-L675 WeakPolarHBondContact OH-CD2 3.3Å; L675-I852 HydrophobicContact CD1-CD1 3.74Å; L675-I852 HydrophobicContact CG-CD1 4.25Å
676	R	83.5	Confident	83.6	Confident	212 Å²	212	40.2 Å²	40.2	80%	0.8	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-29.3	174.6	-62.3	-178.9	178.2	-172.4	-0.4	112.3	D674	D674-R676 PolarHBondContact O-N 3.1Å; D674-R676 VanDerWaalsContact O-N 3.14Å; D674-R676 PolarHBondContact OD1-N 3.13Å
677	Q	82.5	Confident	83.6	Confident	103 Å²	103	35.7 Å²	35.7	48%	0.481	16%	0.159	S	C	.	.	S	Bend	trans	-149.5	74.7	-174.4	-64.5	-169.7	-5.3	0	0	110.7	D674 R679	D674-Q677 CarbonylContact O-C 3.57Å; D674-Q677 PolarHBondContact O-N 3.39Å; Q677-R679 PolarHBondContact O-N 3.44Å
678	P	83.9	Confident	83.4	Confident	4 Å²	4	31.7 Å²	31.7	3%	0.026	14%	0.143	C	C	.	.			trans	-68.4	117.1	-178	26.4	-34.1	0	0	0	110.4	V331 F336 Y341 D674 L680	V331-P678 HydrophobicContact CG1-CG 3.91Å; F336-P678 HydrophobicContact CB-CB 4.32Å; F336-P678 HydrophobicContact CB-CG 3.72Å; F336-P678 HydrophobicContact CD1-CB 3.98Å; F336-P678 HydrophobicContact CD1-CG 3.89Å; F336-P678 HydrophobicContact CD2-CB 4.07Å; F336-P678 HydrophobicContact CD2-CG 4.39Å; F336-P678 HydrophobicContact CE1-CB 4.33Å; F336-P678 HydrophobicContact CE2-CB 4.46Å; F336-P678 HydrophobicContact CG-CB 3.83Å; F336-P678 HydrophobicContact CG-CG 3.73Å; Y341-P678 HydrophobicContact CD1-CG 4.38Å; Y341-P678 HydrophobicContact CE1-CG 3.75Å; Y341-P678 HydrophobicContact CE2-CG 4.46Å; D674-P678 WeakPolarHBondContact O-CA 3.23Å; D674-P678 WeakPolarHBondContact O-CD 2.96Å; P678-L680 HydrophobicContact CB-CD1 4.39Å; P678-L680 HydrophobicContact CB-CG 4.46Å
679	R	86.3	Confident	83.2	Confident	30 Å²	30	33.4 Å²	33.4	11%	0.113	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-121.8	67.9	178	-61.1	178.7	-167.4	-167.2	2.6	108.9	Y330 Y475 G476 F671 Q672 Q677	Y330-R679 HydrophobicContact CD1-CB 4.31Å; Y330-R679 HydrophobicContact CD1-CG 3.85Å; Y330-R679 HydrophobicContact CE1-CG 4.13Å; Y330-R679 HydrophobicContact CG-CG 4.24Å; Y475-R679 HydrophobicContact CE1-CB 4.36Å; Y475-R679 WeakPolarHBondContact O-CD 3.25Å; G476-R679 WeakPolarHBondContact O-CD 3.28Å; G476-R679 PolarHBondContact O-NH1 3.03Å; F671-R679 CarbonylContact C-O 3.54Å; F671-R679 VanDerWaalsContact CA-O 3.29Å; F671-R679 WeakPolarHBondContact CA-O 3.27Å; Q672-R679 PolarHBondContact N-O 3.33Å; Q672-R679 CarbonylContact O-C 3.59Å; Q672-R679 WeakPolarHBondContact O-CA 3.15Å; Q672-R679 PolarHBondContact O-N 3.35Å; Q677-R679 PolarHBondContact O-N 3.44Å
680	L	85.4	Confident	83	Confident	5 Å²	5	34.5 Å²	34.5	3%	0.026	16%	0.155	C	C	.	.			trans	-98.1	149.7	-167.6	-62.9	173	0	0	0	112.4	F336 Y475 Y673 P678 T863	F336-L680 HydrophobicContact CD2-CD1 3.85Å; F336-L680 HydrophobicContact CE2-CD1 3.13Å; F336-L680 HydrophobicContact CZ-CD1 3.7Å; Y475-L680 PolarHBondContact OH-O 3.34Å; Y673-L680 HydrophobicContact CD2-CD1 4.03Å; Y673-L680 HydrophobicContact CD2-CD2 3.86Å; Y673-L680 HydrophobicContact CD2-CG 4.33Å; Y673-L680 HydrophobicContact CE2-CD1 4.5Å; Y673-L680 HydrophobicContact CG-CD2 4.2Å; P678-L680 HydrophobicContact CB-CD1 4.39Å; P678-L680 HydrophobicContact CB-CG 4.46Å; L680-T863 HydrophobicContact CB-CG2 4Å
681	R	87	Confident	82.6	Confident	4 Å²	4	40.5 Å²	40.5	2%	0.015	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	137.4	169.4	-170.2	175.6	-168	179.7	-2.4	109.4	F671 D712 G715 K717 D718 R861 L862 T863	F671-R681 HydrophobicContact CB-CB 4.3Å; F671-R681 HydrophobicContact CD1-CB 3.61Å; F671-R681 HydrophobicContact CD1-CG 4.29Å; F671-R681 HydrophobicContact CD2-CB 3.66Å; F671-R681 HydrophobicContact CD2-CG 4.09Å; F671-R681 HydrophobicContact CE1-CB 3.72Å; F671-R681 HydrophobicContact CE1-CG 3.9Å; F671-R681 HydrophobicContact CE2-CB 3.78Å; F671-R681 VanDerWaalsContact CE2-CD 3.46Å; F671-R681 HydrophobicContact CE2-CG 3.68Å; F671-R681 HydrophobicContact CG-CB 3.58Å; F671-R681 HydrophobicContact CG-CG 4.38Å; F671-R681 HydrophobicContact CZ-CB 3.81Å; F671-R681 HydrophobicContact CZ-CG 3.57Å; R681-D712 WeakPolarHBondContact CG-OD2 3.21Å; R681-D712 IonicContact CZ-OD1 3.48Å; R681-D712 IonicContact CZ-OD2 2.91Å; R681-D712 IonicContact NE-OD1 3.16Å; R681-D712 IonicContact NE-OD2 2.76Å; R681-D712 PolarHBondContact NE-OD2 2.88Å; R681-D712 IonicContact NH2-OD1 2.88Å; R681-D712 PolarHBondContact NH2-OD1 3.48Å; R681-D712 IonicContact NH2-OD2 3.93Å; R681-D712 PolarHBondContact NH2-OD2 2.95Å; R681-G715 PolarHBondContact NH2-O 3.06Å; R681-K717 PolarHBondContact NH1-O 3.31Å; R681-D718 PolarHBondContact NH1-O 2.79Å; R681-D718 IonicContact NH1-OD2 3.52Å; R681-D718 PolarHBondContact NH1-OD2 3.31Å; R681-R861 WeakPolarHBondContact CB-O 3.06Å; R681-R861 PolarHBondContact N-O 3.24Å; R681-L862 HydrophobicContact CB-CD2 3.85Å; R681-L862 HydrophobicContact CG-CD2 4.14Å; R681-L862 CarbonylContact O-C 3.15Å; R681-L862 WeakPolarHBondContact O-CA 3.25Å; R681-T863 PolarHBondContact O-N 3.32Å; R681-T863 VanDerWaalsContact O-O 3.14Å
682	R	85.5	Confident	82	Confident	12 Å²	12	43.8 Å²	43.8	5%	0.045	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.9	178.6	-49.4	-158.8	-171.8	165.9	2.3	111.2	G329 Y330 Y332 N334 L711 T863	G329-R682 PolarHBondContact O-NH2 2.83Å; Y330-R682 PolarHBondContact O-NH2 2.73Å; Y332-R682 PolarHBondContact O-NH1 3.38Å; Y332-R682 PolarHBondContact O-NH2 2.96Å; N334-R682 PolarHBondContact ND2-NE 3.26Å; N334-R682 PolarHBondContact ND2-NH2 2.8Å; R682-L711 HydrophobicContact CB-CB 4.28Å; R682-L711 HydrophobicContact CB-CD1 4.02Å; R682-L711 HydrophobicContact CB-CG 4.44Å; R682-L711 PolarHBondContact O-N 3.41Å; R682-T863 WeakPolarHBondContact CA-O 3.44Å; R682-T863 HydrophobicContact CB-CG2 4.25Å; R682-T863 HydrophobicContact CG-CG2 3.64Å
683	I	86	Confident	81.5	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	141.5	171.4	62	176.1	0	0	0	109.3	M685 V708 P710 L719 I725 L862 T863 V864 D865	I683-M685 HydrophobicContact CD1-CE 3.3Å; I683-M685 HydrophobicContact CG1-CE 4.22Å; I683-V708 HydrophobicContact CD1-CG1 4.42Å; I683-P710 HydrophobicContact CG2-CB 4.19Å; I683-P710 HydrophobicContact CG2-CG 4.31Å; I683-L719 HydrophobicContact CG2-CD2 3.87Å; I683-I725 HydrophobicContact CD1-CD1 4.33Å; I683-L862 HydrophobicContact CD1-CD1 3.49Å; I683-L862 VanDerWaalsContact CD1-CD1 3.49Å; I683-L862 HydrophobicContact CD1-CD2 4.35Å; I683-L862 HydrophobicContact CD1-CG 4.43Å; I683-L862 HydrophobicContact CG1-CD1 4.37Å; I683-L862 HydrophobicContact CG2-CD2 4.26Å; I683-T863 PolarHBondContact N-O 3.28Å; I683-V864 HydrophobicContact CD1-CG2 3.94Å; I683-V864 HydrophobicContact CG1-CB 4.28Å; I683-V864 HydrophobicContact CG1-CG1 4.12Å; I683-V864 HydrophobicContact CG1-CG2 3.79Å; I683-V864 WeakPolarHBondContact O-CA 3.34Å; I683-D865 PolarHBondContact O-N 3.32Å
684	H	84	Confident	80.7	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.3	172.4	-169.6	71.4	0	0	0	109.4	V708 Y709 D865 W867	H684-V708 CarbonylContact O-C 3.5Å; H684-V708 WeakPolarHBondContact O-CA 3.43Å; H684-Y709 HydrophobicContact CB-CD1 3.97Å; H684-Y709 HydrophobicContact CB-CD2 3.85Å; H684-Y709 HydrophobicContact CB-CE1 3.65Å; H684-Y709 HydrophobicContact CB-CE2 3.46Å; H684-Y709 VanDerWaalsContact CB-CE2 3.46Å; H684-Y709 HydrophobicContact CB-CG 4.07Å; H684-Y709 AromaticContact CD2-CD1 3.83Å; H684-Y709 AromaticContact CD2-CE1 3.03Å; H684-Y709 WeakPolarHBondContact CD2-CE1 3.2Å; H684-Y709 AromaticContact CD2-CZ 3.29Å; H684-Y709 PolarHBondContact CD2-OH 3.03Å; H684-Y709 VanDerWaalsContact CD2-OH 3.28Å; H684-Y709 AromaticContact CG-CE1 3.47Å; H684-Y709 VanDerWaalsContact CG-CE1 3.47Å; H684-Y709 AromaticContact CG-CE2 3.87Å; H684-Y709 AromaticContact CG-CZ 3.23Å; H684-Y709 PolarHBondContact N-O 3.46Å; H684-Y709 PolarHBondContact O-N 3.22Å; H684-D865 CarbonylContact C-O 3.52Å; H684-D865 VanDerWaalsContact CA-O 3.27Å; H684-D865 WeakPolarHBondContact CA-O 3.44Å; H684-D865 PolarHBondContact CE1-O 2.78Å; H684-D865 IonicContact CE1-OD2 3.03Å; H684-D865 PolarHBondContact CE1-OD2 3.12Å; H684-D865 PolarHBondContact ND1-O 2.87Å; H684-D865 IonicContact ND1-OD2 2.63Å; H684-D865 PolarHBondContact ND1-OD2 3.15Å; H684-W867 AromaticContact CD2-CZ2 3.92Å; H684-W867 AromaticContact CE1-CD2 3.36Å; H684-W867 AromaticContact CE1-CE2 3.25Å; H684-W867 AromaticContact CE1-CE3 3.2Å; H684-W867 AromaticContact CE1-CH2 2.91Å; H684-W867 WeakPolarHBondContact CE1-CH2 3.29Å; H684-W867 AromaticContact CE1-CZ2 3.02Å; H684-W867 WeakPolarHBondContact CE1-CZ2 3.46Å; H684-W867 AromaticContact CE1-CZ3 3Å; H684-W867 WeakPolarHBondContact CE1-CZ3 3.36Å; H684-W867 AromaticContact ND1-CH2 3.38Å; H684-W867 WeakPolarHBondContact ND1-CH2 3.44Å; H684-W867 AromaticContact ND1-CZ2 3.8Å; H684-W867 AromaticContact ND1-CZ3 3.59Å; H684-W867 AromaticContact NE2-CD2 3.59Å; H684-W867 AromaticContact NE2-CE2 3.11Å; H684-W867 AromaticContact NE2-CE3 3.93Å; H684-W867 AromaticContact NE2-CH2 3.49Å; H684-W867 WeakPolarHBondContact NE2-CH2 2.99Å; H684-W867 AromaticContact NE2-CZ2 3.04Å; H684-W867 WeakPolarHBondContact NE2-CZ2 3.11Å; H684-W867 AromaticContact NE2-CZ3 3.9Å; H684-W867 AromaticContact NE2-NE1 3.63Å
685	M	84.2	Confident	79.4	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122	178.5	-67.9	-163.2	-166.9	0	0	111.7	I683 L706 W707 V708 I725 L837 L840 I844 V864 D865 A866 W867	I683-M685 HydrophobicContact CD1-CE 3.3Å; I683-M685 HydrophobicContact CG1-CE 4.22Å; M685-L706 HydrophobicContact CB-CD1 4.2Å; M685-W707 CarbonylContact C-O 3.39Å; M685-W707 WeakPolarHBondContact CA-O 3.45Å; M685-V708 HydrophobicContact CG-CG1 4.26Å; M685-V708 HydrophobicContact CG-CG2 4.11Å; M685-V708 HydrophobicContact SD-CG2 4.5Å; M685-I725 HydrophobicContact CE-CD1 3.73Å; M685-I725 HydrophobicContact CE-CG1 4.32Å; M685-L837 HydrophobicContact CB-CD1 4.27Å; M685-L837 HydrophobicContact SD-CD1 4.2Å; M685-L840 HydrophobicContact CE-CD2 4.12Å; M685-L840 HydrophobicContact SD-CD2 3.67Å; M685-L840 HydrophobicContact SD-CG 4.44Å; M685-I844 HydrophobicContact CE-CD1 3.74Å; M685-V864 HydrophobicContact CB-CG1 4.21Å; M685-V864 HydrophobicContact CE-CG1 3.99Å; M685-V864 HydrophobicContact CE-CG2 4.3Å; M685-V864 HydrophobicContact CG-CG1 3.77Å; M685-V864 HydrophobicContact SD-CG1 3.95Å; M685-D865 PolarHBondContact N-O 2.9Å; M685-A866 HydrophobicContact CB-CB 4.09Å; M685-A866 VanDerWaalsContact O-CA 3.28Å; M685-A866 WeakPolarHBondContact O-CA 3.33Å; M685-W867 PolarHBondContact O-N 2.8Å
686	Q	82.2	Confident	77.9	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	111.7	178.6	-175.6	169.5	16.8	0	0	111.2	F688 W707 P743 W867	Q686-F688 HydrophobicContact CG-CB 4.49Å; Q686-W707 HydrophobicContact CB-CB 4.44Å; Q686-W707 HydrophobicContact CB-CE3 4.42Å; Q686-W707 PolarHBondContact N-O 2.92Å; Q686-W707 PolarHBondContact O-N 2.86Å; Q686-P743 HydrophobicContact CG-CG 4.46Å; Q686-P743 PolarHBondContact NE2-O 2.92Å; Q686-P743 PolarHBondContact OE1-O 3.06Å; Q686-W867 VanDerWaalsContact CA-O 3.31Å; Q686-W867 WeakPolarHBondContact CA-O 3.19Å; Q686-W867 VanDerWaalsContact CD-NE1 3.3Å
687	H	83.1	Confident	76.3	Confident	2 Å²	2	52 Å²	52	1%	0.009	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	116.6	168.9	-174.4	179.2	0	0	0	109.1	W705 L706 M762 E763 L765 S834 L837 W867 N868 S869	H687-W705 CarbonylContact C-O 3.5Å; H687-W705 WeakPolarHBondContact CA-O 3.46Å; H687-W705 PolarHBondContact CD2-O 2.8Å; H687-L706 HydrophobicContact CB-CD1 4.3Å; H687-M762 WeakPolarHBondContact NE2-CB 3.11Å; H687-E763 PolarHBondContact CE1-O 2.84Å; H687-E763 PolarHBondContact NE2-O 3.46Å; H687-E763 VanDerWaalsContact NE2-O 3.16Å; H687-L765 WeakPolarHBondContact ND1-CD2 3.3Å; H687-S834 WeakPolarHBondContact ND1-CB 3.35Å; H687-S834 PolarHBondContact ND1-OG 3.05Å; H687-L837 HydrophobicContact CB-CD2 4.22Å; H687-W867 PolarHBondContact N-O 3Å; H687-W867 VanDerWaalsContact N-O 3.12Å; H687-N868 HydrophobicContact CB-CB 4.17Å; H687-N868 CarbonylContact O-C 3.57Å; H687-N868 WeakPolarHBondContact O-CA 3.36Å; H687-N868 WeakPolarHBondContact O-CB 3.46Å; H687-S869 PolarHBondContact O-N 3.24Å; H687-S869 PolarHBondContact O-OG 2.86Å
688	F	82.2	Confident	74.8	Confident	8 Å²	8	54.4 Å²	54.4	4%	0.035	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	154.4	-178.6	73.6	-77.9	0	0	0	114.9	Q686 R690 N704 W705 W707 L742 P743 L759 S869	Q686-F688 HydrophobicContact CG-CB 4.49Å; F688-R690 HydrophobicContact CD2-CB 4.36Å; F688-R690 HydrophobicContact CE2-CB 3.99Å; F688-N704 WeakPolarHBondContact O-CA 3.05Å; F688-W705 HydrophobicContact CD1-CB 4.02Å; F688-W705 WeakPolarHBondContact CD1-O 3.07Å; F688-W705 HydrophobicContact CE1-CB 3.43Å; F688-W705 VanDerWaalsContact CE1-CB 3.43Å; F688-W705 HydrophobicContact CE1-CG 4.35Å; F688-W705 HydrophobicContact CE2-CB 4.38Å; F688-W705 HydrophobicContact CZ-CB 3.65Å; F688-W705 HydrophobicContact CZ-CG 4.11Å; F688-W705 PolarHBondContact N-O 3.39Å; F688-W705 PolarHBondContact O-N 3.1Å; F688-W707 HydrophobicContact CD1-CB 4.25Å; F688-W707 HydrophobicContact CE1-CB 3.84Å; F688-L742 HydrophobicContact CZ-CD2 4.29Å; F688-P743 HydrophobicContact CB-CG 4.15Å; F688-P743 HydrophobicContact CD1-CG 3.8Å; F688-P743 HydrophobicContact CD2-CG 3.85Å; F688-P743 HydrophobicContact CE1-CG 4.12Å; F688-P743 HydrophobicContact CE2-CG 4.13Å; F688-P743 HydrophobicContact CG-CG 3.66Å; F688-P743 HydrophobicContact CZ-CG 4.27Å; F688-L759 HydrophobicContact CE1-CD2 3.75Å; F688-L759 HydrophobicContact CZ-CD2 3.89Å; F688-S869 VanDerWaalsContact CA-OG 3.24Å; F688-S869 WeakPolarHBondContact CA-OG 3.4Å; F688-S869 WeakPolarHBondContact CB-OG 3.22Å
689	T	81.7	Confident	73.2	Confident	43 Å²	43	57 Å²	57	26%	0.264	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.8	170.3	-56.4	0	0	0	0	109.4	I702 E703 N704 L765	T689-I702 HydrophobicContact CG2-CG2 3.56Å; T689-E703 CarbonylContact C-O 3.48Å; T689-E703 WeakPolarHBondContact CA-O 3.49Å; T689-N704 PolarHBondContact OG1-OD1 3.31Å; T689-L765 WeakPolarHBondContact OG1-CD1 3.47Å
690	R	80.3	Confident	72	Confident	49 Å²	49	62.2 Å²	62.2	19%	0.185	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	132	173.7	-176.7	167.2	65.7	-179.9	3.6	110.4	F688 I702 E703	F688-R690 HydrophobicContact CD2-CB 4.36Å; F688-R690 HydrophobicContact CE2-CB 3.99Å; R690-I702 WeakPolarHBondContact O-CA 3.24Å; R690-E703 IonicContact CZ-OE2 3.66Å; R690-E703 PolarHBondContact N-O 3.46Å; R690-E703 IonicContact NE-OE2 3.82Å; R690-E703 PolarHBondContact NE-OE2 3.22Å; R690-E703 IonicContact NH2-OE2 3.84Å; R690-E703 PolarHBondContact NH2-OE2 3.22Å; R690-E703 PolarHBondContact O-N 3.41Å
691	R	77.5	Confident	71.3	Confident	130 Å²	130	63.9 Å²	63.9	49%	0.491	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	121.2	172	-59.7	-171.9	-179.6	171.9	-1.1	109.3	I702	R691-I702 HydrophobicContact CG-CG1 4.14Å; R691-I702 HydrophobicContact CG-CG2 4.41Å
692	N	71.8	Confident	70.8	Confident	72 Å²	72	68.3 Å²	68.3	39%	0.385	37%	0.367	S	S	.	.			trans	-93.9	115.1	172.9	-68.6	-6.8	0	0	0	109.1	N700 A701	N692-N700 PolarHBondContact O-N 3.03Å; N692-A701 PolarHBondContact N-O 2.81Å
693	C	67.4	Low	70.8	Confident	67 Å²	67	70.7 Å²	70.7	45%	0.453	38%	0.379	S	S	.	.			trans	-108.1	155.5	173.5	56.4	0	0	0	0	110.4	N695	C693-N695 PolarHBondContact O-N 3.3Å
694	C	60.9	Low	70.8	Confident	92 Å²	92	72 Å²	72	62%	0.622	39%	0.386	S	S	*	.	S	Bend	trans	79.2	2.2	164.1	-49.8	0	0	0	0	119.9
695	N	51.3	Low	71.1	Confident	127 Å²	127	72.6 Å²	72.6	68%	0.679	39%	0.388	S	S	*	.			trans	-98	119.9	163.5	-83.5	-11.1	0	0	0	110.4	C693 L697 K698 A699	C693-N695 PolarHBondContact O-N 3.3Å; N695-L697 PolarHBondContact O-N 2.93Å; N695-K698 PolarHBondContact O-N 3.2Å; N695-A699 PolarHBondContact O-N 3.43Å; N695-A699 VanDerWaalsContact O-N 3.14Å
696	D	50.1	Low	71.3	Confident	171 Å²	171	72.6 Å²	72.6	91%	0.914	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-13.8	-176.1	-77.7	-29.4	0	0	0	115.2
697	L	48.3	Very low	71.7	Confident	171 Å²	171	72.6 Å²	72.6	90%	0.895	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-9.7	-176.6	-71.1	159.7	0	0	0	114.7	N695	N695-L697 PolarHBondContact O-N 2.93Å
698	K	50.8	Low	71.9	Confident	153 Å²	153	72.5 Å²	72.5	67%	0.665	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.6	15.8	-179.6	-75.1	-171.1	179.5	177.5	0	114.4	N695 N700 A701	N695-K698 PolarHBondContact O-N 3.2Å; K698-N700 PolarHBondContact O-N 3.07Å; K698-A701 PolarHBondContact O-N 3.31Å
699	A	51.6	Low	72.2	Confident	60 Å²	60	73 Å²	73	50%	0.496	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	114.5	-174.3	0	0	0	0	0	111.3	N695	N695-A699 PolarHBondContact O-N 3.43Å; N695-A699 VanDerWaalsContact O-N 3.14Å
700	N	61.1	Low	72.5	Confident	139 Å²	139	71.1 Å²	71.1	74%	0.743	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.4	17.7	178.6	-55.4	-21.4	0	0	0	119	N692 K698 I702	N692-N700 PolarHBondContact O-N 3.03Å; K698-N700 PolarHBondContact O-N 3.07Å; N700-I702 PolarHBondContact O-N 2.82Å
701	A	69.3	Low	72.8	Confident	40 Å²	40	70.6 Å²	70.6	33%	0.331	38%	0.379	S	S	.	.			trans	-66	117.5	165.5	0	0	0	0	0	110.7	N692 K698	N692-A701 PolarHBondContact N-O 2.81Å; K698-A701 PolarHBondContact O-N 3.31Å
702	I	78.1	Confident	73.3	Confident	96 Å²	96	64.6 Å²	64.6	49%	0.492	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	126.1	170.1	-53.4	-175.7	0	0	0	107.8	T689 R690 R691 N700	T689-I702 HydrophobicContact CG2-CG2 3.56Å; R690-I702 WeakPolarHBondContact O-CA 3.24Å; R691-I702 HydrophobicContact CG-CG1 4.14Å; R691-I702 HydrophobicContact CG-CG2 4.41Å; N700-I702 PolarHBondContact O-N 2.82Å
703	E	84.1	Confident	74	Confident	62 Å²	62	62.5 Å²	62.5	29%	0.29	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	143.5	178.2	-55.7	178.5	161.1	0	0	110.2	T689 R690 W705	T689-E703 CarbonylContact C-O 3.48Å; T689-E703 WeakPolarHBondContact CA-O 3.49Å; R690-E703 IonicContact CZ-OE2 3.66Å; R690-E703 PolarHBondContact N-O 3.46Å; R690-E703 IonicContact NE-OE2 3.82Å; R690-E703 PolarHBondContact NE-OE2 3.22Å; R690-E703 IonicContact NH2-OE2 3.84Å; R690-E703 PolarHBondContact NH2-OE2 3.22Å; R690-E703 PolarHBondContact O-N 3.41Å; E703-W705 PolarHBondContact OE2-NE1 3.43Å
704	N	87.2	Confident	75	Confident	29 Å²	29	60.8 Å²	60.8	16%	0.155	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.1	179.2	-49.6	-74.6	0	0	0	109.3	F688 T689 M762 E763 A764	F688-N704 WeakPolarHBondContact O-CA 3.05Å; T689-N704 PolarHBondContact OG1-OD1 3.31Å; N704-M762 PolarHBondContact O-N 2.93Å; N704-E763 WeakPolarHBondContact CB-O 2.9Å; N704-A764 VanDerWaalsContact CG-CA 3.47Å; N704-A764 WeakPolarHBondContact ND2-CA 3.18Å
705	W	89.4	Confident	76.2	Confident	14 Å²	14	56.4 Å²	56.4	5%	0.053	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	140.8	-168.6	-65.5	105.4	0	0	0	111.3	H687 F688 E703 H729 L759 T760 K761	H687-W705 CarbonylContact C-O 3.5Å; H687-W705 WeakPolarHBondContact CA-O 3.46Å; H687-W705 PolarHBondContact CD2-O 2.8Å; F688-W705 HydrophobicContact CD1-CB 4.02Å; F688-W705 WeakPolarHBondContact CD1-O 3.07Å; F688-W705 HydrophobicContact CE1-CB 3.43Å; F688-W705 VanDerWaalsContact CE1-CB 3.43Å; F688-W705 HydrophobicContact CE1-CG 4.35Å; F688-W705 HydrophobicContact CE2-CB 4.38Å; F688-W705 HydrophobicContact CZ-CB 3.65Å; F688-W705 HydrophobicContact CZ-CG 4.11Å; F688-W705 PolarHBondContact N-O 3.39Å; F688-W705 PolarHBondContact O-N 3.1Å; E703-W705 PolarHBondContact OE2-NE1 3.43Å; W705-H729 AromaticContact CH2-NE2 3.94Å; W705-H729 AromaticContact CZ3-NE2 3.74Å; W705-L759 HydrophobicContact CB-CD2 3.91Å; W705-L759 HydrophobicContact CD2-CD2 4.46Å; W705-L759 HydrophobicContact CE3-CB 3.94Å; W705-L759 HydrophobicContact CE3-CD2 4.49Å; W705-L759 HydrophobicContact CG-CD2 4.23Å; W705-L759 HydrophobicContact CZ3-CB 4.27Å; W705-T760 CarbonylContact C-O 3.59Å; W705-T760 VanDerWaalsContact CA-O 3.28Å; W705-T760 WeakPolarHBondContact CA-O 3.42Å; W705-T760 VanDerWaalsContact CE3-C 3.49Å; W705-K761 HydrophobicContact CE3-CG 3.87Å; W705-K761 HydrophobicContact CH2-CD 4.21Å; W705-K761 HydrophobicContact CH2-CG 3.5Å; W705-K761 HydrophobicContact CZ2-CG 4.22Å; W705-K761 HydrophobicContact CZ3-CB 4.29Å; W705-K761 HydrophobicContact CZ3-CD 4.44Å; W705-K761 HydrophobicContact CZ3-CG 3.31Å
706	L	89	Confident	77.8	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	116.5	159.7	179.4	68.2	0	0	0	107.7	M685 H687 V708 E724 L759 T760 M762 L837 L840	M685-L706 HydrophobicContact CB-CD1 4.2Å; H687-L706 HydrophobicContact CB-CD1 4.3Å; L706-V708 HydrophobicContact CD2-CG2 4.01Å; L706-V708 HydrophobicContact CG-CG2 3.91Å; L706-E724 HydrophobicContact CD2-CB 4.17Å; L706-L759 WeakPolarHBondContact O-CA 3.03Å; L706-T760 PolarHBondContact N-O 2.96Å; L706-T760 PolarHBondContact O-N 3.33Å; L706-M762 HydrophobicContact CB-CE 4.22Å; L706-M762 HydrophobicContact CB-CG 3.44Å; L706-M762 VanDerWaalsContact CB-CG 3.44Å; L706-M762 HydrophobicContact CB-SD 3.69Å; L706-M762 HydrophobicContact CD2-CE 4.46Å; L706-M762 HydrophobicContact CD2-SD 4.26Å; L706-M762 VanDerWaalsContact N-CG 3.3Å; L706-L837 HydrophobicContact CD1-CD1 3.95Å; L706-L840 HydrophobicContact CD2-CD2 3.94Å
707	W	89.7	Confident	79.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	121.6	171.9	-173.8	36.5	0	0	0	109.8	M685 Q686 F688 Y709 L742 P743 Y744 S757 L758 L759	M685-W707 CarbonylContact C-O 3.39Å; M685-W707 WeakPolarHBondContact CA-O 3.45Å; Q686-W707 HydrophobicContact CB-CB 4.44Å; Q686-W707 HydrophobicContact CB-CE3 4.42Å; Q686-W707 PolarHBondContact N-O 2.92Å; Q686-W707 PolarHBondContact O-N 2.86Å; F688-W707 HydrophobicContact CD1-CB 4.25Å; F688-W707 HydrophobicContact CE1-CB 3.84Å; W707-Y709 AromaticContact CD2-CD1 3.69Å; W707-Y709 HydrophobicContact CD2-CD1 3.69Å; W707-Y709 HydrophobicContact CD2-CE1 4.19Å; W707-Y709 AromaticContact CE2-CD1 3.64Å; W707-Y709 AromaticContact CE3-CD1 3.73Å; W707-Y709 HydrophobicContact CE3-CD1 3.73Å; W707-Y709 AromaticContact CE3-CE1 3.72Å; W707-Y709 HydrophobicContact CE3-CE1 3.72Å; W707-Y709 HydrophobicContact CG-CD1 4.44Å; W707-Y709 AromaticContact CH2-CD1 3.68Å; W707-Y709 HydrophobicContact CH2-CD1 3.68Å; W707-Y709 AromaticContact CH2-CE1 3.67Å; W707-Y709 HydrophobicContact CH2-CE1 3.67Å; W707-Y709 HydrophobicContact CH2-CG 4.39Å; W707-Y709 AromaticContact CZ2-CD1 3.65Å; W707-Y709 HydrophobicContact CZ2-CD1 3.65Å; W707-Y709 HydrophobicContact CZ2-CE1 4.15Å; W707-Y709 HydrophobicContact CZ2-CG 4.13Å; W707-Y709 AromaticContact CZ3-CD1 3.72Å; W707-Y709 HydrophobicContact CZ3-CD1 3.72Å; W707-Y709 AromaticContact CZ3-CE1 3.44Å; W707-Y709 HydrophobicContact CZ3-CE1 3.44Å; W707-Y709 VanDerWaalsContact CZ3-CE1 3.44Å; W707-L742 HydrophobicContact CD2-CD2 4.36Å; W707-L742 HydrophobicContact CG-CD2 4.36Å; W707-L742 HydrophobicContact CH2-CB 4.21Å; W707-L742 HydrophobicContact CZ2-CB 4.13Å; W707-L742 HydrophobicContact CZ2-CD1 3.81Å; W707-L742 HydrophobicContact CZ2-CG 4.5Å; W707-L742 HydrophobicContact CZ3-CB 4.44Å; W707-P743 HydrophobicContact CE3-CG 4.27Å; W707-Y744 AromaticContact CH2-CD1 3.79Å; W707-Y744 HydrophobicContact CH2-CD1 3.79Å; W707-Y744 AromaticContact CH2-CD2 3.69Å; W707-Y744 HydrophobicContact CH2-CD2 3.69Å; W707-Y744 AromaticContact CH2-CE1 3.77Å; W707-Y744 HydrophobicContact CH2-CE1 3.77Å; W707-Y744 AromaticContact CH2-CE2 3.71Å; W707-Y744 HydrophobicContact CH2-CE2 3.71Å; W707-Y744 AromaticContact CH2-CG 3.76Å; W707-Y744 HydrophobicContact CH2-CG 3.76Å; W707-Y744 AromaticContact CH2-CZ 3.75Å; W707-Y744 HydrophobicContact CZ2-CD2 4.4Å; W707-Y744 HydrophobicContact CZ2-CE1 4.21Å; W707-Y744 AromaticContact CZ2-CE2 3.98Å; W707-Y744 HydrophobicContact CZ2-CE2 3.98Å; W707-Y744 AromaticContact CZ2-CZ 3.86Å; W707-Y744 HydrophobicContact CZ3-CD2 4.41Å; W707-Y744 HydrophobicContact CZ3-CG 4.39Å; W707-S757 PolarHBondContact NE1-OG 3.36Å; W707-L758 CarbonylContact C-O 3.24Å; W707-L758 WeakPolarHBondContact CA-O 3.45Å; W707-L759 HydrophobicContact CB-CD2 4.05Å; W707-L759 HydrophobicContact CG-CD2 4.31Å
708	V	89.1	Confident	80.5	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	114.9	177.8	-174.7	0	0	0	0	108.4	I683 H684 M685 L706 S757 L758	I683-V708 HydrophobicContact CD1-CG1 4.42Å; H684-V708 CarbonylContact O-C 3.5Å; H684-V708 WeakPolarHBondContact O-CA 3.43Å; M685-V708 HydrophobicContact CG-CG1 4.26Å; M685-V708 HydrophobicContact CG-CG2 4.11Å; M685-V708 HydrophobicContact SD-CG2 4.5Å; L706-V708 HydrophobicContact CD2-CG2 4.01Å; L706-V708 HydrophobicContact CG-CG2 3.91Å; V708-S757 CarbonylContact O-C 3.48Å; V708-S757 WeakPolarHBondContact O-CA 3.41Å; V708-S757 WeakPolarHBondContact O-CB 3.42Å; V708-L758 HydrophobicContact CB-CB 4.42Å; V708-L758 PolarHBondContact N-O 3.25Å; V708-L758 PolarHBondContact O-N 3.27Å
709	Y	87.3	Confident	81.9	Confident	19 Å²	19	38.6 Å²	38.6	8%	0.075	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	119.7	175.9	67.5	-93	0	0	0	111.9	H684 W707 L711	H684-Y709 HydrophobicContact CB-CD1 3.97Å; H684-Y709 HydrophobicContact CB-CD2 3.85Å; H684-Y709 HydrophobicContact CB-CE1 3.65Å; H684-Y709 HydrophobicContact CB-CE2 3.46Å; H684-Y709 VanDerWaalsContact CB-CE2 3.46Å; H684-Y709 HydrophobicContact CB-CG 4.07Å; H684-Y709 AromaticContact CD2-CD1 3.83Å; H684-Y709 AromaticContact CD2-CE1 3.03Å; H684-Y709 WeakPolarHBondContact CD2-CE1 3.2Å; H684-Y709 AromaticContact CD2-CZ 3.29Å; H684-Y709 PolarHBondContact CD2-OH 3.03Å; H684-Y709 VanDerWaalsContact CD2-OH 3.28Å; H684-Y709 AromaticContact CG-CE1 3.47Å; H684-Y709 VanDerWaalsContact CG-CE1 3.47Å; H684-Y709 AromaticContact CG-CE2 3.87Å; H684-Y709 AromaticContact CG-CZ 3.23Å; H684-Y709 PolarHBondContact N-O 3.46Å; H684-Y709 PolarHBondContact O-N 3.22Å; W707-Y709 AromaticContact CD2-CD1 3.69Å; W707-Y709 HydrophobicContact CD2-CD1 3.69Å; W707-Y709 HydrophobicContact CD2-CE1 4.19Å; W707-Y709 AromaticContact CE2-CD1 3.64Å; W707-Y709 AromaticContact CE3-CD1 3.73Å; W707-Y709 HydrophobicContact CE3-CD1 3.73Å; W707-Y709 AromaticContact CE3-CE1 3.72Å; W707-Y709 HydrophobicContact CE3-CE1 3.72Å; W707-Y709 HydrophobicContact CG-CD1 4.44Å; W707-Y709 AromaticContact CH2-CD1 3.68Å; W707-Y709 HydrophobicContact CH2-CD1 3.68Å; W707-Y709 AromaticContact CH2-CE1 3.67Å; W707-Y709 HydrophobicContact CH2-CE1 3.67Å; W707-Y709 HydrophobicContact CH2-CG 4.39Å; W707-Y709 AromaticContact CZ2-CD1 3.65Å; W707-Y709 HydrophobicContact CZ2-CD1 3.65Å; W707-Y709 HydrophobicContact CZ2-CE1 4.15Å; W707-Y709 HydrophobicContact CZ2-CG 4.13Å; W707-Y709 AromaticContact CZ3-CD1 3.72Å; W707-Y709 HydrophobicContact CZ3-CD1 3.72Å; W707-Y709 AromaticContact CZ3-CE1 3.44Å; W707-Y709 HydrophobicContact CZ3-CE1 3.44Å; W707-Y709 VanDerWaalsContact CZ3-CE1 3.44Å; Y709-L711 HydrophobicContact CD2-CD2 4.05Å; Y709-L711 HydrophobicContact CE2-CD2 3.79Å
710	P	88	Confident	82.9	Confident	2 Å²	2	36 Å²	36	1%	0.013	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	144.3	177.9	-22.5	38.7	0	0	0	112.5	I683 G715 I716 L719	I683-P710 HydrophobicContact CG2-CB 4.19Å; I683-P710 HydrophobicContact CG2-CG 4.31Å; P710-G715 WeakPolarHBondContact CG-O 3.49Å; P710-I716 HydrophobicContact CG-CG2 4.42Å; P710-L719 HydrophobicContact CG-CD1 3.99Å; P710-L719 HydrophobicContact CG-CD2 3.82Å; P710-L719 HydrophobicContact CG-CG 4.29Å
711	L	87.2	Confident	83.7	Confident	38 Å²	38	34.5 Å²	34.5	20%	0.199	18%	0.175	C	C	.	.			trans	-90.9	-3.4	-179.1	-60.3	-178.9	0	0	0	113.8	R609 G611 R682 Y709 F752	R609-L711 CarbonylContact C-O 3.59Å; R609-L711 WeakPolarHBondContact CA-O 3.32Å; R609-L711 VanDerWaalsContact O-O 3.1Å; G611-L711 WeakPolarHBondContact CA-O 3.42Å; G611-L711 PolarHBondContact N-O 2.97Å; R682-L711 HydrophobicContact CB-CB 4.28Å; R682-L711 HydrophobicContact CB-CD1 4.02Å; R682-L711 HydrophobicContact CB-CG 4.44Å; R682-L711 PolarHBondContact O-N 3.41Å; Y709-L711 HydrophobicContact CD2-CD2 4.05Å; Y709-L711 HydrophobicContact CE2-CD2 3.79Å; L711-F752 HydrophobicContact CB-CE1 4.13Å; L711-F752 HydrophobicContact CD2-CD1 4.01Å; L711-F752 HydrophobicContact CD2-CE1 3.65Å; L711-F752 HydrophobicContact CD2-CZ 4.05Å
712	D	87.7	Confident	84.3	Confident	4 Å²	4	32.6 Å²	32.6	2%	0.021	16%	0.159	C	C	.	.	S	Bend	trans	-107.5	167.5	-173.3	72.8	93.7	0	0	0	113.5	L472 A608 F671 R681 R714 G715	L472-D712 HydrophobicContact CD1-CB 3.99Å; A608-D712 VanDerWaalsContact O-CA 3.31Å; A608-D712 WeakPolarHBondContact O-CA 3.47Å; A608-D712 WeakPolarHBondContact O-CB 3.41Å; F671-D712 HydrophobicContact CZ-CB 4.49Å; R681-D712 WeakPolarHBondContact CG-OD2 3.21Å; R681-D712 IonicContact CZ-OD1 3.48Å; R681-D712 IonicContact CZ-OD2 2.91Å; R681-D712 IonicContact NE-OD1 3.16Å; R681-D712 IonicContact NE-OD2 2.76Å; R681-D712 PolarHBondContact NE-OD2 2.88Å; R681-D712 IonicContact NH2-OD1 2.88Å; R681-D712 PolarHBondContact NH2-OD1 3.48Å; R681-D712 IonicContact NH2-OD2 3.93Å; R681-D712 PolarHBondContact NH2-OD2 2.95Å; D712-R714 PolarHBondContact O-N 3.07Å; D712-R714 VanDerWaalsContact O-N 3.14Å; D712-R714 WeakPolarHBondContact OD1-CA 3.31Å; D712-R714 WeakPolarHBondContact OD1-CB 3.39Å; D712-R714 WeakPolarHBondContact OD1-CG 3.48Å; D712-R714 PolarHBondContact OD1-N 2.88Å; D712-G715 PolarHBondContact O-N 3.3Å; D712-G715 VanDerWaalsContact O-N 3.16Å
713	M	87.5	Confident	84.6	Confident	29 Å²	29	33.2 Å²	33.2	14%	0.143	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-26.4	-177.3	-172.9	-173	160.1	0	0	113.5	Y471 L472 N615 A616 E617 G715	Y471-M713 HydrophobicContact CD1-CE 4.44Å; Y471-M713 HydrophobicContact CE1-CE 4.39Å; L472-M713 HydrophobicContact CD1-CB 4.48Å; N615-M713 HydrophobicContact CB-CE 3.93Å; N615-M713 HydrophobicContact CB-SD 4.45Å; N615-M713 WeakPolarHBondContact ND2-CE 3.21Å; N615-M713 WeakPolarHBondContact OD1-CE 3.33Å; A616-M713 HydrophobicContact CB-SD 4.16Å; A616-M713 PolarHBondContact N-SD 2.84Å; A616-M713 VanDerWaalsContact N-SD 3.38Å; E617-M713 HydrophobicContact CG-SD 4.35Å; M713-G715 PolarHBondContact O-N 2.87Å
714	R	87.2	Confident	84.5	Confident	31 Å²	31	32.5 Å²	32.5	12%	0.117	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-16.2	-176.8	-51.1	175.8	64.5	85	13.8	111.9	G469 Y471 L472 D712 K717 D718	G469-R714 PolarHBondContact O-NH1 2.6Å; Y471-R714 PolarHBondContact O-NH1 3.34Å; L472-R714 HydrophobicContact CD1-CG 4.18Å; D712-R714 PolarHBondContact O-N 3.07Å; D712-R714 VanDerWaalsContact O-N 3.14Å; D712-R714 WeakPolarHBondContact OD1-CA 3.31Å; D712-R714 WeakPolarHBondContact OD1-CB 3.39Å; D712-R714 WeakPolarHBondContact OD1-CG 3.48Å; D712-R714 PolarHBondContact OD1-N 2.88Å; R714-K717 VanDerWaalsContact O-CB 3.26Å; R714-K717 WeakPolarHBondContact O-CB 3.35Å; R714-K717 WeakPolarHBondContact O-CG 3.41Å; R714-K717 PolarHBondContact O-N 3.25Å; R714-D718 IonicContact CZ-OD1 3.57Å; R714-D718 IonicContact CZ-OD2 3.24Å; R714-D718 VanDerWaalsContact NE-CG 3.31Å; R714-D718 IonicContact NE-OD1 3.14Å; R714-D718 PolarHBondContact NE-OD1 2.66Å; R714-D718 IonicContact NE-OD2 3.95Å; R714-D718 PolarHBondContact NE-OD2 2.79Å; R714-D718 VanDerWaalsContact NH2-CG 3.25Å; R714-D718 IonicContact NH2-OD1 3.02Å; R714-D718 PolarHBondContact NH2-OD1 2.85Å; R714-D718 IonicContact NH2-OD2 2.74Å; R714-D718 PolarHBondContact NH2-OD2 2.6Å
715	G	85.4	Confident	84.3	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	-144	176.8	0	0	0	0	0	111.9	R681 P710 D712 M713 K717	R681-G715 PolarHBondContact NH2-O 3.06Å; P710-G715 WeakPolarHBondContact CG-O 3.49Å; D712-G715 PolarHBondContact O-N 3.3Å; D712-G715 VanDerWaalsContact O-N 3.16Å; M713-G715 PolarHBondContact O-N 2.87Å; G715-K717 PolarHBondContact O-N 3.19Å
716	I	85.7	Confident	84.1	Confident	45 Å²	45	38 Å²	38	23%	0.231	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-1.7	-179.4	57.1	174	0	0	0	114.8	P710 L719 P730 Q756 L758	P710-I716 HydrophobicContact CG-CG2 4.42Å; I716-L719 HydrophobicContact CB-CD1 4.13Å; I716-L719 HydrophobicContact CG2-CD1 4.16Å; I716-P730 HydrophobicContact CD1-CG 3.99Å; I716-Q756 WeakPolarHBondContact CG2-O 3.46Å; I716-L758 HydrophobicContact CB-CD2 4.3Å; I716-L758 HydrophobicContact CB-CG 4.26Å; I716-L758 HydrophobicContact CD1-CD2 4.04Å; I716-L758 HydrophobicContact CG2-CD1 4.41Å; I716-L758 HydrophobicContact CG2-CD2 4.09Å; I716-L758 HydrophobicContact CG2-CG 3.74Å
717	K	79.8	Confident	84	Confident	134 Å²	134	41.6 Å²	41.6	58%	0.583	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	145	175.8	-59.2	-179.5	179.3	179.2	0	109.5	R681 R714 G715 L719	R681-K717 PolarHBondContact NH1-O 3.31Å; R714-K717 VanDerWaalsContact O-CB 3.26Å; R714-K717 WeakPolarHBondContact O-CB 3.35Å; R714-K717 WeakPolarHBondContact O-CG 3.41Å; R714-K717 PolarHBondContact O-N 3.25Å; G715-K717 PolarHBondContact O-N 3.19Å; K717-L719 PolarHBondContact O-N 3.06Å
718	D	76	Confident	83.9	Confident	51 Å²	51	42.4 Å²	42.4	27%	0.273	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	27.3	172.7	58.3	-84.4	0	0	0	115.2	R681 R714 W858	R681-D718 PolarHBondContact NH1-O 2.79Å; R681-D718 IonicContact NH1-OD2 3.52Å; R681-D718 PolarHBondContact NH1-OD2 3.31Å; R714-D718 IonicContact CZ-OD1 3.57Å; R714-D718 IonicContact CZ-OD2 3.24Å; R714-D718 VanDerWaalsContact NE-CG 3.31Å; R714-D718 IonicContact NE-OD1 3.14Å; R714-D718 PolarHBondContact NE-OD1 2.66Å; R714-D718 IonicContact NE-OD2 3.95Å; R714-D718 PolarHBondContact NE-OD2 2.79Å; R714-D718 VanDerWaalsContact NH2-CG 3.25Å; R714-D718 IonicContact NH2-OD1 3.02Å; R714-D718 PolarHBondContact NH2-OD1 2.85Å; R714-D718 IonicContact NH2-OD2 2.74Å; R714-D718 PolarHBondContact NH2-OD2 2.6Å; D718-W858 HydrophobicContact CB-CZ2 4.02Å; D718-W858 PolarHBondContact O-NE1 2.86Å; D718-W858 WeakPolarHBondContact OD2-CZ2 3.43Å
719	L	80.7	Confident	83.9	Confident	18 Å²	18	46.7 Å²	46.7	9%	0.094	24%	0.236	C	C	.	.			trans	-62.9	146.5	167.7	-72.6	177.3	0	0	0	110.1	I683 P710 I716 K717 I725 L758	I683-L719 HydrophobicContact CG2-CD2 3.87Å; P710-L719 HydrophobicContact CG-CD1 3.99Å; P710-L719 HydrophobicContact CG-CD2 3.82Å; P710-L719 HydrophobicContact CG-CG 4.29Å; I716-L719 HydrophobicContact CB-CD1 4.13Å; I716-L719 HydrophobicContact CG2-CD1 4.16Å; K717-L719 PolarHBondContact O-N 3.06Å; L719-I725 HydrophobicContact CB-CG2 3.93Å; L719-I725 HydrophobicContact CD1-CG2 4.04Å; L719-L758 HydrophobicContact CD1-CD1 3.69Å; L719-L758 HydrophobicContact CD1-CG 4.46Å
720	P	72.6	Confident	84.1	Confident	4 Å²	4	48.9 Å²	48.9	3%	0.026	25%	0.253	C	S	.	.			trans	-69.4	150.9	-174.6	20.9	-25	0	0	0	112.6	Y722 K859 L862	P720-Y722 HydrophobicContact CB-CD2 3.91Å; P720-Y722 HydrophobicContact CB-CE2 3.75Å; P720-Y722 HydrophobicContact CG-CD2 3.85Å; P720-Y722 HydrophobicContact CG-CE2 3.73Å; P720-Y722 PolarHBondContact O-N 3.4Å; P720-K859 HydrophobicContact CB-CG 4.22Å; P720-L862 HydrophobicContact CB-CD1 4.47Å; P720-L862 HydrophobicContact CG-CD1 3.14Å; P720-L862 HydrophobicContact CG-CD2 4.14Å; P720-L862 HydrophobicContact CG-CG 3.74Å
721	N	76.4	Confident	84.1	Confident	108 Å²	108	49.4 Å²	49.4	58%	0.578	26%	0.256	S	S	*	.			trans	-75.5	72.4	-179.4	-66.2	-25.5	0	0	0	111.4	K859	N721-K859 VanDerWaalsContact O-CE 3.3Å; N721-K859 WeakPolarHBondContact O-CE 3.44Å; N721-K859 PolarHBondContact O-NZ 3.09Å
722	Y	83.1	Confident	83.9	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.288	C	S	.	.			trans	-96	142	158.7	-65.8	-74.7	0	0	0	108.4	P720 E724 I725 K726 L840 K843 I844 D847 K859 L862	P720-Y722 HydrophobicContact CB-CD2 3.91Å; P720-Y722 HydrophobicContact CB-CE2 3.75Å; P720-Y722 HydrophobicContact CG-CD2 3.85Å; P720-Y722 HydrophobicContact CG-CE2 3.73Å; P720-Y722 PolarHBondContact O-N 3.4Å; Y722-E724 PolarHBondContact O-N 3.43Å; Y722-I725 HydrophobicContact CD2-CD1 3.93Å; Y722-I725 PolarHBondContact O-N 3.14Å; Y722-K726 VanDerWaalsContact O-CB 3.24Å; Y722-K726 WeakPolarHBondContact O-CB 3.41Å; Y722-K726 PolarHBondContact O-N 2.89Å; Y722-L840 HydrophobicContact CD1-CD1 4.02Å; Y722-L840 HydrophobicContact CG-CD1 3.98Å; Y722-K843 HydrophobicContact CD1-CD 4Å; Y722-K843 HydrophobicContact CD1-CG 4.39Å; Y722-K843 HydrophobicContact CE1-CD 4.12Å; Y722-K843 HydrophobicContact CE1-CG 4.01Å; Y722-I844 HydrophobicContact CD1-CG1 4.45Å; Y722-I844 HydrophobicContact CD2-CD1 4.47Å; Y722-I844 HydrophobicContact CD2-CG1 4.2Å; Y722-I844 HydrophobicContact CE1-CG1 3.94Å; Y722-I844 HydrophobicContact CE2-CD1 4.25Å; Y722-I844 HydrophobicContact CE2-CG1 3.64Å; Y722-I844 VanDerWaalsContact CZ-CG1 3.5Å; Y722-D847 WeakPolarHBondContact CE1-OD2 3.49Å; Y722-D847 PolarHBondContact OH-OD2 3.21Å; Y722-K859 HydrophobicContact CE1-CD 4.48Å; Y722-K859 PolarHBondContact OH-O 2.71Å; Y722-L862 HydrophobicContact CE2-CD1 4.37Å
723	D	83.8	Confident	83.6	Confident	110 Å²	110	55.7 Å²	55.7	59%	0.588	30%	0.303	S	S	*	.	H	α-helix	trans	-61.6	-36.7	-172.8	-60.8	-50.4	0	0	0	111.2	S727 K843	D723-S727 VanDerWaalsContact O-CB 3.3Å; D723-S727 WeakPolarHBondContact O-CB 3.31Å; D723-S727 PolarHBondContact O-N 3.19Å; D723-S727 PolarHBondContact O-OG 3.32Å; D723-K843 IonicContact OD2-NZ 2.76Å
724	E	82	Confident	83	Confident	46 Å²	46	58.4 Å²	58.4	22%	0.215	32%	0.318	C	S	.	.	H	α-helix	trans	-65.9	-36.9	175.6	-56.3	83.5	171.2	0	0	112	L706 Y722 S727 T760 L840	L706-E724 HydrophobicContact CD2-CB 4.17Å; Y722-E724 PolarHBondContact O-N 3.43Å; E724-S727 PolarHBondContact O-OG 2.91Å; E724-T760 VanDerWaalsContact O-CB 3.27Å; E724-T760 WeakPolarHBondContact O-CB 3.29Å; E724-T760 WeakPolarHBondContact O-CG2 3.48Å; E724-T760 PolarHBondContact O-OG1 3.07Å; E724-L840 HydrophobicContact CB-CD2 3.99Å; E724-L840 HydrophobicContact CG-CD2 4.25Å
725	I	83.7	Confident	82.2	Confident	5 Å²	5	63 Å²	63	3%	0.026	35%	0.352	C	S	.	.	H	α-helix	trans	-80.1	-41.4	177.7	-59.2	-177.6	0	0	0	110.2	I683 M685 L719 Y722 S727 G728 L758	I683-I725 HydrophobicContact CD1-CD1 4.33Å; M685-I725 HydrophobicContact CE-CD1 3.73Å; M685-I725 HydrophobicContact CE-CG1 4.32Å; L719-I725 HydrophobicContact CB-CG2 3.93Å; L719-I725 HydrophobicContact CD1-CG2 4.04Å; Y722-I725 HydrophobicContact CD2-CD1 3.93Å; Y722-I725 PolarHBondContact O-N 3.14Å; I725-S727 VanDerWaalsContact C-N 3.32Å; I725-S727 PolarHBondContact O-N 2.96Å; I725-G728 PolarHBondContact O-N 3.08Å; I725-G728 VanDerWaalsContact O-N 3.1Å; I725-L758 HydrophobicContact CG2-CD1 3.85Å
726	K	83.3	Confident	81.3	Confident	155 Å²	155	68.5 Å²	68.5	67%	0.674	38%	0.378	S	S	*	.	H	α-helix	trans	-67.1	-32.2	-176.1	-174.4	-177.7	176.3	-170.6	0	112.7	Y722	Y722-K726 VanDerWaalsContact O-CB 3.24Å; Y722-K726 WeakPolarHBondContact O-CB 3.41Å; Y722-K726 PolarHBondContact O-N 2.89Å
727	S	87	Confident	80.5	Confident	75 Å²	75	66.8 Å²	66.8	52%	0.524	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-9.3	175.8	53.5	0	0	0	0	113.4	D723 E724 I725 T760	D723-S727 VanDerWaalsContact O-CB 3.3Å; D723-S727 WeakPolarHBondContact O-CB 3.31Å; D723-S727 PolarHBondContact O-N 3.19Å; D723-S727 PolarHBondContact O-OG 3.32Å; E724-S727 PolarHBondContact O-OG 2.91Å; I725-S727 VanDerWaalsContact C-N 3.32Å; I725-S727 PolarHBondContact O-N 2.96Å; S727-T760 WeakPolarHBondContact OG-CG2 3.49Å
728	G	88	Confident	80.1	Confident	16 Å²	16	60.4 Å²	60.4	17%	0.165	34%	0.342	C	S	.	.			trans	-72	147.7	-179.9	0	0	0	0	0	113.1	I725 L759 T760	I725-G728 PolarHBondContact O-N 3.08Å; I725-G728 VanDerWaalsContact O-N 3.1Å; G728-L759 CarbonylContact C-O 3.46Å; G728-L759 VanDerWaalsContact CA-O 3.24Å; G728-L759 WeakPolarHBondContact CA-O 3.24Å; G728-T760 WeakPolarHBondContact CA-OG1 3.24Å; G728-T760 PolarHBondContact N-OG1 3.05Å
729	H	90.6	Very high	80.1	Confident	91 Å²	91	59 Å²	59	42%	0.421	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-124.6	152.8	174.1	58.4	74	0	0	0	110.4	W705 L759	W705-H729 AromaticContact CH2-NE2 3.94Å; W705-H729 AromaticContact CZ3-NE2 3.74Å; H729-L759 PolarHBondContact N-O 2.91Å; H729-L759 PolarHBondContact O-N 2.78Å
730	P	89.6	Confident	80.2	Confident	65 Å²	65	59.3 Å²	59.3	42%	0.422	34%	0.337	S	S	.	.			trans	-54.5	141.9	171.4	-25.8	35.1	0	0	0	111.8	I716 S757	I716-P730 HydrophobicContact CD1-CG 3.99Å; P730-S757 WeakPolarHBondContact CA-O 3.35Å
731	P	88.2	Confident	80.5	Confident	12 Å²	12	61 Å²	61	8%	0.078	35%	0.346	C	S	.	.			trans	-63.3	138.1	174.5	25.4	-33.6	0	0	0	111	C733 L742 A754 S757 L759	P731-C733 PolarHBondContact O-N 3.09Å; P731-L742 HydrophobicContact CB-CD1 4.11Å; P731-L742 HydrophobicContact CG-CD1 3.9Å; P731-A754 WeakPolarHBondContact CD-O 3.44Å; P731-A754 HydrophobicContact CG-CB 3.74Å; P731-A754 WeakPolarHBondContact CG-O 3.41Å; P731-S757 WeakPolarHBondContact CD-O 3.3Å; P731-L759 HydrophobicContact CB-CD1 3.62Å; P731-L759 HydrophobicContact CB-CG 4.27Å
732	S	84.3	Confident	80.8	Confident	124 Å²	124	55.9 Å²	55.9	87%	0.867	32%	0.318	S	S	*	.			trans	-80.3	104.9	169.3	-178.5	0	0	0	0	108.9
733	C	79.6	Confident	80.7	Confident	50 Å²	50	56 Å²	56	34%	0.338	32%	0.319	S	S	.	.			trans	-87.1	124	179.1	-65.6	0	0	0	0	111.6	P731 C740 A754	P731-C733 PolarHBondContact O-N 3.09Å; C733-C740 HydrophobicContact CB-CB 3.82Å; C733-C740 WeakPolarHBondContact CB-SG 3.49Å; C733-C740 WeakPolarHBondContact SG-CB 3.11Å; C733-C740 CovalentContact SG-SG 2.03Å; C733-C740 PolarHBondContact SG-SG 3.5Å; C733-A754 VanDerWaalsContact SG-CB 3.57Å
734	D	76.4	Confident	80.4	Confident	87 Å²	87	50.9 Å²	50.9	47%	0.465	29%	0.292	S	S	.	.			trans	-75.1	130.1	164.3	-169.9	-35.4	0	0	0	109.2	E736 S737	D734-E736 PolarHBondContact O-N 2.86Å; D734-E736 VanDerWaalsContact O-N 3.13Å; D734-E736 PolarHBondContact OD1-N 3.25Å; D734-S737 WeakPolarHBondContact O-CB 2.93Å; D734-S737 PolarHBondContact O-N 2.62Å; D734-S737 PolarHBondContact O-OG 2.99Å
735	P	70.7	Confident	79.8	Confident	128 Å²	128	49.9 Å²	49.9	83%	0.831	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-29.2	175.5	-26.2	34.1	0	0	0	114.8
736	E	66.5	Low	79.2	Confident	114 Å²	114	51.6 Å²	51.6	53%	0.533	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-17.7	179.1	-61	-174.5	160.2	0	0	112.3	D734 F796	D734-E736 PolarHBondContact O-N 2.86Å; D734-E736 VanDerWaalsContact O-N 3.13Å; D734-E736 PolarHBondContact OD1-N 3.25Å; E736-F796 VanDerWaalsContact OE2-CE1 3.27Å; E736-F796 WeakPolarHBondContact OE2-CE1 3.43Å
737	S	68.7	Low	78.6	Confident	10 Å²	10	44.4 Å²	44.4	7%	0.07	26%	0.264	C	S	.	.	S	Bend	trans	-73.1	133.3	178.3	70.9	0	0	0	0	112.3	D734 C740 Y880	D734-S737 WeakPolarHBondContact O-CB 2.93Å; D734-S737 PolarHBondContact O-N 2.62Å; D734-S737 PolarHBondContact O-OG 2.99Å; S737-C740 VanDerWaalsContact OG-CA 3.31Å; S737-C740 WeakPolarHBondContact OG-CA 3.24Å; S737-Y880 WeakPolarHBondContact CA-OH 3.49Å; S737-Y880 WeakPolarHBondContact CB-OH 3.23Å
738	T	70.9	Confident	78.1	Confident	0 Å²	0	42 Å²	42	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-81.1	130.3	168.6	-72	0	0	0	0	108.7	C740 D741 F792 T794 K819 Q878	T738-C740 PolarHBondContact O-N 3.13Å; T738-D741 PolarHBondContact O-N 3.29Å; T738-F792 HydrophobicContact CG2-CB 4.45Å; T738-F792 HydrophobicContact CG2-CD1 4.13Å; T738-T794 WeakPolarHBondContact CB-OG1 3.37Å; T738-T794 WeakPolarHBondContact OG1-CG2 3.08Å; T738-T794 PolarHBondContact OG1-OG1 3.46Å; T738-K819 HydrophobicContact CG2-CB 4.19Å; T738-K819 HydrophobicContact CG2-CD 3.7Å; T738-K819 HydrophobicContact CG2-CG 4.05Å; T738-K819 WeakPolarHBondContact OG1-CD 3.47Å; T738-K819 WeakPolarHBondContact OG1-CE 3.18Å; T738-K819 PolarHBondContact OG1-NZ 3.39Å; T738-Q878 PolarHBondContact O-NE2 3.42Å; T738-Q878 PolarHBondContact O-OE1 3.34Å
739	Y	76.2	Confident	77.6	Confident	20 Å²	20	42.7 Å²	42.7	8%	0.078	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	55	23.2	-177.3	-61.8	-92.3	0	0	0	115.6	N160 D741 L742 Y744 P747 S749 F792 V821	N160-Y739 PolarHBondContact ND2-OH 3.31Å; Y739-D741 PolarHBondContact O-N 3.44Å; Y739-L742 WeakPolarHBondContact O-CB 3.34Å; Y739-L742 PolarHBondContact O-N 3.28Å; Y739-L742 VanDerWaalsContact O-N 3.08Å; Y739-Y744 HydrophobicContact CD1-CD1 4.19Å; Y739-Y744 AromaticContact CD1-CD2 3.52Å; Y739-Y744 HydrophobicContact CD1-CD2 3.52Å; Y739-Y744 HydrophobicContact CD1-CE1 4.49Å; Y739-Y744 AromaticContact CD1-CE2 3.83Å; Y739-Y744 HydrophobicContact CD1-CE2 3.83Å; Y739-Y744 AromaticContact CD1-CG 3.68Å; Y739-Y744 HydrophobicContact CD1-CG 3.68Å; Y739-Y744 HydrophobicContact CE1-CG 4.45Å; Y739-Y744 AromaticContact CG-CD2 3.93Å; Y739-Y744 HydrophobicContact CG-CD2 3.93Å; Y739-Y744 HydrophobicContact CG-CE2 4.28Å; Y739-Y744 HydrophobicContact CG-CG 4.43Å; Y739-Y744 WeakPolarHBondContact O-CE2 3.49Å; Y739-P747 HydrophobicContact CE1-CB 4.16Å; Y739-P747 VanDerWaalsContact OH-CB 3.27Å; Y739-P747 WeakPolarHBondContact OH-CB 3.18Å; Y739-S749 WeakPolarHBondContact CD1-OG 3.27Å; Y739-S749 VanDerWaalsContact CE1-CB 3.41Å; Y739-S749 WeakPolarHBondContact CE1-OG 3.46Å; Y739-F792 AromaticContact CD2-CD1 3.39Å; Y739-F792 HydrophobicContact CD2-CD1 3.39Å; Y739-F792 AromaticContact CD2-CE1 3.28Å; Y739-F792 HydrophobicContact CD2-CE1 3.28Å; Y739-F792 HydrophobicContact CD2-CG 4.32Å; Y739-F792 HydrophobicContact CD2-CZ 4.15Å; Y739-F792 HydrophobicContact CE1-CE1 4.41Å; Y739-F792 AromaticContact CE2-CD1 3.44Å; Y739-F792 HydrophobicContact CE2-CD1 3.44Å; Y739-F792 VanDerWaalsContact CE2-CD1 3.44Å; Y739-F792 AromaticContact CE2-CE1 3.18Å; Y739-F792 HydrophobicContact CE2-CE1 3.18Å; Y739-F792 HydrophobicContact CE2-CZ 4.29Å; Y739-F792 HydrophobicContact CG-CD1 4.44Å; Y739-F792 HydrophobicContact CG-CE1 4.07Å; Y739-F792 AromaticContact CZ-CE1 3.83Å; Y739-V821 HydrophobicContact CE2-CG2 4.45Å
740	C	81.8	Confident	77	Confident	25 Å²	25	46.3 Å²	46.3	17%	0.169	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	56.8	28.9	-179.7	-57	0	0	0	0	115.3	C733 S737 T738 L742 A754	C733-C740 HydrophobicContact CB-CB 3.82Å; C733-C740 WeakPolarHBondContact CB-SG 3.49Å; C733-C740 WeakPolarHBondContact SG-CB 3.11Å; C733-C740 CovalentContact SG-SG 2.03Å; C733-C740 PolarHBondContact SG-SG 3.5Å; S737-C740 VanDerWaalsContact OG-CA 3.31Å; S737-C740 WeakPolarHBondContact OG-CA 3.24Å; T738-C740 PolarHBondContact O-N 3.13Å; C740-L742 HydrophobicContact CB-CD1 4.17Å; C740-L742 HydrophobicContact CB-CG 4.39Å; C740-L742 PolarHBondContact O-N 3.48Å; C740-A754 HydrophobicContact CB-CB 3.58Å; C740-A754 WeakPolarHBondContact SG-CB 3.49Å
741	D	78.7	Confident	76.5	Confident	40 Å²	40	45.6 Å²	45.6	21%	0.214	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	57.2	29.6	-173.5	-55	-47.6	0	0	0	114.6	T738 Y739 W876 Q878 Y880	T738-D741 PolarHBondContact O-N 3.29Å; Y739-D741 PolarHBondContact O-N 3.44Å; D741-W876 VanDerWaalsContact C-CH2 3.46Å; D741-W876 HydrophobicContact CB-CH2 3.85Å; D741-Q878 PolarHBondContact OD1-NE2 3.28Å; D741-Q878 PolarHBondContact OD1-OE1 2.81Å; D741-Q878 VanDerWaalsContact OD1-OE1 3.08Å; D741-Y880 WeakPolarHBondContact OD1-CE2 2.83Å; D741-Y880 PolarHBondContact OD1-OH 3.21Å
742	L	84	Confident	76.3	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	25%	0.253	C	S	.	.			trans	-102.8	144.6	179.6	-66.3	168.1	0	0	0	112	F688 W707 P731 Y739 C740 Y744 A754 L759 W876	F688-L742 HydrophobicContact CZ-CD2 4.29Å; W707-L742 HydrophobicContact CD2-CD2 4.36Å; W707-L742 HydrophobicContact CG-CD2 4.36Å; W707-L742 HydrophobicContact CH2-CB 4.21Å; W707-L742 HydrophobicContact CZ2-CB 4.13Å; W707-L742 HydrophobicContact CZ2-CD1 3.81Å; W707-L742 HydrophobicContact CZ2-CG 4.5Å; W707-L742 HydrophobicContact CZ3-CB 4.44Å; P731-L742 HydrophobicContact CB-CD1 4.11Å; P731-L742 HydrophobicContact CG-CD1 3.9Å; Y739-L742 WeakPolarHBondContact O-CB 3.34Å; Y739-L742 PolarHBondContact O-N 3.28Å; Y739-L742 VanDerWaalsContact O-N 3.08Å; C740-L742 HydrophobicContact CB-CD1 4.17Å; C740-L742 HydrophobicContact CB-CG 4.39Å; C740-L742 PolarHBondContact O-N 3.48Å; L742-Y744 HydrophobicContact CB-CD2 4.01Å; L742-Y744 HydrophobicContact CB-CE2 3.91Å; L742-Y744 HydrophobicContact CD1-CE2 4.41Å; L742-Y744 WeakPolarHBondContact O-CD2 3.38Å; L742-Y744 PolarHBondContact O-N 3.35Å; L742-A754 HydrophobicContact CD1-CB 3.39Å; L742-L759 HydrophobicContact CD2-CD1 4.04Å; L742-L759 HydrophobicContact CD2-CD2 3.88Å; L742-L759 HydrophobicContact CD2-CG 4.21Å; L742-W876 PolarHBondContact O-NE1 3.33Å; L742-W876 VanDerWaalsContact O-NE1 3.13Å
743	P	79.6	Confident	76.4	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.019	22%	0.222	C	C	.	.			trans	-79.5	60.5	-174.9	34.6	-38.3	0	0	0	113.6	Q686 F688 W707 Y745 Y874 W876	Q686-P743 HydrophobicContact CG-CG 4.46Å; Q686-P743 PolarHBondContact NE2-O 2.92Å; Q686-P743 PolarHBondContact OE1-O 3.06Å; F688-P743 HydrophobicContact CB-CG 4.15Å; F688-P743 HydrophobicContact CD1-CG 3.8Å; F688-P743 HydrophobicContact CD2-CG 3.85Å; F688-P743 HydrophobicContact CE1-CG 4.12Å; F688-P743 HydrophobicContact CE2-CG 4.13Å; F688-P743 HydrophobicContact CG-CG 3.66Å; F688-P743 HydrophobicContact CZ-CG 4.27Å; W707-P743 HydrophobicContact CE3-CG 4.27Å; P743-Y745 PolarHBondContact O-N 3.23Å; P743-Y745 VanDerWaalsContact O-N 3.07Å; P743-Y874 HydrophobicContact CB-CE1 3.87Å; P743-W876 VanDerWaalsContact CA-CD1 3.48Å; P743-W876 HydrophobicContact CB-CB 3.94Å; P743-W876 HydrophobicContact CB-CG 3.94Å
744	Y	77.7	Confident	76.8	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.008	21%	0.207	C	C	.	.			trans	-55.8	114.5	177	-80.8	-98.5	0	0	0	111.6	W707 Y739 L742 I746 V748 F752 A754 Y874	W707-Y744 AromaticContact CH2-CD1 3.79Å; W707-Y744 HydrophobicContact CH2-CD1 3.79Å; W707-Y744 AromaticContact CH2-CD2 3.69Å; W707-Y744 HydrophobicContact CH2-CD2 3.69Å; W707-Y744 AromaticContact CH2-CE1 3.77Å; W707-Y744 HydrophobicContact CH2-CE1 3.77Å; W707-Y744 AromaticContact CH2-CE2 3.71Å; W707-Y744 HydrophobicContact CH2-CE2 3.71Å; W707-Y744 AromaticContact CH2-CG 3.76Å; W707-Y744 HydrophobicContact CH2-CG 3.76Å; W707-Y744 AromaticContact CH2-CZ 3.75Å; W707-Y744 HydrophobicContact CZ2-CD2 4.4Å; W707-Y744 HydrophobicContact CZ2-CE1 4.21Å; W707-Y744 AromaticContact CZ2-CE2 3.98Å; W707-Y744 HydrophobicContact CZ2-CE2 3.98Å; W707-Y744 AromaticContact CZ2-CZ 3.86Å; W707-Y744 HydrophobicContact CZ3-CD2 4.41Å; W707-Y744 HydrophobicContact CZ3-CG 4.39Å; Y739-Y744 HydrophobicContact CD1-CD1 4.19Å; Y739-Y744 AromaticContact CD1-CD2 3.52Å; Y739-Y744 HydrophobicContact CD1-CD2 3.52Å; Y739-Y744 HydrophobicContact CD1-CE1 4.49Å; Y739-Y744 AromaticContact CD1-CE2 3.83Å; Y739-Y744 HydrophobicContact CD1-CE2 3.83Å; Y739-Y744 AromaticContact CD1-CG 3.68Å; Y739-Y744 HydrophobicContact CD1-CG 3.68Å; Y739-Y744 HydrophobicContact CE1-CG 4.45Å; Y739-Y744 AromaticContact CG-CD2 3.93Å; Y739-Y744 HydrophobicContact CG-CD2 3.93Å; Y739-Y744 HydrophobicContact CG-CE2 4.28Å; Y739-Y744 HydrophobicContact CG-CG 4.43Å; Y739-Y744 WeakPolarHBondContact O-CE2 3.49Å; L742-Y744 HydrophobicContact CB-CD2 4.01Å; L742-Y744 HydrophobicContact CB-CE2 3.91Å; L742-Y744 HydrophobicContact CD1-CE2 4.41Å; L742-Y744 WeakPolarHBondContact O-CD2 3.38Å; L742-Y744 PolarHBondContact O-N 3.35Å; Y744-I746 VanDerWaalsContact C-N 3.27Å; Y744-I746 PolarHBondContact O-N 3.21Å; Y744-V748 HydrophobicContact CD1-CG2 4.16Å; Y744-V748 HydrophobicContact CE1-CG2 4.49Å; Y744-F752 VanDerWaalsContact CE1-O 3.32Å; Y744-F752 WeakPolarHBondContact CE1-O 3.31Å; Y744-F752 PolarHBondContact OH-O 3.2Å; Y744-A754 PolarHBondContact OH-N 2.53Å; Y744-A754 VanDerWaalsContact OH-N 3.08Å; Y744-Y874 PolarHBondContact O-OH 2.66Å
745	Y	70.9	Confident	77.3	Confident	24 Å²	24	39 Å²	39	9%	0.094	21%	0.208	C	C	.	.	S	Bend	trans	-57.7	-40	178.1	177.4	-112	0	0	0	112.7	N239 P743 H788 W867 Y874	N239-Y745 PolarHBondContact OD1-OH 2.97Å; P743-Y745 PolarHBondContact O-N 3.23Å; P743-Y745 VanDerWaalsContact O-N 3.07Å; Y745-H788 AromaticContact CE2-CE1 3.72Å; Y745-H788 AromaticContact CE2-NE2 3.52Å; Y745-W867 VanDerWaalsContact CB-CZ2 3.45Å; Y745-W867 AromaticContact CD1-CH2 3.76Å; Y745-W867 HydrophobicContact CD1-CH2 3.76Å; Y745-W867 HydrophobicContact CD1-CZ2 4.1Å; Y745-W867 HydrophobicContact CD2-CH2 4.47Å; Y745-W867 HydrophobicContact CD2-CZ2 4.16Å; Y745-W867 HydrophobicContact CE1-CH2 4.41Å; Y745-W867 AromaticContact CG-CH2 3.81Å; Y745-W867 HydrophobicContact CG-CH2 3.81Å; Y745-W867 AromaticContact CG-CZ2 3.65Å; Y745-W867 HydrophobicContact CG-CZ2 3.65Å; Y745-Y874 HydrophobicContact CD2-CD2 4.3Å; Y745-Y874 AromaticContact CD2-CE2 4Å; Y745-Y874 HydrophobicContact CD2-CE2 4Å
746	I	70.4	Confident	78.1	Confident	42 Å²	42	36.2 Å²	36.2	22%	0.215	18%	0.184	C	C	.	.	S	Bend	trans	-130.1	144.8	173.8	-61.8	162.5	0	0	0	107.2	L159 I240 Y744 V748	L159-I746 HydrophobicContact CD1-CG2 3.23Å; I240-I746 HydrophobicContact CD1-CD1 4.06Å; Y744-I746 VanDerWaalsContact C-N 3.27Å; Y744-I746 PolarHBondContact O-N 3.21Å; I746-V748 VanDerWaalsContact C-N 3.28Å; I746-V748 HydrophobicContact CB-CG1 4.32Å; I746-V748 HydrophobicContact CG2-CG1 3.91Å; I746-V748 PolarHBondContact O-N 3.3Å
747	P	71.5	Confident	79.2	Confident	4 Å²	4	30.8 Å²	30.8	3%	0.026	16%	0.159	C	C	.	.	S	Bend	trans	-71	73.3	-175.7	29.2	-37.9	0	0	0	113.6	N160 F162 Y739 V821	N160-P747 HydrophobicContact CB-CB 4.23Å; N160-P747 PolarHBondContact ND2-O 3.24Å; F162-P747 HydrophobicContact CB-CG 4.25Å; F162-P747 HydrophobicContact CD1-CG 3.56Å; F162-P747 HydrophobicContact CE1-CG 3.95Å; F162-P747 HydrophobicContact CG-CG 3.91Å; Y739-P747 HydrophobicContact CE1-CB 4.16Å; Y739-P747 VanDerWaalsContact OH-CB 3.27Å; Y739-P747 WeakPolarHBondContact OH-CB 3.18Å; P747-V821 HydrophobicContact CB-CG1 4.48Å; P747-V821 HydrophobicContact CB-CG2 4.06Å; P747-V821 HydrophobicContact CG-CG1 4.44Å
748	V	75.6	Confident	80.4	Confident	24 Å²	24	31.1 Å²	31.1	15%	0.145	16%	0.159	C	C	.	.			trans	-113.7	18.1	-175	-61.7	0	0	0	0	114.8	L159 Y744 I746 R750 N751 F752	L159-V748 HydrophobicContact CD1-CG1 3.73Å; L159-V748 HydrophobicContact CD2-CG1 3.94Å; L159-V748 HydrophobicContact CG-CG1 4.26Å; Y744-V748 HydrophobicContact CD1-CG2 4.16Å; Y744-V748 HydrophobicContact CE1-CG2 4.49Å; I746-V748 VanDerWaalsContact C-N 3.28Å; I746-V748 HydrophobicContact CB-CG1 4.32Å; I746-V748 HydrophobicContact CG2-CG1 3.91Å; I746-V748 PolarHBondContact O-N 3.3Å; V748-R750 PolarHBondContact O-N 3.02Å; V748-N751 PolarHBondContact O-N 2.99Å; V748-F752 HydrophobicContact CB-CD2 3.79Å; V748-F752 HydrophobicContact CB-CE2 4.23Å; V748-F752 HydrophobicContact CG2-CD2 3.54Å; V748-F752 HydrophobicContact CG2-CE2 4.17Å; V748-F752 HydrophobicContact CG2-CG 4.42Å; V748-F752 PolarHBondContact O-N 3.05Å
749	S	76.9	Confident	81.3	Confident	30 Å²	30	31.5 Å²	31.5	21%	0.21	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-23.5	-176.4	54.2	0	0	0	0	115.9	Y739 N751 F752 P753	Y739-S749 WeakPolarHBondContact CD1-OG 3.27Å; Y739-S749 VanDerWaalsContact CE1-CB 3.41Å; Y739-S749 WeakPolarHBondContact CE1-OG 3.46Å; S749-N751 VanDerWaalsContact C-N 3.3Å; S749-N751 PolarHBondContact O-N 2.88Å; S749-F752 CarbonylContact O-C 3.53Å; S749-P753 WeakPolarHBondContact O-CA 3.07Å
750	R	79.1	Confident	82.1	Confident	167 Å²	167	30.8 Å²	30.8	63%	0.63	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-35.9	175.5	-72.9	-172.8	-176.9	167.4	9.7	112.1	N160 V748	N160-R750 WeakPolarHBondContact OD1-CD 3.15Å; N160-R750 WeakPolarHBondContact OD1-CG 3.26Å; N160-R750 PolarHBondContact OD1-NE 2.88Å; V748-R750 PolarHBondContact O-N 3.02Å
751	N	79.2	Confident	82.4	Confident	51 Å²	51	37.1 Å²	37.1	27%	0.273	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-32	-178.5	-65.8	39.7	0	0	0	111	P612 V748 S749 P753	P612-N751 WeakPolarHBondContact CD-O 3.34Å; V748-N751 PolarHBondContact O-N 2.99Å; S749-N751 VanDerWaalsContact C-N 3.3Å; S749-N751 PolarHBondContact O-N 2.88Å; N751-P753 WeakPolarHBondContact O-CD 3.49Å
752	F	84.6	Confident	82.8	Confident	29 Å²	29	36.4 Å²	36.4	13%	0.127	18%	0.18	C	C	.	.	S	Bend	trans	-124	72.9	-178.6	-51.9	-84.4	0	0	0	110.3	L711 Y744 V748 S749	L711-F752 HydrophobicContact CB-CE1 4.13Å; L711-F752 HydrophobicContact CD2-CD1 4.01Å; L711-F752 HydrophobicContact CD2-CE1 3.65Å; L711-F752 HydrophobicContact CD2-CZ 4.05Å; Y744-F752 VanDerWaalsContact CE1-O 3.32Å; Y744-F752 WeakPolarHBondContact CE1-O 3.31Å; Y744-F752 PolarHBondContact OH-O 3.2Å; V748-F752 HydrophobicContact CB-CD2 3.79Å; V748-F752 HydrophobicContact CB-CE2 4.23Å; V748-F752 HydrophobicContact CG2-CD2 3.54Å; V748-F752 HydrophobicContact CG2-CE2 4.17Å; V748-F752 HydrophobicContact CG2-CG 4.42Å; V748-F752 PolarHBondContact O-N 3.05Å; S749-F752 CarbonylContact O-C 3.53Å
753	P	86.1	Confident	82.8	Confident	33 Å²	33	42.2 Å²	42.2	21%	0.214	21%	0.207	C	C	.	.			trans	-66.5	143.1	-179	28	-35.8	0	0	0	110.8	V613 S749 N751 S755 Q756	V613-P753 HydrophobicContact CG2-CG 3.61Å; S749-P753 WeakPolarHBondContact O-CA 3.07Å; N751-P753 WeakPolarHBondContact O-CD 3.49Å; P753-S755 PolarHBondContact O-N 3.3Å; P753-S755 VanDerWaalsContact O-N 3.13Å; P753-Q756 HydrophobicContact CG-CB 4.32Å; P753-Q756 HydrophobicContact CG-CG 3.97Å; P753-Q756 PolarHBondContact O-N 2.9Å
754	A	87	Confident	82.7	Confident	3 Å²	3	45.5 Å²	45.5	3%	0.025	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-51.9	-36.3	178.5	0	0	0	0	0	113.4	P731 C733 C740 L742 Y744 Q756 S757	P731-A754 WeakPolarHBondContact CD-O 3.44Å; P731-A754 HydrophobicContact CG-CB 3.74Å; P731-A754 WeakPolarHBondContact CG-O 3.41Å; C733-A754 VanDerWaalsContact SG-CB 3.57Å; C740-A754 HydrophobicContact CB-CB 3.58Å; C740-A754 WeakPolarHBondContact SG-CB 3.49Å; L742-A754 HydrophobicContact CD1-CB 3.39Å; Y744-A754 PolarHBondContact OH-N 2.53Å; Y744-A754 VanDerWaalsContact OH-N 3.08Å; A754-Q756 PolarHBondContact O-N 2.8Å; A754-S757 WeakPolarHBondContact O-CB 3.29Å; A754-S757 PolarHBondContact O-N 2.77Å; A754-S757 PolarHBondContact O-OG 2.87Å
755	S	86.8	Confident	82.5	Confident	68 Å²	68	46 Å²	46	48%	0.476	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-60.4	-15.5	177.5	63.1	0	0	0	0	114.3	P753	P753-S755 PolarHBondContact O-N 3.3Å; P753-S755 VanDerWaalsContact O-N 3.13Å
756	Q	87.6	Confident	82.1	Confident	70 Å²	70	49.5 Å²	49.5	33%	0.327	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-106.5	32.1	176.1	-62.7	-68.5	-24.1	0	0	111.5	P612 I716 P753 A754	P612-Q756 HydrophobicContact CB-CB 4.08Å; P612-Q756 HydrophobicContact CB-CG 3.94Å; P612-Q756 HydrophobicContact CG-CB 3.59Å; P612-Q756 HydrophobicContact CG-CG 3.81Å; I716-Q756 WeakPolarHBondContact CG2-O 3.46Å; P753-Q756 HydrophobicContact CG-CB 4.32Å; P753-Q756 HydrophobicContact CG-CG 3.97Å; P753-Q756 PolarHBondContact O-N 2.9Å; A754-Q756 PolarHBondContact O-N 2.8Å
757	S	90.9	Very high	81.6	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.007	29%	0.289	C	S	.	.	S	Bend	trans	-136	170.3	176.5	70.8	0	0	0	0	110.8	W707 V708 P730 P731 A754	W707-S757 PolarHBondContact NE1-OG 3.36Å; V708-S757 CarbonylContact O-C 3.48Å; V708-S757 WeakPolarHBondContact O-CA 3.41Å; V708-S757 WeakPolarHBondContact O-CB 3.42Å; P730-S757 WeakPolarHBondContact CA-O 3.35Å; P731-S757 WeakPolarHBondContact CD-O 3.3Å; A754-S757 WeakPolarHBondContact O-CB 3.29Å; A754-S757 PolarHBondContact O-N 2.77Å; A754-S757 PolarHBondContact O-OG 2.87Å
758	L	92.1	Very high	80.9	Confident	16 Å²	16	56.7 Å²	56.7	8%	0.084	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.5	177.6	-61.3	175.2	0	0	0	110.4	W707 V708 I716 L719 I725	W707-L758 CarbonylContact C-O 3.24Å; W707-L758 WeakPolarHBondContact CA-O 3.45Å; V708-L758 HydrophobicContact CB-CB 4.42Å; V708-L758 PolarHBondContact N-O 3.25Å; V708-L758 PolarHBondContact O-N 3.27Å; I716-L758 HydrophobicContact CB-CD2 4.3Å; I716-L758 HydrophobicContact CB-CG 4.26Å; I716-L758 HydrophobicContact CD1-CD2 4.04Å; I716-L758 HydrophobicContact CG2-CD1 4.41Å; I716-L758 HydrophobicContact CG2-CD2 4.09Å; I716-L758 HydrophobicContact CG2-CG 3.74Å; L719-L758 HydrophobicContact CD1-CD1 3.69Å; L719-L758 HydrophobicContact CD1-CG 4.46Å; I725-L758 HydrophobicContact CG2-CD1 3.85Å
759	L	91.6	Very high	79.8	Confident	8 Å²	8	60 Å²	60	4%	0.042	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.6	167.1	-80	173.4	0	0	0	109.3	F688 W705 L706 W707 G728 H729 P731 L742	F688-L759 HydrophobicContact CE1-CD2 3.75Å; F688-L759 HydrophobicContact CZ-CD2 3.89Å; W705-L759 HydrophobicContact CB-CD2 3.91Å; W705-L759 HydrophobicContact CD2-CD2 4.46Å; W705-L759 HydrophobicContact CE3-CB 3.94Å; W705-L759 HydrophobicContact CE3-CD2 4.49Å; W705-L759 HydrophobicContact CG-CD2 4.23Å; W705-L759 HydrophobicContact CZ3-CB 4.27Å; L706-L759 WeakPolarHBondContact O-CA 3.03Å; W707-L759 HydrophobicContact CB-CD2 4.05Å; W707-L759 HydrophobicContact CG-CD2 4.31Å; G728-L759 CarbonylContact C-O 3.46Å; G728-L759 VanDerWaalsContact CA-O 3.24Å; G728-L759 WeakPolarHBondContact CA-O 3.24Å; H729-L759 PolarHBondContact N-O 2.91Å; H729-L759 PolarHBondContact O-N 2.78Å; P731-L759 HydrophobicContact CB-CD1 3.62Å; P731-L759 HydrophobicContact CB-CG 4.27Å; L742-L759 HydrophobicContact CD2-CD1 4.04Å; L742-L759 HydrophobicContact CD2-CD2 3.88Å; L742-L759 HydrophobicContact CD2-CG 4.21Å
760	T	91.2	Very high	79	Confident	6 Å²	6	65.2 Å²	65.2	4%	0.037	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135.7	175.1	-56.4	0	0	0	0	109.7	W705 L706 E724 S727 G728 M762	W705-T760 CarbonylContact C-O 3.59Å; W705-T760 VanDerWaalsContact CA-O 3.28Å; W705-T760 WeakPolarHBondContact CA-O 3.42Å; W705-T760 VanDerWaalsContact CE3-C 3.49Å; L706-T760 PolarHBondContact N-O 2.96Å; L706-T760 PolarHBondContact O-N 3.33Å; E724-T760 VanDerWaalsContact O-CB 3.27Å; E724-T760 WeakPolarHBondContact O-CB 3.29Å; E724-T760 WeakPolarHBondContact O-CG2 3.48Å; E724-T760 PolarHBondContact O-OG1 3.07Å; S727-T760 WeakPolarHBondContact OG-CG2 3.49Å; G728-T760 WeakPolarHBondContact CA-OG1 3.24Å; G728-T760 PolarHBondContact N-OG1 3.05Å; T760-M762 PolarHBondContact O-N 2.95Å
761	K	89.8	Confident	78.2	Confident	158 Å²	158	61.3 Å²	61.3	69%	0.687	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	135.1	174.4	-73.2	-168	176.2	-173.9	0	110.9	W705	W705-K761 HydrophobicContact CE3-CG 3.87Å; W705-K761 HydrophobicContact CH2-CD 4.21Å; W705-K761 HydrophobicContact CH2-CG 3.5Å; W705-K761 HydrophobicContact CZ2-CG 4.22Å; W705-K761 HydrophobicContact CZ3-CB 4.29Å; W705-K761 HydrophobicContact CZ3-CD 4.44Å; W705-K761 HydrophobicContact CZ3-CG 3.31Å
762	M	86.8	Confident	77.7	Confident	25 Å²	25	61.5 Å²	61.5	12%	0.123	34%	0.338	C	S	.	.			trans	-121.6	169.6	178.4	-64.9	-69.2	-82.5	0	0	111.2	H687 N704 L706 T760 Q836	H687-M762 WeakPolarHBondContact NE2-CB 3.11Å; N704-M762 PolarHBondContact O-N 2.93Å; L706-M762 HydrophobicContact CB-CE 4.22Å; L706-M762 HydrophobicContact CB-CG 3.44Å; L706-M762 VanDerWaalsContact CB-CG 3.44Å; L706-M762 HydrophobicContact CB-SD 3.69Å; L706-M762 HydrophobicContact CD2-CE 4.46Å; L706-M762 HydrophobicContact CD2-SD 4.26Å; L706-M762 VanDerWaalsContact N-CG 3.3Å; T760-M762 PolarHBondContact O-N 2.95Å; M762-Q836 HydrophobicContact CE-CB 3.55Å; M762-Q836 HydrophobicContact CE-CG 4.47Å
763	E	84	Confident	77	Confident	122 Å²	122	65.1 Å²	65.1	57%	0.57	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-69.1	161.4	166.5	-74.7	169	-161	0	0	111	H687 N704 L765 Q836	H687-E763 PolarHBondContact CE1-O 2.84Å; H687-E763 PolarHBondContact NE2-O 3.46Å; H687-E763 VanDerWaalsContact NE2-O 3.16Å; N704-E763 WeakPolarHBondContact CB-O 2.9Å; E763-L765 PolarHBondContact O-N 2.92Å; E763-Q836 PolarHBondContact OE1-NE2 3.41Å; E763-Q836 VanDerWaalsContact OE1-NE2 3.15Å
764	A	77.3	Confident	76.3	Confident	72 Å²	72	65.9 Å²	65.9	60%	0.595	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-59.1	133.6	176.4	0	0	0	0	0	111.3	N704	N704-A764 VanDerWaalsContact CG-CA 3.47Å; N704-A764 WeakPolarHBondContact ND2-CA 3.18Å
765	L	73	Confident	75.6	Confident	14 Å²	14	69.6 Å²	69.6	7%	0.073	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-62.2	144.9	169.5	-76.1	159.9	0	0	0	109.5	H687 T689 E763 Q767 N868 D870	H687-L765 WeakPolarHBondContact ND1-CD2 3.3Å; T689-L765 WeakPolarHBondContact OG1-CD1 3.47Å; E763-L765 PolarHBondContact O-N 2.92Å; L765-Q767 PolarHBondContact O-N 3.3Å; L765-N868 HydrophobicContact CD1-CB 4.49Å; L765-N868 HydrophobicContact CD2-CB 3.84Å; L765-D870 WeakPolarHBondContact CB-OD2 3.5Å; L765-D870 HydrophobicContact CD1-CB 4.39Å; L765-D870 WeakPolarHBondContact CD1-OD2 3.17Å
766	P	63.8	Low	74.8	Confident	97 Å²	97	69.5 Å²	69.5	63%	0.63	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-52.2	132.9	168.4	-19.7	30.2	0	0	0	108.5	A768	P766-A768 PolarHBondContact O-N 3Å
767	Q	58.1	Low	73.8	Confident	164 Å²	164	72 Å²	72	77%	0.766	38%	0.383	S	S	*	.			trans	-47.3	115.6	-175	-171	171.5	-4.9	0	0	110.5	L765	L765-Q767 PolarHBondContact O-N 3.3Å
768	A	58.1	Low	72.8	Confident	32 Å²	32	79.7 Å²	79.7	26%	0.264	42%	0.424	S	S	.	.			trans	-53.9	142.2	179.9	0	0	0	0	0	110	P766 Y770	P766-A768 PolarHBondContact O-N 3Å; A768-Y770 WeakPolarHBondContact CB-O 3.29Å; A768-Y770 PolarHBondContact O-N 2.93Å; A768-Y770 VanDerWaalsContact O-N 3.14Å
769	A	52.6	Low	71.5	Confident	94 Å²	94	83.1 Å²	83.1	78%	0.777	44%	0.438	S	S	*	.	S	Bend	trans	-59.2	-25.7	178.1	0	0	0	0	0	112.2
770	Y	58.6	Low	70.2	Confident	139 Å²	139	88.3 Å²	88.3	55%	0.545	46%	0.46	S	S	.	.	S	Bend	trans	-127.1	128.4	177.1	-63.6	-91.9	0	0	0	109.4	A768 C873	A768-Y770 WeakPolarHBondContact CB-O 3.29Å; A768-Y770 PolarHBondContact O-N 2.93Å; A768-Y770 VanDerWaalsContact O-N 3.14Å; Y770-C873 WeakPolarHBondContact CD2-SG 3.41Å
771	Q	63.1	Low	69.2	Low	86 Å²	86	88.3 Å²	88.3	40%	0.402	46%	0.46	S	S	.	.			trans	-93.6	134.1	171.3	-66.9	-164.2	-3.6	0	0	109.4	E773	Q771-E773 PolarHBondContact O-N 3.07Å
772	T	68.2	Low	68.4	Low	54 Å²	54	83.1 Å²	83.1	33%	0.331	44%	0.44	S	S	.	.			trans	-66.5	121.6	168.5	-33.9	0	0	0	0	109.1	V783 A784 S875 V877	T772-V783 HydrophobicContact CG2-CG1 4.25Å; T772-A784 CarbonylContact C-O 3.5Å; T772-A784 WeakPolarHBondContact CA-O 3.3Å; T772-S875 WeakPolarHBondContact CG2-OG 3.14Å; T772-S875 WeakPolarHBondContact OG1-CB 3.39Å; T772-S875 PolarHBondContact OG1-OG 2.83Å; T772-V877 HydrophobicContact CG2-CG2 3.46Å; T772-V877 VanDerWaalsContact CG2-CG2 3.46Å
773	E	70	Confident	67.7	Low	105 Å²	105	81.9 Å²	81.9	49%	0.491	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.5	174.5	-63.7	-171.1	-176	0	0	109.9	Q771 H775 V783 A784	Q771-E773 PolarHBondContact O-N 3.07Å; E773-H775 IonicContact OE2-CD2 3.3Å; E773-H775 IonicContact OE2-CE1 3.33Å; E773-H775 IonicContact OE2-NE2 2.68Å; E773-H775 PolarHBondContact OE2-NE2 3.5Å; E773-V783 WeakPolarHBondContact O-CA 3.06Å; E773-A784 HydrophobicContact CB-CB 4.47Å; E773-A784 PolarHBondContact N-O 2.86Å; E773-A784 PolarHBondContact O-N 3.39Å
774	L	72.3	Confident	67.2	Low	50 Å²	50	77.4 Å²	77.4	26%	0.262	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	113.1	174.4	-178.5	71.8	0	0	0	108.6	I776 V781 L782 V783 V877 I879	L774-I776 HydrophobicContact CD2-CD1 4.17Å; L774-I776 HydrophobicContact CD2-CG1 4.39Å; L774-I776 HydrophobicContact CG-CG1 4.19Å; L774-V781 HydrophobicContact CD1-CG1 3.42Å; L774-V781 VanDerWaalsContact CD1-CG1 3.42Å; L774-L782 WeakPolarHBondContact CA-O 3.14Å; L774-V783 HydrophobicContact CD1-CG2 3.69Å; L774-V877 HydrophobicContact CD1-CG1 4.16Å; L774-I879 HydrophobicContact CD1-CD1 4.21Å; L774-I879 HydrophobicContact CD1-CG1 4.19Å
775	H	72	Confident	66.8	Low	81 Å²	81	75.3 Å²	75.3	38%	0.375	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	114.8	175.6	-59.2	-89.1	0	0	0	109.5	E773 L782	E773-H775 IonicContact OE2-CD2 3.3Å; E773-H775 IonicContact OE2-CE1 3.33Å; E773-H775 IonicContact OE2-NE2 2.68Å; E773-H775 PolarHBondContact OE2-NE2 3.5Å; H775-L782 HydrophobicContact CB-CB 4.18Å; H775-L782 PolarHBondContact N-O 3.36Å; H775-L782 PolarHBondContact O-N 3.49Å
776	I	69.2	Low	66.4	Low	66 Å²	66	75.1 Å²	75.1	34%	0.338	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	107.7	176.2	-54.2	178.2	0	0	0	108.1	L774 K780 V781	L774-I776 HydrophobicContact CD2-CD1 4.17Å; L774-I776 HydrophobicContact CD2-CG1 4.39Å; L774-I776 HydrophobicContact CG-CG1 4.19Å; I776-K780 CarbonylContact C-O 3.48Å; I776-K780 WeakPolarHBondContact CA-O 3.22Å; I776-V781 HydrophobicContact CG1-CG1 4.47Å; I776-V781 HydrophobicContact CG1-CG2 4.4Å
777	L	68.2	Low	66.4	Low	121 Å²	121	72.1 Å²	72.1	63%	0.634	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.2	118.6	-175.9	-66.9	173.1	0	0	0	110.6	K779 K780	L777-K779 PolarHBondContact O-N 3.27Å; L777-K780 PolarHBondContact N-O 2.92Å; L777-K780 WeakPolarHBondContact O-CA 3.41Å; L777-K780 VanDerWaalsContact O-CB 3.24Å; L777-K780 WeakPolarHBondContact O-CB 3.38Å; L777-K780 PolarHBondContact O-N 3.42Å
778	N	68.3	Low	66.9	Low	164 Å²	164	64.7 Å²	64.7	88%	0.877	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.2	60	172.7	-73.4	-10.9	0	0	0	113.5	K780	N778-K780 PolarHBondContact O-N 3.48Å
779	K	65.3	Low	67.6	Low	88 Å²	88	63.5 Å²	63.5	38%	0.383	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	9.7	-179.4	-64.2	171.5	159.7	-169.3	0	114.3	L777 G884 V886 F887 S888	L777-K779 PolarHBondContact O-N 3.27Å; K779-G884 WeakPolarHBondContact CE-O 3.28Å; K779-V886 WeakPolarHBondContact CB-O 3.39Å; K779-V886 HydrophobicContact CD-CB 4.38Å; K779-V886 WeakPolarHBondContact CD-O 3.26Å; K779-V886 WeakPolarHBondContact CE-O 3.42Å; K779-V886 WeakPolarHBondContact CG-O 3.3Å; K779-F887 HydrophobicContact CB-CD1 4.17Å; K779-F887 CarbonylContact O-C 3.43Å; K779-F887 VanDerWaalsContact O-CA 3.29Å; K779-F887 WeakPolarHBondContact O-CA 2.89Å; K779-S888 PolarHBondContact O-N 3.06Å
780	K	65.5	Low	68.6	Low	116 Å²	116	59.1 Å²	59.1	50%	0.504	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	134.6	170.8	-61.6	179.3	-179.7	176.5	0	110.5	I776 L777 N778 S888	I776-K780 CarbonylContact C-O 3.48Å; I776-K780 WeakPolarHBondContact CA-O 3.22Å; L777-K780 PolarHBondContact N-O 2.92Å; L777-K780 WeakPolarHBondContact O-CA 3.41Å; L777-K780 VanDerWaalsContact O-CB 3.24Å; L777-K780 WeakPolarHBondContact O-CB 3.38Å; L777-K780 PolarHBondContact O-N 3.42Å; N778-K780 PolarHBondContact O-N 3.48Å; K780-S888 WeakPolarHBondContact CA-O 3.41Å
781	V	69.7	Low	69.4	Low	7 Å²	7	52.5 Å²	52.5	4%	0.042	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	119.9	171.2	-175.5	0	0	0	0	108.3	L774 I776 V783 I879 S888 F889 N890	L774-V781 HydrophobicContact CD1-CG1 3.42Å; L774-V781 VanDerWaalsContact CD1-CG1 3.42Å; I776-V781 HydrophobicContact CG1-CG1 4.47Å; I776-V781 HydrophobicContact CG1-CG2 4.4Å; V781-V783 HydrophobicContact CG1-CG2 4.11Å; V781-I879 HydrophobicContact CG1-CD1 3.63Å; V781-I879 HydrophobicContact CG1-CG1 4.31Å; V781-I879 HydrophobicContact CG2-CG2 4.36Å; V781-S888 PolarHBondContact N-O 2.85Å; V781-S888 VanDerWaalsContact N-O 3.16Å; V781-F889 HydrophobicContact CB-CD2 3.79Å; V781-F889 HydrophobicContact CB-CE2 4.16Å; V781-F889 HydrophobicContact CG1-CD2 4.08Å; V781-F889 HydrophobicContact CG1-CE2 3.94Å; V781-N890 CarbonylContact O-C 3.5Å; V781-N890 PolarHBondContact O-N 3.43Å; V781-N890 VanDerWaalsContact O-O 3.14Å
782	L	73.3	Confident	69.8	Low	48 Å²	48	48.4 Å²	48.4	25%	0.251	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	121.3	170.4	175.2	71.4	0	0	0	109	L774 H775 N890 Q892	L774-L782 WeakPolarHBondContact CA-O 3.14Å; H775-L782 HydrophobicContact CB-CB 4.18Å; H775-L782 PolarHBondContact N-O 3.36Å; H775-L782 PolarHBondContact O-N 3.49Å; L782-N890 VanDerWaalsContact CA-O 3.23Å; L782-N890 WeakPolarHBondContact CA-O 3.15Å; L782-N890 WeakPolarHBondContact CD1-O 3.37Å; L782-Q892 HydrophobicContact CD1-CB 3.86Å; L782-Q892 HydrophobicContact CD1-CG 3.65Å
783	V	71.9	Confident	70	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120.3	171.4	-171.1	0	0	0	0	106.7	T772 E773 L774 V781 M789 V877 I879 F889 Q892	T772-V783 HydrophobicContact CG2-CG1 4.25Å; E773-V783 WeakPolarHBondContact O-CA 3.06Å; L774-V783 HydrophobicContact CD1-CG2 3.69Å; V781-V783 HydrophobicContact CG1-CG2 4.11Å; V783-M789 HydrophobicContact CB-CE 4.44Å; V783-M789 HydrophobicContact CB-SD 4.4Å; V783-M789 HydrophobicContact CG1-CE 3.98Å; V783-M789 HydrophobicContact CG1-SD 3.36Å; V783-M789 WeakPolarHBondContact CG1-SD 3.34Å; V783-V877 HydrophobicContact CG1-CB 4.31Å; V783-V877 HydrophobicContact CG1-CG1 4.3Å; V783-V877 HydrophobicContact CG1-CG2 3.76Å; V783-V877 HydrophobicContact CG2-CG1 4.17Å; V783-I879 HydrophobicContact CG2-CD1 4.04Å; V783-F889 HydrophobicContact CB-CZ 4.22Å; V783-F889 HydrophobicContact CG2-CE2 3.6Å; V783-F889 HydrophobicContact CG2-CZ 3.61Å; V783-Q892 PolarHBondContact O-N 3.28Å; V783-Q892 VanDerWaalsContact O-N 3.11Å
784	A	73.5	Confident	70	Confident	27 Å²	27	42.1 Å²	42.1	22%	0.223	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	146.6	165.8	0	0	0	0	0	106.9	T772 E773	T772-A784 CarbonylContact C-O 3.5Å; T772-A784 WeakPolarHBondContact CA-O 3.3Å; E773-A784 HydrophobicContact CB-CB 4.47Å; E773-A784 PolarHBondContact N-O 2.86Å; E773-A784 PolarHBondContact O-N 3.39Å
785	G	67.8	Low	69.6	Low	29 Å²	29	41.4 Å²	41.4	30%	0.299	22%	0.221	S	C	.	.			trans	-174.3	-136	178.9	0	0	0	0	0	110.7
786	S	65.1	Low	69.3	Low	9 Å²	9	40.8 Å²	40.8	6%	0.063	22%	0.217	C	C	.	.			trans	-105.4	156.8	-158.2	66.3	0	0	0	0	108.2	H788 C873 S875	S786-H788 VanDerWaalsContact C-N 3.26Å; S786-H788 CarbonylContact O-C 3.59Å; S786-H788 PolarHBondContact O-N 2.7Å; S786-H788 VanDerWaalsContact O-N 3.1Å; S786-H788 PolarHBondContact OG-O 3.35Å; S786-C873 CarbonylContact C-O 3.29Å; S786-C873 WeakPolarHBondContact CB-O 3.49Å; S786-C873 PolarHBondContact OG-O 3.49Å; S786-S875 WeakPolarHBondContact CB-OG 3.47Å; S786-S875 PolarHBondContact N-OG 2.98Å; S786-S875 WeakPolarHBondContact OG-CB 3.09Å; S786-S875 PolarHBondContact OG-N 2.89Å; S786-S875 PolarHBondContact OG-OG 3.1Å
787	D	63.5	Low	69.1	Low	34 Å²	34	45.6 Å²	45.6	18%	0.182	24%	0.238	C	C	.	.	S	Bend	trans	-47.8	-41.9	-169.9	-96.5	14.2	0	0	0	114.5	Q825 F826 V827 H828 C873	D787-Q825 CarbonylContact O-C 3.48Å; D787-Q825 WeakPolarHBondContact O-CA 3.4Å; D787-F826 CarbonylContact C-O 3.57Å; D787-F826 VanDerWaalsContact CB-C 3.46Å; D787-F826 HydrophobicContact CB-CB 3.71Å; D787-F826 VanDerWaalsContact CB-O 3.23Å; D787-F826 WeakPolarHBondContact CB-O 3.25Å; D787-F826 WeakPolarHBondContact O-CA 3.42Å; D787-F826 WeakPolarHBondContact O-CB 3.48Å; D787-F826 WeakPolarHBondContact O-CD2 3.36Å; D787-F826 PolarHBondContact O-N 2.86Å; D787-F826 VanDerWaalsContact OD1-CB 3.3Å; D787-F826 WeakPolarHBondContact OD1-CB 3.29Å; D787-V827 PolarHBondContact OD2-N 3.13Å; D787-H828 PolarHBondContact OD2-N 3.44Å; D787-H828 IonicContact OD2-ND1 2.85Å; D787-C873 HydrophobicContact CB-CB 3.99Å
788	H	69	Low	68.8	Low	8 Å²	8	48 Å²	48	4%	0.037	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	121.7	167.7	-164.3	-69.8	0	0	0	110.2	Y745 S786 S824 K872 C873 Y874 S875	Y745-H788 AromaticContact CE2-CE1 3.72Å; Y745-H788 AromaticContact CE2-NE2 3.52Å; S786-H788 VanDerWaalsContact C-N 3.26Å; S786-H788 CarbonylContact O-C 3.59Å; S786-H788 PolarHBondContact O-N 2.7Å; S786-H788 VanDerWaalsContact O-N 3.1Å; S786-H788 PolarHBondContact OG-O 3.35Å; H788-S824 CarbonylContact C-O 3.55Å; H788-S824 VanDerWaalsContact CA-O 3.22Å; H788-S824 WeakPolarHBondContact CA-O 3.41Å; H788-K872 WeakPolarHBondContact CB-O 3.44Å; H788-C873 CarbonylContact C-O 3.5Å; H788-C873 PolarHBondContact N-O 3.21Å; H788-Y874 HydrophobicContact CB-CD2 4.33Å; H788-Y874 AromaticContact CE1-CD2 3.73Å; H788-Y874 AromaticContact CE1-CE2 3.54Å; H788-Y874 AromaticContact CG-CD2 3.89Å; H788-Y874 AromaticContact ND1-CD2 3.09Å; H788-Y874 WeakPolarHBondContact ND1-CD2 3.2Å; H788-Y874 AromaticContact ND1-CE2 3.29Å; H788-Y874 VanDerWaalsContact ND1-CE2 3.29Å; H788-Y874 WeakPolarHBondContact ND1-CE2 3.37Å; H788-Y874 CarbonylContact O-C 3.58Å; H788-Y874 WeakPolarHBondContact O-CA 3.47Å; H788-S875 PolarHBondContact O-N 3.22Å
789	M	72.4	Confident	68.5	Low	8 Å²	8	43.2 Å²	43.2	4%	0.039	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	128.6	-179.4	-179.4	167	63.1	0	0	111.8	V783 V791 A823 S824 S875 V877	V783-M789 HydrophobicContact CB-CE 4.44Å; V783-M789 HydrophobicContact CB-SD 4.4Å; V783-M789 HydrophobicContact CG1-CE 3.98Å; V783-M789 HydrophobicContact CG1-SD 3.36Å; V783-M789 WeakPolarHBondContact CG1-SD 3.34Å; M789-V791 HydrophobicContact CE-CG2 3.86Å; M789-V791 HydrophobicContact CG-CG2 3.77Å; M789-V791 HydrophobicContact SD-CG2 3.9Å; M789-A823 CarbonylContact O-C 3.12Å; M789-A823 WeakPolarHBondContact O-CA 3.32Å; M789-S824 PolarHBondContact N-O 2.98Å; M789-S824 PolarHBondContact O-N 3.24Å; M789-S875 CarbonylContact C-O 3.42Å; M789-S875 VanDerWaalsContact CA-O 3.28Å; M789-S875 WeakPolarHBondContact CA-O 3.25Å; M789-V877 HydrophobicContact SD-CG2 4.42Å
790	C	73.8	Confident	68.4	Low	1 Å²	1	47.9 Å²	47.9	1%	0.007	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.1	168.6	-66.5	0	0	0	0	109.8	F792 V822 Y874 S875 W876 V877	C790-F792 HydrophobicContact CB-CD2 4.43Å; C790-F792 HydrophobicContact CB-CE2 3.68Å; C790-F792 HydrophobicContact CB-CZ 4.36Å; C790-V822 CarbonylContact C-O 3.58Å; C790-V822 VanDerWaalsContact CA-O 3.25Å; C790-V822 WeakPolarHBondContact CA-O 3.35Å; C790-Y874 HydrophobicContact CB-CE2 4.33Å; C790-Y874 VanDerWaalsContact CB-OH 3.31Å; C790-Y874 WeakPolarHBondContact CB-OH 3.45Å; C790-Y874 VanDerWaalsContact SG-CE2 3.57Å; C790-Y874 PolarHBondContact SG-OH 3.35Å; C790-S875 PolarHBondContact N-O 2.93Å; C790-W876 WeakPolarHBondContact O-CA 3.48Å; C790-V877 PolarHBondContact O-N 2.8Å; C790-V877 VanDerWaalsContact O-N 3.07Å
791	V	75.1	Confident	68.5	Low	1 Å²	1	43.7 Å²	43.7	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	119.9	177.2	-172.9	0	0	0	0	110	M789 I793 V821 V822 I879 F889	M789-V791 HydrophobicContact CE-CG2 3.86Å; M789-V791 HydrophobicContact CG-CG2 3.77Å; M789-V791 HydrophobicContact SD-CG2 3.9Å; V791-I793 HydrophobicContact CG1-CD1 4.41Å; V791-I793 HydrophobicContact CG1-CG1 4.01Å; V791-V821 VanDerWaalsContact O-CA 3.31Å; V791-V821 WeakPolarHBondContact O-CA 3.3Å; V791-V822 HydrophobicContact CB-CB 4.48Å; V791-V822 PolarHBondContact N-O 3.25Å; V791-V822 PolarHBondContact O-N 3.04Å; V791-V822 VanDerWaalsContact O-N 3.14Å; V791-I879 HydrophobicContact CG1-CD1 4.15Å; V791-F889 HydrophobicContact CG1-CE2 4.03Å; V791-F889 HydrophobicContact CG1-CZ 3.76Å
792	F	72.6	Confident	68.2	Low	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	115.9	175.3	-64.6	-89.8	0	0	0	110.7	T738 Y739 C790 F820 V821 W876 V877 Q878 I879	T738-F792 HydrophobicContact CG2-CB 4.45Å; T738-F792 HydrophobicContact CG2-CD1 4.13Å; Y739-F792 AromaticContact CD2-CD1 3.39Å; Y739-F792 HydrophobicContact CD2-CD1 3.39Å; Y739-F792 AromaticContact CD2-CE1 3.28Å; Y739-F792 HydrophobicContact CD2-CE1 3.28Å; Y739-F792 HydrophobicContact CD2-CG 4.32Å; Y739-F792 HydrophobicContact CD2-CZ 4.15Å; Y739-F792 HydrophobicContact CE1-CE1 4.41Å; Y739-F792 AromaticContact CE2-CD1 3.44Å; Y739-F792 HydrophobicContact CE2-CD1 3.44Å; Y739-F792 VanDerWaalsContact CE2-CD1 3.44Å; Y739-F792 AromaticContact CE2-CE1 3.18Å; Y739-F792 HydrophobicContact CE2-CE1 3.18Å; Y739-F792 HydrophobicContact CE2-CZ 4.29Å; Y739-F792 HydrophobicContact CG-CD1 4.44Å; Y739-F792 HydrophobicContact CG-CE1 4.07Å; Y739-F792 AromaticContact CZ-CE1 3.83Å; C790-F792 HydrophobicContact CB-CD2 4.43Å; C790-F792 HydrophobicContact CB-CE2 3.68Å; C790-F792 HydrophobicContact CB-CZ 4.36Å; F792-F820 VanDerWaalsContact CA-O 3.27Å; F792-F820 WeakPolarHBondContact CA-O 3.48Å; F792-V821 HydrophobicContact CD1-CB 4.37Å; F792-V821 HydrophobicContact CD1-CG1 4.32Å; F792-V821 HydrophobicContact CD1-CG2 3.57Å; F792-V821 HydrophobicContact CE1-CB 4Å; F792-V821 HydrophobicContact CE1-CG1 3.64Å; F792-V821 HydrophobicContact CE1-CG2 3.25Å; F792-V821 HydrophobicContact CE2-CG1 4.34Å; F792-V821 HydrophobicContact CZ-CG1 3.67Å; F792-V821 HydrophobicContact CZ-CG2 4.17Å; F792-W876 AromaticContact CD2-CD1 3.57Å; F792-W876 AromaticContact CD2-CE2 3.96Å; F792-W876 AromaticContact CD2-NE1 3.12Å; F792-W876 AromaticContact CE2-CD1 3.34Å; F792-W876 AromaticContact CE2-NE1 3.13Å; F792-V877 PolarHBondContact N-O 2.82Å; F792-Q878 HydrophobicContact CB-CG 4.49Å; F792-Q878 WeakPolarHBondContact O-CA 3.27Å; F792-I879 PolarHBondContact O-N 3.36Å
793	I	71.7	Confident	67.8	Low	12 Å²	12	50 Å²	50	6%	0.062	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	119.1	177.8	-53.3	174.8	0	0	0	108.5	V791 F820 I879 F889	V791-I793 HydrophobicContact CG1-CD1 4.41Å; V791-I793 HydrophobicContact CG1-CG1 4.01Å; I793-F820 HydrophobicContact CB-CB 4.29Å; I793-F820 HydrophobicContact CB-CD2 4.12Å; I793-F820 PolarHBondContact N-O 2.98Å; I793-F820 PolarHBondContact O-N 3.2Å; I793-I879 HydrophobicContact CG1-CD1 4.36Å; I793-F889 HydrophobicContact CD1-CB 4.28Å; I793-F889 HydrophobicContact CD1-CD1 4.2Å; I793-F889 HydrophobicContact CD1-CD2 3.52Å; I793-F889 HydrophobicContact CD1-CE2 3.9Å; I793-F889 HydrophobicContact CD1-CG 3.71Å; I793-F889 HydrophobicContact CD1-CZ 4.4Å; I793-F889 HydrophobicContact CG1-CD2 4.46Å
794	T	69.1	Low	67.7	Low	15 Å²	15	50.2 Å²	50.2	9%	0.092	25%	0.248	C	C	.	.			trans	-115.2	104	176.2	-48.9	0	0	0	0	108.9	T738 F796 I879 P881	T738-T794 WeakPolarHBondContact CB-OG1 3.37Å; T738-T794 WeakPolarHBondContact OG1-CG2 3.08Å; T738-T794 PolarHBondContact OG1-OG1 3.46Å; T794-F796 PolarHBondContact O-N 2.83Å; T794-I879 PolarHBondContact N-O 3.39Å; T794-P881 WeakPolarHBondContact O-CD 3.43Å
795	P	65	Low	67.5	Low	35 Å²	35	51.5 Å²	51.5	23%	0.227	26%	0.255	C	S	.	.			trans	-67.6	131.8	170.7	25.9	-28.5	0	0	0	109.5	W799	P795-W799 HydrophobicContact CB-CB 4.01Å; P795-W799 WeakPolarHBondContact CB-O 3.33Å
796	F	65.6	Low	67.4	Low	67 Å²	67	51.7 Å²	51.7	29%	0.294	25%	0.248	S	C	.	.			trans	-68.3	157.1	170.4	-85.7	-98.1	0	0	0	110.7	E736 T794 H798 W799 Y880	E736-F796 VanDerWaalsContact OE2-CE1 3.27Å; E736-F796 WeakPolarHBondContact OE2-CE1 3.43Å; T794-F796 PolarHBondContact O-N 2.83Å; F796-H798 PolarHBondContact O-N 3.34Å; F796-H798 VanDerWaalsContact O-N 3.14Å; F796-W799 WeakPolarHBondContact O-CB 3.37Å; F796-W799 PolarHBondContact O-N 3.26Å; F796-Y880 AromaticContact CE2-CD1 3.51Å; F796-Y880 HydrophobicContact CE2-CD1 3.51Å; F796-Y880 HydrophobicContact CE2-CG 4.05Å; F796-Y880 AromaticContact CZ-CD1 3.87Å; F796-Y880 HydrophobicContact CZ-CD1 3.87Å; F796-Y880 HydrophobicContact CZ-CG 4.49Å
797	E	64.8	Low	67.2	Low	168 Å²	168	53.1 Å²	53.1	79%	0.785	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	31.5	-104.6	167.3	-61.1	-176.2	159.1	0	0	117.3
798	H	61.7	Low	66.7	Low	171 Å²	171	59.9 Å²	59.9	79%	0.792	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	10.4	-171.3	-60.1	-59.6	0	0	0	113.7	F796	F796-H798 PolarHBondContact O-N 3.34Å; F796-H798 VanDerWaalsContact O-N 3.14Å
799	W	62.7	Low	65.9	Low	64 Å²	64	65.6 Å²	65.6	24%	0.242	31%	0.313	C	S	.	.			trans	-90.1	147.6	-168.8	-60.3	77.9	0	0	0	111.6	P795 F796 G884 E885 F887	P795-W799 HydrophobicContact CB-CB 4.01Å; P795-W799 WeakPolarHBondContact CB-O 3.33Å; F796-W799 WeakPolarHBondContact O-CB 3.37Å; F796-W799 PolarHBondContact O-N 3.26Å; W799-G884 WeakPolarHBondContact CH2-O 3.29Å; W799-G884 WeakPolarHBondContact CZ3-O 3.45Å; W799-E885 HydrophobicContact CH2-CB 4.36Å; W799-E885 HydrophobicContact CH2-CG 4.42Å; W799-E885 HydrophobicContact CZ3-CB 4.45Å; W799-E885 VanDerWaalsContact CZ3-N 3.3Å; W799-E885 WeakPolarHBondContact CZ3-O 3.36Å; W799-F887 HydrophobicContact CE3-CD2 4.48Å; W799-F887 HydrophobicContact CE3-CE2 4.27Å; W799-F887 HydrophobicContact CZ3-CE2 4.2Å
800	R	63	Low	64.9	Low	185 Å²	185	65.4 Å²	65.4	70%	0.698	31%	0.313	S	S	*	.			trans	-133	139	178.9	-64.1	-176.9	-179.6	-179.9	-0	110.8	L802	R800-L802 PolarHBondContact O-N 3.44Å
801	L	66.3	Low	63.5	Low	29 Å²	29	66.5 Å²	66.5	15%	0.152	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	119.8	169.4	-176.4	69.1	0	0	0	108.9	W804 F820 F889	L801-W804 HydrophobicContact CD2-CB 4.41Å; L801-W804 HydrophobicContact CD2-CD2 4.27Å; L801-W804 HydrophobicContact CD2-CE3 4.16Å; L801-W804 HydrophobicContact CD2-CG 4.42Å; L801-F820 HydrophobicContact CB-CE2 3.65Å; L801-F820 HydrophobicContact CB-CZ 3.95Å; L801-F820 HydrophobicContact CD2-CD1 4.18Å; L801-F820 HydrophobicContact CD2-CD2 3.7Å; L801-F820 HydrophobicContact CD2-CE1 3.86Å; L801-F820 HydrophobicContact CD2-CE2 3.35Å; L801-F820 HydrophobicContact CD2-CG 4.1Å; L801-F820 HydrophobicContact CD2-CZ 3.43Å; L801-F820 VanDerWaalsContact CD2-CZ 3.43Å; L801-F820 HydrophobicContact CG-CE2 4.12Å; L801-F820 HydrophobicContact CG-CZ 4.29Å; L801-F889 HydrophobicContact CD1-CB 4.07Å
802	L	64.8	Low	62.1	Low	116 Å²	116	75.6 Å²	75.6	61%	0.607	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	-47.7	179.5	-76.6	-170.7	0	0	0	113	R800 V886	R800-L802 PolarHBondContact O-N 3.44Å; L802-V886 HydrophobicContact CD1-CB 4.49Å; L802-V886 HydrophobicContact CD1-CG1 3.11Å; L802-V886 HydrophobicContact CG-CG1 3.78Å
803	N	63.9	Low	60.8	Low	71 Å²	71	82.9 Å²	82.9	38%	0.38	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	157	-174.3	-163.9	16.4	0	0	0	111	F889	N803-F889 PolarHBondContact O-N 3.41Å
804	W	70.5	Confident	59.7	Low	4 Å²	4	84.3 Å²	84.3	2%	0.015	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	164.1	176.5	63.4	-6.1	0	0	0	113.7	V163 L801 F806 N807 S810 F820 V822 F889	V163-W804 HydrophobicContact CB-CH2 3.93Å; V163-W804 HydrophobicContact CB-CZ2 4.31Å; V163-W804 HydrophobicContact CG1-CH2 4.49Å; V163-W804 HydrophobicContact CG2-CH2 3.68Å; V163-W804 HydrophobicContact CG2-CZ2 3.76Å; L801-W804 HydrophobicContact CD2-CB 4.41Å; L801-W804 HydrophobicContact CD2-CD2 4.27Å; L801-W804 HydrophobicContact CD2-CE3 4.16Å; L801-W804 HydrophobicContact CD2-CG 4.42Å; W804-F806 HydrophobicContact CD2-CB 4.35Å; W804-F806 HydrophobicContact CD2-CD2 4.5Å; W804-F806 HydrophobicContact CE3-CD2 4.03Å; W804-F806 HydrophobicContact CZ3-CD2 4.4Å; W804-N807 PolarHBondContact NE1-O 3.26Å; W804-S810 VanDerWaalsContact CZ2-OG 3.24Å; W804-S810 WeakPolarHBondContact CZ2-OG 3.36Å; W804-S810 PolarHBondContact NE1-OG 3.13Å; W804-F820 HydrophobicContact CE3-CD1 4.11Å; W804-F820 HydrophobicContact CE3-CG 4.42Å; W804-F820 HydrophobicContact CH2-CB 4.29Å; W804-F820 AromaticContact CH2-CD1 3.35Å; W804-F820 HydrophobicContact CH2-CD1 3.35Å; W804-F820 HydrophobicContact CH2-CE1 4.08Å; W804-F820 HydrophobicContact CH2-CG 4.18Å; W804-F820 AromaticContact CZ2-CD1 3.98Å; W804-F820 HydrophobicContact CZ2-CD1 3.98Å; W804-F820 HydrophobicContact CZ2-CE1 4.26Å; W804-F820 HydrophobicContact CZ3-CB 3.74Å; W804-F820 AromaticContact CZ3-CD1 3.42Å; W804-F820 HydrophobicContact CZ3-CD1 3.42Å; W804-F820 VanDerWaalsContact CZ3-CD1 3.42Å; W804-F820 HydrophobicContact CZ3-CE1 4.3Å; W804-F820 AromaticContact CZ3-CG 3.81Å; W804-F820 HydrophobicContact CZ3-CG 3.81Å; W804-V822 HydrophobicContact CE3-CG2 4.08Å; W804-V822 HydrophobicContact CH2-CG2 3.84Å; W804-V822 HydrophobicContact CZ3-CG2 3.31Å; W804-F889 CarbonylContact C-O 3.39Å; W804-F889 WeakPolarHBondContact CA-O 3.43Å; W804-F889 HydrophobicContact CB-CB 4.11Å; W804-F889 HydrophobicContact CB-CD1 4.16Å
805	S	69.5	Low	58.4	Low	55 Å²	55	91 Å²	91	39%	0.385	44%	0.44	S	S	.	.	S	Bend	trans	-74.3	-26.2	-179.6	56.6	0	0	0	0	114.7	F889 A891	S805-F889 PolarHBondContact N-O 3.18Å; S805-F889 VanDerWaalsContact N-O 3.07Å; S805-A891 PolarHBondContact OG-N 3.08Å; S805-A891 PolarHBondContact OG-O 3.1Å
806	F	64.7	Low	57.1	Low	32 Å²	32	91 Å²	91	14%	0.14	45%	0.447	C	S	.	.	S	Bend	trans	-72.9	-35.1	-169.1	-67.3	-62.6	0	0	0	114.8	C153 C165 W804 V822 F889 A891	C153-F806 PolarHBondContact SG-O 2.96Å; C165-F806 HydrophobicContact CB-CD1 4.26Å; C165-F806 VanDerWaalsContact SG-CD1 3.6Å; W804-F806 HydrophobicContact CD2-CB 4.35Å; W804-F806 HydrophobicContact CD2-CD2 4.5Å; W804-F806 HydrophobicContact CE3-CD2 4.03Å; W804-F806 HydrophobicContact CZ3-CD2 4.4Å; F806-V822 HydrophobicContact CB-CG2 4.39Å; F806-V822 HydrophobicContact CD1-CG1 3.72Å; F806-V822 HydrophobicContact CD2-CB 3.92Å; F806-V822 HydrophobicContact CD2-CG1 3.73Å; F806-V822 HydrophobicContact CD2-CG2 3.4Å; F806-V822 HydrophobicContact CE1-CG1 3.56Å; F806-V822 HydrophobicContact CE2-CB 3.63Å; F806-V822 HydrophobicContact CE2-CG1 3.49Å; F806-V822 VanDerWaalsContact CE2-CG1 3.49Å; F806-V822 HydrophobicContact CE2-CG2 3.59Å; F806-V822 HydrophobicContact CG-CB 4.41Å; F806-V822 HydrophobicContact CG-CG1 3.77Å; F806-V822 HydrophobicContact CG-CG2 3.98Å; F806-V822 HydrophobicContact CZ-CB 3.99Å; F806-V822 HydrophobicContact CZ-CG1 3.39Å; F806-V822 HydrophobicContact CZ-CG2 4.39Å; F806-F889 HydrophobicContact CD2-CD1 4.42Å; F806-F889 HydrophobicContact CD2-CE1 4.05Å; F806-F889 HydrophobicContact CE2-CD1 4.26Å; F806-F889 AromaticContact CE2-CE1 3.46Å; F806-F889 HydrophobicContact CE2-CE1 3.46Å; F806-F889 VanDerWaalsContact CE2-CE1 3.46Å; F806-F889 HydrophobicContact CE2-CZ 4.31Å; F806-F889 HydrophobicContact CZ-CE1 4.34Å; F806-A891 HydrophobicContact CD2-CB 4.46Å; F806-A891 HydrophobicContact CE1-CB 3.72Å; F806-A891 HydrophobicContact CE2-CB 3.51Å; F806-A891 HydrophobicContact CZ-CB 3.06Å
807	N	62.4	Low	55.9	Low	40 Å²	40	92.5 Å²	92.5	21%	0.214	47%	0.466	C	S	.	.			trans	-160.8	113.4	174	-179.2	-7.4	0	0	0	111.5	W804 N809 S810	W804-N807 PolarHBondContact NE1-O 3.26Å; N807-N809 PolarHBondContact O-N 3.4Å; N807-N809 VanDerWaalsContact O-N 3.14Å; N807-N809 WeakPolarHBondContact OD1-CB 3.2Å; N807-N809 PolarHBondContact OD1-N 2.63Å; N807-S810 WeakPolarHBondContact CB-OG 3.43Å; N807-S810 PolarHBondContact O-OG 2.85Å
808	K	52.9	Low	54.9	Low	175 Å²	175	85.3 Å²	85.3	76%	0.761	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.4	179.9	-69.7	-177.5	179.7	177.2	0	113.9
809	N	52.3	Low	54.3	Low	128 Å²	128	82.2 Å²	82.2	68%	0.684	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-26.7	-174.5	-67.2	-16.2	0	0	0	113.9	N807	N807-N809 PolarHBondContact O-N 3.4Å; N807-N809 VanDerWaalsContact O-N 3.14Å; N807-N809 WeakPolarHBondContact OD1-CB 3.2Å; N807-N809 PolarHBondContact OD1-N 2.63Å
810	S	51.1	Low	53.8	Low	5 Å²	5	80 Å²	80	4%	0.035	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-81.5	-18.1	-172.5	54.9	0	0	0	0	114.9	W804 N807 K812 E813	W804-S810 VanDerWaalsContact CZ2-OG 3.24Å; W804-S810 WeakPolarHBondContact CZ2-OG 3.36Å; W804-S810 PolarHBondContact NE1-OG 3.13Å; N807-S810 WeakPolarHBondContact CB-OG 3.43Å; N807-S810 PolarHBondContact O-OG 2.85Å; S810-K812 PolarHBondContact O-N 3.49Å; S810-K812 VanDerWaalsContact O-N 3.11Å; S810-E813 PolarHBondContact O-N 2.88Å; S810-E813 VanDerWaalsContact O-N 3.11Å
811	A	44.9	Very low	53.3	Low	24 Å²	24	71.2 Å²	71.2	20%	0.198	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-60.1	-22.8	175.5	0	0	0	0	0	112.7
812	K	44.5	Very low	52.6	Low	192 Å²	192	70 Å²	70	84%	0.835	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-84.5	-24.2	176.7	-74.4	-175.1	177.6	-179.9	0	114.4	S810 T814	S810-K812 PolarHBondContact O-N 3.49Å; S810-K812 VanDerWaalsContact O-N 3.11Å; K812-T814 VanDerWaalsContact C-N 3.35Å
813	E	46.3	Very low	52	Low	152 Å²	152	64.8 Å²	64.8	71%	0.71	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-12.4	-172.6	-70.6	-176.4	160.9	0	0	113.6	S810	S810-E813 PolarHBondContact O-N 2.88Å; S810-E813 VanDerWaalsContact O-N 3.11Å
814	T	47.2	Very low	51.2	Low	43 Å²	43	62 Å²	62	26%	0.264	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	13.7	-167.3	51.6	0	0	0	0	115.7	K812 G816 S817 A818 F820	K812-T814 VanDerWaalsContact C-N 3.35Å; T814-G816 PolarHBondContact O-N 3.01Å; T814-S817 PolarHBondContact O-N 2.61Å; T814-S817 VanDerWaalsContact O-N 3.11Å; T814-A818 HydrophobicContact CG2-CB 3.65Å; T814-F820 HydrophobicContact CG2-CE1 4.49Å
815	N	42.2	Very low	50.3	Low	155 Å²	155	62 Å²	62	83%	0.829	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.7	31.5	172.7	-104.8	-0.1	0	0	0	115.6	S817	N815-S817 PolarHBondContact O-N 2.7Å
816	G	38.9	Very low	49.1	Very low	36 Å²	36	62 Å²	62	37%	0.371	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	2.4	177.2	0	0	0	0	0	116.3	T814	T814-G816 PolarHBondContact O-N 3.01Å
817	S	40	Very low	48.3	Very low	98 Å²	98	61 Å²	61	69%	0.685	32%	0.321	S	S	*	.			trans	-108.4	5.6	-178	64.2	0	0	0	0	114	T814 N815 K819	T814-S817 PolarHBondContact O-N 2.61Å; T814-S817 VanDerWaalsContact O-N 3.11Å; N815-S817 PolarHBondContact O-N 2.7Å; S817-K819 PolarHBondContact O-N 3.5Å; S817-K819 VanDerWaalsContact O-N 3.15Å
818	A	43.2	Very low	47.4	Very low	16 Å²	16	66 Å²	66	13%	0.132	34%	0.343	C	S	.	.			trans	-70.9	115	-172.7	0	0	0	0	0	112.2	T814 F820	T814-A818 HydrophobicContact CG2-CB 3.65Å; A818-F820 HydrophobicContact CB-CD1 3.95Å; A818-F820 HydrophobicContact CB-CD2 4.19Å; A818-F820 HydrophobicContact CB-CE1 3.57Å; A818-F820 HydrophobicContact CB-CE2 3.79Å; A818-F820 HydrophobicContact CB-CG 4.27Å; A818-F820 HydrophobicContact CB-CZ 3.47Å; A818-F820 VanDerWaalsContact CB-CZ 3.47Å; A818-F820 WeakPolarHBondContact O-CD2 3.21Å; A818-F820 WeakPolarHBondContact O-CE2 3.33Å; A818-F820 PolarHBondContact O-N 3.41Å
819	K	49.6	Very low	46.9	Very low	107 Å²	107	59.1 Å²	59.1	47%	0.465	32%	0.323	S	S	.	.			trans	-66.4	104.4	147.4	-67.7	177.9	176.2	-157.4	0	105.8	T738 S817	T738-K819 HydrophobicContact CG2-CB 4.19Å; T738-K819 HydrophobicContact CG2-CD 3.7Å; T738-K819 HydrophobicContact CG2-CG 4.05Å; T738-K819 WeakPolarHBondContact OG1-CD 3.47Å; T738-K819 WeakPolarHBondContact OG1-CE 3.18Å; T738-K819 PolarHBondContact OG1-NZ 3.39Å; S817-K819 PolarHBondContact O-N 3.5Å; S817-K819 VanDerWaalsContact O-N 3.15Å
820	F	52.7	Low	46.7	Very low	16 Å²	16	57 Å²	57	7%	0.07	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	132.8	-179.2	-62.7	-83.1	0	0	0	108.7	F792 I793 L801 W804 T814 A818	F792-F820 VanDerWaalsContact CA-O 3.27Å; F792-F820 WeakPolarHBondContact CA-O 3.48Å; I793-F820 HydrophobicContact CB-CB 4.29Å; I793-F820 HydrophobicContact CB-CD2 4.12Å; I793-F820 PolarHBondContact N-O 2.98Å; I793-F820 PolarHBondContact O-N 3.2Å; L801-F820 HydrophobicContact CB-CE2 3.65Å; L801-F820 HydrophobicContact CB-CZ 3.95Å; L801-F820 HydrophobicContact CD2-CD1 4.18Å; L801-F820 HydrophobicContact CD2-CD2 3.7Å; L801-F820 HydrophobicContact CD2-CE1 3.86Å; L801-F820 HydrophobicContact CD2-CE2 3.35Å; L801-F820 HydrophobicContact CD2-CG 4.1Å; L801-F820 HydrophobicContact CD2-CZ 3.43Å; L801-F820 VanDerWaalsContact CD2-CZ 3.43Å; L801-F820 HydrophobicContact CG-CE2 4.12Å; L801-F820 HydrophobicContact CG-CZ 4.29Å; W804-F820 HydrophobicContact CE3-CD1 4.11Å; W804-F820 HydrophobicContact CE3-CG 4.42Å; W804-F820 HydrophobicContact CH2-CB 4.29Å; W804-F820 AromaticContact CH2-CD1 3.35Å; W804-F820 HydrophobicContact CH2-CD1 3.35Å; W804-F820 HydrophobicContact CH2-CE1 4.08Å; W804-F820 HydrophobicContact CH2-CG 4.18Å; W804-F820 AromaticContact CZ2-CD1 3.98Å; W804-F820 HydrophobicContact CZ2-CD1 3.98Å; W804-F820 HydrophobicContact CZ2-CE1 4.26Å; W804-F820 HydrophobicContact CZ3-CB 3.74Å; W804-F820 AromaticContact CZ3-CD1 3.42Å; W804-F820 HydrophobicContact CZ3-CD1 3.42Å; W804-F820 VanDerWaalsContact CZ3-CD1 3.42Å; W804-F820 HydrophobicContact CZ3-CE1 4.3Å; W804-F820 AromaticContact CZ3-CG 3.81Å; W804-F820 HydrophobicContact CZ3-CG 3.81Å; T814-F820 HydrophobicContact CG2-CE1 4.49Å; A818-F820 HydrophobicContact CB-CD1 3.95Å; A818-F820 HydrophobicContact CB-CD2 4.19Å; A818-F820 HydrophobicContact CB-CE1 3.57Å; A818-F820 HydrophobicContact CB-CE2 3.79Å; A818-F820 HydrophobicContact CB-CG 4.27Å; A818-F820 HydrophobicContact CB-CZ 3.47Å; A818-F820 VanDerWaalsContact CB-CZ 3.47Å; A818-F820 WeakPolarHBondContact O-CD2 3.21Å; A818-F820 WeakPolarHBondContact O-CE2 3.33Å; A818-F820 PolarHBondContact O-N 3.41Å
821	V	51.5	Low	46.7	Very low	1 Å²	1	58.5 Å²	58.5	1%	0.006	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	115	166.1	-169.6	0	0	0	0	105.5	F162 V163 Y739 P747 V791 F792	F162-V821 HydrophobicContact CB-CB 3.74Å; F162-V821 HydrophobicContact CB-CG2 4.38Å; V163-V821 PolarHBondContact N-O 3.22Å; Y739-V821 HydrophobicContact CE2-CG2 4.45Å; P747-V821 HydrophobicContact CB-CG1 4.48Å; P747-V821 HydrophobicContact CB-CG2 4.06Å; P747-V821 HydrophobicContact CG-CG1 4.44Å; V791-V821 VanDerWaalsContact O-CA 3.31Å; V791-V821 WeakPolarHBondContact O-CA 3.3Å; F792-V821 HydrophobicContact CD1-CB 4.37Å; F792-V821 HydrophobicContact CD1-CG1 4.32Å; F792-V821 HydrophobicContact CD1-CG2 3.57Å; F792-V821 HydrophobicContact CE1-CB 4Å; F792-V821 HydrophobicContact CE1-CG1 3.64Å; F792-V821 HydrophobicContact CE1-CG2 3.25Å; F792-V821 HydrophobicContact CE2-CG1 4.34Å; F792-V821 HydrophobicContact CZ-CG1 3.67Å; F792-V821 HydrophobicContact CZ-CG2 4.17Å
822	V	51.9	Low	47.4	Very low	3 Å²	3	65.7 Å²	65.7	2%	0.018	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	107.7	168.3	-179.6	0	0	0	0	106.8	V163 C165 C790 V791 W804 F806	V163-V822 WeakPolarHBondContact O-CA 3.29Å; C165-V822 HydrophobicContact CB-CG1 4.08Å; C790-V822 CarbonylContact C-O 3.58Å; C790-V822 VanDerWaalsContact CA-O 3.25Å; C790-V822 WeakPolarHBondContact CA-O 3.35Å; V791-V822 HydrophobicContact CB-CB 4.48Å; V791-V822 PolarHBondContact N-O 3.25Å; V791-V822 PolarHBondContact O-N 3.04Å; V791-V822 VanDerWaalsContact O-N 3.14Å; W804-V822 HydrophobicContact CE3-CG2 4.08Å; W804-V822 HydrophobicContact CH2-CG2 3.84Å; W804-V822 HydrophobicContact CZ3-CG2 3.31Å; F806-V822 HydrophobicContact CB-CG2 4.39Å; F806-V822 HydrophobicContact CD1-CG1 3.72Å; F806-V822 HydrophobicContact CD2-CB 3.92Å; F806-V822 HydrophobicContact CD2-CG1 3.73Å; F806-V822 HydrophobicContact CD2-CG2 3.4Å; F806-V822 HydrophobicContact CE1-CG1 3.56Å; F806-V822 HydrophobicContact CE2-CB 3.63Å; F806-V822 HydrophobicContact CE2-CG1 3.49Å; F806-V822 VanDerWaalsContact CE2-CG1 3.49Å; F806-V822 HydrophobicContact CE2-CG2 3.59Å; F806-V822 HydrophobicContact CG-CB 4.41Å; F806-V822 HydrophobicContact CG-CG1 3.77Å; F806-V822 HydrophobicContact CG-CG2 3.98Å; F806-V822 HydrophobicContact CZ-CB 3.99Å; F806-V822 HydrophobicContact CZ-CG1 3.39Å; F806-V822 HydrophobicContact CZ-CG2 4.39Å
823	A	50.8	Low	48.3	Very low	8 Å²	8	59.3 Å²	59.3	7%	0.066	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	108.5	166.2	0	0	0	0	0	106.5	C165 M789	C165-A823 CarbonylContact C-O 3.55Å; C165-A823 PolarHBondContact N-O 3.44Å; M789-A823 CarbonylContact O-C 3.12Å; M789-A823 WeakPolarHBondContact O-CA 3.32Å
824	S	48.3	Very low	49.5	Very low	11 Å²	11	52.3 Å²	52.3	8%	0.077	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	133.1	168.8	-168.9	0	0	0	0	108.7	C165 H788 M789 F826	C165-S824 VanDerWaalsContact O-CA 3.26Å; C165-S824 WeakPolarHBondContact O-CA 3.32Å; H788-S824 CarbonylContact C-O 3.55Å; H788-S824 VanDerWaalsContact CA-O 3.22Å; H788-S824 WeakPolarHBondContact CA-O 3.41Å; M789-S824 PolarHBondContact N-O 2.98Å; M789-S824 PolarHBondContact O-N 3.24Å; S824-F826 WeakPolarHBondContact OG-CD2 3.02Å; S824-F826 WeakPolarHBondContact OG-CE2 3.05Å
825	Q	50.9	Low	51	Low	4 Å²	4	54.3 Å²	54.3	2%	0.019	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	109.7	178.2	-69.6	166.9	-4.6	0	0	110.1	C165 Q167 N239 D787	C165-Q825 PolarHBondContact O-N 2.96Å; Q167-Q825 PolarHBondContact N-O 2.98Å; N239-Q825 VanDerWaalsContact CB-CD 3.48Å; N239-Q825 VanDerWaalsContact CG-CD 3.43Å; N239-Q825 PolarHBondContact ND2-NE2 3.19Å; N239-Q825 VanDerWaalsContact ND2-NE2 3.18Å; N239-Q825 PolarHBondContact ND2-OE1 3.37Å; N239-Q825 PolarHBondContact O-NE2 2.04Å; N239-Q825 PolarHBondContact O-OE1 3.38Å; D787-Q825 CarbonylContact O-C 3.48Å; D787-Q825 WeakPolarHBondContact O-CA 3.4Å
826	F	44.4	Very low	52.9	Low	56 Å²	56	49.3 Å²	49.3	25%	0.246	27%	0.269	C	S	.	.			trans	-117.6	160	163.7	-59.4	-112.5	0	0	0	106.6	Q167 D787 S824	Q167-F826 HydrophobicContact CB-CD1 3.59Å; Q167-F826 HydrophobicContact CB-CD2 4.42Å; Q167-F826 HydrophobicContact CB-CE1 3.37Å; Q167-F826 HydrophobicContact CB-CE2 4.18Å; Q167-F826 HydrophobicContact CB-CG 4.12Å; Q167-F826 HydrophobicContact CB-CZ 3.63Å; Q167-F826 HydrophobicContact CG-CD1 3.65Å; Q167-F826 HydrophobicContact CG-CE1 3.34Å; Q167-F826 HydrophobicContact CG-CZ 4.02Å; D787-F826 CarbonylContact C-O 3.57Å; D787-F826 VanDerWaalsContact CB-C 3.46Å; D787-F826 HydrophobicContact CB-CB 3.71Å; D787-F826 VanDerWaalsContact CB-O 3.23Å; D787-F826 WeakPolarHBondContact CB-O 3.25Å; D787-F826 WeakPolarHBondContact O-CA 3.42Å; D787-F826 WeakPolarHBondContact O-CB 3.48Å; D787-F826 WeakPolarHBondContact O-CD2 3.36Å; D787-F826 PolarHBondContact O-N 2.86Å; D787-F826 VanDerWaalsContact OD1-CB 3.3Å; D787-F826 WeakPolarHBondContact OD1-CB 3.29Å; S824-F826 WeakPolarHBondContact OG-CD2 3.02Å; S824-F826 WeakPolarHBondContact OG-CE2 3.05Å
827	V	48.2	Very low	54.8	Low	10 Å²	10	47.6 Å²	47.6	6%	0.061	25%	0.252	C	S	.	.			trans	-145.3	74.5	-144.2	154.6	0	0	0	0	111.2	G100 E105 D787	G100-V827 VanDerWaalsContact CA-CB 3.43Å; G100-V827 VanDerWaalsContact CA-CG2 3.47Å; G100-V827 CarbonylContact O-C 3.59Å; E105-V827 HydrophobicContact CG-CG1 3.14Å; E105-V827 WeakPolarHBondContact OE1-CG1 3.32Å; D787-V827 PolarHBondContact OD2-N 3.13Å
828	H	42.7	Very low	56.7	Low	145 Å²	145	48.5 Å²	48.5	67%	0.671	24%	0.24	S	C	*	.			trans	-146.1	109.9	162.5	-60.9	89.5	0	0	0	112.5	G100 D787	G100-H828 WeakPolarHBondContact O-CA 3.2Å; G100-H828 PolarHBondContact O-N 2.92Å; D787-H828 PolarHBondContact OD2-N 3.44Å; D787-H828 IonicContact OD2-ND1 2.85Å
829	G	43.7	Very low	58.7	Low	32 Å²	32	51.7 Å²	51.7	33%	0.33	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	177.7	148.5	168	0	0	0	0	0	115.9	G100	G100-G829 PolarHBondContact O-N 3.13Å
830	V	47.8	Very low	60.4	Low	82 Å²	82	46.6 Å²	46.6	50%	0.497	24%	0.236	S	C	.	.			trans	-84.4	138.5	173.4	177.6	0	0	0	0	109.5	R832	V830-R832 WeakPolarHBondContact O-CG 3.31Å; V830-R832 PolarHBondContact O-N 3.29Å
831	L	51.8	Low	61.8	Low	37 Å²	37	47.4 Å²	47.4	19%	0.194	24%	0.24	C	C	.	.			trans	-58.8	111.3	173.5	-100.6	130.3	0	0	0	110.9	P98 V871	P98-L831 HydrophobicContact CG-CD1 3.91Å; L831-V871 VanDerWaalsContact CA-CG1 3.46Å; L831-V871 HydrophobicContact CB-CG1 4.05Å; L831-V871 HydrophobicContact CD2-CG1 3.71Å; L831-V871 HydrophobicContact CG-CG1 3.75Å
832	R	57.8	Low	63.3	Low	176 Å²	176	52.4 Å²	52.4	66%	0.664	26%	0.264	S	S	*	.			trans	-122.4	83.2	-175.5	-75.6	-172.5	-179.1	-164.5	2.3	114	V830 S834 N868 V871	V830-R832 WeakPolarHBondContact O-CG 3.31Å; V830-R832 PolarHBondContact O-N 3.29Å; R832-S834 PolarHBondContact O-N 3.34Å; R832-N868 PolarHBondContact O-ND2 3.33Å; R832-V871 HydrophobicContact CB-CG2 4.26Å; R832-V871 VanDerWaalsContact N-CG1 3.27Å; R832-V871 WeakPolarHBondContact O-CG2 3.12Å
833	Y	65.3	Low	64.9	Low	58 Å²	58	55.6 Å²	55.6	23%	0.227	28%	0.277	C	S	.	.			trans	-53.2	138.4	168.3	-53.5	-74.1	0	0	0	111.4	L837 A866	Y833-L837 HydrophobicContact CD1-CD2 4.01Å; Y833-L837 HydrophobicContact CD1-CG 4.2Å; Y833-A866 HydrophobicContact CE1-CB 4.15Å; Y833-A866 WeakPolarHBondContact CE1-O 3.32Å
834	S	71.5	Confident	66.4	Low	5 Å²	5	55.4 Å²	55.4	4%	0.035	28%	0.275	C	S	.	.			trans	-57.4	153.6	166.6	58	0	0	0	0	108.1	H687 R832 Q836 L837 R838 N868	H687-S834 WeakPolarHBondContact ND1-CB 3.35Å; H687-S834 PolarHBondContact ND1-OG 3.05Å; R832-S834 PolarHBondContact O-N 3.34Å; S834-Q836 PolarHBondContact O-N 2.9Å; S834-L837 PolarHBondContact O-N 3.46Å; S834-L837 WeakPolarHBondContact OG-CB 3.41Å; S834-L837 PolarHBondContact OG-N 3.14Å; S834-L837 VanDerWaalsContact OG-N 3.08Å; S834-R838 VanDerWaalsContact O-CB 3.32Å; S834-R838 WeakPolarHBondContact O-CB 3.38Å; S834-R838 PolarHBondContact O-N 3.35Å; S834-N868 VanDerWaalsContact N-CG 3.35Å; S834-N868 PolarHBondContact N-ND2 2.86Å; S834-N868 PolarHBondContact N-OD1 3.42Å; S834-N868 PolarHBondContact OG-OD1 2.84Å
835	S	77.3	Confident	67.9	Low	85 Å²	85	58.6 Å²	58.6	59%	0.594	29%	0.289	S	S	*	.	H	α-helix	trans	-51	-46.7	177	47.2	0	0	0	0	110.9	R838 T839	S835-R838 PolarHBondContact O-N 3.44Å; S835-T839 WeakPolarHBondContact O-CB 3.36Å; S835-T839 PolarHBondContact O-N 2.85Å; S835-T839 PolarHBondContact O-OG1 2.83Å
836	Q	81.8	Confident	69.3	Low	49 Å²	49	62.6 Å²	62.6	23%	0.229	31%	0.313	C	S	.	.	H	α-helix	trans	-62	-48.8	177.9	-62.6	-173.6	-42.7	0	0	113.1	M762 E763 S834 R838 T839 L840	M762-Q836 HydrophobicContact CE-CB 3.55Å; M762-Q836 HydrophobicContact CE-CG 4.47Å; E763-Q836 PolarHBondContact OE1-NE2 3.41Å; E763-Q836 VanDerWaalsContact OE1-NE2 3.15Å; S834-Q836 PolarHBondContact O-N 2.9Å; Q836-R838 VanDerWaalsContact C-N 3.32Å; Q836-R838 PolarHBondContact O-N 3.16Å; Q836-T839 PolarHBondContact O-N 3Å; Q836-L840 PolarHBondContact O-N 2.99Å
837	L	80.2	Confident	71	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.7	-37.5	178.9	-174.5	59.4	0	0	0	111.5	M685 H687 L706 Y833 S834 L840 M841 A866 W867 N868	M685-L837 HydrophobicContact CB-CD1 4.27Å; M685-L837 HydrophobicContact SD-CD1 4.2Å; H687-L837 HydrophobicContact CB-CD2 4.22Å; L706-L837 HydrophobicContact CD1-CD1 3.95Å; Y833-L837 HydrophobicContact CD1-CD2 4.01Å; Y833-L837 HydrophobicContact CD1-CG 4.2Å; S834-L837 PolarHBondContact O-N 3.46Å; S834-L837 WeakPolarHBondContact OG-CB 3.41Å; S834-L837 PolarHBondContact OG-N 3.14Å; S834-L837 VanDerWaalsContact OG-N 3.08Å; L837-L840 PolarHBondContact O-N 3.18Å; L837-M841 HydrophobicContact CD1-CG 4.42Å; L837-M841 HydrophobicContact CG-CG 4.44Å; L837-M841 WeakPolarHBondContact O-CB 3.49Å; L837-M841 WeakPolarHBondContact O-CG 3.17Å; L837-M841 PolarHBondContact O-N 2.9Å; L837-A866 HydrophobicContact CD1-CB 4.26Å; L837-A866 HydrophobicContact CD2-CB 4.22Å; L837-A866 HydrophobicContact CG-CB 4.39Å; L837-W867 WeakPolarHBondContact CD2-O 3.47Å; L837-N868 WeakPolarHBondContact CD2-OD1 3.45Å
838	R	79.6	Confident	72.5	Confident	118 Å²	118	61.3 Å²	61.3	45%	0.445	31%	0.308	S	S	.	.	H	α-helix	trans	-61.4	-49.2	175.2	-168.8	-177.2	-59.9	-173.6	0	110.9	S834 S835 Q836 L840 M841 E842	S834-R838 VanDerWaalsContact O-CB 3.32Å; S834-R838 WeakPolarHBondContact O-CB 3.38Å; S834-R838 PolarHBondContact O-N 3.35Å; S835-R838 PolarHBondContact O-N 3.44Å; Q836-R838 VanDerWaalsContact C-N 3.32Å; Q836-R838 PolarHBondContact O-N 3.16Å; R838-L840 VanDerWaalsContact C-N 3.31Å; R838-L840 PolarHBondContact O-N 3Å; R838-M841 PolarHBondContact O-N 2.77Å; R838-E842 WeakPolarHBondContact CD-OE1 3.49Å; R838-E842 HydrophobicContact CG-CG 4.39Å; R838-E842 WeakPolarHBondContact CG-OE1 3.02Å; R838-E842 WeakPolarHBondContact O-CB 3.48Å; R838-E842 WeakPolarHBondContact O-CG 3.24Å; R838-E842 PolarHBondContact O-N 3.18Å
839	T	85.4	Confident	74.1	Confident	82 Å²	82	58 Å²	58	50%	0.503	30%	0.295	S	S	.	.	H	α-helix	trans	-60.5	-41.2	177.8	-60.7	0	0	0	0	111.4	S835 Q836 K843	S835-T839 WeakPolarHBondContact O-CB 3.36Å; S835-T839 PolarHBondContact O-N 2.85Å; S835-T839 PolarHBondContact O-OG1 2.83Å; Q836-T839 PolarHBondContact O-N 3Å; T839-K843 VanDerWaalsContact O-CB 3.23Å; T839-K843 WeakPolarHBondContact O-CB 3.32Å; T839-K843 PolarHBondContact O-N 2.92Å
840	L	85	Confident	75.6	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.7	-46.1	174.9	179	57.1	0	0	0	111.7	M685 L706 Y722 E724 Q836 L837 R838 K843 I844	M685-L840 HydrophobicContact CE-CD2 4.12Å; M685-L840 HydrophobicContact SD-CD2 3.67Å; M685-L840 HydrophobicContact SD-CG 4.44Å; L706-L840 HydrophobicContact CD2-CD2 3.94Å; Y722-L840 HydrophobicContact CD1-CD1 4.02Å; Y722-L840 HydrophobicContact CG-CD1 3.98Å; E724-L840 HydrophobicContact CB-CD2 3.99Å; E724-L840 HydrophobicContact CG-CD2 4.25Å; Q836-L840 PolarHBondContact O-N 2.99Å; L837-L840 PolarHBondContact O-N 3.18Å; R838-L840 VanDerWaalsContact C-N 3.31Å; R838-L840 PolarHBondContact O-N 3Å; L840-K843 WeakPolarHBondContact O-CB 3.36Å; L840-K843 PolarHBondContact O-N 2.87Å; L840-I844 HydrophobicContact CD1-CD1 4.01Å; L840-I844 HydrophobicContact CD1-CG1 4.29Å; L840-I844 HydrophobicContact CG-CD1 4.02Å; L840-I844 VanDerWaalsContact O-CG1 3.29Å; L840-I844 WeakPolarHBondContact O-CG1 3.48Å; L840-I844 PolarHBondContact O-N 3.39Å
841	M	80.9	Confident	76.6	Confident	33 Å²	33	55.4 Å²	55.4	16%	0.163	28%	0.276	C	S	.	.	H	α-helix	trans	-62.4	-44.8	177.5	-72.8	-65.2	-71.8	0	0	112.3	L837 R838 K843 I844 H845 V864 A866	L837-M841 HydrophobicContact CD1-CG 4.42Å; L837-M841 HydrophobicContact CG-CG 4.44Å; L837-M841 WeakPolarHBondContact O-CB 3.49Å; L837-M841 WeakPolarHBondContact O-CG 3.17Å; L837-M841 PolarHBondContact O-N 2.9Å; R838-M841 PolarHBondContact O-N 2.77Å; M841-K843 VanDerWaalsContact C-N 3.32Å; M841-K843 PolarHBondContact O-N 2.77Å; M841-I844 PolarHBondContact O-N 3.25Å; M841-H845 WeakPolarHBondContact O-CB 3.13Å; M841-H845 PolarHBondContact O-N 2.86Å; M841-V864 HydrophobicContact CE-CB 3.88Å; M841-V864 HydrophobicContact CE-CG1 4.1Å; M841-V864 HydrophobicContact SD-CB 3.6Å; M841-V864 VanDerWaalsContact SD-CB 3.6Å; M841-V864 HydrophobicContact SD-CG1 3.38Å; M841-V864 WeakPolarHBondContact SD-CG1 3.34Å; M841-V864 HydrophobicContact SD-CG2 4.31Å; M841-A866 HydrophobicContact CE-CB 3.86Å; M841-A866 HydrophobicContact CG-CB 4Å; M841-A866 HydrophobicContact SD-CB 3.49Å; M841-A866 WeakPolarHBondContact SD-CB 3.34Å
842	E	83.1	Confident	77.1	Confident	107 Å²	107	57.3 Å²	57.3	50%	0.5	29%	0.285	S	S	.	.	H	α-helix	trans	-62.5	-39.1	175.3	-75	171.3	-176.8	0	0	111.5	R838 H845 T846	R838-E842 WeakPolarHBondContact CD-OE1 3.49Å; R838-E842 HydrophobicContact CG-CG 4.39Å; R838-E842 WeakPolarHBondContact CG-OE1 3.02Å; R838-E842 WeakPolarHBondContact O-CB 3.48Å; R838-E842 WeakPolarHBondContact O-CG 3.24Å; R838-E842 PolarHBondContact O-N 3.18Å; E842-H845 PolarHBondContact O-N 2.85Å; E842-T846 VanDerWaalsContact O-CB 3.27Å; E842-T846 WeakPolarHBondContact O-CB 3.28Å; E842-T846 PolarHBondContact O-N 2.84Å; E842-T846 PolarHBondContact O-OG1 3.32Å
843	K	85.7	Confident	77.2	Confident	70 Å²	70	56.8 Å²	56.8	30%	0.304	29%	0.29	S	S	.	.	H	α-helix	trans	-65	-45.2	175.5	-171.5	-179.2	179.3	176.8	0	111.3	Y722 D723 T839 L840 M841 H845 T846 D847	Y722-K843 HydrophobicContact CD1-CD 4Å; Y722-K843 HydrophobicContact CD1-CG 4.39Å; Y722-K843 HydrophobicContact CE1-CD 4.12Å; Y722-K843 HydrophobicContact CE1-CG 4.01Å; D723-K843 IonicContact OD2-NZ 2.76Å; T839-K843 VanDerWaalsContact O-CB 3.23Å; T839-K843 WeakPolarHBondContact O-CB 3.32Å; T839-K843 PolarHBondContact O-N 2.92Å; L840-K843 WeakPolarHBondContact O-CB 3.36Å; L840-K843 PolarHBondContact O-N 2.87Å; M841-K843 VanDerWaalsContact C-N 3.32Å; M841-K843 PolarHBondContact O-N 2.77Å; K843-H845 VanDerWaalsContact C-N 3.35Å; K843-T846 PolarHBondContact O-N 2.83Å; K843-D847 WeakPolarHBondContact O-CB 3.39Å; K843-D847 VanDerWaalsContact O-CG 3.29Å; K843-D847 PolarHBondContact O-N 3.39Å
844	I	82.4	Confident	76.8	Confident	3 Å²	3	59 Å²	59	2%	0.015	31%	0.306	C	S	.	.	H	α-helix	trans	-61.8	-44.8	175.4	-68.1	168.7	0	0	0	110.7	M685 Y722 L840 M841 R848 L862 V864	M685-I844 HydrophobicContact CE-CD1 3.74Å; Y722-I844 HydrophobicContact CD1-CG1 4.45Å; Y722-I844 HydrophobicContact CD2-CD1 4.47Å; Y722-I844 HydrophobicContact CD2-CG1 4.2Å; Y722-I844 HydrophobicContact CE1-CG1 3.94Å; Y722-I844 HydrophobicContact CE2-CD1 4.25Å; Y722-I844 HydrophobicContact CE2-CG1 3.64Å; Y722-I844 VanDerWaalsContact CZ-CG1 3.5Å; L840-I844 HydrophobicContact CD1-CD1 4.01Å; L840-I844 HydrophobicContact CD1-CG1 4.29Å; L840-I844 HydrophobicContact CG-CD1 4.02Å; L840-I844 VanDerWaalsContact O-CG1 3.29Å; L840-I844 WeakPolarHBondContact O-CG1 3.48Å; L840-I844 PolarHBondContact O-N 3.39Å; M841-I844 PolarHBondContact O-N 3.25Å; I844-R848 VanDerWaalsContact O-CB 3.31Å; I844-R848 WeakPolarHBondContact O-CB 3.45Å; I844-R848 PolarHBondContact O-N 3.22Å; I844-L862 HydrophobicContact CG2-CB 4.39Å; I844-V864 HydrophobicContact CD1-CG2 3.78Å; I844-V864 HydrophobicContact CG2-CG2 3.94Å
845	H	79.6	Confident	75.8	Confident	78 Å²	78	66.3 Å²	66.3	36%	0.361	34%	0.344	S	S	.	.	H	α-helix	trans	-61.6	-45.9	177.1	-172.8	87.8	0	0	0	111.9	M841 E842 K843 R848 L849	M841-H845 WeakPolarHBondContact O-CB 3.13Å; M841-H845 PolarHBondContact O-N 2.86Å; E842-H845 PolarHBondContact O-N 2.85Å; K843-H845 VanDerWaalsContact C-N 3.35Å; H845-R848 PolarHBondContact ND1-NH2 3.24Å; H845-R848 WeakPolarHBondContact O-CB 3.24Å; H845-R848 PolarHBondContact O-N 3.2Å; H845-L849 WeakPolarHBondContact NE2-CD1 3.43Å; H845-L849 WeakPolarHBondContact O-CG 3.34Å; H845-L849 PolarHBondContact O-N 3.48Å
846	T	81.9	Confident	74.5	Confident	88 Å²	88	66.9 Å²	66.9	54%	0.54	35%	0.348	S	S	.	.	H	α-helix	trans	-65.2	-46.5	179.2	-57.7	0	0	0	0	111.5	E842 K843 R848 L849 S850	E842-T846 VanDerWaalsContact O-CB 3.27Å; E842-T846 WeakPolarHBondContact O-CB 3.28Å; E842-T846 PolarHBondContact O-N 2.84Å; E842-T846 PolarHBondContact O-OG1 3.32Å; K843-T846 PolarHBondContact O-N 2.83Å; T846-R848 PolarHBondContact O-N 3.41Å; T846-L849 PolarHBondContact O-N 3.26Å; T846-S850 WeakPolarHBondContact O-CB 3.3Å; T846-S850 PolarHBondContact O-N 3.07Å
847	D	79.7	Confident	73.3	Confident	33 Å²	33	67.5 Å²	67.5	18%	0.176	35%	0.353	C	S	.	.	H	α-helix	trans	-57.7	-40.9	175.2	-78.8	-8.6	0	0	0	110.5	Y722 K843 S850 S851	Y722-D847 WeakPolarHBondContact CE1-OD2 3.49Å; Y722-D847 PolarHBondContact OH-OD2 3.21Å; K843-D847 WeakPolarHBondContact O-CB 3.39Å; K843-D847 VanDerWaalsContact O-CG 3.29Å; K843-D847 PolarHBondContact O-N 3.39Å; D847-S850 PolarHBondContact O-N 2.91Å; D847-S850 PolarHBondContact O-OG 2.86Å; D847-S851 PolarHBondContact O-N 3.47Å; D847-S851 VanDerWaalsContact O-N 3.16Å
848	R	80.3	Confident	72.2	Confident	6 Å²	6	71.8 Å²	71.8	2%	0.023	37%	0.369	C	S	.	.	H	α-helix	trans	-64	-48.7	176.8	-178.2	174.5	62.2	-150.3	3.9	112.9	E335 Y673 I844 H845 T846 S850 S851 S860 L862	E335-R848 IonicContact OE1-CZ 3.77Å; E335-R848 IonicContact OE1-NH1 3.19Å; E335-R848 PolarHBondContact OE1-NH1 3.18Å; E335-R848 IonicContact OE1-NH2 3.95Å; E335-R848 PolarHBondContact OE1-NH2 3.1Å; E335-R848 IonicContact OE2-CZ 3.41Å; E335-R848 IonicContact OE2-NH1 3.5Å; E335-R848 IonicContact OE2-NH2 2.82Å; E335-R848 PolarHBondContact OE2-NH2 3.1Å; Y673-R848 HydrophobicContact CD1-CG 3.65Å; Y673-R848 HydrophobicContact CD2-CG 3.93Å; Y673-R848 HydrophobicContact CE1-CG 3.43Å; Y673-R848 VanDerWaalsContact CE1-CG 3.43Å; Y673-R848 WeakPolarHBondContact CE1-O 3.5Å; Y673-R848 HydrophobicContact CE2-CG 3.73Å; Y673-R848 HydrophobicContact CG-CG 3.89Å; Y673-R848 VanDerWaalsContact CZ-CG 3.46Å; I844-R848 VanDerWaalsContact O-CB 3.31Å; I844-R848 WeakPolarHBondContact O-CB 3.45Å; I844-R848 PolarHBondContact O-N 3.22Å; H845-R848 PolarHBondContact ND1-NH2 3.24Å; H845-R848 WeakPolarHBondContact O-CB 3.24Å; H845-R848 PolarHBondContact O-N 3.2Å; T846-R848 PolarHBondContact O-N 3.41Å; R848-S850 VanDerWaalsContact C-N 3.32Å; R848-S850 PolarHBondContact O-N 3.46Å; R848-S851 PolarHBondContact O-N 3.41Å; R848-S851 PolarHBondContact O-OG 3.09Å; R848-S860 WeakPolarHBondContact CG-O 3.29Å; R848-L862 PolarHBondContact NH1-O 3.41Å
849	L	76.3	Confident	71.1	Confident	76 Å²	76	69.1 Å²	69.1	40%	0.398	36%	0.361	S	S	.	.	H	α-helix	trans	-61.8	-39.6	176.1	-69.4	-179.9	0	0	0	112.2	H845 T846 S851 I852	H845-L849 WeakPolarHBondContact NE2-CD1 3.43Å; H845-L849 WeakPolarHBondContact O-CG 3.34Å; H845-L849 PolarHBondContact O-N 3.48Å; T846-L849 PolarHBondContact O-N 3.26Å; L849-S851 PolarHBondContact O-N 2.92Å; L849-I852 HydrophobicContact CD2-CD1 4.1Å; L849-I852 WeakPolarHBondContact O-CB 3.33Å; L849-I852 VanDerWaalsContact O-CG1 3.3Å; L849-I852 WeakPolarHBondContact O-CG1 3.37Å; L849-I852 PolarHBondContact O-N 2.82Å
850	S	73.9	Confident	69.7	Low	52 Å²	52	65.5 Å²	65.5	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-63.4	-29.9	178.4	78.6	0	0	0	0	113	T846 D847 R848 I852 H853	T846-S850 WeakPolarHBondContact O-CB 3.3Å; T846-S850 PolarHBondContact O-N 3.07Å; D847-S850 PolarHBondContact O-N 2.91Å; D847-S850 PolarHBondContact O-OG 2.86Å; R848-S850 VanDerWaalsContact C-N 3.32Å; R848-S850 PolarHBondContact O-N 3.46Å; S850-I852 PolarHBondContact O-N 3.16Å; S850-H853 PolarHBondContact O-N 3.21Å
851	S	69.5	Low	68.9	Low	8 Å²	8	67.2 Å²	67.2	6%	0.056	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-15.7	-179.4	77.6	0	0	0	0	114.5	D847 R848 L849 H853 N854 S860	D847-S851 PolarHBondContact O-N 3.47Å; D847-S851 VanDerWaalsContact O-N 3.16Å; R848-S851 PolarHBondContact O-N 3.41Å; R848-S851 PolarHBondContact O-OG 3.09Å; L849-S851 PolarHBondContact O-N 2.92Å; S851-H853 PolarHBondContact O-N 3.31Å; S851-N854 WeakPolarHBondContact CA-O 3.38Å; S851-N854 CarbonylContact O-C 3.46Å; S851-N854 VanDerWaalsContact O-C 3.24Å; S851-N854 PolarHBondContact O-N 3.03Å; S851-N854 VanDerWaalsContact O-O 3.09Å; S851-S860 WeakPolarHBondContact CB-OG 3.09Å; S851-S860 WeakPolarHBondContact OG-CB 3.09Å; S851-S860 PolarHBondContact OG-OG 2.99Å
852	I	62.9	Low	68.4	Low	77 Å²	77	65.8 Å²	65.8	40%	0.395	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.3	173.7	-61.1	173.1	0	0	0	110.1	Y673 L675 L849 S850	Y673-I852 HydrophobicContact CD1-CG1 4.29Å; Y673-I852 HydrophobicContact CE1-CD1 3.98Å; Y673-I852 HydrophobicContact CE1-CG1 3.61Å; L675-I852 HydrophobicContact CD1-CD1 3.74Å; L675-I852 HydrophobicContact CG-CD1 4.25Å; L849-I852 HydrophobicContact CD2-CD1 4.1Å; L849-I852 WeakPolarHBondContact O-CB 3.33Å; L849-I852 VanDerWaalsContact O-CG1 3.3Å; L849-I852 WeakPolarHBondContact O-CG1 3.37Å; L849-I852 PolarHBondContact O-N 2.82Å; S850-I852 PolarHBondContact O-N 3.16Å
853	H	58.9	Low	67.6	Low	165 Å²	165	60.9 Å²	60.9	76%	0.764	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-17.7	179.7	-61.5	-61	0	0	0	113.7	S850 S851	S850-H853 PolarHBondContact O-N 3.21Å; S851-H853 PolarHBondContact O-N 3.31Å
854	N	56.7	Low	66.7	Low	105 Å²	105	57.7 Å²	57.7	56%	0.561	30%	0.302	S	S	*	.			trans	-133.5	101.1	179.8	-92.5	-28.1	0	0	0	110.5	S851 S856	S851-N854 WeakPolarHBondContact CA-O 3.38Å; S851-N854 CarbonylContact O-C 3.46Å; S851-N854 VanDerWaalsContact O-C 3.24Å; S851-N854 PolarHBondContact O-N 3.03Å; S851-N854 VanDerWaalsContact O-O 3.09Å; N854-S856 PolarHBondContact O-N 3.05Å
855	N	51.5	Low	65.8	Low	157 Å²	157	59 Å²	59	84%	0.84	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	1.8	-179.6	-89.8	-25.7	0	0	0	115.8
856	S	50.2	Low	64.7	Low	97 Å²	97	55.2 Å²	55.2	68%	0.678	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	8.8	-162.8	63.8	0	0	0	0	116.6	N854	N854-S856 PolarHBondContact O-N 3.05Å
857	L	55.5	Low	63.5	Low	63 Å²	63	52 Å²	52	33%	0.33	27%	0.27	S	S	.	.			trans	-115.2	105.8	-176.4	-71.8	162.4	0	0	0	112.1	K859 S860	L857-K859 HydrophobicContact CB-CB 4.49Å; L857-K859 PolarHBondContact O-N 3.18Å; L857-S860 PolarHBondContact O-N 3.44Å; L857-S860 VanDerWaalsContact O-N 3.12Å; L857-S860 PolarHBondContact O-OG 3.03Å
858	W	57.4	Low	62.1	Low	90 Å²	90	50.7 Å²	50.7	34%	0.341	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-49	-27.6	166.9	-169	-93.6	0	0	0	112.6	I669 D718 S860 R861	I669-W858 HydrophobicContact CB-CZ3 4.14Å; I669-W858 HydrophobicContact CD1-CE3 4.3Å; I669-W858 HydrophobicContact CD1-CZ3 4.1Å; I669-W858 HydrophobicContact CG1-CZ3 3.87Å; I669-W858 HydrophobicContact CG2-CE3 3.89Å; I669-W858 HydrophobicContact CG2-CH2 3.72Å; I669-W858 HydrophobicContact CG2-CZ3 3.26Å; D718-W858 HydrophobicContact CB-CZ2 4.02Å; D718-W858 PolarHBondContact O-NE1 2.86Å; D718-W858 WeakPolarHBondContact OD2-CZ2 3.43Å; W858-S860 VanDerWaalsContact C-N 3.26Å; W858-S860 PolarHBondContact O-N 2.97Å; W858-R861 PolarHBondContact O-N 3.39Å
859	K	55.4	Low	60.5	Low	61 Å²	61	50.7 Å²	50.7	27%	0.265	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-59.6	-28	179	-62.5	-165.5	-176.1	-165.4	0	114.3	P720 N721 Y722 L857 R861	P720-K859 HydrophobicContact CB-CG 4.22Å; N721-K859 VanDerWaalsContact O-CE 3.3Å; N721-K859 WeakPolarHBondContact O-CE 3.44Å; N721-K859 PolarHBondContact O-NZ 3.09Å; Y722-K859 HydrophobicContact CE1-CD 4.48Å; Y722-K859 PolarHBondContact OH-O 2.71Å; L857-K859 HydrophobicContact CB-CB 4.49Å; L857-K859 PolarHBondContact O-N 3.18Å; K859-R861 VanDerWaalsContact C-N 3.28Å; K859-R861 PolarHBondContact O-N 2.94Å
860	S	56.1	Low	58.8	Low	7 Å²	7	49.2 Å²	49.2	5%	0.049	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-80.5	-4.5	-177.2	62.8	0	0	0	0	115.5	R848 S851 L857 W858 L862	R848-S860 WeakPolarHBondContact CG-O 3.29Å; S851-S860 WeakPolarHBondContact CB-OG 3.09Å; S851-S860 WeakPolarHBondContact OG-CB 3.09Å; S851-S860 PolarHBondContact OG-OG 2.99Å; L857-S860 PolarHBondContact O-N 3.44Å; L857-S860 VanDerWaalsContact O-N 3.12Å; L857-S860 PolarHBondContact O-OG 3.03Å; W858-S860 VanDerWaalsContact C-N 3.26Å; W858-S860 PolarHBondContact O-N 2.97Å; S860-L862 VanDerWaalsContact C-N 3.26Å; S860-L862 PolarHBondContact O-N 3.19Å
861	R	68.8	Low	57.3	Low	35 Å²	35	47 Å²	47	13%	0.132	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-94.3	19.3	-167.6	-60.6	166.8	-171.6	-120.8	9.2	112.9	F671 R681 W858 K859	F671-R861 HydrophobicContact CB-CB 3.82Å; F671-R861 VanDerWaalsContact O-CD 3.23Å; F671-R861 WeakPolarHBondContact O-CD 3.3Å; F671-R861 PolarHBondContact O-NH1 2.85Å; R681-R861 WeakPolarHBondContact CB-O 3.06Å; R681-R861 PolarHBondContact N-O 3.24Å; W858-R861 PolarHBondContact O-N 3.39Å; K859-R861 VanDerWaalsContact C-N 3.28Å; K859-R861 PolarHBondContact O-N 2.94Å
862	L	70.9	Confident	56.3	Low	4 Å²	4	48.4 Å²	48.4	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	140.9	177.2	-63	-175.2	0	0	0	111.7	R681 I683 P720 Y722 I844 R848 S860 V864	R681-L862 HydrophobicContact CB-CD2 3.85Å; R681-L862 HydrophobicContact CG-CD2 4.14Å; R681-L862 CarbonylContact O-C 3.15Å; R681-L862 WeakPolarHBondContact O-CA 3.25Å; I683-L862 HydrophobicContact CD1-CD1 3.49Å; I683-L862 VanDerWaalsContact CD1-CD1 3.49Å; I683-L862 HydrophobicContact CD1-CD2 4.35Å; I683-L862 HydrophobicContact CD1-CG 4.43Å; I683-L862 HydrophobicContact CG1-CD1 4.37Å; I683-L862 HydrophobicContact CG2-CD2 4.26Å; P720-L862 HydrophobicContact CB-CD1 4.47Å; P720-L862 HydrophobicContact CG-CD1 3.14Å; P720-L862 HydrophobicContact CG-CD2 4.14Å; P720-L862 HydrophobicContact CG-CG 3.74Å; Y722-L862 HydrophobicContact CE2-CD1 4.37Å; I844-L862 HydrophobicContact CG2-CB 4.39Å; R848-L862 PolarHBondContact NH1-O 3.41Å; S860-L862 VanDerWaalsContact C-N 3.26Å; S860-L862 PolarHBondContact O-N 3.19Å; L862-V864 HydrophobicContact CB-CG2 4.31Å
863	T	66.8	Low	55.6	Low	3 Å²	3	45.6 Å²	45.6	2%	0.018	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.9	148.3	-174.5	0	0	0	0	107.5	N334 E335 L680 R681 R682 I683	N334-T863 HydrophobicContact CB-CG2 3.96Å; E335-T863 WeakPolarHBondContact OE1-CB 3.43Å; E335-T863 PolarHBondContact OE1-OG1 3.09Å; L680-T863 HydrophobicContact CB-CG2 4Å; R681-T863 PolarHBondContact O-N 3.32Å; R681-T863 VanDerWaalsContact O-O 3.14Å; R682-T863 WeakPolarHBondContact CA-O 3.44Å; R682-T863 HydrophobicContact CB-CG2 4.25Å; R682-T863 HydrophobicContact CG-CG2 3.64Å; I683-T863 PolarHBondContact N-O 3.28Å
864	V	66.9	Low	55.4	Low	3 Å²	3	38.6 Å²	38.6	2%	0.018	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	122.5	-173.2	-174.7	0	0	0	0	107.5	I683 M685 M841 I844 L862 A866	I683-V864 HydrophobicContact CD1-CG2 3.94Å; I683-V864 HydrophobicContact CG1-CB 4.28Å; I683-V864 HydrophobicContact CG1-CG1 4.12Å; I683-V864 HydrophobicContact CG1-CG2 3.79Å; I683-V864 WeakPolarHBondContact O-CA 3.34Å; M685-V864 HydrophobicContact CB-CG1 4.21Å; M685-V864 HydrophobicContact CE-CG1 3.99Å; M685-V864 HydrophobicContact CE-CG2 4.3Å; M685-V864 HydrophobicContact CG-CG1 3.77Å; M685-V864 HydrophobicContact SD-CG1 3.95Å; M841-V864 HydrophobicContact CE-CB 3.88Å; M841-V864 HydrophobicContact CE-CG1 4.1Å; M841-V864 HydrophobicContact SD-CB 3.6Å; M841-V864 VanDerWaalsContact SD-CB 3.6Å; M841-V864 HydrophobicContact SD-CG1 3.38Å; M841-V864 WeakPolarHBondContact SD-CG1 3.34Å; M841-V864 HydrophobicContact SD-CG2 4.31Å; I844-V864 HydrophobicContact CD1-CG2 3.78Å; I844-V864 HydrophobicContact CG2-CG2 3.94Å; L862-V864 HydrophobicContact CB-CG2 4.31Å; V864-A866 HydrophobicContact CG1-CB 3.94Å
865	D	62.6	Low	55.6	Low	30 Å²	30	33.7 Å²	33.7	16%	0.16	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	115.3	160.8	178.4	21	0	0	0	107	S197 I683 H684 M685 W867	S197-D865 WeakPolarHBondContact OG-CA 3.34Å; S197-D865 PolarHBondContact OG-OD1 3.2Å; I683-D865 PolarHBondContact O-N 3.32Å; H684-D865 CarbonylContact C-O 3.52Å; H684-D865 VanDerWaalsContact CA-O 3.27Å; H684-D865 WeakPolarHBondContact CA-O 3.44Å; H684-D865 PolarHBondContact CE1-O 2.78Å; H684-D865 IonicContact CE1-OD2 3.03Å; H684-D865 PolarHBondContact CE1-OD2 3.12Å; H684-D865 PolarHBondContact ND1-O 2.87Å; H684-D865 IonicContact ND1-OD2 2.63Å; H684-D865 PolarHBondContact ND1-OD2 3.15Å; M685-D865 PolarHBondContact N-O 2.9Å; D865-W867 WeakPolarHBondContact OD2-CZ3 3.3Å
866	A	55.6	Low	56.2	Low	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	141.1	-174.7	0	0	0	0	0	111	M685 Y833 L837 M841 V864	M685-A866 HydrophobicContact CB-CB 4.09Å; M685-A866 VanDerWaalsContact O-CA 3.28Å; M685-A866 WeakPolarHBondContact O-CA 3.33Å; Y833-A866 HydrophobicContact CE1-CB 4.15Å; Y833-A866 WeakPolarHBondContact CE1-O 3.32Å; L837-A866 HydrophobicContact CD1-CB 4.26Å; L837-A866 HydrophobicContact CD2-CB 4.22Å; L837-A866 HydrophobicContact CG-CB 4.39Å; M841-A866 HydrophobicContact CE-CB 3.86Å; M841-A866 HydrophobicContact CG-CB 4Å; M841-A866 HydrophobicContact SD-CB 3.49Å; M841-A866 WeakPolarHBondContact SD-CB 3.34Å; V864-A866 HydrophobicContact CG1-CB 3.94Å
867	W	57.8	Low	56.9	Low	19 Å²	19	24.8 Å²	24.8	7%	0.072	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	162.9	165.1	54.9	71.8	0	0	0	110	P196 H684 M685 Q686 H687 Y745 L837 D865	P196-W867 HydrophobicContact CB-CE3 3.5Å; P196-W867 VanDerWaalsContact CB-CE3 3.5Å; P196-W867 HydrophobicContact CB-CZ3 3.78Å; P196-W867 HydrophobicContact CG-CE3 3.75Å; P196-W867 HydrophobicContact CG-CZ3 3.74Å; H684-W867 AromaticContact CD2-CZ2 3.92Å; H684-W867 AromaticContact CE1-CD2 3.36Å; H684-W867 AromaticContact CE1-CE2 3.25Å; H684-W867 AromaticContact CE1-CE3 3.2Å; H684-W867 AromaticContact CE1-CH2 2.91Å; H684-W867 WeakPolarHBondContact CE1-CH2 3.29Å; H684-W867 AromaticContact CE1-CZ2 3.02Å; H684-W867 WeakPolarHBondContact CE1-CZ2 3.46Å; H684-W867 AromaticContact CE1-CZ3 3Å; H684-W867 WeakPolarHBondContact CE1-CZ3 3.36Å; H684-W867 AromaticContact ND1-CH2 3.38Å; H684-W867 WeakPolarHBondContact ND1-CH2 3.44Å; H684-W867 AromaticContact ND1-CZ2 3.8Å; H684-W867 AromaticContact ND1-CZ3 3.59Å; H684-W867 AromaticContact NE2-CD2 3.59Å; H684-W867 AromaticContact NE2-CE2 3.11Å; H684-W867 AromaticContact NE2-CE3 3.93Å; H684-W867 AromaticContact NE2-CH2 3.49Å; H684-W867 WeakPolarHBondContact NE2-CH2 2.99Å; H684-W867 AromaticContact NE2-CZ2 3.04Å; H684-W867 WeakPolarHBondContact NE2-CZ2 3.11Å; H684-W867 AromaticContact NE2-CZ3 3.9Å; H684-W867 AromaticContact NE2-NE1 3.63Å; M685-W867 PolarHBondContact O-N 2.8Å; Q686-W867 VanDerWaalsContact CA-O 3.31Å; Q686-W867 WeakPolarHBondContact CA-O 3.19Å; Q686-W867 VanDerWaalsContact CD-NE1 3.3Å; H687-W867 PolarHBondContact N-O 3Å; H687-W867 VanDerWaalsContact N-O 3.12Å; Y745-W867 VanDerWaalsContact CB-CZ2 3.45Å; Y745-W867 AromaticContact CD1-CH2 3.76Å; Y745-W867 HydrophobicContact CD1-CH2 3.76Å; Y745-W867 HydrophobicContact CD1-CZ2 4.1Å; Y745-W867 HydrophobicContact CD2-CH2 4.47Å; Y745-W867 HydrophobicContact CD2-CZ2 4.16Å; Y745-W867 HydrophobicContact CE1-CH2 4.41Å; Y745-W867 AromaticContact CG-CH2 3.81Å; Y745-W867 HydrophobicContact CG-CH2 3.81Å; Y745-W867 AromaticContact CG-CZ2 3.65Å; Y745-W867 HydrophobicContact CG-CZ2 3.65Å; L837-W867 WeakPolarHBondContact CD2-O 3.47Å; D865-W867 WeakPolarHBondContact OD2-CZ3 3.3Å
868	N	50.5	Low	57.3	Low	6 Å²	6	22.9 Å²	22.9	3%	0.032	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	155.4	156.2	-36.2	-36.6	0	0	0	108.2	H687 L765 R832 S834 L837 D870 V871	H687-N868 HydrophobicContact CB-CB 4.17Å; H687-N868 CarbonylContact O-C 3.57Å; H687-N868 WeakPolarHBondContact O-CA 3.36Å; H687-N868 WeakPolarHBondContact O-CB 3.46Å; L765-N868 HydrophobicContact CD1-CB 4.49Å; L765-N868 HydrophobicContact CD2-CB 3.84Å; R832-N868 PolarHBondContact O-ND2 3.33Å; S834-N868 VanDerWaalsContact N-CG 3.35Å; S834-N868 PolarHBondContact N-ND2 2.86Å; S834-N868 PolarHBondContact N-OD1 3.42Å; S834-N868 PolarHBondContact OG-OD1 2.84Å; L837-N868 WeakPolarHBondContact CD2-OD1 3.45Å; N868-D870 HydrophobicContact CB-CB 4.41Å; N868-D870 PolarHBondContact O-N 2.84Å; N868-D870 VanDerWaalsContact O-N 3.15Å; N868-V871 HydrophobicContact CB-CB 4.45Å; N868-V871 HydrophobicContact CB-CG2 3.63Å; N868-V871 VanDerWaalsContact O-CB 3.29Å; N868-V871 WeakPolarHBondContact O-CB 3.48Å; N868-V871 PolarHBondContact O-N 3.28Å
869	S	46.1	Very low	57.7	Low	7 Å²	7	18.9 Å²	18.9	5%	0.049	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-51.7	-33.6	162	59.5	0	0	0	0	110.8	H687 F688 V871 Y874	H687-S869 PolarHBondContact O-N 3.24Å; H687-S869 PolarHBondContact O-OG 2.86Å; F688-S869 VanDerWaalsContact CA-OG 3.24Å; F688-S869 WeakPolarHBondContact CA-OG 3.4Å; F688-S869 WeakPolarHBondContact CB-OG 3.22Å; S869-V871 PolarHBondContact O-N 2.88Å; S869-Y874 WeakPolarHBondContact O-CA 2.96Å; S869-Y874 WeakPolarHBondContact O-CB 3.46Å; S869-Y874 PolarHBondContact O-N 3.42Å
870	D	40.9	Very low	58.1	Low	45 Å²	45	19.8 Å²	19.8	24%	0.241	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-79.5	-3.8	-176.6	-65	9.5	0	0	0	112.9	L765 N868	L765-D870 WeakPolarHBondContact CB-OD2 3.5Å; L765-D870 HydrophobicContact CD1-CB 4.39Å; L765-D870 WeakPolarHBondContact CD1-OD2 3.17Å; N868-D870 HydrophobicContact CB-CB 4.41Å; N868-D870 PolarHBondContact O-N 2.84Å; N868-D870 VanDerWaalsContact O-N 3.15Å
871	V	42.4	Very low	58.1	Low	5 Å²	5	20.7 Å²	20.7	3%	0.03	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-81.8	-14.7	-174.7	174.3	0	0	0	0	114.5	L831 R832 N868 S869	L831-V871 VanDerWaalsContact CA-CG1 3.46Å; L831-V871 HydrophobicContact CB-CG1 4.05Å; L831-V871 HydrophobicContact CD2-CG1 3.71Å; L831-V871 HydrophobicContact CG-CG1 3.75Å; R832-V871 HydrophobicContact CB-CG2 4.26Å; R832-V871 VanDerWaalsContact N-CG1 3.27Å; R832-V871 WeakPolarHBondContact O-CG2 3.12Å; N868-V871 HydrophobicContact CB-CB 4.45Å; N868-V871 HydrophobicContact CB-CG2 3.63Å; N868-V871 VanDerWaalsContact O-CB 3.29Å; N868-V871 WeakPolarHBondContact O-CB 3.48Å; N868-V871 PolarHBondContact O-N 3.28Å; S869-V871 PolarHBondContact O-N 2.88Å
872	K	49.1	Very low	57.1	Low	37 Å²	37	22.8 Å²	22.8	16%	0.161	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-142.4	41.7	170.1	-79.6	-174.8	172.8	-119.7	0	109.8	P98 S99 H788 Y874	P98-K872 VanDerWaalsContact C-NZ 3.33Å; P98-K872 VanDerWaalsContact CB-NZ 3.26Å; P98-K872 PolarHBondContact O-NZ 2.96Å; S99-K872 PolarHBondContact O-NZ 3.39Å; H788-K872 WeakPolarHBondContact CB-O 3.44Å; K872-Y874 PolarHBondContact O-N 3.09Å
873	C	48.2	Very low	55.6	Low	19 Å²	19	33.9 Å²	33.9	13%	0.128	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	52.5	178.7	-96.2	0	0	0	0	107.7	Y770 S786 D787 H788 S875	Y770-C873 WeakPolarHBondContact CD2-SG 3.41Å; S786-C873 CarbonylContact C-O 3.29Å; S786-C873 WeakPolarHBondContact CB-O 3.49Å; S786-C873 PolarHBondContact OG-O 3.49Å; D787-C873 HydrophobicContact CB-CB 3.99Å; H788-C873 CarbonylContact C-O 3.5Å; H788-C873 PolarHBondContact N-O 3.21Å; C873-S875 PolarHBondContact O-N 3.14Å
874	Y	54.8	Low	54.7	Low	18 Å²	18	35.1 Å²	35.1	7%	0.071	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	103.6	-175.8	-178.2	-91.1	0	0	0	107.6	P743 Y744 Y745 H788 C790 S869 K872 W876	P743-Y874 HydrophobicContact CB-CE1 3.87Å; Y744-Y874 PolarHBondContact O-OH 2.66Å; Y745-Y874 HydrophobicContact CD2-CD2 4.3Å; Y745-Y874 AromaticContact CD2-CE2 4Å; Y745-Y874 HydrophobicContact CD2-CE2 4Å; H788-Y874 HydrophobicContact CB-CD2 4.33Å; H788-Y874 AromaticContact CE1-CD2 3.73Å; H788-Y874 AromaticContact CE1-CE2 3.54Å; H788-Y874 AromaticContact CG-CD2 3.89Å; H788-Y874 AromaticContact ND1-CD2 3.09Å; H788-Y874 WeakPolarHBondContact ND1-CD2 3.2Å; H788-Y874 AromaticContact ND1-CE2 3.29Å; H788-Y874 VanDerWaalsContact ND1-CE2 3.29Å; H788-Y874 WeakPolarHBondContact ND1-CE2 3.37Å; H788-Y874 CarbonylContact O-C 3.58Å; H788-Y874 WeakPolarHBondContact O-CA 3.47Å; C790-Y874 HydrophobicContact CB-CE2 4.33Å; C790-Y874 VanDerWaalsContact CB-OH 3.31Å; C790-Y874 WeakPolarHBondContact CB-OH 3.45Å; C790-Y874 VanDerWaalsContact SG-CE2 3.57Å; C790-Y874 PolarHBondContact SG-OH 3.35Å; S869-Y874 WeakPolarHBondContact O-CA 2.96Å; S869-Y874 WeakPolarHBondContact O-CB 3.46Å; S869-Y874 PolarHBondContact O-N 3.42Å; K872-Y874 PolarHBondContact O-N 3.09Å; Y874-W876 HydrophobicContact CD1-CB 4.4Å; Y874-W876 HydrophobicContact CE1-CB 3.79Å
875	S	59.4	Low	53.8	Low	2 Å²	2	42.9 Å²	42.9	1%	0.014	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	127	172.5	-75.1	0	0	0	0	108.4	T772 S786 H788 M789 C790 C873	T772-S875 WeakPolarHBondContact CG2-OG 3.14Å; T772-S875 WeakPolarHBondContact OG1-CB 3.39Å; T772-S875 PolarHBondContact OG1-OG 2.83Å; S786-S875 WeakPolarHBondContact CB-OG 3.47Å; S786-S875 PolarHBondContact N-OG 2.98Å; S786-S875 WeakPolarHBondContact OG-CB 3.09Å; S786-S875 PolarHBondContact OG-N 2.89Å; S786-S875 PolarHBondContact OG-OG 3.1Å; H788-S875 PolarHBondContact O-N 3.22Å; M789-S875 CarbonylContact C-O 3.42Å; M789-S875 VanDerWaalsContact CA-O 3.28Å; M789-S875 WeakPolarHBondContact CA-O 3.25Å; C790-S875 PolarHBondContact N-O 2.93Å; C873-S875 PolarHBondContact O-N 3.14Å
876	W	63.8	Low	53.2	Low	54 Å²	54	44.3 Å²	44.3	21%	0.205	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123.1	167	179.4	90	0	0	0	108	D741 L742 P743 C790 F792 Y874 Q878	D741-W876 VanDerWaalsContact C-CH2 3.46Å; D741-W876 HydrophobicContact CB-CH2 3.85Å; L742-W876 PolarHBondContact O-NE1 3.33Å; L742-W876 VanDerWaalsContact O-NE1 3.13Å; P743-W876 VanDerWaalsContact CA-CD1 3.48Å; P743-W876 HydrophobicContact CB-CB 3.94Å; P743-W876 HydrophobicContact CB-CG 3.94Å; C790-W876 WeakPolarHBondContact O-CA 3.48Å; F792-W876 AromaticContact CD2-CD1 3.57Å; F792-W876 AromaticContact CD2-CE2 3.96Å; F792-W876 AromaticContact CD2-NE1 3.12Å; F792-W876 AromaticContact CE2-CD1 3.34Å; F792-W876 AromaticContact CE2-NE1 3.13Å; Y874-W876 HydrophobicContact CD1-CB 4.4Å; Y874-W876 HydrophobicContact CE1-CB 3.79Å; W876-Q878 HydrophobicContact CE3-CB 4.47Å; W876-Q878 HydrophobicContact CH2-CB 3.21Å; W876-Q878 HydrophobicContact CH2-CG 4.11Å; W876-Q878 HydrophobicContact CZ2-CB 3.62Å; W876-Q878 HydrophobicContact CZ2-CG 4.38Å; W876-Q878 HydrophobicContact CZ3-CB 3.71Å
877	V	65.2	Low	53.1	Low	13 Å²	13	45.6 Å²	45.6	8%	0.079	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	114.3	-176.4	-175.1	0	0	0	0	108.4	T772 L774 V783 M789 C790 F792 I879	T772-V877 HydrophobicContact CG2-CG2 3.46Å; T772-V877 VanDerWaalsContact CG2-CG2 3.46Å; L774-V877 HydrophobicContact CD1-CG1 4.16Å; V783-V877 HydrophobicContact CG1-CB 4.31Å; V783-V877 HydrophobicContact CG1-CG1 4.3Å; V783-V877 HydrophobicContact CG1-CG2 3.76Å; V783-V877 HydrophobicContact CG2-CG1 4.17Å; M789-V877 HydrophobicContact SD-CG2 4.42Å; C790-V877 PolarHBondContact O-N 2.8Å; C790-V877 VanDerWaalsContact O-N 3.07Å; F792-V877 PolarHBondContact N-O 2.82Å; V877-I879 HydrophobicContact CG1-CD1 4.06Å; V877-I879 HydrophobicContact CG1-CG1 3.92Å
878	Q	64.8	Low	52.8	Low	22 Å²	22	46.4 Å²	46.4	10%	0.103	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.8	170.4	-175.7	157.1	-11	0	0	110.2	T738 D741 F792 W876 Y880	T738-Q878 PolarHBondContact O-NE2 3.42Å; T738-Q878 PolarHBondContact O-OE1 3.34Å; D741-Q878 PolarHBondContact OD1-NE2 3.28Å; D741-Q878 PolarHBondContact OD1-OE1 2.81Å; D741-Q878 VanDerWaalsContact OD1-OE1 3.08Å; F792-Q878 HydrophobicContact CB-CG 4.49Å; F792-Q878 WeakPolarHBondContact O-CA 3.27Å; W876-Q878 HydrophobicContact CE3-CB 4.47Å; W876-Q878 HydrophobicContact CH2-CB 3.21Å; W876-Q878 HydrophobicContact CH2-CG 4.11Å; W876-Q878 HydrophobicContact CZ2-CB 3.62Å; W876-Q878 HydrophobicContact CZ2-CG 4.38Å; W876-Q878 HydrophobicContact CZ3-CB 3.71Å; Q878-Y880 HydrophobicContact CG-CD2 4.28Å; Q878-Y880 HydrophobicContact CG-CE1 4.39Å; Q878-Y880 HydrophobicContact CG-CE2 3.73Å; Q878-Y880 PolarHBondContact NE2-OH 2.9Å
879	I	65.9	Low	53	Low	7 Å²	7	46.3 Å²	46.3	4%	0.036	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.5	-176.5	-63.4	151.6	0	0	0	109	L774 V781 V783 V791 F792 I793 T794 V877 P881 F889	L774-I879 HydrophobicContact CD1-CD1 4.21Å; L774-I879 HydrophobicContact CD1-CG1 4.19Å; V781-I879 HydrophobicContact CG1-CD1 3.63Å; V781-I879 HydrophobicContact CG1-CG1 4.31Å; V781-I879 HydrophobicContact CG2-CG2 4.36Å; V783-I879 HydrophobicContact CG2-CD1 4.04Å; V791-I879 HydrophobicContact CG1-CD1 4.15Å; F792-I879 PolarHBondContact O-N 3.36Å; I793-I879 HydrophobicContact CG1-CD1 4.36Å; T794-I879 PolarHBondContact N-O 3.39Å; V877-I879 HydrophobicContact CG1-CD1 4.06Å; V877-I879 HydrophobicContact CG1-CG1 3.92Å; I879-P881 HydrophobicContact CG2-CG 4.2Å; I879-F889 HydrophobicContact CD1-CD2 4.16Å; I879-F889 HydrophobicContact CD1-CE2 3.54Å
880	Y	63.9	Low	53.4	Low	80 Å²	80	49.4 Å²	49.4	31%	0.314	25%	0.247	S	C	.	.			trans	-113.2	89	174.2	-67.4	-66.6	0	0	0	107.8	S737 D741 F796 Q878	S737-Y880 WeakPolarHBondContact CA-OH 3.49Å; S737-Y880 WeakPolarHBondContact CB-OH 3.23Å; D741-Y880 WeakPolarHBondContact OD1-CE2 2.83Å; D741-Y880 PolarHBondContact OD1-OH 3.21Å; F796-Y880 AromaticContact CE2-CD1 3.51Å; F796-Y880 HydrophobicContact CE2-CD1 3.51Å; F796-Y880 HydrophobicContact CE2-CG 4.05Å; F796-Y880 AromaticContact CZ-CD1 3.87Å; F796-Y880 HydrophobicContact CZ-CD1 3.87Å; F796-Y880 HydrophobicContact CZ-CG 4.49Å; Q878-Y880 HydrophobicContact CG-CD2 4.28Å; Q878-Y880 HydrophobicContact CG-CE1 4.39Å; Q878-Y880 HydrophobicContact CG-CE2 3.73Å; Q878-Y880 PolarHBondContact NE2-OH 2.9Å
881	P	55.1	Low	53.9	Low	25 Å²	25	47.9 Å²	47.9	16%	0.162	24%	0.242	C	C	.	.			trans	-65.1	129.1	-172.8	-13.6	25.9	0	0	0	110.9	T794 I879 F887	T794-P881 WeakPolarHBondContact O-CD 3.43Å; I879-P881 HydrophobicContact CG2-CG 4.2Å; P881-F887 HydrophobicContact CB-CD1 4.31Å; P881-F887 HydrophobicContact CB-CD2 3.74Å; P881-F887 HydrophobicContact CB-CE1 3.94Å; P881-F887 HydrophobicContact CB-CE2 3.31Å; P881-F887 HydrophobicContact CB-CG 4.24Å; P881-F887 HydrophobicContact CB-CZ 3.43Å; P881-F887 VanDerWaalsContact CB-CZ 3.43Å; P881-F887 HydrophobicContact CG-CD2 4.37Å; P881-F887 HydrophobicContact CG-CE2 4.36Å
882	P	48.8	Very low	53.9	Low	80 Å²	80	56.5 Å²	56.5	52%	0.519	28%	0.281	S	S	.	.			trans	-70.2	160.1	177.2	28	-33.4	0	0	0	111.9	G884 F887	P882-G884 PolarHBondContact O-N 3.1Å; P882-F887 WeakPolarHBondContact O-CZ 3.15Å
883	Y	39.6	Very low	54.1	Low	236 Å²	236	57.5 Å²	57.5	93%	0.925	29%	0.287	S	S	*	.	S	Bend	trans	-37.7	113.4	177.6	-55.3	-85.9	0	0	0	114
884	G	47	Very low	54.4	Low	29 Å²	29	59.5 Å²	59.5	30%	0.299	30%	0.296	S	S	.	.	S	Bend	trans	158	119.4	168.9	0	0	0	0	0	118.6	K779 W799 P882 V886	K779-G884 WeakPolarHBondContact CE-O 3.28Å; W799-G884 WeakPolarHBondContact CH2-O 3.29Å; W799-G884 WeakPolarHBondContact CZ3-O 3.45Å; P882-G884 PolarHBondContact O-N 3.1Å; G884-V886 PolarHBondContact O-N 3.3Å
885	E	48	Very low	54.4	Low	167 Å²	167	61.8 Å²	61.8	78%	0.78	31%	0.308	S	S	*	.	S	Bend	trans	-46.4	-11.9	-138.7	-71.8	-177.8	163.1	0	0	124.1	W799	W799-E885 HydrophobicContact CH2-CB 4.36Å; W799-E885 HydrophobicContact CH2-CG 4.42Å; W799-E885 HydrophobicContact CZ3-CB 4.45Å; W799-E885 VanDerWaalsContact CZ3-N 3.3Å; W799-E885 WeakPolarHBondContact CZ3-O 3.36Å
886	V	51.2	Low	54.1	Low	59 Å²	59	65.3 Å²	65.3	36%	0.358	33%	0.325	S	S	.	.			trans	-160	146.3	-172.2	174.8	0	0	0	0	111.1	K779 L802 G884	K779-V886 WeakPolarHBondContact CB-O 3.39Å; K779-V886 HydrophobicContact CD-CB 4.38Å; K779-V886 WeakPolarHBondContact CD-O 3.26Å; K779-V886 WeakPolarHBondContact CE-O 3.42Å; K779-V886 WeakPolarHBondContact CG-O 3.3Å; L802-V886 HydrophobicContact CD1-CB 4.49Å; L802-V886 HydrophobicContact CD1-CG1 3.11Å; L802-V886 HydrophobicContact CG-CG1 3.78Å; G884-V886 PolarHBondContact O-N 3.3Å
887	F	52.3	Low	53.5	Low	27 Å²	27	66 Å²	66	12%	0.118	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	148.4	171.5	-67	-90.1	0	0	0	114.6	K779 W799 P881 P882	K779-F887 HydrophobicContact CB-CD1 4.17Å; K779-F887 CarbonylContact O-C 3.43Å; K779-F887 VanDerWaalsContact O-CA 3.29Å; K779-F887 WeakPolarHBondContact O-CA 2.89Å; W799-F887 HydrophobicContact CE3-CD2 4.48Å; W799-F887 HydrophobicContact CE3-CE2 4.27Å; W799-F887 HydrophobicContact CZ3-CE2 4.2Å; P881-F887 HydrophobicContact CB-CD1 4.31Å; P881-F887 HydrophobicContact CB-CD2 3.74Å; P881-F887 HydrophobicContact CB-CE1 3.94Å; P881-F887 HydrophobicContact CB-CE2 3.31Å; P881-F887 HydrophobicContact CB-CG 4.24Å; P881-F887 HydrophobicContact CB-CZ 3.43Å; P881-F887 VanDerWaalsContact CB-CZ 3.43Å; P881-F887 HydrophobicContact CG-CD2 4.37Å; P881-F887 HydrophobicContact CG-CE2 4.36Å; P882-F887 WeakPolarHBondContact O-CZ 3.15Å
888	S	52.4	Low	52.7	Low	36 Å²	36	69.5 Å²	69.5	25%	0.252	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	135.5	169.4	169.2	0	0	0	0	108.9	K779 K780 V781	K779-S888 PolarHBondContact O-N 3.06Å; K780-S888 WeakPolarHBondContact CA-O 3.41Å; V781-S888 PolarHBondContact N-O 2.85Å; V781-S888 VanDerWaalsContact N-O 3.16Å
889	F	53.4	Low	51.9	Low	5 Å²	5	72.9 Å²	72.9	2%	0.022	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.7	-177.2	-179.1	-85	0	0	0	111.2	V781 V783 V791 I793 L801 N803 W804 S805 F806 I879 A891	V781-F889 HydrophobicContact CB-CD2 3.79Å; V781-F889 HydrophobicContact CB-CE2 4.16Å; V781-F889 HydrophobicContact CG1-CD2 4.08Å; V781-F889 HydrophobicContact CG1-CE2 3.94Å; V783-F889 HydrophobicContact CB-CZ 4.22Å; V783-F889 HydrophobicContact CG2-CE2 3.6Å; V783-F889 HydrophobicContact CG2-CZ 3.61Å; V791-F889 HydrophobicContact CG1-CE2 4.03Å; V791-F889 HydrophobicContact CG1-CZ 3.76Å; I793-F889 HydrophobicContact CD1-CB 4.28Å; I793-F889 HydrophobicContact CD1-CD1 4.2Å; I793-F889 HydrophobicContact CD1-CD2 3.52Å; I793-F889 HydrophobicContact CD1-CE2 3.9Å; I793-F889 HydrophobicContact CD1-CG 3.71Å; I793-F889 HydrophobicContact CD1-CZ 4.4Å; I793-F889 HydrophobicContact CG1-CD2 4.46Å; L801-F889 HydrophobicContact CD1-CB 4.07Å; N803-F889 PolarHBondContact O-N 3.41Å; W804-F889 CarbonylContact C-O 3.39Å; W804-F889 WeakPolarHBondContact CA-O 3.43Å; W804-F889 HydrophobicContact CB-CB 4.11Å; W804-F889 HydrophobicContact CB-CD1 4.16Å; S805-F889 PolarHBondContact N-O 3.18Å; S805-F889 VanDerWaalsContact N-O 3.07Å; F806-F889 HydrophobicContact CD2-CD1 4.42Å; F806-F889 HydrophobicContact CD2-CE1 4.05Å; F806-F889 HydrophobicContact CE2-CD1 4.26Å; F806-F889 AromaticContact CE2-CE1 3.46Å; F806-F889 HydrophobicContact CE2-CE1 3.46Å; F806-F889 VanDerWaalsContact CE2-CE1 3.46Å; F806-F889 HydrophobicContact CE2-CZ 4.31Å; F806-F889 HydrophobicContact CZ-CE1 4.34Å; I879-F889 HydrophobicContact CD1-CD2 4.16Å; I879-F889 HydrophobicContact CD1-CE2 3.54Å; F889-A891 HydrophobicContact CE1-CB 3.61Å; F889-A891 HydrophobicContact CZ-CB 4.03Å
890	N	54.8	Low	50.8	Low	71 Å²	71	78 Å²	78	38%	0.38	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	104.1	175.3	-82.7	-15.7	0	0	0	108.6	V781 L782	V781-N890 CarbonylContact O-C 3.5Å; V781-N890 PolarHBondContact O-N 3.43Å; V781-N890 VanDerWaalsContact O-O 3.14Å; L782-N890 VanDerWaalsContact CA-O 3.23Å; L782-N890 WeakPolarHBondContact CA-O 3.15Å; L782-N890 WeakPolarHBondContact CD1-O 3.37Å
891	A	51.8	Low	49.7	Very low	14 Å²	14	77.8 Å²	77.8	12%	0.116	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	144	165.1	0	0	0	0	0	110.6	S805 F806 F889	S805-A891 PolarHBondContact OG-N 3.08Å; S805-A891 PolarHBondContact OG-O 3.1Å; F806-A891 HydrophobicContact CD2-CB 4.46Å; F806-A891 HydrophobicContact CE1-CB 3.72Å; F806-A891 HydrophobicContact CE2-CB 3.51Å; F806-A891 HydrophobicContact CZ-CB 3.06Å; F889-A891 HydrophobicContact CE1-CB 3.61Å; F889-A891 HydrophobicContact CZ-CB 4.03Å
892	Q	42.1	Very low	49.2	Very low	185 Å²	185	82.6 Å²	82.6	86%	0.864	42%	0.421	S	S	*	.			trans	-113	0	171.2	-83.3	-174.1	-30.3	0	0	110.7	L782 V783	L782-Q892 HydrophobicContact CD1-CB 3.86Å; L782-Q892 HydrophobicContact CD1-CG 3.65Å; V783-Q892 PolarHBondContact O-N 3.28Å; V783-Q892 VanDerWaalsContact O-N 3.11Å

Retrieved 892 of 892 residues in 2697.4 ms (Link to these results)

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